diff --git a/docs/source/test_scipp_jda.ipynb b/docs/source/test_scipp_jda.ipynb new file mode 100644 index 0000000..3c2e828 --- /dev/null +++ b/docs/source/test_scipp_jda.ipynb @@ -0,0 +1,69963 @@ +{ + "cells": [ + { + "cell_type": "code", + "execution_count": 1, + "metadata": {}, + "outputs": [], + "source": [ + "from kinisi.diffusion_analyzer import DiffusionAnalyzer \n", + "from pymatgen.io.vasp import Xdatcar\n", + "import scipp as sc" + ] + }, + { + "cell_type": "code", + "execution_count": 2, + "metadata": {}, + "outputs": [], + "source": [ + "from kinisi.jump_diffusion_analyzer import JumpDiffusionAnalyzer\n", + "from pymatgen.io.vasp import Xdatcar\n", + "import scipp as sc" + ] + }, + { + "cell_type": "code", + "execution_count": 3, + "metadata": {}, + "outputs": [], + "source": [ + "xd = Xdatcar('./example_XDATCAR.gz')" + ] + }, + { + "cell_type": "code", + "execution_count": 4, + "metadata": {}, + "outputs": [], + "source": [ + "time_step1 = 2.0 * sc.Unit('fs')\n", + "step_skip1 = 50 * sc.Unit('dimensionless')" + ] + }, + { + "cell_type": "code", + "execution_count": 5, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "[Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.2291, 2.917, 6.938) [0.01128, 0.1436, 0.3416]\n", + " PeriodicSite: Li (0.923, 3.334, 16.22) [0.04544, 0.1642, 0.7984]\n", + " PeriodicSite: Li (2.939, 13.17, 9.91) [0.1447, 0.6484, 0.4879]\n", + " PeriodicSite: Li (1.083, 14.96, 17.46) [0.05332, 0.7363, 0.8597]\n", + " PeriodicSite: Li (14.4, 0.4869, 7.404) [0.7091, 0.02396, 0.3645]\n", + " PeriodicSite: Li (11.78, 3.99, 15.83) [0.58, 0.1964, 0.7796]\n", + " PeriodicSite: Li (15.49, 11.63, 3.245) [0.7627, 0.5728, 0.1597]\n", + " PeriodicSite: Li (15.17, 9.834, 17.46) [0.7469, 0.4841, 0.8598]\n", + " PeriodicSite: Li (3.04, 4.701, 8.118) [0.1497, 0.2314, 0.3997]\n", + " PeriodicSite: Li (3.785, 0.6306, 17.45) [0.1864, 0.03104, 0.8593]\n", + " PeriodicSite: Li (6.192, 9.924, 7.23) [0.3048, 0.4885, 0.3559]\n", + " PeriodicSite: Li (5.511, 11.23, 13.46) [0.2713, 0.5531, 0.6626]\n", + " PeriodicSite: Li (12.1, 4.105, 6.554) [0.5959, 0.2021, 0.3227]\n", + " PeriodicSite: Li (15.17, 6.27, 18.52) [0.7468, 0.3087, 0.9119]\n", + " PeriodicSite: Li (10.37, 8.023, 11.85) [0.5105, 0.395, 0.5834]\n", + " PeriodicSite: Li (11.91, 14.65, 17.08) [0.5864, 0.7211, 0.8408]\n", + " PeriodicSite: Li (2.847, 0.7829, 5.995) [0.1402, 0.03854, 0.2951]\n", + " PeriodicSite: Li (3.756, 2.315, 15.44) [0.1849, 0.1139, 0.7601]\n", + " PeriodicSite: Li (3.523, 11.14, 5.596) [0.1734, 0.5483, 0.2755]\n", + " PeriodicSite: Li (6.546, 11.49, 16.31) [0.3223, 0.5658, 0.8032]\n", + " PeriodicSite: Li (12.05, 0.6686, 9.933) [0.5932, 0.03291, 0.489]\n", + " PeriodicSite: Li (10.44, 2.461, 18.5) [0.514, 0.1212, 0.9109]\n", + " PeriodicSite: Li (13.65, 13.15, 9.425) [0.6718, 0.6473, 0.464]\n", + " PeriodicSite: Li (10.89, 12.04, 19.05) [0.536, 0.5925, 0.9381]\n", + " PeriodicSite: Li (0.7638, 1.948, 9.703) [0.0376, 0.09593, 0.4777]\n", + " PeriodicSite: Li (3.399, 3.64, 0.04713) [0.1673, 0.1792, 0.002322]\n", + " PeriodicSite: Li (0.5241, 13.23, 7.531) [0.0258, 0.6512, 0.3708]\n", + " PeriodicSite: Li (4.463, 13.63, 19.05) [0.2197, 0.6708, 0.9377]\n", + " PeriodicSite: Li (13.72, 1.721, 5.37) [0.6756, 0.08472, 0.2644]\n", + " PeriodicSite: Li (13.56, 0.4042, 17.28) [0.6674, 0.0199, 0.8507]\n", + " PeriodicSite: Li (10.23, 11.52, 8.553) [0.5037, 0.5671, 0.4211]\n", + " PeriodicSite: Li (14.9, 15.66, 18.56) [0.7334, 0.7708, 0.9136]\n", + " PeriodicSite: Li (5.802, 2.003, 6.612) [0.2856, 0.09863, 0.3255]\n", + " PeriodicSite: Li (0.6129, 1.635, 19.02) [0.03018, 0.08051, 0.9366]\n", + " PeriodicSite: Li (5.099, 13.48, 8.333) [0.251, 0.6637, 0.4103]\n", + " PeriodicSite: Li (1.453, 18.06, 15.2) [0.07155, 0.8891, 0.7481]\n", + " PeriodicSite: Li (14.85, 3.86, 8.121) [0.7312, 0.19, 0.3998]\n", + " PeriodicSite: Li (13.16, 3.543, 20.17) [0.6479, 0.1744, 0.9927]\n", + " PeriodicSite: Li (17.0, 15.47, 8.479) [0.837, 0.7614, 0.4175]\n", + " PeriodicSite: Li (13.9, 13.38, 20.27) [0.6841, 0.6586, 0.9981]\n", + " PeriodicSite: Li (5.184, 1.643, 3.541) [0.2552, 0.08089, 0.1744]\n", + " PeriodicSite: Li (5.341, 3.542, 18.18) [0.2629, 0.1744, 0.8952]\n", + " PeriodicSite: Li (2.119, 13.89, 5.516) [0.1043, 0.6839, 0.2716]\n", + " PeriodicSite: Li (20.12, 12.98, 2.783) [0.9905, 0.639, 0.137]\n", + " PeriodicSite: Li (10.69, 1.75, 7.506) [0.5261, 0.08617, 0.3695]\n", + " PeriodicSite: Li (17.57, 20.21, 16.63) [0.8652, 0.9948, 0.8187]\n", + " PeriodicSite: Li (15.14, 12.01, 6.42) [0.7456, 0.5912, 0.3161]\n", + " PeriodicSite: Li (13.12, 11.57, 15.86) [0.646, 0.5698, 0.7809]\n", + " PeriodicSite: Li (2.385, 10.54, 17.99) [0.1174, 0.519, 0.8858]\n", + " PeriodicSite: Li (2.082, 10.58, 7.947) [0.1025, 0.5207, 0.3913]\n", + " PeriodicSite: Li (4.67, 16.67, 18.25) [0.2299, 0.8208, 0.8984]\n", + " PeriodicSite: Li (1.923, 18.28, 10.39) [0.09465, 0.8999, 0.5114]\n", + " PeriodicSite: Li (14.29, 6.595, 0.9937) [0.7037, 0.3247, 0.04892]\n", + " PeriodicSite: Li (14.18, 8.02, 14.5) [0.6982, 0.3948, 0.7137]\n", + " PeriodicSite: Li (12.3, 14.91, 7.375) [0.6053, 0.7339, 0.3631]\n", + " PeriodicSite: Li (13.66, 18.17, 14.51) [0.6723, 0.8946, 0.7142]\n", + " PeriodicSite: Li (4.118, 5.468, 2.094) [0.2027, 0.2692, 0.1031]\n", + " PeriodicSite: Li (3.373, 3.904, 11.14) [0.166, 0.1922, 0.5483]\n", + " PeriodicSite: Li (5.185, 17.33, 1.576) [0.2552, 0.8533, 0.0776]\n", + " PeriodicSite: Li (4.052, 18.11, 14.6) [0.1995, 0.8917, 0.7188]\n", + " PeriodicSite: Li (17.42, 6.717, 0.07678) [0.8575, 0.3307, 0.003785]\n", + " PeriodicSite: Li (12.89, 5.344, 11.95) [0.6347, 0.2631, 0.5884]\n", + " PeriodicSite: Li (13.06, 18.6, 4.731) [0.6427, 0.9156, 0.2329]\n", + " PeriodicSite: Li (10.68, 17.57, 14.04) [0.5259, 0.8652, 0.6912]\n", + " PeriodicSite: Li (1.611, 8.405, 0.5655) [0.07929, 0.4138, 0.02784]\n", + " PeriodicSite: Li (4.491, 6.997, 11.01) [0.2211, 0.3445, 0.5421]\n", + " PeriodicSite: Li (3.069, 15.73, 0.819) [0.1511, 0.7745, 0.04032]\n", + " PeriodicSite: Li (3.585, 15.46, 12.23) [0.1765, 0.761, 0.6021]\n", + " PeriodicSite: Li (12.12, 8.737, 0.5978) [0.5967, 0.4301, 0.02944]\n", + " PeriodicSite: Li (11.18, 7.159, 14.64) [0.5503, 0.3524, 0.7208]\n", + " PeriodicSite: Li (12.25, 15.32, 2.848) [0.603, 0.7544, 0.1402]\n", + " PeriodicSite: Li (13.87, 15.4, 12.48) [0.6826, 0.758, 0.6144]\n", + " PeriodicSite: Li (0.5738, 6.513, 2.846) [0.02825, 0.3207, 0.1401]\n", + " PeriodicSite: Li (18.53, 8.032, 10.1) [0.9121, 0.3954, 0.4971]\n", + " PeriodicSite: Li (0.9422, 17.72, 3.664) [0.04638, 0.8723, 0.1804]\n", + " PeriodicSite: Li (0.3097, 19.59, 12.62) [0.01524, 0.9642, 0.6213]\n", + " PeriodicSite: Li (9.988, 7.602, 2.958) [0.4917, 0.3743, 0.1456]\n", + " PeriodicSite: Li (12.69, 10.07, 12.85) [0.6249, 0.4955, 0.6328]\n", + " PeriodicSite: Li (11.91, 17.9, 0.03118) [0.5862, 0.8811, 0.001539]\n", + " PeriodicSite: Li (8.261, 17.37, 15.52) [0.4067, 0.8552, 0.764]\n", + " PeriodicSite: Li (4.016, 8.299, 4.678) [0.1977, 0.4086, 0.2303]\n", + " PeriodicSite: Li (1.464, 9.644, 11.93) [0.0721, 0.4748, 0.5871]\n", + " PeriodicSite: Li (1.576, 18.27, 0.2822) [0.07757, 0.8996, 0.01389]\n", + " PeriodicSite: Li (2.754, 0.005238, 13.65) [0.1356, 0.0002577, 0.6718]\n", + " PeriodicSite: Li (14.42, 8.698, 3.272) [0.7101, 0.4282, 0.1611]\n", + " PeriodicSite: Li (13.21, 7.462, 10.06) [0.6505, 0.3673, 0.4953]\n", + " PeriodicSite: Li (12.41, 0.005693, 1.821) [0.6109, 0.0002747, 0.08965]\n", + " PeriodicSite: Li (12.77, 16.82, 10.36) [0.6288, 0.8283, 0.5099]\n", + " PeriodicSite: Li (6.866, 5.188, 1.856) [0.338, 0.2554, 0.09138]\n", + " PeriodicSite: Li (4.658, 8.403, 13.64) [0.2293, 0.4137, 0.6715]\n", + " PeriodicSite: Li (4.152, 18.39, 4.262) [0.2044, 0.9052, 0.2098]\n", + " PeriodicSite: Li (0.5986, 15.84, 12.86) [0.02947, 0.7799, 0.6333]\n", + " PeriodicSite: Li (12.59, 10.74, 5.92) [0.6196, 0.5285, 0.2914]\n", + " PeriodicSite: Li (14.96, 6.804, 12.0) [0.7366, 0.335, 0.5909]\n", + " PeriodicSite: Li (14.63, 16.73, 1.72) [0.7201, 0.8234, 0.08469]\n", + " PeriodicSite: Li (15.86, 2.135, 14.57) [0.7807, 0.1051, 0.7174]\n", + " PeriodicSite: Li (10.23, 3.785, 3.411) [0.5036, 0.1863, 0.1679]\n", + " PeriodicSite: Li (9.367, 4.293, 13.47) [0.4611, 0.2114, 0.6632]\n", + " PeriodicSite: Li (7.043, 10.43, 2.673) [0.3467, 0.5134, 0.1316]\n", + " PeriodicSite: Li (3.049, 11.69, 15.21) [0.1501, 0.5757, 0.749]\n", + " PeriodicSite: Li (17.57, 2.192, 5.043) [0.8648, 0.1079, 0.2483]\n", + " PeriodicSite: Li (12.57, 3.687, 9.708) [0.6186, 0.1815, 0.4779]\n", + " PeriodicSite: Li (18.63, 10.08, 1.497) [0.9173, 0.496, 0.07372]\n", + " PeriodicSite: Li (17.37, 10.35, 13.06) [0.8551, 0.5094, 0.6429]\n", + " PeriodicSite: Li (7.288, 19.28, 5.556) [0.3588, 0.9494, 0.2735]\n", + " PeriodicSite: Li (6.517, 2.289, 14.27) [0.3208, 0.1127, 0.7024]\n", + " PeriodicSite: Li (7.129, 13.22, 0.2561) [0.351, 0.6509, 0.01261]\n", + " PeriodicSite: Li (9.778, 13.87, 13.13) [0.4814, 0.6827, 0.6462]\n", + " PeriodicSite: Li (15.64, 0.7122, 3.055) [0.7702, 0.03505, 0.1504]\n", + " PeriodicSite: Li (18.1, 1.039, 11.14) [0.8913, 0.05113, 0.5486]\n", + " PeriodicSite: Li (17.66, 10.74, 4.505) [0.8694, 0.5287, 0.2218]\n", + " PeriodicSite: Li (16.95, 15.11, 12.22) [0.8344, 0.7439, 0.6017]\n", + " PeriodicSite: Li (8.779, 5.269, 6.59) [0.4322, 0.2594, 0.3244]\n", + " PeriodicSite: Li (9.078, 0.822, 12.7) [0.4469, 0.04046, 0.625]\n", + " PeriodicSite: Li (8.805, 13.03, 4.907) [0.4335, 0.6413, 0.2416]\n", + " PeriodicSite: Li (6.941, 13.7, 10.48) [0.3417, 0.6746, 0.5159]\n", + " PeriodicSite: Li (20.19, 2.691, 2.59) [0.9938, 0.1325, 0.1275]\n", + " PeriodicSite: Li (19.09, 4.623, 13.09) [0.9398, 0.2276, 0.6446]\n", + " PeriodicSite: Li (17.22, 14.57, 2.193) [0.8476, 0.7174, 0.108]\n", + " PeriodicSite: Li (15.13, 11.79, 12.99) [0.745, 0.5804, 0.6395]\n", + " PeriodicSite: Li (2.906, 20.08, 2.666) [0.1431, 0.9887, 0.1313]\n", + " PeriodicSite: Li (5.975, 0.3463, 12.7) [0.2942, 0.01705, 0.6254]\n", + " PeriodicSite: Li (5.799, 14.36, 2.287) [0.2855, 0.7068, 0.1126]\n", + " PeriodicSite: Li (7.43, 8.811, 14.97) [0.3658, 0.4338, 0.7372]\n", + " PeriodicSite: Li (18.28, 4.593, 3.519) [0.9001, 0.2261, 0.1732]\n", + " PeriodicSite: Li (16.81, 18.93, 14.04) [0.8274, 0.932, 0.6913]\n", + " PeriodicSite: Li (16.84, 12.87, 0.4416) [0.8292, 0.6335, 0.02175]\n", + " PeriodicSite: Li (19.78, 12.16, 11.93) [0.9736, 0.5987, 0.5875]\n", + " PeriodicSite: Li (7.107, 2.979, 0.1396) [0.3499, 0.1466, 0.006876]\n", + " PeriodicSite: Li (5.641, 2.637, 10.79) [0.2777, 0.1298, 0.5312]\n", + " PeriodicSite: Li (9.79, 12.07, 2.295) [0.482, 0.5942, 0.113]\n", + " PeriodicSite: Li (8.33, 10.76, 11.17) [0.4101, 0.5298, 0.5498]\n", + " PeriodicSite: Li (15.72, 3.986, 2.363) [0.7741, 0.1962, 0.1164]\n", + " PeriodicSite: Li (15.11, 3.303, 11.85) [0.7441, 0.1626, 0.5835]\n", + " PeriodicSite: Li (0.8458, 12.58, 19.81) [0.04164, 0.6193, 0.9751]\n", + " PeriodicSite: Li (19.23, 13.02, 14.26) [0.9468, 0.641, 0.7023]\n", + " PeriodicSite: Li (9.234, 1.287, 1.991) [0.4546, 0.06335, 0.09803]\n", + " PeriodicSite: Li (8.553, 2.056, 10.45) [0.4211, 0.1012, 0.5147]\n", + " PeriodicSite: Li (5.592, 12.4, 4.536) [0.2753, 0.6107, 0.2233]\n", + " PeriodicSite: Li (5.986, 14.5, 12.78) [0.2947, 0.7136, 0.6292]\n", + " PeriodicSite: Li (17.58, 3.084, 0.08816) [0.8654, 0.1518, 0.004345]\n", + " PeriodicSite: Li (1.535, 7.168, 14.44) [0.07556, 0.3529, 0.7108]\n", + " PeriodicSite: Li (3.102, 15.76, 8.576) [0.1527, 0.7761, 0.4222]\n", + " PeriodicSite: Li (16.96, 13.02, 10.37) [0.8349, 0.6409, 0.5104]\n", + " PeriodicSite: Li (12.23, 7.165, 5.171) [0.6021, 0.3527, 0.2546]\n", + " PeriodicSite: Li (5.375, 8.142, 16.96) [0.2646, 0.4009, 0.835]\n", + " PeriodicSite: Li (6.282, 16.59, 9.864) [0.3093, 0.817, 0.4856]\n", + " PeriodicSite: Li (7.527, 16.34, 19.57) [0.3705, 0.8045, 0.9633]\n", + " PeriodicSite: Li (15.54, 8.256, 7.098) [0.7649, 0.4064, 0.3495]\n", + " PeriodicSite: Li (2.873, 5.356, 18.08) [0.1414, 0.2637, 0.8902]\n", + " PeriodicSite: Li (17.31, 18.76, 5.433) [0.8522, 0.9235, 0.2675]\n", + " PeriodicSite: Li (19.73, 19.17, 18.69) [0.9713, 0.9438, 0.9201]\n", + " PeriodicSite: Li (7.115, 8.025, 5.343) [0.3503, 0.3951, 0.263]\n", + " PeriodicSite: Li (8.159, 5.826, 17.06) [0.4017, 0.2868, 0.8401]\n", + " PeriodicSite: Li (7.448, 19.77, 8.503) [0.3666, 0.9735, 0.4186]\n", + " PeriodicSite: Li (6.771, 0.133, 16.62) [0.3333, 0.006548, 0.8182]\n", + " PeriodicSite: Li (18.09, 10.2, 7.705) [0.8907, 0.5023, 0.3793]\n", + " PeriodicSite: Li (17.56, 8.412, 15.38) [0.8646, 0.4141, 0.7572]\n", + " PeriodicSite: Li (18.46, 19.56, 8.255) [0.9088, 0.9629, 0.4064]\n", + " PeriodicSite: Li (18.01, 15.75, 16.92) [0.8868, 0.7754, 0.8328]\n", + " PeriodicSite: Li (5.99, 5.701, 8.068) [0.2949, 0.2807, 0.3972]\n", + " PeriodicSite: Li (5.528, 7.083, 19.86) [0.2722, 0.3487, 0.9778]\n", + " PeriodicSite: Li (9.196, 17.82, 9.165) [0.4527, 0.8772, 0.4512]\n", + " PeriodicSite: Li (8.243, 14.46, 16.65) [0.4058, 0.7116, 0.8195]\n", + " PeriodicSite: Li (20.18, 7.796, 7.185) [0.9937, 0.3838, 0.3537]\n", + " PeriodicSite: Li (18.62, 5.294, 17.15) [0.9168, 0.2606, 0.8443]\n", + " PeriodicSite: Li (16.02, 17.42, 9.752) [0.7886, 0.8576, 0.4801]\n", + " PeriodicSite: Li (17.22, 17.1, 0.1847) [0.8477, 0.8418, 0.0091]\n", + " PeriodicSite: Li (9.721, 8.584, 8.616) [0.4786, 0.4226, 0.4242]\n", + " PeriodicSite: Li (8.41, 8.346, 20.13) [0.4141, 0.4109, 0.9912]\n", + " PeriodicSite: Li (5.336, 18.13, 6.977) [0.2627, 0.8927, 0.3435]\n", + " PeriodicSite: Li (8.209, 15.21, 3.07) [0.4041, 0.7487, 0.1512]\n", + " PeriodicSite: Li (16.44, 6.151, 9.463) [0.8094, 0.3028, 0.4659]\n", + " PeriodicSite: Li (18.89, 9.632, 18.32) [0.93, 0.4742, 0.9017]\n", + " PeriodicSite: Li (15.22, 18.1, 7.085) [0.7494, 0.8912, 0.3488]\n", + " PeriodicSite: Li (15.26, 18.53, 17.08) [0.7513, 0.9124, 0.8409]\n", + " PeriodicSite: Li (6.878, 4.637, 11.5) [0.3386, 0.2283, 0.566]\n", + " PeriodicSite: Li (7.93, 10.32, 18.27) [0.3904, 0.5078, 0.8992]\n", + " PeriodicSite: Li (9.487, 17.64, 6.059) [0.4671, 0.8684, 0.2983]\n", + " PeriodicSite: Li (10.31, 18.28, 2.322) [0.5074, 0.9001, 0.1143]\n", + " PeriodicSite: Li (17.38, 7.888, 5.196) [0.8555, 0.3883, 0.2558]\n", + " PeriodicSite: Li (15.39, 3.268, 18.29) [0.7577, 0.1609, 0.9004]\n", + " PeriodicSite: Li (19.85, 16.97, 7.248) [0.9773, 0.8354, 0.3568]\n", + " PeriodicSite: Li (18.45, 0.3696, 1.697) [0.9082, 0.01819, 0.08357]\n", + " PeriodicSite: Li (3.504, 10.2, 2.978) [0.1725, 0.502, 0.1466]\n", + " PeriodicSite: Li (10.07, 8.045, 17.92) [0.4958, 0.3961, 0.8824]\n", + " PeriodicSite: Li (8.194, 15.28, 7.147) [0.4034, 0.7525, 0.3518]\n", + " PeriodicSite: Li (8.384, 19.8, 19.13) [0.4127, 0.9747, 0.9418]\n", + " PeriodicSite: Li (18.68, 5.502, 7.112) [0.9197, 0.2709, 0.3502]\n", + " PeriodicSite: Li (16.82, 11.96, 15.79) [0.828, 0.5888, 0.7775]\n", + " PeriodicSite: Li (18.44, 14.83, 5.221) [0.9078, 0.7302, 0.2571]\n", + " PeriodicSite: Li (13.28, 0.8446, 14.12) [0.6537, 0.04158, 0.695]\n", + " PeriodicSite: Cl (7.565, 12.89, 12.44) [0.3724, 0.6346, 0.6122]\n", + " PeriodicSite: Cl (2.543, 12.83, 17.55) [0.1252, 0.6318, 0.8638]\n", + " PeriodicSite: Cl (12.5, 17.59, 12.59) [0.6155, 0.8658, 0.6198]\n", + " PeriodicSite: Cl (17.64, 7.231, 17.84) [0.8683, 0.356, 0.8785]\n", + " PeriodicSite: Cl (7.735, 2.868, 2.546) [0.3808, 0.1412, 0.1253]\n", + " PeriodicSite: Cl (7.555, 7.267, 7.38) [0.372, 0.3578, 0.3633]\n", + " PeriodicSite: Cl (12.33, 12.52, 7.65) [0.6069, 0.6162, 0.3766]\n", + " PeriodicSite: Cl (2.539, 7.881, 2.573) [0.125, 0.388, 0.1267]\n", + " PeriodicSite: Cl (2.826, 7.786, 12.42) [0.1391, 0.3833, 0.6114]\n", + " PeriodicSite: Cl (13.12, 12.68, 18.08) [0.6459, 0.6242, 0.8902]\n", + " PeriodicSite: Cl (17.56, 17.92, 17.92) [0.8646, 0.8823, 0.8823]\n", + " PeriodicSite: Cl (2.206, 2.301, 7.823) [0.1086, 0.1133, 0.3852]\n", + " PeriodicSite: Cl (12.91, 2.487, 17.9) [0.6356, 0.1224, 0.8812]\n", + " PeriodicSite: Cl (12.5, 7.774, 2.842) [0.6153, 0.3827, 0.1399]\n", + " PeriodicSite: Cl (17.35, 2.56, 12.76) [0.8543, 0.126, 0.628]\n", + " PeriodicSite: Cl (7.491, 17.82, 17.69) [0.3688, 0.8775, 0.8708]\n", + " PeriodicSite: Cl (20.12, 20.1, 0.4716) [0.9904, 0.9897, 0.02322]\n", + " PeriodicSite: Cl (20.2, 20.18, 10.27) [0.9944, 0.9936, 0.5057]\n", + " PeriodicSite: Cl (0.02253, 9.851, 20.1) [0.00111, 0.485, 0.9896]\n", + " PeriodicSite: Cl (0.1173, 10.31, 9.99) [0.005771, 0.5075, 0.4918]\n", + " PeriodicSite: Cl (10.26, 20.21, 0.276) [0.5053, 0.9948, 0.01359]\n", + " PeriodicSite: Cl (9.892, 0.00914, 10.11) [0.487, 0.0004462, 0.4977]\n", + " PeriodicSite: Cl (9.959, 9.935, 19.93) [0.4903, 0.4891, 0.981]\n", + " PeriodicSite: Cl (10.33, 10.04, 10.45) [0.5087, 0.494, 0.5146]\n", + " PeriodicSite: Cl (19.88, 4.914, 4.971) [0.9789, 0.2419, 0.2447]\n", + " PeriodicSite: Cl (20.12, 5.288, 15.35) [0.9904, 0.2603, 0.7559]\n", + " PeriodicSite: Cl (0.2381, 15.1, 5.519) [0.01172, 0.7431, 0.2717]\n", + " PeriodicSite: Cl (19.51, 15.34, 15.21) [0.9607, 0.7551, 0.7489]\n", + " PeriodicSite: Cl (10.24, 5.61, 4.944) [0.5039, 0.2762, 0.2434]\n", + " PeriodicSite: Cl (10.12, 5.481, 15.34) [0.498, 0.2699, 0.7552]\n", + " PeriodicSite: Cl (9.697, 15.33, 5.091) [0.4774, 0.7548, 0.2506]\n", + " PeriodicSite: Cl (9.792, 15.62, 15.41) [0.482, 0.769, 0.7586]\n", + " PeriodicSite: S (4.993, 20.3, 5.194) [0.2458, 0.9996, 0.2557]\n", + " PeriodicSite: S (5.045, 0.4205, 14.97) [0.2484, 0.0207, 0.737]\n", + " PeriodicSite: S (5.441, 10.09, 4.628) [0.2679, 0.4969, 0.2278]\n", + " PeriodicSite: S (5.043, 10.14, 15.24) [0.2483, 0.4993, 0.7502]\n", + " PeriodicSite: S (15.13, 20.05, 5.215) [0.7447, 0.9869, 0.2567]\n", + " PeriodicSite: S (15.27, 20.07, 15.21) [0.7519, 0.9881, 0.7487]\n", + " PeriodicSite: S (15.47, 9.826, 5.17) [0.7616, 0.4837, 0.2545]\n", + " PeriodicSite: S (15.12, 10.33, 15.0) [0.7443, 0.5086, 0.7385]\n", + " PeriodicSite: S (5.572, 4.878, 0.01076) [0.2743, 0.2402, 0.0005315]\n", + " PeriodicSite: S (4.922, 4.999, 9.981) [0.2423, 0.2461, 0.4914]\n", + " PeriodicSite: S (5.498, 15.3, 0.0271) [0.2707, 0.7533, 0.001337]\n", + " PeriodicSite: S (4.705, 14.96, 10.24) [0.2316, 0.7363, 0.5043]\n", + " PeriodicSite: S (15.36, 4.847, 20.18) [0.756, 0.2386, 0.9935]\n", + " PeriodicSite: S (14.63, 5.166, 10.42) [0.7203, 0.2543, 0.513]\n", + " PeriodicSite: S (15.69, 14.92, 0.232) [0.7726, 0.7346, 0.01143]\n", + " PeriodicSite: S (15.17, 15.21, 10.32) [0.7466, 0.7489, 0.5079]\n", + " PeriodicSite: S (8.932, 3.881, 8.88) [0.4398, 0.1911, 0.4372]\n", + " PeriodicSite: S (8.943, 4.237, 19.04) [0.4403, 0.2086, 0.9373]\n", + " PeriodicSite: S (8.78, 13.58, 8.961) [0.4322, 0.6684, 0.4412]\n", + " PeriodicSite: S (8.898, 13.85, 19.13) [0.4381, 0.6818, 0.942]\n", + " PeriodicSite: S (18.8, 3.2, 9.016) [0.9254, 0.1575, 0.4439]\n", + " PeriodicSite: S (19.85, 3.799, 19.22) [0.9771, 0.187, 0.9464]\n", + " PeriodicSite: S (19.13, 13.88, 8.99) [0.9416, 0.6833, 0.4426]\n", + " PeriodicSite: S (19.25, 14.16, 19.11) [0.9477, 0.6971, 0.9407]\n", + " PeriodicSite: S (4.303, 1.099, 1.231) [0.2118, 0.05412, 0.06063]\n", + " PeriodicSite: S (3.883, 1.089, 11.19) [0.1912, 0.05362, 0.5509]\n", + " PeriodicSite: S (3.652, 11.31, 0.7003) [0.1798, 0.5566, 0.03448]\n", + " PeriodicSite: S (3.921, 11.45, 11.46) [0.193, 0.5638, 0.5642]\n", + " PeriodicSite: S (14.06, 1.374, 0.8178) [0.6923, 0.06763, 0.04026]\n", + " PeriodicSite: S (13.54, 1.065, 11.45) [0.6666, 0.05244, 0.5635]\n", + " PeriodicSite: S (14.03, 10.93, 0.9578) [0.6907, 0.538, 0.04716]\n", + " PeriodicSite: S (14.09, 11.06, 11.14) [0.6935, 0.5443, 0.5487]\n", + " PeriodicSite: S (6.365, 1.472, 8.806) [0.3134, 0.07249, 0.4335]\n", + " PeriodicSite: S (6.405, 1.099, 19.03) [0.3153, 0.0541, 0.9369]\n", + " PeriodicSite: S (6.518, 11.47, 9.265) [0.3209, 0.5647, 0.4561]\n", + " PeriodicSite: S (6.108, 11.54, 18.82) [0.3007, 0.5683, 0.9265]\n", + " PeriodicSite: S (16.27, 1.033, 9.427) [0.8008, 0.05084, 0.4641]\n", + " PeriodicSite: S (16.55, 1.218, 18.97) [0.8147, 0.05997, 0.9337]\n", + " PeriodicSite: S (16.49, 11.29, 8.984) [0.8117, 0.5556, 0.4423]\n", + " PeriodicSite: S (16.69, 10.8, 19.3) [0.8216, 0.5315, 0.95]\n", + " PeriodicSite: S (1.587, 4.468, 1.606) [0.07815, 0.22, 0.07906]\n", + " PeriodicSite: S (0.7682, 3.906, 11.48) [0.03782, 0.1923, 0.5652]\n", + " PeriodicSite: S (1.286, 14.16, 1.248) [0.06331, 0.6973, 0.06143]\n", + " PeriodicSite: S (1.001, 14.09, 11.35) [0.04927, 0.6938, 0.5587]\n", + " PeriodicSite: S (11.17, 4.099, 1.276) [0.5499, 0.2018, 0.06282]\n", + " PeriodicSite: S (10.97, 3.838, 11.4) [0.5402, 0.1889, 0.5614]\n", + " PeriodicSite: S (11.37, 13.62, 0.944) [0.5598, 0.6704, 0.04648]\n", + " PeriodicSite: S (11.33, 13.89, 11.2) [0.5579, 0.6838, 0.5513]\n", + " PeriodicSite: S (3.028, 2.848, 17.54) [0.1491, 0.1402, 0.8633]\n", + " PeriodicSite: S (2.836, 12.84, 7.712) [0.1396, 0.632, 0.3797]\n", + " PeriodicSite: S (12.89, 2.351, 7.888) [0.6345, 0.1157, 0.3884]\n", + " PeriodicSite: S (8.825, 9.067, 4.083) [0.4345, 0.4464, 0.201]\n", + " PeriodicSite: S (9.118, 9.461, 13.82) [0.4489, 0.4658, 0.6803]\n", + " PeriodicSite: S (8.851, 19.4, 3.746) [0.4358, 0.9551, 0.1844]\n", + " PeriodicSite: S (8.851, 19.38, 14.39) [0.4358, 0.954, 0.7084]\n", + " PeriodicSite: S (19.64, 8.972, 3.746) [0.9671, 0.4417, 0.1844]\n", + " PeriodicSite: S (19.28, 8.856, 13.76) [0.9491, 0.436, 0.6773]\n", + " PeriodicSite: S (19.24, 19.02, 3.797) [0.947, 0.9364, 0.1869]\n", + " PeriodicSite: S (19.25, 19.4, 14.83) [0.9477, 0.9549, 0.7301]\n", + " PeriodicSite: S (4.117, 6.337, 6.377) [0.2027, 0.312, 0.3139]\n", + " PeriodicSite: S (3.713, 6.38, 16.07) [0.1828, 0.3141, 0.791]\n", + " PeriodicSite: S (3.772, 16.43, 6.076) [0.1857, 0.8089, 0.2991]\n", + " PeriodicSite: S (3.35, 16.08, 16.4) [0.1649, 0.7917, 0.8076]\n", + " PeriodicSite: S (13.87, 6.005, 6.638) [0.6829, 0.2956, 0.3268]\n", + " PeriodicSite: S (13.69, 5.853, 16.47) [0.6738, 0.2881, 0.811]\n", + " PeriodicSite: S (13.7, 16.05, 5.771) [0.6746, 0.7899, 0.2841]\n", + " PeriodicSite: S (13.73, 16.42, 16.49) [0.676, 0.8084, 0.8119]\n", + " PeriodicSite: S (5.841, 6.642, 3.493) [0.2875, 0.327, 0.172]\n", + " PeriodicSite: S (6.009, 6.372, 13.59) [0.2958, 0.3137, 0.6692]\n", + " PeriodicSite: S (6.204, 16.39, 3.801) [0.3054, 0.807, 0.1871]\n", + " PeriodicSite: S (5.998, 16.72, 14.48) [0.2953, 0.8233, 0.7128]\n", + " PeriodicSite: S (16.06, 6.384, 3.726) [0.7907, 0.3143, 0.1834]\n", + " PeriodicSite: S (16.07, 6.437, 14.13) [0.7912, 0.3169, 0.6956]\n", + " PeriodicSite: S (16.59, 15.88, 4.107) [0.8167, 0.7818, 0.2022]\n", + " PeriodicSite: S (15.83, 16.38, 14.01) [0.7793, 0.8063, 0.6898]\n", + " PeriodicSite: S (1.826, 9.184, 5.976) [0.08989, 0.4522, 0.2942]\n", + " PeriodicSite: S (1.303, 9.153, 16.23) [0.06412, 0.4506, 0.7992]\n", + " PeriodicSite: S (1.211, 19.02, 5.979) [0.0596, 0.9365, 0.2943]\n", + " PeriodicSite: S (1.246, 19.67, 17.06) [0.06135, 0.9684, 0.8398]\n", + " PeriodicSite: S (11.22, 8.957, 6.456) [0.5524, 0.441, 0.3178]\n", + " PeriodicSite: S (11.38, 9.486, 16.31) [0.56, 0.467, 0.8028]\n", + " PeriodicSite: S (11.28, 19.39, 6.26) [0.5552, 0.9548, 0.3082]\n", + " PeriodicSite: S (11.84, 19.52, 16.03) [0.5829, 0.9608, 0.789]\n", + " PeriodicSite: S (2.777, 17.81, 2.204) [0.1367, 0.8769, 0.1085]\n", + " PeriodicSite: S (2.131, 17.82, 13.05) [0.1049, 0.8774, 0.6425]\n", + " PeriodicSite: S (12.67, 7.709, 12.68) [0.6237, 0.3795, 0.6244]\n", + " PeriodicSite: S (12.57, 17.78, 2.413) [0.6188, 0.8752, 0.1188]\n", + " PeriodicSite: S (3.912, 3.862, 3.834) [0.1926, 0.1901, 0.1888]\n", + " PeriodicSite: S (3.578, 3.95, 13.88) [0.1762, 0.1944, 0.6834]\n", + " PeriodicSite: S (3.843, 14.1, 3.847) [0.1892, 0.6943, 0.1894]\n", + " PeriodicSite: S (4.023, 14.06, 14.05) [0.1981, 0.692, 0.6915]\n", + " PeriodicSite: S (14.07, 3.72, 4.16) [0.6925, 0.1831, 0.2048]\n", + " PeriodicSite: S (13.83, 3.958, 13.9) [0.6806, 0.1949, 0.6842]\n", + " PeriodicSite: S (14.11, 13.37, 4.081) [0.6944, 0.6584, 0.2009]\n", + " PeriodicSite: S (13.76, 13.85, 14.49) [0.6773, 0.6821, 0.7133]\n", + " PeriodicSite: S (8.872, 1.109, 6.174) [0.4368, 0.05459, 0.3039]\n", + " PeriodicSite: S (9.223, 0.9963, 17.06) [0.4541, 0.04905, 0.8397]\n", + " PeriodicSite: S (8.697, 11.0, 6.932) [0.4282, 0.5414, 0.3413]\n", + " PeriodicSite: S (9.104, 11.82, 16.46) [0.4482, 0.5818, 0.8104]\n", + " PeriodicSite: S (19.0, 0.9399, 6.515) [0.9352, 0.04626, 0.3207]\n", + " PeriodicSite: S (19.32, 1.806, 16.95) [0.9511, 0.08889, 0.8345]\n", + " PeriodicSite: S (19.53, 11.61, 6.073) [0.9613, 0.5716, 0.299]\n", + " PeriodicSite: S (18.93, 11.17, 16.26) [0.932, 0.5497, 0.8004]\n", + " PeriodicSite: S (1.239, 1.432, 4.161) [0.061, 0.07052, 0.2049]\n", + " PeriodicSite: S (0.9972, 1.514, 14.28) [0.0491, 0.07456, 0.703]\n", + " PeriodicSite: S (1.512, 11.62, 3.858) [0.07442, 0.572, 0.1899]\n", + " PeriodicSite: S (0.9776, 11.4, 13.73) [0.04813, 0.5613, 0.676]\n", + " PeriodicSite: S (11.27, 1.504, 3.813) [0.5549, 0.07404, 0.1877]\n", + " PeriodicSite: S (11.01, 1.991, 14.34) [0.5422, 0.09801, 0.7062]\n", + " PeriodicSite: S (10.92, 11.51, 4.368) [0.5374, 0.5667, 0.215]\n", + " PeriodicSite: S (11.35, 11.84, 13.92) [0.5589, 0.5831, 0.6854]\n", + " PeriodicSite: S (6.411, 4.109, 6.124) [0.3156, 0.2023, 0.3015]\n", + " PeriodicSite: S (6.263, 4.022, 15.96) [0.3083, 0.198, 0.7857]\n", + " PeriodicSite: S (6.099, 14.0, 6.246) [0.3002, 0.689, 0.3075]\n", + " PeriodicSite: S (5.879, 13.93, 16.76) [0.2894, 0.6857, 0.8249]\n", + " PeriodicSite: S (16.57, 4.174, 6.248) [0.8156, 0.2055, 0.3076]\n", + " PeriodicSite: S (16.42, 3.96, 16.33) [0.8084, 0.1949, 0.8042]\n", + " PeriodicSite: S (16.4, 13.95, 6.63) [0.8075, 0.6868, 0.3264]\n", + " PeriodicSite: S (16.13, 14.09, 16.76) [0.7942, 0.6937, 0.8253]\n", + " PeriodicSite: S (7.785, 2.778, 12.47) [0.3833, 0.1368, 0.6141]\n", + " PeriodicSite: S (7.635, 12.85, 2.818) [0.3759, 0.6328, 0.1387]\n", + " PeriodicSite: S (17.65, 2.485, 2.581) [0.869, 0.1223, 0.1271]\n", + " PeriodicSite: S (17.78, 12.22, 2.732) [0.8753, 0.6014, 0.1345]\n", + " PeriodicSite: S (17.37, 12.67, 12.97) [0.8552, 0.6238, 0.6383]\n", + " PeriodicSite: S (4.136, 9.25, 8.825) [0.2036, 0.4554, 0.4345]\n", + " PeriodicSite: S (3.993, 8.847, 18.69) [0.1966, 0.4356, 0.9202]\n", + " PeriodicSite: S (3.844, 19.23, 8.623) [0.1892, 0.9468, 0.4245]\n", + " PeriodicSite: S (3.919, 19.13, 19.21) [0.1929, 0.9419, 0.9458]\n", + " PeriodicSite: S (13.97, 9.212, 8.905) [0.6878, 0.4535, 0.4384]\n", + " PeriodicSite: S (14.17, 8.25, 19.39) [0.6977, 0.4062, 0.9547]\n", + " PeriodicSite: S (13.97, 19.0, 9.087) [0.6876, 0.9353, 0.4474]\n", + " PeriodicSite: S (14.16, 19.17, 19.05) [0.697, 0.9436, 0.9377]\n", + " PeriodicSite: S (8.819, 6.488, 1.36) [0.4342, 0.3194, 0.06694]\n", + " PeriodicSite: S (8.838, 6.487, 10.73) [0.4351, 0.3194, 0.5281]\n", + " PeriodicSite: S (9.349, 16.32, 1.087) [0.4603, 0.8036, 0.05353]\n", + " PeriodicSite: S (8.69, 16.18, 11.1) [0.4278, 0.7964, 0.5467]\n", + " PeriodicSite: S (19.14, 5.869, 1.557) [0.9423, 0.289, 0.07668]\n", + " PeriodicSite: S (18.81, 5.907, 11.08) [0.926, 0.2908, 0.5454]\n", + " PeriodicSite: S (19.41, 16.32, 1.385) [0.9554, 0.8036, 0.06819]\n", + " PeriodicSite: S (18.88, 16.49, 11.3) [0.9294, 0.8116, 0.5562]\n", + " PeriodicSite: S (0.8017, 5.794, 8.48) [0.03947, 0.2852, 0.4175]\n", + " PeriodicSite: S (1.072, 6.612, 19.39) [0.05278, 0.3255, 0.9545]\n", + " PeriodicSite: S (0.893, 16.55, 9.087) [0.04396, 0.8147, 0.4474]\n", + " PeriodicSite: S (1.417, 16.43, 19.17) [0.06975, 0.809, 0.9438]\n", + " PeriodicSite: S (11.34, 6.039, 8.666) [0.5583, 0.2973, 0.4267]\n", + " PeriodicSite: S (11.3, 6.776, 19.55) [0.5565, 0.3336, 0.9627]\n", + " PeriodicSite: S (10.96, 16.44, 8.969) [0.5395, 0.8092, 0.4415]\n", + " PeriodicSite: S (11.25, 16.09, 18.74) [0.5541, 0.7922, 0.9227]\n", + " PeriodicSite: S (6.144, 9.041, 0.7009) [0.3025, 0.4451, 0.03451]\n", + " PeriodicSite: S (6.425, 8.982, 11.52) [0.3163, 0.4422, 0.5671]\n", + " PeriodicSite: S (6.63, 19.0, 1.032) [0.3264, 0.9352, 0.05081]\n", + " PeriodicSite: S (6.285, 19.07, 10.79) [0.3094, 0.9386, 0.5312]\n", + " PeriodicSite: S (16.41, 8.684, 1.607) [0.8079, 0.4275, 0.0791]\n", + " PeriodicSite: S (16.45, 8.675, 11.37) [0.8099, 0.4271, 0.5597]\n", + " PeriodicSite: S (16.22, 19.44, 1.415) [0.7984, 0.9569, 0.06966]\n", + " PeriodicSite: S (16.32, 19.03, 11.68) [0.8035, 0.9368, 0.5752]\n", + " PeriodicSite: S (7.646, 8.047, 17.83) [0.3764, 0.3962, 0.8777]\n", + " PeriodicSite: S (7.645, 17.57, 7.379) [0.3764, 0.865, 0.3633]\n", + " PeriodicSite: S (17.87, 7.77, 7.574) [0.8796, 0.3825, 0.3729]\n", + " PeriodicSite: S (17.47, 17.58, 7.442) [0.8599, 0.8654, 0.3664]\n", + " PeriodicSite: P (5.327, 20.14, 0.004557) [0.2622, 0.9914, 0.0002274]\n", + " PeriodicSite: P (5.012, 0.03266, 9.874) [0.2467, 0.001606, 0.4861]\n", + " PeriodicSite: P (4.906, 10.24, 19.87) [0.2415, 0.5042, 0.9781]\n", + " PeriodicSite: P (5.175, 10.23, 10.33) [0.2548, 0.5037, 0.5087]\n", + " PeriodicSite: P (15.26, 0.07153, 20.21) [0.7512, 0.003516, 0.9952]\n", + " PeriodicSite: P (14.95, 20.17, 10.47) [0.7358, 0.9929, 0.5153]\n", + " PeriodicSite: P (15.39, 9.707, 0.1966) [0.7576, 0.4779, 0.009686]\n", + " PeriodicSite: P (15.37, 9.955, 10.09) [0.7566, 0.4901, 0.4968]\n", + " PeriodicSite: P (5.151, 5.248, 4.936) [0.2536, 0.2584, 0.243]\n", + " PeriodicSite: P (4.903, 5.206, 14.87) [0.2414, 0.2563, 0.7322]\n", + " PeriodicSite: P (5.046, 15.27, 5.04) [0.2484, 0.7518, 0.2481]\n", + " PeriodicSite: P (4.928, 15.18, 15.51) [0.2426, 0.7474, 0.7637]\n", + " PeriodicSite: P (15.15, 5.056, 5.168) [0.7458, 0.2489, 0.2544]\n", + " PeriodicSite: P (15.08, 5.087, 15.24) [0.7423, 0.2504, 0.7503]\n", + " PeriodicSite: P (15.21, 14.72, 5.153) [0.7489, 0.7245, 0.2537]\n", + " PeriodicSite: P (14.96, 15.1, 15.43) [0.7364, 0.7435, 0.7594]\n", + " PeriodicSite: P (20.28, 20.27, 5.092) [0.9986, 0.9977, 0.2507]\n", + " PeriodicSite: P (0.09921, 0.547, 15.82) [0.004888, 0.02693, 0.7787]\n", + " PeriodicSite: P (0.3985, 10.28, 4.843) [0.01962, 0.5059, 0.2385]\n", + " PeriodicSite: P (0.01229, 10.11, 14.98) [0.0006045, 0.4977, 0.7375]\n", + " PeriodicSite: P (10.12, 0.1875, 4.951) [0.498, 0.009225, 0.2437]\n", + " PeriodicSite: P (10.21, 0.2627, 15.47) [0.5025, 0.01293, 0.7614]\n", + " PeriodicSite: P (9.873, 10.07, 5.575) [0.4861, 0.496, 0.2745]\n", + " PeriodicSite: P (10.25, 10.61, 15.15) [0.5047, 0.5226, 0.7456]\n", + " PeriodicSite: P (0.2953, 5.147, 0.2065) [0.01454, 0.2534, 0.01017]\n", + " PeriodicSite: P (19.98, 4.656, 9.953) [0.9836, 0.2292, 0.49]\n", + " PeriodicSite: P (0.1364, 15.34, 20.29) [0.006713, 0.7552, 0.999]\n", + " PeriodicSite: P (20.04, 15.26, 10.16) [0.9866, 0.7511, 0.5003]\n", + " PeriodicSite: P (10.05, 5.385, 0.1127) [0.4949, 0.2651, 0.005549]\n", + " PeriodicSite: P (10.1, 5.154, 9.953) [0.4972, 0.2537, 0.49]\n", + " PeriodicSite: P (10.3, 15.01, 20.16) [0.507, 0.7391, 0.9924]\n", + " PeriodicSite: P (9.984, 14.89, 10.07) [0.4915, 0.7329, 0.4958],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.282, 3.13, 6.367) [0.01388, 0.1541, 0.3135]\n", + " PeriodicSite: Li (1.286, 3.481, 15.84) [0.06332, 0.1714, 0.7799]\n", + " PeriodicSite: Li (3.011, 13.5, 10.14) [0.1482, 0.6647, 0.4993]\n", + " PeriodicSite: Li (1.461, 14.69, 17.8) [0.07195, 0.7231, 0.8765]\n", + " PeriodicSite: Li (14.58, 0.8343, 7.172) [0.718, 0.04107, 0.3531]\n", + " PeriodicSite: Li (11.87, 3.95, 15.99) [0.5844, 0.1945, 0.7871]\n", + " PeriodicSite: Li (15.32, 12.06, 3.482) [0.7545, 0.5937, 0.1714]\n", + " PeriodicSite: Li (15.44, 9.727, 17.3) [0.7599, 0.4789, 0.8519]\n", + " PeriodicSite: Li (3.049, 4.567, 8.259) [0.1501, 0.2248, 0.4066]\n", + " PeriodicSite: Li (3.949, 0.4389, 17.39) [0.1944, 0.02161, 0.8562]\n", + " PeriodicSite: Li (6.153, 10.44, 6.963) [0.3029, 0.5138, 0.3428]\n", + " PeriodicSite: Li (5.682, 11.33, 13.31) [0.2797, 0.558, 0.6551]\n", + " PeriodicSite: Li (12.1, 4.529, 6.723) [0.5956, 0.223, 0.331]\n", + " PeriodicSite: Li (15.05, 6.211, 18.43) [0.7409, 0.3058, 0.9073]\n", + " PeriodicSite: Li (10.73, 8.426, 11.52) [0.5284, 0.4148, 0.5674]\n", + " PeriodicSite: Li (11.82, 15.04, 16.43) [0.5819, 0.7403, 0.809]\n", + " PeriodicSite: Li (3.234, 0.6681, 6.368) [0.1592, 0.03289, 0.3135]\n", + " PeriodicSite: Li (3.805, 2.427, 15.65) [0.1873, 0.1195, 0.7707]\n", + " PeriodicSite: Li (3.183, 10.81, 6.349) [0.1567, 0.5323, 0.3126]\n", + " PeriodicSite: Li (6.247, 11.81, 16.25) [0.3075, 0.5815, 0.7998]\n", + " PeriodicSite: Li (11.81, 0.2643, 8.352) [0.5812, 0.01301, 0.4112]\n", + " PeriodicSite: Li (10.36, 2.192, 18.45) [0.5101, 0.1079, 0.9081]\n", + " PeriodicSite: Li (13.35, 13.61, 9.888) [0.6571, 0.6701, 0.4868]\n", + " PeriodicSite: Li (10.62, 12.33, 19.11) [0.5227, 0.6071, 0.9406]\n", + " PeriodicSite: Li (0.7748, 1.446, 8.993) [0.03814, 0.07117, 0.4427]\n", + " PeriodicSite: Li (3.435, 3.217, 20.19) [0.1691, 0.1584, 0.9938]\n", + " PeriodicSite: Li (0.1318, 13.62, 7.557) [0.006482, 0.6703, 0.3721]\n", + " PeriodicSite: Li (4.514, 14.02, 18.7) [0.2222, 0.6903, 0.9206]\n", + " PeriodicSite: Li (13.16, 1.896, 5.165) [0.6479, 0.09331, 0.2543]\n", + " PeriodicSite: Li (13.66, 0.7769, 17.28) [0.6724, 0.03824, 0.8506]\n", + " PeriodicSite: Li (11.07, 12.3, 9.347) [0.5451, 0.6056, 0.4602]\n", + " PeriodicSite: Li (14.47, 14.52, 18.22) [0.7122, 0.7151, 0.8972]\n", + " PeriodicSite: Li (6.13, 1.677, 6.268) [0.3018, 0.08255, 0.3086]\n", + " PeriodicSite: Li (20.3, 1.583, 18.41) [0.9996, 0.07792, 0.9062]\n", + " PeriodicSite: Li (5.085, 13.24, 8.157) [0.2503, 0.6521, 0.4016]\n", + " PeriodicSite: Li (0.9394, 17.93, 15.46) [0.04624, 0.8825, 0.761]\n", + " PeriodicSite: Li (15.01, 3.645, 8.202) [0.7391, 0.1794, 0.4038]\n", + " PeriodicSite: Li (13.58, 3.725, 0.02323) [0.6683, 0.1834, 0.001148]\n", + " PeriodicSite: Li (16.55, 15.07, 8.165) [0.8147, 0.7418, 0.402]\n", + " PeriodicSite: Li (13.73, 13.31, 0.6552) [0.6761, 0.6553, 0.03226]\n", + " PeriodicSite: Li (5.548, 1.906, 3.362) [0.2731, 0.09381, 0.1655]\n", + " PeriodicSite: Li (4.892, 4.23, 17.94) [0.2408, 0.2083, 0.8834]\n", + " PeriodicSite: Li (2.176, 14.16, 5.43) [0.1071, 0.697, 0.2673]\n", + " PeriodicSite: Li (20.06, 12.67, 2.867) [0.9873, 0.6238, 0.1411]\n", + " PeriodicSite: Li (10.44, 2.589, 7.746) [0.5139, 0.1275, 0.3814]\n", + " PeriodicSite: Li (17.47, 0.5117, 16.47) [0.8603, 0.02519, 0.8109]\n", + " PeriodicSite: Li (15.11, 11.1, 7.14) [0.7441, 0.5462, 0.3515]\n", + " PeriodicSite: Li (13.43, 11.61, 16.23) [0.6611, 0.5715, 0.7992]\n", + " PeriodicSite: Li (2.722, 10.37, 17.62) [0.134, 0.5104, 0.8674]\n", + " PeriodicSite: Li (2.171, 10.95, 9.156) [0.1069, 0.5391, 0.4508]\n", + " PeriodicSite: Li (4.845, 17.49, 18.67) [0.2385, 0.8612, 0.9193]\n", + " PeriodicSite: Li (2.03, 18.38, 10.12) [0.09993, 0.9049, 0.4981]\n", + " PeriodicSite: Li (15.29, 6.051, 1.511) [0.7526, 0.2979, 0.07441]\n", + " PeriodicSite: Li (14.39, 7.782, 14.7) [0.7086, 0.3831, 0.7235]\n", + " PeriodicSite: Li (11.67, 14.41, 6.563) [0.5744, 0.7095, 0.3231]\n", + " PeriodicSite: Li (13.97, 18.28, 14.7) [0.6879, 0.8999, 0.7237]\n", + " PeriodicSite: Li (3.881, 5.694, 1.609) [0.1911, 0.2803, 0.07922]\n", + " PeriodicSite: Li (3.063, 4.356, 11.68) [0.1508, 0.2144, 0.5749]\n", + " PeriodicSite: Li (4.924, 17.27, 1.869) [0.2424, 0.8501, 0.09203]\n", + " PeriodicSite: Li (4.012, 17.94, 14.95) [0.1975, 0.883, 0.7361]\n", + " PeriodicSite: Li (17.68, 6.37, 19.72) [0.8705, 0.3136, 0.9707]\n", + " PeriodicSite: Li (12.82, 5.054, 12.51) [0.6311, 0.2488, 0.6157]\n", + " PeriodicSite: Li (14.14, 18.53, 3.978) [0.6959, 0.9124, 0.1959]\n", + " PeriodicSite: Li (10.92, 17.49, 14.77) [0.5378, 0.861, 0.7274]\n", + " PeriodicSite: Li (1.915, 9.102, 0.2505) [0.09429, 0.4481, 0.01233]\n", + " PeriodicSite: Li (4.18, 7.473, 10.47) [0.2058, 0.3679, 0.5156]\n", + " PeriodicSite: Li (2.832, 15.83, 1.153) [0.1394, 0.7793, 0.05677]\n", + " PeriodicSite: Li (3.194, 15.98, 11.77) [0.1572, 0.7867, 0.5795]\n", + " PeriodicSite: Li (12.48, 9.212, 0.5594) [0.6144, 0.4535, 0.02754]\n", + " PeriodicSite: Li (10.61, 7.124, 14.33) [0.5223, 0.3507, 0.7057]\n", + " PeriodicSite: Li (12.39, 15.94, 3.935) [0.61, 0.7848, 0.1937]\n", + " PeriodicSite: Li (13.75, 15.43, 12.5) [0.6772, 0.7597, 0.6155]\n", + " PeriodicSite: Li (1.177, 6.185, 3.233) [0.05793, 0.3045, 0.1592]\n", + " PeriodicSite: Li (18.59, 8.285, 10.1) [0.915, 0.4079, 0.4971]\n", + " PeriodicSite: Li (0.716, 17.33, 3.615) [0.03524, 0.8531, 0.178]\n", + " PeriodicSite: Li (0.02685, 18.72, 12.18) [0.001317, 0.9215, 0.5995]\n", + " PeriodicSite: Li (10.24, 6.964, 3.373) [0.5041, 0.3428, 0.166]\n", + " PeriodicSite: Li (13.62, 9.596, 13.18) [0.6707, 0.4724, 0.6489]\n", + " PeriodicSite: Li (12.71, 17.66, 20.15) [0.6257, 0.8694, 0.9918]\n", + " PeriodicSite: Li (7.979, 16.86, 15.62) [0.3928, 0.8299, 0.769]\n", + " PeriodicSite: Li (4.383, 7.8, 4.219) [0.2158, 0.384, 0.2077]\n", + " PeriodicSite: Li (0.8767, 9.451, 12.43) [0.04316, 0.4653, 0.6121]\n", + " PeriodicSite: Li (1.69, 18.55, 0.9041) [0.08317, 0.9134, 0.04451]\n", + " PeriodicSite: Li (2.976, 20.1, 13.25) [0.1465, 0.9896, 0.6524]\n", + " PeriodicSite: Li (14.96, 8.624, 3.428) [0.7364, 0.4246, 0.1688]\n", + " PeriodicSite: Li (13.13, 7.079, 10.22) [0.6466, 0.3485, 0.5032]\n", + " PeriodicSite: Li (12.44, 20.11, 1.936) [0.6124, 0.9898, 0.09534]\n", + " PeriodicSite: Li (12.83, 16.62, 10.37) [0.6318, 0.818, 0.5107]\n", + " PeriodicSite: Li (6.7, 4.719, 1.621) [0.3299, 0.2323, 0.07979]\n", + " PeriodicSite: Li (4.105, 9.298, 13.03) [0.2021, 0.4577, 0.6413]\n", + " PeriodicSite: Li (4.143, 17.98, 4.334) [0.204, 0.8851, 0.2134]\n", + " PeriodicSite: Li (0.6258, 16.1, 13.21) [0.03081, 0.7924, 0.6501]\n", + " PeriodicSite: Li (13.06, 11.25, 5.459) [0.6429, 0.5539, 0.2688]\n", + " PeriodicSite: Li (15.1, 6.563, 12.14) [0.7433, 0.3231, 0.5979]\n", + " PeriodicSite: Li (15.05, 17.0, 1.789) [0.7409, 0.837, 0.0881]\n", + " PeriodicSite: Li (15.9, 2.342, 14.4) [0.7829, 0.1153, 0.7087]\n", + " PeriodicSite: Li (9.856, 3.602, 3.195) [0.4852, 0.1773, 0.1573]\n", + " PeriodicSite: Li (9.189, 3.575, 13.61) [0.4524, 0.176, 0.6701]\n", + " PeriodicSite: Li (6.811, 10.28, 2.95) [0.3353, 0.5063, 0.1452]\n", + " PeriodicSite: Li (3.181, 11.8, 15.13) [0.1566, 0.5808, 0.7446]\n", + " PeriodicSite: Li (17.12, 1.248, 5.267) [0.8427, 0.06144, 0.2593]\n", + " PeriodicSite: Li (12.43, 3.635, 9.546) [0.6119, 0.1789, 0.47]\n", + " PeriodicSite: Li (18.7, 9.972, 1.642) [0.9207, 0.4909, 0.08086]\n", + " PeriodicSite: Li (17.69, 10.17, 12.6) [0.8709, 0.5008, 0.6205]\n", + " PeriodicSite: Li (6.856, 18.68, 4.413) [0.3375, 0.9195, 0.2173]\n", + " PeriodicSite: Li (6.203, 2.446, 14.61) [0.3054, 0.1204, 0.7191]\n", + " PeriodicSite: Li (7.124, 12.91, 0.1716) [0.3507, 0.6356, 0.008449]\n", + " PeriodicSite: Li (9.773, 13.1, 13.33) [0.4811, 0.6447, 0.6561]\n", + " PeriodicSite: Li (16.01, 0.1666, 3.022) [0.7884, 0.008193, 0.1488]\n", + " PeriodicSite: Li (18.42, 2.031, 10.61) [0.9068, 0.09996, 0.5225]\n", + " PeriodicSite: Li (17.9, 11.01, 4.285) [0.8811, 0.542, 0.211]\n", + " PeriodicSite: Li (17.12, 15.26, 12.33) [0.843, 0.7515, 0.6068]\n", + " PeriodicSite: Li (8.838, 5.667, 6.382) [0.4351, 0.279, 0.3142]\n", + " PeriodicSite: Li (9.557, 1.078, 12.29) [0.4705, 0.05307, 0.6049]\n", + " PeriodicSite: Li (8.923, 12.82, 5.397) [0.4393, 0.6309, 0.2657]\n", + " PeriodicSite: Li (7.284, 13.99, 10.37) [0.3586, 0.6888, 0.5107]\n", + " PeriodicSite: Li (19.92, 2.939, 2.973) [0.9805, 0.1447, 0.1464]\n", + " PeriodicSite: Li (19.6, 4.314, 12.96) [0.9648, 0.2124, 0.6379]\n", + " PeriodicSite: Li (16.17, 14.35, 2.4) [0.7958, 0.7065, 0.1182]\n", + " PeriodicSite: Li (15.46, 11.93, 13.49) [0.7613, 0.5875, 0.6641]\n", + " PeriodicSite: Li (2.97, 20.04, 3.591) [0.1462, 0.9864, 0.1768]\n", + " PeriodicSite: Li (5.982, 0.1174, 13.06) [0.2945, 0.005777, 0.6428]\n", + " PeriodicSite: Li (5.59, 14.29, 2.202) [0.2752, 0.7033, 0.1084]\n", + " PeriodicSite: Li (7.324, 8.73, 15.07) [0.3606, 0.4298, 0.742]\n", + " PeriodicSite: Li (18.01, 4.374, 3.479) [0.8866, 0.2153, 0.1713]\n", + " PeriodicSite: Li (16.65, 19.61, 13.5) [0.8195, 0.9656, 0.6644]\n", + " PeriodicSite: Li (17.15, 13.25, 20.25) [0.8444, 0.6525, 0.9968]\n", + " PeriodicSite: Li (19.18, 12.84, 11.28) [0.9444, 0.6322, 0.5553]\n", + " PeriodicSite: Li (6.905, 3.08, 19.97) [0.3399, 0.1517, 0.9832]\n", + " PeriodicSite: Li (5.531, 2.977, 10.58) [0.2723, 0.1466, 0.5209]\n", + " PeriodicSite: Li (9.535, 12.25, 2.324) [0.4694, 0.603, 0.1144]\n", + " PeriodicSite: Li (8.17, 10.7, 11.52) [0.4022, 0.527, 0.5674]\n", + " PeriodicSite: Li (15.72, 3.038, 2.051) [0.774, 0.1496, 0.101]\n", + " PeriodicSite: Li (15.34, 3.031, 11.42) [0.7552, 0.1492, 0.5621]\n", + " PeriodicSite: Li (1.271, 12.32, 20.22) [0.06258, 0.6067, 0.9954]\n", + " PeriodicSite: Li (19.46, 12.99, 14.38) [0.9582, 0.6395, 0.7077]\n", + " PeriodicSite: Li (9.171, 0.6146, 2.22) [0.4515, 0.03025, 0.1093]\n", + " PeriodicSite: Li (8.144, 1.845, 10.04) [0.4009, 0.09083, 0.4941]\n", + " PeriodicSite: Li (5.526, 12.5, 4.595) [0.2721, 0.6152, 0.2262]\n", + " PeriodicSite: Li (6.114, 15.23, 12.13) [0.301, 0.7496, 0.5971]\n", + " PeriodicSite: Li (17.73, 2.959, 0.5592) [0.8728, 0.1457, 0.02753]\n", + " PeriodicSite: Li (1.937, 7.048, 15.02) [0.09535, 0.347, 0.7397]\n", + " PeriodicSite: Li (3.408, 15.16, 8.274) [0.1678, 0.7463, 0.4073]\n", + " PeriodicSite: Li (15.91, 12.83, 10.89) [0.7832, 0.6317, 0.5363]\n", + " PeriodicSite: Li (12.39, 7.312, 4.808) [0.61, 0.36, 0.2367]\n", + " PeriodicSite: Li (5.37, 9.032, 17.06) [0.2644, 0.4446, 0.8398]\n", + " PeriodicSite: Li (5.892, 17.16, 9.246) [0.2901, 0.845, 0.4552]\n", + " PeriodicSite: Li (7.143, 15.87, 19.66) [0.3517, 0.7812, 0.968]\n", + " PeriodicSite: Li (15.6, 8.085, 6.588) [0.7681, 0.398, 0.3243]\n", + " PeriodicSite: Li (2.535, 5.349, 18.62) [0.1248, 0.2634, 0.9168]\n", + " PeriodicSite: Li (17.09, 18.41, 5.464) [0.8411, 0.9061, 0.269]\n", + " PeriodicSite: Li (19.86, 18.5, 18.48) [0.9778, 0.9106, 0.9096]\n", + " PeriodicSite: Li (7.037, 8.145, 5.278) [0.3465, 0.401, 0.2599]\n", + " PeriodicSite: Li (8.567, 5.474, 17.11) [0.4218, 0.2695, 0.8422]\n", + " PeriodicSite: Li (7.989, 20.18, 7.95) [0.3933, 0.9933, 0.3914]\n", + " PeriodicSite: Li (6.833, 20.09, 16.3) [0.3364, 0.9891, 0.8023]\n", + " PeriodicSite: Li (18.05, 10.14, 7.528) [0.8886, 0.4994, 0.3706]\n", + " PeriodicSite: Li (18.26, 7.08, 15.1) [0.8988, 0.3486, 0.7433]\n", + " PeriodicSite: Li (18.49, 19.54, 8.172) [0.9103, 0.9618, 0.4023]\n", + " PeriodicSite: Li (18.52, 15.52, 17.41) [0.9118, 0.7642, 0.8569]\n", + " PeriodicSite: Li (6.0, 5.964, 7.865) [0.2954, 0.2936, 0.3872]\n", + " PeriodicSite: Li (6.006, 6.459, 18.7) [0.2957, 0.318, 0.9209]\n", + " PeriodicSite: Li (8.936, 17.94, 9.501) [0.4399, 0.8833, 0.4677]\n", + " PeriodicSite: Li (8.755, 14.07, 16.5) [0.431, 0.6928, 0.8122]\n", + " PeriodicSite: Li (0.1209, 7.482, 7.638) [0.005951, 0.3684, 0.376]\n", + " PeriodicSite: Li (18.86, 4.584, 17.01) [0.9283, 0.2257, 0.8374]\n", + " PeriodicSite: Li (16.06, 17.28, 9.75) [0.7909, 0.8505, 0.48]\n", + " PeriodicSite: Li (17.27, 16.25, 19.84) [0.85, 0.7999, 0.9769]\n", + " PeriodicSite: Li (9.821, 8.9, 8.297) [0.4835, 0.4381, 0.4085]\n", + " PeriodicSite: Li (9.091, 7.624, 19.95) [0.4475, 0.3753, 0.982]\n", + " PeriodicSite: Li (5.315, 18.98, 6.931) [0.2617, 0.9346, 0.3412]\n", + " PeriodicSite: Li (8.162, 14.92, 3.364) [0.4018, 0.7347, 0.1656]\n", + " PeriodicSite: Li (16.65, 6.173, 9.623) [0.8197, 0.3039, 0.4738]\n", + " PeriodicSite: Li (18.83, 10.06, 18.29) [0.9271, 0.4951, 0.9005]\n", + " PeriodicSite: Li (15.04, 18.06, 6.968) [0.7405, 0.8891, 0.343]\n", + " PeriodicSite: Li (15.3, 18.56, 17.3) [0.7531, 0.9135, 0.8518]\n", + " PeriodicSite: Li (6.3, 5.524, 11.78) [0.3102, 0.2719, 0.5798]\n", + " PeriodicSite: Li (8.144, 10.13, 18.24) [0.401, 0.4986, 0.8977]\n", + " PeriodicSite: Li (9.455, 17.74, 6.102) [0.4655, 0.8731, 0.3004]\n", + " PeriodicSite: Li (10.49, 17.94, 1.65) [0.5164, 0.8833, 0.08125]\n", + " PeriodicSite: Li (17.88, 7.903, 5.206) [0.8803, 0.3891, 0.2563]\n", + " PeriodicSite: Li (15.55, 3.073, 18.27) [0.7654, 0.1513, 0.8997]\n", + " PeriodicSite: Li (19.59, 16.79, 6.924) [0.9645, 0.8265, 0.3409]\n", + " PeriodicSite: Li (18.65, 0.3068, 1.333) [0.918, 0.0151, 0.06563]\n", + " PeriodicSite: Li (3.479, 10.15, 2.933) [0.1713, 0.4999, 0.1444]\n", + " PeriodicSite: Li (10.27, 8.116, 17.47) [0.5056, 0.3995, 0.8603]\n", + " PeriodicSite: Li (7.799, 15.53, 7.53) [0.384, 0.7646, 0.3707]\n", + " PeriodicSite: Li (8.258, 19.5, 19.45) [0.4065, 0.9599, 0.9573]\n", + " PeriodicSite: Li (18.65, 5.24, 7.042) [0.9184, 0.258, 0.3467]\n", + " PeriodicSite: Li (16.73, 12.11, 15.25) [0.8236, 0.5963, 0.7509]\n", + " PeriodicSite: Li (17.94, 13.44, 4.696) [0.8834, 0.6618, 0.2312]\n", + " PeriodicSite: Li (13.65, 0.7663, 14.06) [0.6718, 0.03772, 0.6921]\n", + " PeriodicSite: Cl (7.412, 12.79, 12.71) [0.3649, 0.6294, 0.6255]\n", + " PeriodicSite: Cl (2.328, 12.67, 17.99) [0.1146, 0.6238, 0.8855]\n", + " PeriodicSite: Cl (12.4, 17.26, 12.77) [0.6107, 0.8499, 0.6287]\n", + " PeriodicSite: Cl (17.44, 7.178, 17.61) [0.8588, 0.3534, 0.867]\n", + " PeriodicSite: Cl (7.892, 2.479, 2.321) [0.3885, 0.1221, 0.1143]\n", + " PeriodicSite: Cl (7.874, 7.514, 7.485) [0.3876, 0.3699, 0.3685]\n", + " PeriodicSite: Cl (12.67, 12.61, 7.581) [0.6239, 0.6209, 0.3732]\n", + " PeriodicSite: Cl (2.777, 7.709, 2.365) [0.1367, 0.3795, 0.1165]\n", + " PeriodicSite: Cl (2.5, 7.409, 12.35) [0.1231, 0.3647, 0.6079]\n", + " PeriodicSite: Cl (12.74, 13.04, 18.07) [0.6274, 0.6418, 0.8896]\n", + " PeriodicSite: Cl (17.62, 17.64, 17.84) [0.8676, 0.8682, 0.8785]\n", + " PeriodicSite: Cl (2.235, 2.563, 7.529) [0.11, 0.1262, 0.3707]\n", + " PeriodicSite: Cl (12.73, 2.638, 18.22) [0.6266, 0.1299, 0.8969]\n", + " PeriodicSite: Cl (12.9, 7.886, 2.517) [0.635, 0.3883, 0.1239]\n", + " PeriodicSite: Cl (17.17, 2.333, 12.57) [0.8452, 0.1149, 0.6188]\n", + " PeriodicSite: Cl (7.165, 17.75, 17.89) [0.3527, 0.8739, 0.8805]\n", + " PeriodicSite: Cl (0.1091, 20.23, 20.12) [0.005366, 0.9959, 0.9907]\n", + " PeriodicSite: Cl (20.1, 19.91, 10.06) [0.9896, 0.9803, 0.4954]\n", + " PeriodicSite: Cl (0.07085, 10.44, 20.04) [0.003489, 0.5139, 0.9867]\n", + " PeriodicSite: Cl (0.1534, 9.694, 10.29) [0.007551, 0.4772, 0.5065]\n", + " PeriodicSite: Cl (10.42, 19.97, 0.3027) [0.513, 0.9831, 0.01491]\n", + " PeriodicSite: Cl (9.645, 0.0445, 9.817) [0.4748, 0.002187, 0.4833]\n", + " PeriodicSite: Cl (10.28, 10.11, 19.67) [0.5062, 0.4977, 0.9683]\n", + " PeriodicSite: Cl (10.61, 10.22, 9.954) [0.5224, 0.5031, 0.49]\n", + " PeriodicSite: Cl (19.99, 5.129, 5.091) [0.9841, 0.2525, 0.2507]\n", + " PeriodicSite: Cl (20.25, 5.432, 15.26) [0.997, 0.2674, 0.7513]\n", + " PeriodicSite: Cl (20.1, 14.97, 5.176) [0.9897, 0.7372, 0.2548]\n", + " PeriodicSite: Cl (20.2, 15.39, 15.6) [0.9944, 0.7579, 0.768]\n", + " PeriodicSite: Cl (10.55, 5.365, 4.938) [0.5195, 0.2641, 0.2431]\n", + " PeriodicSite: Cl (10.13, 5.219, 15.34) [0.4986, 0.2569, 0.7553]\n", + " PeriodicSite: Cl (9.877, 15.07, 5.326) [0.4862, 0.7418, 0.2622]\n", + " PeriodicSite: Cl (9.8, 15.55, 14.93) [0.4825, 0.7654, 0.735]\n", + " PeriodicSite: S (5.063, 20.1, 4.757) [0.2492, 0.9894, 0.2342]\n", + " PeriodicSite: S (4.911, 0.3057, 15.09) [0.2418, 0.01505, 0.7429]\n", + " PeriodicSite: S (4.838, 10.05, 4.904) [0.2382, 0.495, 0.2415]\n", + " PeriodicSite: S (4.928, 10.28, 15.12) [0.2426, 0.5059, 0.7442]\n", + " PeriodicSite: S (15.17, 20.19, 5.151) [0.7469, 0.9942, 0.2536]\n", + " PeriodicSite: S (15.36, 0.0145, 15.33) [0.7561, 0.0007079, 0.7548]\n", + " PeriodicSite: S (15.63, 10.22, 5.098) [0.7696, 0.5032, 0.251]\n", + " PeriodicSite: S (15.0, 10.24, 15.11) [0.7386, 0.504, 0.744]\n", + " PeriodicSite: S (5.244, 4.827, 20.26) [0.2582, 0.2376, 0.9974]\n", + " PeriodicSite: S (4.952, 5.071, 9.906) [0.2438, 0.2496, 0.4877]\n", + " PeriodicSite: S (4.938, 15.37, 0.1911) [0.2431, 0.7568, 0.009413]\n", + " PeriodicSite: S (4.933, 15.19, 10.24) [0.2428, 0.748, 0.5044]\n", + " PeriodicSite: S (15.74, 4.572, 20.14) [0.7749, 0.2251, 0.9915]\n", + " PeriodicSite: S (14.79, 4.973, 10.24) [0.728, 0.2448, 0.504]\n", + " PeriodicSite: S (15.39, 14.99, 0.2546) [0.7577, 0.7379, 0.01254]\n", + " PeriodicSite: S (15.1, 15.08, 10.43) [0.7436, 0.7423, 0.5136]\n", + " PeriodicSite: S (8.926, 4.13, 8.635) [0.4394, 0.2033, 0.4251]\n", + " PeriodicSite: S (9.032, 4.211, 19.33) [0.4447, 0.2073, 0.9518]\n", + " PeriodicSite: S (8.929, 13.9, 8.775) [0.4396, 0.6841, 0.432]\n", + " PeriodicSite: S (8.916, 14.02, 19.12) [0.4389, 0.6902, 0.9414]\n", + " PeriodicSite: S (18.85, 3.364, 8.758) [0.9281, 0.1656, 0.4312]\n", + " PeriodicSite: S (19.45, 3.6, 19.38) [0.9574, 0.1772, 0.9542]\n", + " PeriodicSite: S (18.81, 14.45, 9.675) [0.9263, 0.7116, 0.4763]\n", + " PeriodicSite: S (19.41, 14.26, 19.21) [0.9556, 0.7023, 0.9455]\n", + " PeriodicSite: S (4.463, 1.318, 1.328) [0.2197, 0.06488, 0.06538]\n", + " PeriodicSite: S (3.834, 1.271, 11.17) [0.1888, 0.0626, 0.5498]\n", + " PeriodicSite: S (3.452, 11.01, 0.7588) [0.17, 0.5421, 0.03736]\n", + " PeriodicSite: S (3.449, 11.35, 11.17) [0.1698, 0.5585, 0.5497]\n", + " PeriodicSite: S (14.25, 1.19, 1.385) [0.7014, 0.05857, 0.06818]\n", + " PeriodicSite: S (13.67, 1.194, 11.57) [0.673, 0.05877, 0.5696]\n", + " PeriodicSite: S (14.23, 10.88, 1.367) [0.7007, 0.5357, 0.06731]\n", + " PeriodicSite: S (14.4, 11.12, 11.2) [0.7088, 0.5472, 0.5515]\n", + " PeriodicSite: S (6.11, 1.373, 8.678) [0.3008, 0.06758, 0.4272]\n", + " PeriodicSite: S (6.363, 1.095, 18.79) [0.3133, 0.05392, 0.925]\n", + " PeriodicSite: S (6.507, 11.63, 9.3) [0.3203, 0.5728, 0.4578]\n", + " PeriodicSite: S (6.196, 11.38, 18.92) [0.305, 0.5601, 0.9313]\n", + " PeriodicSite: S (16.11, 1.26, 8.991) [0.793, 0.06201, 0.4426]\n", + " PeriodicSite: S (16.33, 1.198, 19.01) [0.804, 0.05896, 0.9359]\n", + " PeriodicSite: S (16.8, 11.35, 9.182) [0.8272, 0.5587, 0.452]\n", + " PeriodicSite: S (16.51, 11.02, 19.1) [0.8128, 0.5424, 0.9401]\n", + " PeriodicSite: S (1.405, 4.08, 1.423) [0.06919, 0.2009, 0.07008]\n", + " PeriodicSite: S (0.6513, 3.366, 11.2) [0.03207, 0.1657, 0.5512]\n", + " PeriodicSite: S (0.9134, 14.21, 1.367) [0.04496, 0.6998, 0.0673]\n", + " PeriodicSite: S (1.018, 14.38, 11.74) [0.05011, 0.708, 0.5781]\n", + " PeriodicSite: S (11.56, 4.096, 1.544) [0.5693, 0.2016, 0.07599]\n", + " PeriodicSite: S (10.8, 3.678, 11.3) [0.5316, 0.1811, 0.5565]\n", + " PeriodicSite: S (11.38, 13.97, 1.243) [0.5601, 0.6877, 0.0612]\n", + " PeriodicSite: S (11.12, 13.83, 11.37) [0.5476, 0.681, 0.5599]\n", + " PeriodicSite: S (2.837, 3.085, 17.8) [0.1397, 0.1519, 0.8761]\n", + " PeriodicSite: S (2.507, 12.75, 7.745) [0.1234, 0.6279, 0.3813]\n", + " PeriodicSite: S (12.74, 2.474, 7.363) [0.6271, 0.1218, 0.3625]\n", + " PeriodicSite: S (8.896, 8.909, 3.758) [0.438, 0.4386, 0.185]\n", + " PeriodicSite: S (9.026, 9.529, 13.72) [0.4444, 0.4691, 0.6756]\n", + " PeriodicSite: S (9.166, 18.96, 3.868) [0.4512, 0.9332, 0.1904]\n", + " PeriodicSite: S (9.503, 19.37, 14.14) [0.4679, 0.9535, 0.6959]\n", + " PeriodicSite: S (19.31, 9.189, 3.931) [0.9507, 0.4524, 0.1935]\n", + " PeriodicSite: S (19.4, 8.92, 13.73) [0.9553, 0.4391, 0.6757]\n", + " PeriodicSite: S (18.84, 18.99, 3.947) [0.9275, 0.9349, 0.1943]\n", + " PeriodicSite: S (18.91, 19.47, 14.4) [0.931, 0.9587, 0.7091]\n", + " PeriodicSite: S (4.054, 6.338, 6.291) [0.1996, 0.312, 0.3097]\n", + " PeriodicSite: S (4.365, 6.693, 16.62) [0.2149, 0.3295, 0.8184]\n", + " PeriodicSite: S (3.767, 16.3, 6.179) [0.1854, 0.8024, 0.3042]\n", + " PeriodicSite: S (3.762, 16.32, 16.63) [0.1852, 0.8034, 0.8185]\n", + " PeriodicSite: S (13.98, 6.356, 6.12) [0.6882, 0.3129, 0.3013]\n", + " PeriodicSite: S (13.6, 6.118, 16.15) [0.6698, 0.3012, 0.7952]\n", + " PeriodicSite: S (13.62, 16.21, 6.261) [0.6703, 0.7981, 0.3082]\n", + " PeriodicSite: S (13.76, 16.47, 16.3) [0.6776, 0.8107, 0.8025]\n", + " PeriodicSite: S (5.992, 6.317, 3.702) [0.295, 0.311, 0.1823]\n", + " PeriodicSite: S (6.191, 6.781, 13.65) [0.3048, 0.3338, 0.6719]\n", + " PeriodicSite: S (6.189, 16.49, 3.896) [0.3047, 0.8118, 0.1918]\n", + " PeriodicSite: S (6.076, 16.31, 14.23) [0.2991, 0.8031, 0.7003]\n", + " PeriodicSite: S (16.46, 6.328, 3.873) [0.8103, 0.3115, 0.1907]\n", + " PeriodicSite: S (16.25, 6.537, 14.16) [0.8001, 0.3218, 0.6969]\n", + " PeriodicSite: S (16.31, 15.89, 4.14) [0.8028, 0.7821, 0.2038]\n", + " PeriodicSite: S (16.15, 16.51, 14.11) [0.7952, 0.8126, 0.6948]\n", + " PeriodicSite: S (1.374, 9.21, 6.564) [0.06763, 0.4534, 0.3232]\n", + " PeriodicSite: S (1.276, 9.11, 16.1) [0.06282, 0.4485, 0.7924]\n", + " PeriodicSite: S (0.831, 18.99, 6.546) [0.0409, 0.935, 0.3223]\n", + " PeriodicSite: S (1.112, 19.78, 16.81) [0.05474, 0.9739, 0.8275]\n", + " PeriodicSite: S (11.53, 9.106, 6.106) [0.5676, 0.4483, 0.3006]\n", + " PeriodicSite: S (11.46, 9.229, 16.03) [0.5643, 0.4543, 0.7893]\n", + " PeriodicSite: S (11.67, 19.38, 6.182) [0.5746, 0.954, 0.3044]\n", + " PeriodicSite: S (12.04, 19.13, 16.32) [0.5927, 0.942, 0.8036]\n", + " PeriodicSite: S (2.706, 17.79, 2.66) [0.1332, 0.876, 0.1309]\n", + " PeriodicSite: S (2.106, 18.07, 13.03) [0.1037, 0.8898, 0.6413]\n", + " PeriodicSite: S (12.69, 7.556, 12.74) [0.6245, 0.372, 0.6274]\n", + " PeriodicSite: S (12.85, 17.6, 2.206) [0.6326, 0.8667, 0.1086]\n", + " PeriodicSite: S (3.82, 3.686, 4.092) [0.1881, 0.1814, 0.2014]\n", + " PeriodicSite: S (3.756, 4.444, 14.16) [0.1849, 0.2188, 0.6973]\n", + " PeriodicSite: S (3.981, 13.86, 3.977) [0.196, 0.6825, 0.1958]\n", + " PeriodicSite: S (3.883, 13.92, 14.22) [0.1912, 0.6851, 0.7001]\n", + " PeriodicSite: S (14.21, 3.885, 3.856) [0.6997, 0.1913, 0.1898]\n", + " PeriodicSite: S (14.13, 3.804, 14.01) [0.6954, 0.1873, 0.6898]\n", + " PeriodicSite: S (13.62, 13.65, 4.262) [0.6705, 0.6721, 0.2099]\n", + " PeriodicSite: S (13.88, 14.03, 14.31) [0.6834, 0.6908, 0.7043]\n", + " PeriodicSite: S (8.985, 1.149, 6.18) [0.4423, 0.05654, 0.3043]\n", + " PeriodicSite: S (9.161, 0.6437, 16.97) [0.451, 0.03169, 0.8353]\n", + " PeriodicSite: S (8.596, 10.79, 6.676) [0.4232, 0.5314, 0.3286]\n", + " PeriodicSite: S (8.914, 11.6, 16.38) [0.4388, 0.5709, 0.8064]\n", + " PeriodicSite: S (19.06, 1.3, 6.563) [0.9381, 0.06397, 0.3231]\n", + " PeriodicSite: S (19.15, 1.986, 16.14) [0.943, 0.09776, 0.7945]\n", + " PeriodicSite: S (19.32, 11.62, 6.232) [0.9511, 0.5722, 0.3068]\n", + " PeriodicSite: S (19.1, 11.37, 16.16) [0.9402, 0.56, 0.7958]\n", + " PeriodicSite: S (1.061, 1.112, 4.135) [0.05223, 0.05472, 0.2036]\n", + " PeriodicSite: S (1.416, 1.394, 14.0) [0.06972, 0.06862, 0.6892]\n", + " PeriodicSite: S (1.53, 11.35, 3.934) [0.07533, 0.559, 0.1937]\n", + " PeriodicSite: S (0.9158, 11.57, 13.92) [0.04509, 0.5695, 0.6854]\n", + " PeriodicSite: S (11.11, 1.407, 3.799) [0.5469, 0.06924, 0.187]\n", + " PeriodicSite: S (11.37, 1.861, 14.55) [0.5596, 0.09163, 0.7165]\n", + " PeriodicSite: S (10.76, 11.76, 4.339) [0.5298, 0.5791, 0.2136]\n", + " PeriodicSite: S (11.61, 11.95, 14.35) [0.5714, 0.5883, 0.7063]\n", + " PeriodicSite: S (6.727, 4.01, 6.088) [0.3312, 0.1974, 0.2997]\n", + " PeriodicSite: S (6.429, 4.226, 15.94) [0.3165, 0.2081, 0.7846]\n", + " PeriodicSite: S (6.26, 14.08, 6.199) [0.3082, 0.6933, 0.3052]\n", + " PeriodicSite: S (6.273, 14.39, 16.91) [0.3088, 0.7085, 0.8325]\n", + " PeriodicSite: S (16.55, 4.058, 6.37) [0.8146, 0.1998, 0.3136]\n", + " PeriodicSite: S (16.33, 3.961, 16.46) [0.8038, 0.195, 0.8105]\n", + " PeriodicSite: S (15.66, 13.51, 6.748) [0.771, 0.6652, 0.3322]\n", + " PeriodicSite: S (16.38, 14.1, 16.63) [0.8064, 0.6941, 0.8187]\n", + " PeriodicSite: S (7.406, 2.308, 12.3) [0.3646, 0.1136, 0.6058]\n", + " PeriodicSite: S (7.305, 12.85, 2.524) [0.3596, 0.6326, 0.1243]\n", + " PeriodicSite: S (17.58, 2.23, 2.62) [0.8653, 0.1098, 0.129]\n", + " PeriodicSite: S (17.59, 12.57, 2.419) [0.8659, 0.6187, 0.1191]\n", + " PeriodicSite: S (17.7, 12.5, 12.84) [0.8715, 0.6154, 0.6322]\n", + " PeriodicSite: S (4.231, 9.173, 8.564) [0.2083, 0.4516, 0.4216]\n", + " PeriodicSite: S (4.005, 8.745, 19.04) [0.1972, 0.4305, 0.9374]\n", + " PeriodicSite: S (3.771, 19.28, 8.774) [0.1857, 0.9493, 0.432]\n", + " PeriodicSite: S (3.701, 19.45, 19.27) [0.1822, 0.9574, 0.9487]\n", + " PeriodicSite: S (14.17, 8.94, 8.756) [0.6978, 0.4401, 0.4311]\n", + " PeriodicSite: S (14.1, 8.555, 19.26) [0.6943, 0.4212, 0.9484]\n", + " PeriodicSite: S (13.81, 19.08, 9.023) [0.6796, 0.9395, 0.4442]\n", + " PeriodicSite: S (13.82, 19.45, 19.23) [0.6803, 0.9576, 0.9468]\n", + " PeriodicSite: S (9.001, 6.067, 1.542) [0.4431, 0.2987, 0.0759]\n", + " PeriodicSite: S (8.89, 6.436, 11.14) [0.4377, 0.3168, 0.5486]\n", + " PeriodicSite: S (8.753, 16.13, 1.214) [0.4309, 0.794, 0.05977]\n", + " PeriodicSite: S (8.562, 15.95, 11.4) [0.4215, 0.7852, 0.5612]\n", + " PeriodicSite: S (18.97, 5.899, 1.607) [0.9341, 0.2904, 0.07911]\n", + " PeriodicSite: S (18.79, 6.008, 11.2) [0.9251, 0.2958, 0.5514]\n", + " PeriodicSite: S (18.94, 16.65, 1.345) [0.9326, 0.8199, 0.0662]\n", + " PeriodicSite: S (19.22, 16.95, 11.49) [0.946, 0.8344, 0.5655]\n", + " PeriodicSite: S (0.8056, 5.592, 8.582) [0.03966, 0.2753, 0.4225]\n", + " PeriodicSite: S (0.7214, 6.563, 19.56) [0.03552, 0.3231, 0.9632]\n", + " PeriodicSite: S (1.144, 16.2, 8.958) [0.05631, 0.7973, 0.441]\n", + " PeriodicSite: S (1.228, 16.73, 19.61) [0.06046, 0.8236, 0.9655]\n", + " PeriodicSite: S (11.4, 6.123, 8.805) [0.5613, 0.3015, 0.4335]\n", + " PeriodicSite: S (11.34, 6.616, 19.39) [0.5582, 0.3257, 0.9546]\n", + " PeriodicSite: S (10.97, 16.3, 9.003) [0.5401, 0.8023, 0.4432]\n", + " PeriodicSite: S (11.42, 16.28, 19.12) [0.5621, 0.8013, 0.9414]\n", + " PeriodicSite: S (6.131, 9.043, 1.153) [0.3018, 0.4452, 0.05678]\n", + " PeriodicSite: S (5.927, 9.416, 11.61) [0.2918, 0.4635, 0.5718]\n", + " PeriodicSite: S (6.434, 19.07, 0.9732) [0.3168, 0.9386, 0.04791]\n", + " PeriodicSite: S (6.348, 19.16, 10.95) [0.3125, 0.9434, 0.5391]\n", + " PeriodicSite: S (16.74, 8.526, 1.077) [0.824, 0.4197, 0.05301]\n", + " PeriodicSite: S (16.4, 8.537, 11.09) [0.8074, 0.4203, 0.5457]\n", + " PeriodicSite: S (16.27, 18.94, 0.996) [0.8011, 0.9322, 0.04904]\n", + " PeriodicSite: S (16.1, 19.01, 11.24) [0.7926, 0.9357, 0.5534]\n", + " PeriodicSite: S (7.79, 7.81, 17.44) [0.3835, 0.3845, 0.8587]\n", + " PeriodicSite: S (7.533, 17.97, 7.648) [0.3709, 0.8847, 0.3765]\n", + " PeriodicSite: S (18.04, 7.546, 7.632) [0.8883, 0.3715, 0.3758]\n", + " PeriodicSite: S (17.31, 17.47, 7.643) [0.8522, 0.8602, 0.3763]\n", + " PeriodicSite: P (5.208, 0.08719, 20.25) [0.2564, 0.004291, 0.9968]\n", + " PeriodicSite: P (5.046, 0.07703, 9.87) [0.2484, 0.003791, 0.4859]\n", + " PeriodicSite: P (5.057, 10.1, 20.21) [0.249, 0.4971, 0.9951]\n", + " PeriodicSite: P (4.999, 10.38, 10.08) [0.2461, 0.5109, 0.4965]\n", + " PeriodicSite: P (15.28, 0.1196, 0.03871) [0.7521, 0.005883, 0.00191]\n", + " PeriodicSite: P (15.04, 0.03506, 10.32) [0.7404, 0.00172, 0.5083]\n", + " PeriodicSite: P (15.34, 9.735, 0.008881) [0.7554, 0.4793, 0.0004422]\n", + " PeriodicSite: P (15.46, 9.912, 9.954) [0.7612, 0.488, 0.49]\n", + " PeriodicSite: P (5.101, 4.985, 5.091) [0.2511, 0.2454, 0.2507]\n", + " PeriodicSite: P (5.26, 5.667, 15.04) [0.2589, 0.279, 0.7403]\n", + " PeriodicSite: P (4.999, 15.26, 5.119) [0.2461, 0.7512, 0.252]\n", + " PeriodicSite: P (4.98, 15.14, 15.41) [0.2452, 0.7456, 0.7589]\n", + " PeriodicSite: P (15.24, 5.206, 5.063) [0.7501, 0.2563, 0.2493]\n", + " PeriodicSite: P (15.1, 5.079, 15.2) [0.7434, 0.25, 0.7485]\n", + " PeriodicSite: P (14.91, 14.94, 5.309) [0.7342, 0.7354, 0.2614]\n", + " PeriodicSite: P (15.21, 15.27, 15.29) [0.749, 0.7519, 0.7527]\n", + " PeriodicSite: P (19.99, 20.22, 5.242) [0.984, 0.9956, 0.2581]\n", + " PeriodicSite: P (20.31, 0.3989, 15.19) [1.0, 0.01963, 0.7481]\n", + " PeriodicSite: P (0.2148, 10.36, 5.201) [0.01057, 0.5101, 0.256]\n", + " PeriodicSite: P (20.23, 10.21, 15.04) [0.9958, 0.5024, 0.7405]\n", + " PeriodicSite: P (10.27, 0.02362, 5.057) [0.5058, 0.001158, 0.249]\n", + " PeriodicSite: P (10.6, 0.2087, 15.48) [0.5219, 0.01027, 0.7622]\n", + " PeriodicSite: P (9.896, 10.14, 5.07) [0.4872, 0.4994, 0.2496]\n", + " PeriodicSite: P (10.2, 10.59, 15.09) [0.5021, 0.5214, 0.7429]\n", + " PeriodicSite: P (20.31, 5.112, 0.3623) [0.9996, 0.2517, 0.01784]\n", + " PeriodicSite: P (19.89, 4.734, 9.917) [0.9791, 0.2331, 0.4883]\n", + " PeriodicSite: P (20.16, 15.48, 0.2682) [0.9924, 0.7621, 0.01321]\n", + " PeriodicSite: P (20.29, 15.56, 10.46) [0.9988, 0.7659, 0.5151]\n", + " PeriodicSite: P (10.39, 5.162, 0.3238) [0.5113, 0.2541, 0.01594]\n", + " PeriodicSite: P (9.938, 5.125, 10.08) [0.4893, 0.2523, 0.4963]\n", + " PeriodicSite: P (10.2, 15.12, 0.07023) [0.5022, 0.7446, 0.003462]\n", + " PeriodicSite: P (9.927, 15.07, 10.21) [0.4887, 0.7421, 0.5025],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.6856, 2.809, 5.401) [0.03375, 0.1383, 0.2659]\n", + " PeriodicSite: Li (0.8102, 3.442, 15.7) [0.03989, 0.1695, 0.7731]\n", + " PeriodicSite: Li (2.939, 13.33, 10.3) [0.1447, 0.6562, 0.5071]\n", + " PeriodicSite: Li (1.768, 14.89, 17.77) [0.08701, 0.7331, 0.875]\n", + " PeriodicSite: Li (14.37, 0.642, 7.347) [0.7077, 0.0316, 0.3617]\n", + " PeriodicSite: Li (12.33, 4.338, 15.5) [0.6071, 0.2136, 0.7629]\n", + " PeriodicSite: Li (15.34, 12.21, 3.704) [0.7554, 0.6012, 0.1823]\n", + " PeriodicSite: Li (15.8, 9.157, 16.8) [0.778, 0.4508, 0.8269]\n", + " PeriodicSite: Li (3.317, 4.329, 8.325) [0.1633, 0.2131, 0.4099]\n", + " PeriodicSite: Li (3.69, 0.3172, 17.2) [0.1817, 0.01562, 0.8467]\n", + " PeriodicSite: Li (6.22, 9.264, 7.392) [0.3062, 0.4561, 0.3639]\n", + " PeriodicSite: Li (5.926, 11.21, 13.24) [0.2917, 0.5519, 0.6519]\n", + " PeriodicSite: Li (12.88, 4.735, 5.916) [0.6342, 0.2331, 0.2912]\n", + " PeriodicSite: Li (14.46, 6.34, 19.27) [0.712, 0.3121, 0.9485]\n", + " PeriodicSite: Li (10.98, 7.901, 10.81) [0.5404, 0.389, 0.5324]\n", + " PeriodicSite: Li (12.32, 15.33, 16.26) [0.6066, 0.7545, 0.8005]\n", + " PeriodicSite: Li (2.798, 19.96, 6.425) [0.1378, 0.9828, 0.3163]\n", + " PeriodicSite: Li (3.239, 2.312, 15.32) [0.1595, 0.1138, 0.7543]\n", + " PeriodicSite: Li (3.466, 10.96, 6.492) [0.1706, 0.5396, 0.3196]\n", + " PeriodicSite: Li (6.572, 11.91, 16.37) [0.3236, 0.5862, 0.8061]\n", + " PeriodicSite: Li (11.79, 0.5465, 8.218) [0.5805, 0.0269, 0.4046]\n", + " PeriodicSite: Li (10.86, 1.357, 18.96) [0.5347, 0.06678, 0.9335]\n", + " PeriodicSite: Li (13.42, 14.55, 9.793) [0.6606, 0.7164, 0.4821]\n", + " PeriodicSite: Li (10.64, 12.12, 18.98) [0.524, 0.5968, 0.9344]\n", + " PeriodicSite: Li (0.2432, 2.107, 8.417) [0.01197, 0.1038, 0.4144]\n", + " PeriodicSite: Li (3.035, 3.176, 19.72) [0.1494, 0.1563, 0.9706]\n", + " PeriodicSite: Li (20.27, 13.24, 7.609) [0.9979, 0.652, 0.3746]\n", + " PeriodicSite: Li (4.681, 14.26, 18.4) [0.2304, 0.7019, 0.9061]\n", + " PeriodicSite: Li (13.5, 1.338, 4.826) [0.6645, 0.06587, 0.2376]\n", + " PeriodicSite: Li (13.3, 0.7593, 16.83) [0.6548, 0.03738, 0.8287]\n", + " PeriodicSite: Li (10.86, 11.94, 9.304) [0.5349, 0.5878, 0.458]\n", + " PeriodicSite: Li (15.34, 14.41, 18.38) [0.755, 0.7096, 0.9048]\n", + " PeriodicSite: Li (4.556, 2.133, 6.478) [0.2243, 0.105, 0.3189]\n", + " PeriodicSite: Li (0.8525, 1.6, 18.07) [0.04197, 0.07877, 0.8895]\n", + " PeriodicSite: Li (4.796, 13.42, 8.106) [0.2361, 0.6608, 0.3991]\n", + " PeriodicSite: Li (1.413, 17.99, 15.22) [0.06954, 0.8856, 0.7492]\n", + " PeriodicSite: Li (15.13, 3.456, 8.414) [0.7447, 0.1702, 0.4142]\n", + " PeriodicSite: Li (13.36, 3.18, 0.3361) [0.6576, 0.1566, 0.01655]\n", + " PeriodicSite: Li (16.37, 15.36, 8.295) [0.8057, 0.756, 0.4084]\n", + " PeriodicSite: Li (13.32, 13.66, 0.4394) [0.6557, 0.6723, 0.02164]\n", + " PeriodicSite: Li (5.828, 1.596, 3.27) [0.2869, 0.07855, 0.161]\n", + " PeriodicSite: Li (4.927, 3.507, 17.82) [0.2426, 0.1727, 0.8775]\n", + " PeriodicSite: Li (2.306, 13.61, 5.683) [0.1135, 0.67, 0.2798]\n", + " PeriodicSite: Li (19.8, 13.43, 3.354) [0.9749, 0.6612, 0.1651]\n", + " PeriodicSite: Li (10.5, 3.015, 7.205) [0.5169, 0.1484, 0.3547]\n", + " PeriodicSite: Li (17.31, 0.4204, 16.85) [0.8523, 0.02069, 0.8293]\n", + " PeriodicSite: Li (15.28, 11.54, 7.228) [0.7521, 0.5681, 0.3558]\n", + " PeriodicSite: Li (13.38, 11.77, 15.85) [0.6589, 0.5795, 0.7801]\n", + " PeriodicSite: Li (3.009, 10.35, 17.3) [0.1481, 0.5095, 0.8516]\n", + " PeriodicSite: Li (1.864, 10.97, 8.954) [0.09178, 0.5402, 0.4408]\n", + " PeriodicSite: Li (4.911, 17.4, 18.68) [0.2417, 0.8565, 0.9194]\n", + " PeriodicSite: Li (1.909, 18.67, 10.06) [0.09397, 0.9194, 0.4955]\n", + " PeriodicSite: Li (14.81, 6.0, 2.095) [0.729, 0.2954, 0.1031]\n", + " PeriodicSite: Li (13.68, 7.985, 14.81) [0.6735, 0.3931, 0.7289]\n", + " PeriodicSite: Li (11.56, 14.25, 7.1) [0.569, 0.7017, 0.3495]\n", + " PeriodicSite: Li (14.7, 18.22, 14.36) [0.7237, 0.8971, 0.7072]\n", + " PeriodicSite: Li (4.009, 5.647, 2.025) [0.1974, 0.278, 0.09969]\n", + " PeriodicSite: Li (3.29, 5.305, 11.98) [0.162, 0.2612, 0.5897]\n", + " PeriodicSite: Li (4.529, 17.71, 1.271) [0.223, 0.8719, 0.06259]\n", + " PeriodicSite: Li (4.445, 18.5, 14.62) [0.2188, 0.9108, 0.7196]\n", + " PeriodicSite: Li (17.9, 6.741, 20.08) [0.8813, 0.3319, 0.9885]\n", + " PeriodicSite: Li (12.57, 5.294, 11.45) [0.619, 0.2606, 0.5639]\n", + " PeriodicSite: Li (13.36, 18.47, 4.477) [0.6577, 0.9094, 0.2204]\n", + " PeriodicSite: Li (11.2, 17.48, 14.3) [0.5515, 0.8606, 0.704]\n", + " PeriodicSite: Li (1.773, 8.537, 0.4052) [0.08731, 0.4203, 0.01995]\n", + " PeriodicSite: Li (2.889, 7.386, 9.802) [0.1422, 0.3636, 0.4826]\n", + " PeriodicSite: Li (2.811, 15.86, 1.209) [0.1384, 0.7807, 0.05954]\n", + " PeriodicSite: Li (3.872, 16.43, 11.65) [0.1906, 0.8091, 0.5737]\n", + " PeriodicSite: Li (12.53, 9.115, 0.3381) [0.6168, 0.4487, 0.01665]\n", + " PeriodicSite: Li (10.92, 7.222, 14.15) [0.5378, 0.3555, 0.6964]\n", + " PeriodicSite: Li (11.47, 15.71, 3.297) [0.5647, 0.7736, 0.1623]\n", + " PeriodicSite: Li (14.67, 15.64, 12.47) [0.7223, 0.7701, 0.6137]\n", + " PeriodicSite: Li (0.9432, 5.928, 3.325) [0.04643, 0.2919, 0.1637]\n", + " PeriodicSite: Li (18.41, 8.093, 9.85) [0.9065, 0.3984, 0.4849]\n", + " PeriodicSite: Li (0.2098, 16.82, 3.128) [0.01032, 0.8282, 0.154]\n", + " PeriodicSite: Li (0.63, 19.78, 12.47) [0.03101, 0.9739, 0.6137]\n", + " PeriodicSite: Li (11.13, 6.407, 2.5) [0.5478, 0.3154, 0.1231]\n", + " PeriodicSite: Li (12.83, 9.993, 13.03) [0.6314, 0.492, 0.6415]\n", + " PeriodicSite: Li (13.21, 16.75, 0.218) [0.6502, 0.8247, 0.01074]\n", + " PeriodicSite: Li (7.817, 16.18, 16.04) [0.3849, 0.7968, 0.7895]\n", + " PeriodicSite: Li (3.756, 8.027, 5.301) [0.1849, 0.3952, 0.261]\n", + " PeriodicSite: Li (0.6473, 9.233, 12.18) [0.03187, 0.4546, 0.5998]\n", + " PeriodicSite: Li (1.79, 19.2, 0.6581) [0.0881, 0.9452, 0.0324]\n", + " PeriodicSite: Li (3.131, 0.07963, 13.05) [0.1542, 0.00392, 0.6424]\n", + " PeriodicSite: Li (15.31, 8.886, 3.175) [0.7536, 0.4375, 0.1563]\n", + " PeriodicSite: Li (13.75, 7.352, 10.11) [0.6767, 0.3619, 0.4977]\n", + " PeriodicSite: Li (12.42, 19.87, 1.53) [0.6113, 0.9784, 0.07532]\n", + " PeriodicSite: Li (13.54, 17.39, 10.54) [0.6664, 0.8561, 0.5188]\n", + " PeriodicSite: Li (6.94, 4.776, 1.645) [0.3417, 0.2351, 0.08099]\n", + " PeriodicSite: Li (4.55, 8.431, 13.58) [0.224, 0.4151, 0.6688]\n", + " PeriodicSite: Li (3.85, 18.11, 4.512) [0.1895, 0.8918, 0.2221]\n", + " PeriodicSite: Li (0.7727, 16.44, 13.35) [0.03804, 0.8093, 0.6572]\n", + " PeriodicSite: Li (13.13, 11.07, 5.572) [0.6463, 0.5451, 0.2743]\n", + " PeriodicSite: Li (14.99, 6.762, 12.17) [0.738, 0.3329, 0.5993]\n", + " PeriodicSite: Li (14.95, 17.31, 2.356) [0.7361, 0.8521, 0.116]\n", + " PeriodicSite: Li (15.97, 2.111, 14.98) [0.7865, 0.1039, 0.7375]\n", + " PeriodicSite: Li (10.2, 3.139, 3.218) [0.5021, 0.1546, 0.1584]\n", + " PeriodicSite: Li (9.731, 3.469, 13.06) [0.4791, 0.1708, 0.6429]\n", + " PeriodicSite: Li (6.807, 10.32, 3.369) [0.3351, 0.5081, 0.1659]\n", + " PeriodicSite: Li (3.376, 12.47, 15.46) [0.1662, 0.6138, 0.7613]\n", + " PeriodicSite: Li (16.92, 1.564, 5.064) [0.8328, 0.07699, 0.2493]\n", + " PeriodicSite: Li (12.71, 3.618, 9.549) [0.6259, 0.1781, 0.4701]\n", + " PeriodicSite: Li (18.18, 10.77, 1.128) [0.8951, 0.5304, 0.05551]\n", + " PeriodicSite: Li (16.99, 10.29, 13.25) [0.8364, 0.5064, 0.6523]\n", + " PeriodicSite: Li (6.828, 18.79, 4.872) [0.3362, 0.925, 0.2398]\n", + " PeriodicSite: Li (5.955, 2.751, 14.61) [0.2932, 0.1354, 0.7191]\n", + " PeriodicSite: Li (7.148, 12.34, 0.6442) [0.3519, 0.6077, 0.03172]\n", + " PeriodicSite: Li (9.609, 14.29, 12.46) [0.4731, 0.7036, 0.6136]\n", + " PeriodicSite: Li (16.75, 20.25, 3.196) [0.8247, 0.9971, 0.1573]\n", + " PeriodicSite: Li (18.6, 1.954, 10.49) [0.9159, 0.09618, 0.5166]\n", + " PeriodicSite: Li (17.51, 10.87, 4.429) [0.8619, 0.5352, 0.218]\n", + " PeriodicSite: Li (17.23, 15.11, 11.95) [0.848, 0.7437, 0.5885]\n", + " PeriodicSite: Li (8.741, 5.65, 6.295) [0.4303, 0.2781, 0.3099]\n", + " PeriodicSite: Li (9.249, 0.5987, 11.82) [0.4554, 0.02947, 0.582]\n", + " PeriodicSite: Li (8.686, 13.02, 5.101) [0.4276, 0.6412, 0.2511]\n", + " PeriodicSite: Li (7.073, 13.93, 9.898) [0.3482, 0.6859, 0.4873]\n", + " PeriodicSite: Li (0.237, 1.932, 2.027) [0.01167, 0.09511, 0.09981]\n", + " PeriodicSite: Li (19.0, 4.188, 12.88) [0.9354, 0.2062, 0.6339]\n", + " PeriodicSite: Li (16.35, 14.79, 2.285) [0.8049, 0.7284, 0.1125]\n", + " PeriodicSite: Li (15.25, 12.29, 13.16) [0.7507, 0.605, 0.6478]\n", + " PeriodicSite: Li (3.239, 0.0758, 3.195) [0.1595, 0.00373, 0.1573]\n", + " PeriodicSite: Li (6.067, 0.6854, 12.89) [0.2987, 0.03374, 0.6348]\n", + " PeriodicSite: Li (5.61, 14.52, 2.021) [0.2762, 0.7147, 0.09951]\n", + " PeriodicSite: Li (7.715, 8.438, 15.33) [0.3798, 0.4154, 0.7546]\n", + " PeriodicSite: Li (18.33, 4.247, 3.431) [0.9024, 0.2091, 0.1689]\n", + " PeriodicSite: Li (17.07, 20.02, 13.5) [0.8405, 0.9855, 0.6645]\n", + " PeriodicSite: Li (17.2, 13.22, 20.27) [0.8469, 0.6509, 0.998]\n", + " PeriodicSite: Li (19.91, 12.19, 12.01) [0.9802, 0.6, 0.5913]\n", + " PeriodicSite: Li (6.499, 2.86, 20.14) [0.32, 0.1408, 0.9913]\n", + " PeriodicSite: Li (5.208, 3.111, 10.54) [0.2564, 0.1532, 0.5188]\n", + " PeriodicSite: Li (9.496, 11.89, 2.182) [0.4675, 0.5856, 0.1074]\n", + " PeriodicSite: Li (7.876, 10.31, 10.91) [0.3878, 0.5075, 0.5371]\n", + " PeriodicSite: Li (15.87, 2.984, 2.071) [0.7811, 0.1469, 0.102]\n", + " PeriodicSite: Li (15.69, 3.173, 11.57) [0.7725, 0.1562, 0.5695]\n", + " PeriodicSite: Li (1.726, 12.31, 0.06394) [0.08496, 0.6059, 0.003149]\n", + " PeriodicSite: Li (19.35, 12.71, 14.59) [0.9527, 0.6259, 0.7183]\n", + " PeriodicSite: Li (8.789, 0.142, 2.338) [0.4327, 0.006987, 0.1151]\n", + " PeriodicSite: Li (8.043, 2.042, 10.09) [0.396, 0.1005, 0.4967]\n", + " PeriodicSite: Li (5.649, 12.29, 4.48) [0.2781, 0.6052, 0.2206]\n", + " PeriodicSite: Li (5.45, 14.2, 12.47) [0.2683, 0.6991, 0.6137]\n", + " PeriodicSite: Li (17.27, 3.216, 20.31) [0.8504, 0.1583, 0.9998]\n", + " PeriodicSite: Li (2.154, 6.703, 15.4) [0.106, 0.33, 0.758]\n", + " PeriodicSite: Li (2.675, 15.38, 8.284) [0.1317, 0.7572, 0.4078]\n", + " PeriodicSite: Li (16.6, 13.06, 10.41) [0.8172, 0.6431, 0.5127]\n", + " PeriodicSite: Li (13.43, 8.034, 4.796) [0.661, 0.3955, 0.2361]\n", + " PeriodicSite: Li (5.726, 8.862, 17.22) [0.2819, 0.4363, 0.8477]\n", + " PeriodicSite: Li (5.894, 16.98, 9.126) [0.2902, 0.8362, 0.4493]\n", + " PeriodicSite: Li (7.026, 16.14, 19.75) [0.3459, 0.7946, 0.9723]\n", + " PeriodicSite: Li (15.81, 8.337, 6.418) [0.7784, 0.4105, 0.316]\n", + " PeriodicSite: Li (2.886, 5.534, 18.39) [0.1421, 0.2725, 0.9054]\n", + " PeriodicSite: Li (17.19, 17.93, 5.437) [0.8461, 0.8829, 0.2677]\n", + " PeriodicSite: Li (19.81, 18.59, 18.61) [0.9752, 0.9152, 0.9162]\n", + " PeriodicSite: Li (6.895, 8.169, 4.821) [0.3394, 0.4022, 0.2374]\n", + " PeriodicSite: Li (8.477, 5.306, 17.28) [0.4173, 0.2612, 0.8505]\n", + " PeriodicSite: Li (8.183, 20.25, 8.092) [0.4029, 0.997, 0.3984]\n", + " PeriodicSite: Li (6.763, 19.91, 16.41) [0.333, 0.9802, 0.8078]\n", + " PeriodicSite: Li (17.62, 9.678, 7.425) [0.8677, 0.4765, 0.3655]\n", + " PeriodicSite: Li (18.29, 7.261, 15.22) [0.9002, 0.3574, 0.7494]\n", + " PeriodicSite: Li (17.78, 19.9, 7.96) [0.8754, 0.9798, 0.3919]\n", + " PeriodicSite: Li (18.68, 16.1, 16.46) [0.9196, 0.7928, 0.8101]\n", + " PeriodicSite: Li (6.104, 5.767, 8.446) [0.3005, 0.2839, 0.4158]\n", + " PeriodicSite: Li (6.007, 6.788, 19.21) [0.2957, 0.3342, 0.9455]\n", + " PeriodicSite: Li (8.839, 17.89, 9.483) [0.4352, 0.881, 0.4669]\n", + " PeriodicSite: Li (9.669, 13.19, 16.87) [0.476, 0.6492, 0.8305]\n", + " PeriodicSite: Li (20.05, 7.455, 7.611) [0.9871, 0.367, 0.3747]\n", + " PeriodicSite: Li (18.52, 5.503, 17.48) [0.9119, 0.2709, 0.8606]\n", + " PeriodicSite: Li (17.64, 17.37, 10.15) [0.8686, 0.8552, 0.4999]\n", + " PeriodicSite: Li (16.9, 16.41, 19.94) [0.8319, 0.8081, 0.9816]\n", + " PeriodicSite: Li (9.561, 8.896, 7.68) [0.4707, 0.4379, 0.3781]\n", + " PeriodicSite: Li (8.83, 7.868, 19.92) [0.4347, 0.3873, 0.9805]\n", + " PeriodicSite: Li (5.63, 19.51, 7.161) [0.2772, 0.9607, 0.3525]\n", + " PeriodicSite: Li (8.223, 15.02, 3.184) [0.4048, 0.7394, 0.1567]\n", + " PeriodicSite: Li (16.75, 6.072, 9.752) [0.8248, 0.2989, 0.4801]\n", + " PeriodicSite: Li (18.92, 9.985, 18.57) [0.9317, 0.4916, 0.9144]\n", + " PeriodicSite: Li (14.94, 18.37, 7.136) [0.7357, 0.9042, 0.3513]\n", + " PeriodicSite: Li (15.64, 18.37, 17.43) [0.7701, 0.9042, 0.8579]\n", + " PeriodicSite: Li (6.677, 5.432, 11.63) [0.3287, 0.2674, 0.5724]\n", + " PeriodicSite: Li (8.268, 9.779, 18.35) [0.4071, 0.4814, 0.9032]\n", + " PeriodicSite: Li (9.924, 17.31, 6.728) [0.4885, 0.8524, 0.3312]\n", + " PeriodicSite: Li (10.53, 18.11, 2.148) [0.5185, 0.8918, 0.1057]\n", + " PeriodicSite: Li (18.23, 7.417, 5.236) [0.8974, 0.3651, 0.2578]\n", + " PeriodicSite: Li (15.26, 3.292, 18.51) [0.7511, 0.1621, 0.9111]\n", + " PeriodicSite: Li (19.25, 16.77, 7.191) [0.9477, 0.8256, 0.354]\n", + " PeriodicSite: Li (18.21, 0.1678, 0.8131) [0.8965, 0.008254, 0.04003]\n", + " PeriodicSite: Li (3.574, 10.13, 3.376) [0.1759, 0.4987, 0.1662]\n", + " PeriodicSite: Li (10.31, 7.472, 17.41) [0.5074, 0.3678, 0.8572]\n", + " PeriodicSite: Li (7.779, 15.65, 7.311) [0.383, 0.7704, 0.3599]\n", + " PeriodicSite: Li (8.329, 19.32, 19.26) [0.41, 0.9512, 0.9483]\n", + " PeriodicSite: Li (18.13, 5.127, 7.075) [0.8924, 0.2524, 0.3483]\n", + " PeriodicSite: Li (16.94, 12.04, 15.03) [0.834, 0.5927, 0.74]\n", + " PeriodicSite: Li (17.55, 14.46, 4.911) [0.8641, 0.7118, 0.2418]\n", + " PeriodicSite: Li (13.47, 0.4864, 13.64) [0.6633, 0.02394, 0.6715]\n", + " PeriodicSite: Cl (7.484, 12.91, 12.56) [0.3684, 0.6355, 0.6185]\n", + " PeriodicSite: Cl (2.652, 12.82, 17.84) [0.1306, 0.6314, 0.8782]\n", + " PeriodicSite: Cl (12.94, 17.12, 12.59) [0.637, 0.843, 0.6198]\n", + " PeriodicSite: Cl (17.73, 7.662, 17.53) [0.8728, 0.3772, 0.8631]\n", + " PeriodicSite: Cl (7.569, 2.601, 2.046) [0.3726, 0.128, 0.1007]\n", + " PeriodicSite: Cl (7.692, 7.58, 7.05) [0.3787, 0.3732, 0.3471]\n", + " PeriodicSite: Cl (12.67, 12.61, 8.193) [0.6238, 0.6208, 0.4034]\n", + " PeriodicSite: Cl (2.539, 7.451, 2.748) [0.125, 0.3668, 0.1353]\n", + " PeriodicSite: Cl (2.414, 7.844, 12.7) [0.1188, 0.3862, 0.6251]\n", + " PeriodicSite: Cl (12.26, 13.02, 17.56) [0.6036, 0.6411, 0.8644]\n", + " PeriodicSite: Cl (17.82, 17.75, 17.82) [0.8773, 0.8738, 0.8773]\n", + " PeriodicSite: Cl (2.52, 2.39, 7.334) [0.124, 0.1177, 0.3611]\n", + " PeriodicSite: Cl (12.73, 2.946, 18.14) [0.6266, 0.145, 0.8932]\n", + " PeriodicSite: Cl (13.26, 7.584, 2.369) [0.653, 0.3734, 0.1166]\n", + " PeriodicSite: Cl (17.73, 2.402, 12.49) [0.8728, 0.1182, 0.6148]\n", + " PeriodicSite: Cl (7.083, 17.84, 17.81) [0.3487, 0.8784, 0.8769]\n", + " PeriodicSite: Cl (20.25, 0.1814, 19.96) [0.9971, 0.008924, 0.9827]\n", + " PeriodicSite: Cl (20.12, 0.02682, 10.03) [0.9905, 0.001312, 0.4936]\n", + " PeriodicSite: Cl (20.22, 10.76, 20.23) [0.9956, 0.5296, 0.996]\n", + " PeriodicSite: Cl (20.23, 9.533, 10.04) [0.996, 0.4693, 0.4942]\n", + " PeriodicSite: Cl (10.11, 19.76, 0.4567) [0.4978, 0.973, 0.02249]\n", + " PeriodicSite: Cl (9.811, 0.4805, 9.666) [0.483, 0.02365, 0.4759]\n", + " PeriodicSite: Cl (10.33, 10.08, 19.93) [0.5087, 0.496, 0.9814]\n", + " PeriodicSite: Cl (9.779, 9.762, 9.769) [0.4814, 0.4806, 0.4809]\n", + " PeriodicSite: Cl (19.99, 4.807, 5.057) [0.9843, 0.2367, 0.249]\n", + " PeriodicSite: Cl (0.01057, 5.268, 14.89) [0.0005221, 0.2593, 0.7331]\n", + " PeriodicSite: Cl (19.79, 15.27, 5.443) [0.9741, 0.7519, 0.268]\n", + " PeriodicSite: Cl (0.5826, 15.79, 15.6) [0.02868, 0.7771, 0.7681]\n", + " PeriodicSite: Cl (10.67, 5.069, 5.179) [0.5252, 0.2495, 0.255]\n", + " PeriodicSite: Cl (10.15, 5.082, 15.01) [0.4998, 0.2502, 0.7391]\n", + " PeriodicSite: Cl (9.817, 15.54, 5.118) [0.4833, 0.7651, 0.252]\n", + " PeriodicSite: Cl (9.982, 15.18, 15.52) [0.4914, 0.7475, 0.764]\n", + " PeriodicSite: S (4.701, 20.23, 5.126) [0.2314, 0.9957, 0.2524]\n", + " PeriodicSite: S (5.063, 0.3355, 14.99) [0.2492, 0.01652, 0.7381]\n", + " PeriodicSite: S (5.311, 9.891, 5.157) [0.2615, 0.487, 0.2539]\n", + " PeriodicSite: S (4.97, 10.41, 15.47) [0.2447, 0.5125, 0.7615]\n", + " PeriodicSite: S (15.34, 20.1, 5.373) [0.7552, 0.9894, 0.2645]\n", + " PeriodicSite: S (15.41, 0.02145, 15.38) [0.7588, 0.00105, 0.7572]\n", + " PeriodicSite: S (15.07, 10.12, 5.253) [0.7417, 0.4984, 0.2586]\n", + " PeriodicSite: S (15.01, 10.19, 14.84) [0.7391, 0.5016, 0.7308]\n", + " PeriodicSite: S (4.797, 4.747, 19.86) [0.2362, 0.2337, 0.9777]\n", + " PeriodicSite: S (4.699, 5.496, 10.48) [0.2313, 0.2706, 0.5162]\n", + " PeriodicSite: S (4.772, 15.65, 20.27) [0.2349, 0.7705, 0.998]\n", + " PeriodicSite: S (4.826, 15.02, 10.19) [0.2376, 0.7394, 0.5016]\n", + " PeriodicSite: S (15.29, 4.77, 0.2617) [0.7526, 0.2348, 0.01289]\n", + " PeriodicSite: S (14.57, 5.021, 10.29) [0.7172, 0.2472, 0.5068]\n", + " PeriodicSite: S (15.13, 15.12, 0.354) [0.7449, 0.7441, 0.01743]\n", + " PeriodicSite: S (15.41, 15.47, 10.35) [0.7584, 0.7617, 0.5097]\n", + " PeriodicSite: S (8.492, 4.214, 8.908) [0.4181, 0.2074, 0.4385]\n", + " PeriodicSite: S (9.369, 3.489, 19.09) [0.4612, 0.1718, 0.94]\n", + " PeriodicSite: S (9.128, 14.08, 8.585) [0.4494, 0.6929, 0.4226]\n", + " PeriodicSite: S (8.688, 13.72, 19.31) [0.4277, 0.6752, 0.9505]\n", + " PeriodicSite: S (18.93, 3.725, 8.693) [0.932, 0.1834, 0.428]\n", + " PeriodicSite: S (19.17, 3.937, 19.27) [0.9437, 0.1938, 0.9488]\n", + " PeriodicSite: S (18.97, 14.06, 9.461) [0.934, 0.692, 0.4658]\n", + " PeriodicSite: S (18.68, 14.54, 19.22) [0.9198, 0.7158, 0.9462]\n", + " PeriodicSite: S (4.188, 1.385, 1.263) [0.2062, 0.0682, 0.0622]\n", + " PeriodicSite: S (3.913, 1.103, 11.18) [0.1927, 0.05429, 0.5503]\n", + " PeriodicSite: S (3.785, 11.16, 1.283) [0.1864, 0.5492, 0.06315]\n", + " PeriodicSite: S (3.353, 11.13, 11.34) [0.165, 0.5481, 0.5584]\n", + " PeriodicSite: S (14.31, 0.8775, 1.396) [0.7047, 0.0432, 0.06871]\n", + " PeriodicSite: S (13.78, 1.493, 11.36) [0.6786, 0.07349, 0.5591]\n", + " PeriodicSite: S (14.41, 10.94, 1.299) [0.7094, 0.5388, 0.06396]\n", + " PeriodicSite: S (14.27, 11.4, 11.24) [0.7025, 0.5613, 0.5536]\n", + " PeriodicSite: S (6.082, 1.156, 8.725) [0.2994, 0.05692, 0.4295]\n", + " PeriodicSite: S (6.159, 1.106, 18.84) [0.3032, 0.05444, 0.9275]\n", + " PeriodicSite: S (6.095, 11.57, 9.1) [0.3001, 0.5695, 0.448]\n", + " PeriodicSite: S (6.028, 11.19, 19.17) [0.2968, 0.5508, 0.9439]\n", + " PeriodicSite: S (16.23, 1.183, 8.918) [0.7992, 0.05822, 0.439]\n", + " PeriodicSite: S (16.76, 1.039, 19.3) [0.8253, 0.05116, 0.95]\n", + " PeriodicSite: S (16.99, 11.0, 9.211) [0.8366, 0.5414, 0.4535]\n", + " PeriodicSite: S (16.68, 11.19, 18.98) [0.8209, 0.5507, 0.9343]\n", + " PeriodicSite: S (1.427, 3.873, 1.222) [0.07024, 0.1907, 0.06015]\n", + " PeriodicSite: S (0.7603, 3.195, 10.94) [0.03743, 0.1573, 0.5384]\n", + " PeriodicSite: S (0.9429, 14.28, 1.399) [0.04641, 0.7031, 0.06886]\n", + " PeriodicSite: S (0.9804, 14.38, 11.59) [0.04826, 0.7079, 0.5708]\n", + " PeriodicSite: S (11.32, 4.112, 1.486) [0.5575, 0.2024, 0.07315]\n", + " PeriodicSite: S (10.92, 3.583, 11.09) [0.5375, 0.1764, 0.5458]\n", + " PeriodicSite: S (10.94, 13.91, 1.353) [0.5386, 0.6847, 0.06661]\n", + " PeriodicSite: S (11.27, 13.94, 10.87) [0.555, 0.6863, 0.5352]\n", + " PeriodicSite: S (2.47, 2.912, 17.5) [0.1216, 0.1433, 0.8614]\n", + " PeriodicSite: S (2.227, 13.12, 7.904) [0.1096, 0.6459, 0.3891]\n", + " PeriodicSite: S (12.8, 2.536, 7.499) [0.6304, 0.1249, 0.3692]\n", + " PeriodicSite: S (8.971, 8.949, 3.388) [0.4416, 0.4406, 0.1668]\n", + " PeriodicSite: S (9.303, 9.245, 13.43) [0.458, 0.4551, 0.6613]\n", + " PeriodicSite: S (9.181, 18.72, 3.915) [0.452, 0.9215, 0.1928]\n", + " PeriodicSite: S (9.337, 19.36, 14.06) [0.4597, 0.9532, 0.692]\n", + " PeriodicSite: S (19.32, 9.119, 4.069) [0.9513, 0.4489, 0.2003]\n", + " PeriodicSite: S (19.02, 9.048, 14.03) [0.9361, 0.4454, 0.6908]\n", + " PeriodicSite: S (18.93, 19.08, 3.915) [0.9318, 0.9394, 0.1928]\n", + " PeriodicSite: S (19.25, 19.37, 14.02) [0.9477, 0.9535, 0.6903]\n", + " PeriodicSite: S (4.181, 5.894, 6.425) [0.2058, 0.2902, 0.3163]\n", + " PeriodicSite: S (4.175, 6.685, 16.78) [0.2056, 0.3291, 0.8262]\n", + " PeriodicSite: S (4.122, 16.37, 6.473) [0.2029, 0.8057, 0.3187]\n", + " PeriodicSite: S (3.762, 16.55, 16.86) [0.1852, 0.8146, 0.8302]\n", + " PeriodicSite: S (14.51, 6.362, 6.413) [0.7141, 0.3132, 0.3157]\n", + " PeriodicSite: S (14.1, 6.072, 16.56) [0.6943, 0.2989, 0.8153]\n", + " PeriodicSite: S (13.44, 16.18, 6.482) [0.6619, 0.7965, 0.3191]\n", + " PeriodicSite: S (14.35, 16.5, 16.7) [0.7063, 0.8124, 0.8223]\n", + " PeriodicSite: S (6.077, 6.117, 3.715) [0.2992, 0.3012, 0.1829]\n", + " PeriodicSite: S (6.235, 6.941, 14.05) [0.307, 0.3417, 0.6918]\n", + " PeriodicSite: S (6.202, 16.29, 3.798) [0.3053, 0.8021, 0.187]\n", + " PeriodicSite: S (6.11, 16.76, 14.39) [0.3008, 0.8249, 0.7082]\n", + " PeriodicSite: S (16.55, 6.12, 3.778) [0.8148, 0.3013, 0.186]\n", + " PeriodicSite: S (16.53, 6.239, 14.08) [0.8138, 0.3072, 0.6934]\n", + " PeriodicSite: S (15.98, 16.39, 4.091) [0.7868, 0.807, 0.2014]\n", + " PeriodicSite: S (16.34, 16.52, 14.04) [0.8045, 0.8132, 0.6912]\n", + " PeriodicSite: S (1.048, 9.37, 6.635) [0.05157, 0.4613, 0.3266]\n", + " PeriodicSite: S (1.256, 8.928, 16.25) [0.06186, 0.4395, 0.8002]\n", + " PeriodicSite: S (0.7301, 18.64, 6.599) [0.03594, 0.9176, 0.3249]\n", + " PeriodicSite: S (1.082, 19.86, 16.66) [0.05325, 0.9778, 0.8201]\n", + " PeriodicSite: S (11.37, 9.241, 5.827) [0.5597, 0.4549, 0.2869]\n", + " PeriodicSite: S (11.52, 9.035, 15.94) [0.5669, 0.4448, 0.785]\n", + " PeriodicSite: S (11.55, 19.15, 6.244) [0.5685, 0.9427, 0.3074]\n", + " PeriodicSite: S (11.79, 18.82, 16.08) [0.5805, 0.9264, 0.7917]\n", + " PeriodicSite: S (2.391, 18.1, 2.555) [0.1177, 0.8911, 0.1258]\n", + " PeriodicSite: S (2.459, 18.14, 13.04) [0.121, 0.8929, 0.642]\n", + " PeriodicSite: S (12.82, 7.668, 12.45) [0.631, 0.3775, 0.613]\n", + " PeriodicSite: S (12.8, 17.71, 2.548) [0.63, 0.8719, 0.1255]\n", + " PeriodicSite: S (4.284, 3.49, 3.976) [0.2109, 0.1718, 0.1958]\n", + " PeriodicSite: S (3.922, 4.577, 14.22) [0.1931, 0.2253, 0.7003]\n", + " PeriodicSite: S (3.973, 13.95, 4.13) [0.1956, 0.6869, 0.2033]\n", + " PeriodicSite: S (3.999, 14.33, 14.1) [0.1969, 0.7057, 0.6944]\n", + " PeriodicSite: S (13.97, 4.172, 3.71) [0.6879, 0.2054, 0.1827]\n", + " PeriodicSite: S (14.28, 3.732, 14.09) [0.7029, 0.1837, 0.6937]\n", + " PeriodicSite: S (13.64, 13.97, 3.937) [0.6716, 0.6875, 0.1938]\n", + " PeriodicSite: S (13.91, 14.21, 14.42) [0.6849, 0.6995, 0.7098]\n", + " PeriodicSite: S (9.12, 1.242, 5.878) [0.449, 0.06113, 0.2894]\n", + " PeriodicSite: S (9.048, 0.7065, 17.07) [0.4454, 0.03478, 0.8406]\n", + " PeriodicSite: S (8.616, 10.83, 6.357) [0.4242, 0.533, 0.313]\n", + " PeriodicSite: S (8.764, 10.97, 16.39) [0.4314, 0.5402, 0.8071]\n", + " PeriodicSite: S (18.92, 1.068, 6.499) [0.9316, 0.05259, 0.32]\n", + " PeriodicSite: S (19.03, 1.857, 16.09) [0.9367, 0.0914, 0.7921]\n", + " PeriodicSite: S (18.83, 11.7, 6.245) [0.9269, 0.5762, 0.3074]\n", + " PeriodicSite: S (19.34, 11.29, 16.46) [0.9523, 0.556, 0.8102]\n", + " PeriodicSite: S (1.306, 0.717, 4.426) [0.06431, 0.0353, 0.2179]\n", + " PeriodicSite: S (1.208, 1.695, 13.82) [0.05945, 0.08346, 0.6805]\n", + " PeriodicSite: S (1.367, 11.77, 4.401) [0.06727, 0.5797, 0.2167]\n", + " PeriodicSite: S (0.9292, 11.33, 13.84) [0.04575, 0.5576, 0.6811]\n", + " PeriodicSite: S (11.33, 1.031, 3.471) [0.5579, 0.05073, 0.1709]\n", + " PeriodicSite: S (11.44, 1.612, 14.76) [0.563, 0.07936, 0.7266]\n", + " PeriodicSite: S (10.85, 11.94, 3.944) [0.534, 0.5878, 0.1942]\n", + " PeriodicSite: S (11.14, 11.86, 14.17) [0.5485, 0.5838, 0.6976]\n", + " PeriodicSite: S (6.826, 3.859, 6.225) [0.3361, 0.19, 0.3065]\n", + " PeriodicSite: S (6.584, 4.215, 16.09) [0.3241, 0.2075, 0.7919]\n", + " PeriodicSite: S (6.402, 13.98, 6.374) [0.3152, 0.688, 0.3138]\n", + " PeriodicSite: S (6.292, 14.29, 16.49) [0.3097, 0.7035, 0.8119]\n", + " PeriodicSite: S (16.28, 3.721, 6.121) [0.8017, 0.1832, 0.3014]\n", + " PeriodicSite: S (16.5, 3.99, 16.56) [0.8123, 0.1964, 0.8151]\n", + " PeriodicSite: S (15.96, 13.79, 6.235) [0.7857, 0.6791, 0.3069]\n", + " PeriodicSite: S (16.86, 14.18, 16.42) [0.8298, 0.6981, 0.8086]\n", + " PeriodicSite: S (7.584, 2.383, 12.34) [0.3734, 0.1173, 0.6076]\n", + " PeriodicSite: S (7.394, 12.76, 2.83) [0.364, 0.6284, 0.1393]\n", + " PeriodicSite: S (17.98, 2.019, 2.72) [0.8854, 0.0994, 0.1339]\n", + " PeriodicSite: S (17.5, 12.65, 2.821) [0.8616, 0.623, 0.1389]\n", + " PeriodicSite: S (17.53, 13.0, 12.93) [0.8632, 0.6401, 0.6366]\n", + " PeriodicSite: S (4.073, 9.206, 8.716) [0.2005, 0.4532, 0.4291]\n", + " PeriodicSite: S (3.872, 8.647, 19.32) [0.1906, 0.4257, 0.9512]\n", + " PeriodicSite: S (3.596, 19.08, 8.697) [0.177, 0.9392, 0.4282]\n", + " PeriodicSite: S (3.68, 19.15, 19.37) [0.1812, 0.943, 0.9538]\n", + " PeriodicSite: S (14.37, 8.948, 8.671) [0.7072, 0.4405, 0.4269]\n", + " PeriodicSite: S (14.23, 8.912, 18.86) [0.7005, 0.4387, 0.9287]\n", + " PeriodicSite: S (13.58, 19.47, 9.031) [0.6687, 0.9584, 0.4446]\n", + " PeriodicSite: S (14.07, 19.36, 18.95) [0.6925, 0.9532, 0.9327]\n", + " PeriodicSite: S (8.813, 6.049, 1.178) [0.4339, 0.2978, 0.058]\n", + " PeriodicSite: S (9.061, 6.372, 11.67) [0.4461, 0.3137, 0.5743]\n", + " PeriodicSite: S (8.751, 16.36, 1.18) [0.4308, 0.8054, 0.05809]\n", + " PeriodicSite: S (8.58, 15.94, 11.15) [0.4224, 0.7848, 0.5488]\n", + " PeriodicSite: S (19.03, 5.811, 1.665) [0.937, 0.2861, 0.08197]\n", + " PeriodicSite: S (18.85, 5.841, 11.08) [0.9282, 0.2875, 0.5455]\n", + " PeriodicSite: S (18.66, 16.44, 1.471) [0.9185, 0.8092, 0.07243]\n", + " PeriodicSite: S (19.05, 16.57, 11.76) [0.938, 0.8157, 0.5789]\n", + " PeriodicSite: S (1.248, 5.848, 8.962) [0.06142, 0.2879, 0.4412]\n", + " PeriodicSite: S (0.8403, 6.488, 19.31) [0.04137, 0.3194, 0.9506]\n", + " PeriodicSite: S (0.6615, 16.82, 9.038) [0.03256, 0.8282, 0.4449]\n", + " PeriodicSite: S (0.8915, 16.5, 19.38) [0.04389, 0.8123, 0.954]\n", + " PeriodicSite: S (11.25, 6.335, 9.142) [0.5538, 0.3119, 0.4501]\n", + " PeriodicSite: S (11.13, 6.386, 19.25) [0.5481, 0.3144, 0.9478]\n", + " PeriodicSite: S (11.2, 16.72, 9.073) [0.5512, 0.8233, 0.4467]\n", + " PeriodicSite: S (11.03, 16.35, 19.18) [0.5432, 0.805, 0.9444]\n", + " PeriodicSite: S (6.266, 8.881, 1.366) [0.3085, 0.4372, 0.06726]\n", + " PeriodicSite: S (6.011, 9.165, 11.41) [0.2959, 0.4512, 0.562]\n", + " PeriodicSite: S (6.573, 19.2, 0.9367) [0.3236, 0.9453, 0.04612]\n", + " PeriodicSite: S (6.086, 19.04, 11.11) [0.2996, 0.9374, 0.5472]\n", + " PeriodicSite: S (16.81, 8.752, 0.9156) [0.8278, 0.4308, 0.04508]\n", + " PeriodicSite: S (16.59, 8.618, 11.29) [0.8166, 0.4243, 0.5557]\n", + " PeriodicSite: S (16.53, 18.63, 0.7023) [0.8139, 0.9171, 0.03458]\n", + " PeriodicSite: S (16.09, 19.16, 11.47) [0.7921, 0.9434, 0.5646]\n", + " PeriodicSite: S (7.914, 7.687, 17.86) [0.3896, 0.3784, 0.8791]\n", + " PeriodicSite: S (7.59, 17.93, 7.601) [0.3737, 0.8827, 0.3742]\n", + " PeriodicSite: S (17.76, 7.438, 7.693) [0.8745, 0.3662, 0.3787]\n", + " PeriodicSite: S (17.29, 17.59, 7.803) [0.8511, 0.8661, 0.3841]\n", + " PeriodicSite: P (5.174, 0.07524, 0.02434) [0.2547, 0.003702, 0.0012]\n", + " PeriodicSite: P (4.903, 20.16, 10.02) [0.2414, 0.9923, 0.4931]\n", + " PeriodicSite: P (5.04, 9.882, 0.1461) [0.2481, 0.4865, 0.007196]\n", + " PeriodicSite: P (4.807, 10.39, 10.19) [0.2367, 0.5114, 0.5018]\n", + " PeriodicSite: P (15.34, 20.09, 20.25) [0.7551, 0.9891, 0.9969]\n", + " PeriodicSite: P (14.88, 0.2424, 10.28) [0.7326, 0.01193, 0.506]\n", + " PeriodicSite: P (15.51, 9.96, 20.21) [0.7635, 0.4903, 0.995]\n", + " PeriodicSite: P (15.43, 10.05, 10.16) [0.7599, 0.4949, 0.5003]\n", + " PeriodicSite: P (5.326, 4.761, 5.079) [0.2622, 0.2344, 0.25]\n", + " PeriodicSite: P (5.233, 5.657, 15.31) [0.2576, 0.2785, 0.7535]\n", + " PeriodicSite: P (5.186, 15.18, 5.169) [0.2553, 0.7474, 0.2545]\n", + " PeriodicSite: P (4.957, 15.48, 15.53) [0.244, 0.7622, 0.7647]\n", + " PeriodicSite: P (15.32, 5.028, 5.048) [0.7544, 0.2475, 0.2485]\n", + " PeriodicSite: P (15.35, 5.112, 15.3) [0.7556, 0.2517, 0.7532]\n", + " PeriodicSite: P (14.71, 15.03, 5.262) [0.7244, 0.7397, 0.2591]\n", + " PeriodicSite: P (15.44, 15.31, 15.43) [0.7604, 0.7539, 0.7597]\n", + " PeriodicSite: P (20.11, 19.97, 5.407) [0.9901, 0.9829, 0.2662]\n", + " PeriodicSite: P (20.22, 0.5235, 15.14) [0.9956, 0.02577, 0.7453]\n", + " PeriodicSite: P (0.08337, 10.43, 5.356) [0.004101, 0.5136, 0.2637]\n", + " PeriodicSite: P (0.05628, 10.14, 15.22) [0.00277, 0.499, 0.7491]\n", + " PeriodicSite: P (10.33, 20.17, 4.951) [0.5083, 0.9932, 0.2437]\n", + " PeriodicSite: P (10.34, 20.23, 15.59) [0.5089, 0.9958, 0.7675]\n", + " PeriodicSite: P (9.871, 10.16, 4.843) [0.486, 0.5004, 0.2384]\n", + " PeriodicSite: P (10.2, 10.3, 14.91) [0.5022, 0.5072, 0.7341]\n", + " PeriodicSite: P (20.3, 4.962, 0.232) [0.9992, 0.2443, 0.01143]\n", + " PeriodicSite: P (20.19, 4.703, 10.01) [0.9938, 0.2315, 0.4927]\n", + " PeriodicSite: P (19.93, 15.49, 0.234) [0.981, 0.7626, 0.01153]\n", + " PeriodicSite: P (20.06, 15.52, 10.41) [0.9874, 0.7639, 0.5127]\n", + " PeriodicSite: P (10.1, 5.008, 20.25) [0.4974, 0.2465, 0.9969]\n", + " PeriodicSite: P (9.871, 5.195, 10.19) [0.486, 0.2558, 0.5014]\n", + " PeriodicSite: P (9.92, 15.11, 0.02972) [0.4884, 0.7436, 0.001467]\n", + " PeriodicSite: P (10.04, 15.24, 9.946) [0.4941, 0.7504, 0.4896],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.3782, 2.94, 6.0) [0.01862, 0.1447, 0.2954]\n", + " PeriodicSite: Li (0.6773, 3.672, 15.79) [0.03335, 0.1808, 0.7775]\n", + " PeriodicSite: Li (3.245, 13.34, 10.19) [0.1597, 0.6569, 0.5015]\n", + " PeriodicSite: Li (1.888, 15.15, 16.68) [0.09296, 0.7459, 0.8212]\n", + " PeriodicSite: Li (15.0, 1.064, 7.333) [0.7383, 0.05237, 0.361]\n", + " PeriodicSite: Li (12.33, 4.358, 16.39) [0.6071, 0.2145, 0.8068]\n", + " PeriodicSite: Li (15.3, 12.35, 3.719) [0.7532, 0.6078, 0.1831]\n", + " PeriodicSite: Li (15.79, 8.39, 16.93) [0.7772, 0.413, 0.8335]\n", + " PeriodicSite: Li (3.058, 4.111, 8.663) [0.1506, 0.2024, 0.4265]\n", + " PeriodicSite: Li (3.917, 0.6097, 17.29) [0.1929, 0.03001, 0.8514]\n", + " PeriodicSite: Li (5.991, 9.882, 7.106) [0.2949, 0.4865, 0.3498]\n", + " PeriodicSite: Li (5.672, 11.25, 12.83) [0.2793, 0.554, 0.6315]\n", + " PeriodicSite: Li (12.35, 4.67, 5.922) [0.6078, 0.2299, 0.2915]\n", + " PeriodicSite: Li (13.93, 5.867, 19.02) [0.6859, 0.2889, 0.9364]\n", + " PeriodicSite: Li (10.37, 8.117, 11.14) [0.5107, 0.3996, 0.5484]\n", + " PeriodicSite: Li (12.44, 15.01, 16.95) [0.6125, 0.739, 0.8346]\n", + " PeriodicSite: Li (3.01, 20.12, 6.354) [0.1482, 0.9903, 0.3128]\n", + " PeriodicSite: Li (3.068, 2.375, 15.51) [0.151, 0.1169, 0.7635]\n", + " PeriodicSite: Li (3.236, 11.16, 6.587) [0.1593, 0.5494, 0.3243]\n", + " PeriodicSite: Li (6.294, 11.75, 16.34) [0.3099, 0.5784, 0.8044]\n", + " PeriodicSite: Li (11.73, 0.6193, 8.469) [0.5776, 0.03048, 0.417]\n", + " PeriodicSite: Li (10.72, 1.848, 18.61) [0.5278, 0.091, 0.9164]\n", + " PeriodicSite: Li (14.08, 13.61, 9.711) [0.6933, 0.6701, 0.4781]\n", + " PeriodicSite: Li (10.91, 12.74, 19.22) [0.5369, 0.6274, 0.9461]\n", + " PeriodicSite: Li (0.5532, 1.5, 8.8) [0.02724, 0.07383, 0.4333]\n", + " PeriodicSite: Li (2.976, 2.982, 20.08) [0.1465, 0.1468, 0.9886]\n", + " PeriodicSite: Li (0.1851, 13.37, 7.653) [0.009111, 0.6584, 0.3768]\n", + " PeriodicSite: Li (4.808, 13.43, 19.0) [0.2367, 0.6613, 0.9356]\n", + " PeriodicSite: Li (13.33, 1.275, 5.186) [0.6564, 0.06278, 0.2553]\n", + " PeriodicSite: Li (13.44, 20.29, 16.71) [0.6617, 0.9989, 0.8224]\n", + " PeriodicSite: Li (11.07, 12.21, 9.278) [0.5448, 0.601, 0.4568]\n", + " PeriodicSite: Li (15.65, 14.61, 18.46) [0.7703, 0.7195, 0.9087]\n", + " PeriodicSite: Li (5.415, 1.718, 5.763) [0.2666, 0.08458, 0.2837]\n", + " PeriodicSite: Li (0.5873, 2.228, 18.64) [0.02892, 0.1097, 0.9177]\n", + " PeriodicSite: Li (5.046, 13.51, 8.192) [0.2484, 0.6651, 0.4033]\n", + " PeriodicSite: Li (1.638, 17.85, 14.81) [0.08064, 0.8788, 0.7292]\n", + " PeriodicSite: Li (14.96, 4.262, 7.869) [0.7363, 0.2098, 0.3874]\n", + " PeriodicSite: Li (13.45, 2.933, 20.26) [0.6621, 0.1444, 0.9976]\n", + " PeriodicSite: Li (16.75, 15.53, 8.525) [0.8245, 0.7646, 0.4197]\n", + " PeriodicSite: Li (13.51, 13.65, 1.274) [0.6649, 0.6722, 0.06273]\n", + " PeriodicSite: Li (6.026, 0.7302, 2.841) [0.2967, 0.03594, 0.1399]\n", + " PeriodicSite: Li (4.829, 3.235, 18.31) [0.2378, 0.1592, 0.9016]\n", + " PeriodicSite: Li (1.858, 13.68, 5.63) [0.09146, 0.6737, 0.2772]\n", + " PeriodicSite: Li (19.84, 13.18, 2.934) [0.9769, 0.6487, 0.1444]\n", + " PeriodicSite: Li (10.42, 2.992, 7.065) [0.5131, 0.1473, 0.3478]\n", + " PeriodicSite: Li (17.05, 20.3, 16.95) [0.8396, 0.9992, 0.8345]\n", + " PeriodicSite: Li (15.21, 11.34, 6.979) [0.749, 0.5583, 0.3436]\n", + " PeriodicSite: Li (12.89, 11.31, 16.03) [0.6347, 0.5568, 0.7891]\n", + " PeriodicSite: Li (2.741, 10.21, 17.13) [0.135, 0.5027, 0.8432]\n", + " PeriodicSite: Li (1.984, 11.1, 9.29) [0.09768, 0.5462, 0.4573]\n", + " PeriodicSite: Li (4.601, 16.82, 18.51) [0.2265, 0.828, 0.9111]\n", + " PeriodicSite: Li (1.996, 18.17, 10.42) [0.09828, 0.8944, 0.5132]\n", + " PeriodicSite: Li (14.35, 5.574, 2.245) [0.7066, 0.2744, 0.1105]\n", + " PeriodicSite: Li (13.59, 8.36, 14.63) [0.6688, 0.4116, 0.7203]\n", + " PeriodicSite: Li (11.75, 15.15, 6.759) [0.5785, 0.7457, 0.3327]\n", + " PeriodicSite: Li (14.62, 18.26, 14.39) [0.7198, 0.8988, 0.7085]\n", + " PeriodicSite: Li (3.529, 4.804, 2.021) [0.1737, 0.2365, 0.09948]\n", + " PeriodicSite: Li (2.995, 4.818, 11.85) [0.1475, 0.2372, 0.5835]\n", + " PeriodicSite: Li (4.861, 17.45, 1.411) [0.2393, 0.859, 0.06946]\n", + " PeriodicSite: Li (4.561, 18.75, 14.17) [0.2245, 0.923, 0.6974]\n", + " PeriodicSite: Li (16.49, 6.669, 0.01546) [0.812, 0.3283, 0.000766]\n", + " PeriodicSite: Li (12.73, 5.2, 12.44) [0.6269, 0.256, 0.6122]\n", + " PeriodicSite: Li (12.57, 18.21, 4.477) [0.6188, 0.8963, 0.2204]\n", + " PeriodicSite: Li (10.76, 17.63, 13.86) [0.5298, 0.8677, 0.6822]\n", + " PeriodicSite: Li (1.471, 8.453, 0.8641) [0.07241, 0.4161, 0.04254]\n", + " PeriodicSite: Li (4.487, 7.326, 10.32) [0.2209, 0.3606, 0.5079]\n", + " PeriodicSite: Li (2.633, 15.58, 0.9101) [0.1296, 0.767, 0.04481]\n", + " PeriodicSite: Li (4.453, 17.08, 11.73) [0.2192, 0.841, 0.5772]\n", + " PeriodicSite: Li (12.55, 9.373, 0.6631) [0.6177, 0.4614, 0.03265]\n", + " PeriodicSite: Li (10.9, 7.268, 13.83) [0.5366, 0.3578, 0.6811]\n", + " PeriodicSite: Li (11.48, 15.37, 2.924) [0.565, 0.7566, 0.144]\n", + " PeriodicSite: Li (13.76, 15.39, 12.42) [0.6776, 0.7575, 0.6114]\n", + " PeriodicSite: Li (0.6809, 5.794, 2.957) [0.03352, 0.2852, 0.1456]\n", + " PeriodicSite: Li (18.34, 8.579, 10.37) [0.9027, 0.4223, 0.5103]\n", + " PeriodicSite: Li (0.5096, 17.46, 3.082) [0.02508, 0.8595, 0.1517]\n", + " PeriodicSite: Li (0.4296, 20.0, 12.59) [0.02115, 0.9848, 0.6197]\n", + " PeriodicSite: Li (10.15, 5.787, 2.931) [0.4995, 0.2849, 0.1443]\n", + " PeriodicSite: Li (13.49, 9.84, 12.67) [0.6642, 0.4844, 0.6239]\n", + " PeriodicSite: Li (12.98, 16.29, 0.08975) [0.6392, 0.8017, 0.004423]\n", + " PeriodicSite: Li (8.11, 16.12, 16.34) [0.3992, 0.7938, 0.8042]\n", + " PeriodicSite: Li (4.101, 7.516, 5.082) [0.2019, 0.37, 0.2502]\n", + " PeriodicSite: Li (0.5985, 8.539, 12.13) [0.02947, 0.4204, 0.597]\n", + " PeriodicSite: Li (1.617, 18.76, 0.3825) [0.07958, 0.9233, 0.01883]\n", + " PeriodicSite: Li (2.988, 0.2808, 13.15) [0.1471, 0.01382, 0.6472]\n", + " PeriodicSite: Li (15.24, 9.095, 2.613) [0.7505, 0.4477, 0.1286]\n", + " PeriodicSite: Li (13.53, 7.048, 9.736) [0.6661, 0.347, 0.4793]\n", + " PeriodicSite: Li (12.42, 19.71, 1.397) [0.6112, 0.9703, 0.06877]\n", + " PeriodicSite: Li (14.06, 17.7, 10.63) [0.692, 0.8714, 0.5234]\n", + " PeriodicSite: Li (6.383, 4.379, 2.232) [0.3143, 0.2156, 0.1099]\n", + " PeriodicSite: Li (4.347, 8.279, 13.99) [0.214, 0.4076, 0.6886]\n", + " PeriodicSite: Li (3.713, 17.71, 4.389) [0.1828, 0.872, 0.2161]\n", + " PeriodicSite: Li (1.194, 16.19, 12.88) [0.05879, 0.797, 0.6339]\n", + " PeriodicSite: Li (12.64, 11.12, 5.613) [0.6223, 0.5472, 0.2763]\n", + " PeriodicSite: Li (14.98, 6.66, 11.98) [0.7374, 0.3279, 0.59]\n", + " PeriodicSite: Li (14.6, 16.46, 2.001) [0.7187, 0.8104, 0.09854]\n", + " PeriodicSite: Li (17.1, 2.027, 15.37) [0.8416, 0.09981, 0.7569]\n", + " PeriodicSite: Li (9.602, 2.583, 3.469) [0.4727, 0.1272, 0.1708]\n", + " PeriodicSite: Li (8.746, 4.643, 13.35) [0.4306, 0.2286, 0.6573]\n", + " PeriodicSite: Li (6.586, 10.59, 2.538) [0.3242, 0.5214, 0.125]\n", + " PeriodicSite: Li (3.238, 12.15, 15.12) [0.1594, 0.598, 0.7442]\n", + " PeriodicSite: Li (17.19, 1.715, 4.755) [0.8464, 0.08443, 0.2341]\n", + " PeriodicSite: Li (13.21, 3.421, 9.72) [0.6503, 0.1684, 0.4785]\n", + " PeriodicSite: Li (18.5, 10.88, 1.988) [0.9107, 0.5356, 0.0979]\n", + " PeriodicSite: Li (16.85, 9.715, 13.77) [0.8294, 0.4783, 0.678]\n", + " PeriodicSite: Li (6.995, 18.74, 4.996) [0.3444, 0.9226, 0.246]\n", + " PeriodicSite: Li (5.978, 2.599, 14.6) [0.2943, 0.128, 0.7188]\n", + " PeriodicSite: Li (6.786, 13.69, 0.5095) [0.3341, 0.674, 0.02509]\n", + " PeriodicSite: Li (9.859, 13.6, 12.93) [0.4853, 0.6693, 0.6365]\n", + " PeriodicSite: Li (15.9, 0.1592, 2.962) [0.7826, 0.007828, 0.1458]\n", + " PeriodicSite: Li (18.62, 2.03, 10.57) [0.9165, 0.09996, 0.5205]\n", + " PeriodicSite: Li (17.47, 10.98, 4.636) [0.8598, 0.5406, 0.2282]\n", + " PeriodicSite: Li (17.3, 14.9, 12.67) [0.8519, 0.7337, 0.6236]\n", + " PeriodicSite: Li (8.405, 5.496, 6.221) [0.4138, 0.2706, 0.3063]\n", + " PeriodicSite: Li (9.398, 1.426, 13.0) [0.4627, 0.07018, 0.6398]\n", + " PeriodicSite: Li (9.002, 13.04, 4.691) [0.4432, 0.6418, 0.2309]\n", + " PeriodicSite: Li (7.214, 14.36, 9.853) [0.3552, 0.7069, 0.4851]\n", + " PeriodicSite: Li (19.98, 1.6, 2.31) [0.9836, 0.07877, 0.1137]\n", + " PeriodicSite: Li (19.52, 4.016, 12.69) [0.9611, 0.1977, 0.6248]\n", + " PeriodicSite: Li (17.02, 15.13, 1.793) [0.8379, 0.7449, 0.0883]\n", + " PeriodicSite: Li (15.39, 12.13, 13.41) [0.7578, 0.5973, 0.6604]\n", + " PeriodicSite: Li (3.291, 19.93, 3.102) [0.162, 0.9812, 0.1527]\n", + " PeriodicSite: Li (6.229, 0.7249, 13.08) [0.3067, 0.03569, 0.6439]\n", + " PeriodicSite: Li (5.353, 14.48, 2.372) [0.2635, 0.713, 0.1168]\n", + " PeriodicSite: Li (7.606, 8.18, 15.53) [0.3745, 0.4027, 0.7645]\n", + " PeriodicSite: Li (18.38, 4.241, 3.325) [0.905, 0.2088, 0.1637]\n", + " PeriodicSite: Li (17.11, 20.01, 13.58) [0.8423, 0.9849, 0.6687]\n", + " PeriodicSite: Li (16.08, 12.66, 0.9558) [0.7915, 0.6231, 0.04706]\n", + " PeriodicSite: Li (19.53, 12.38, 11.16) [0.9614, 0.6092, 0.5494]\n", + " PeriodicSite: Li (7.183, 2.861, 20.05) [0.3536, 0.1408, 0.9873]\n", + " PeriodicSite: Li (5.334, 2.813, 11.03) [0.2626, 0.1385, 0.543]\n", + " PeriodicSite: Li (9.507, 11.76, 2.138) [0.468, 0.5788, 0.1052]\n", + " PeriodicSite: Li (7.599, 10.69, 10.73) [0.3741, 0.5261, 0.5281]\n", + " PeriodicSite: Li (15.54, 2.883, 2.031) [0.765, 0.1419, 0.09997]\n", + " PeriodicSite: Li (15.54, 3.76, 12.21) [0.7648, 0.1851, 0.6012]\n", + " PeriodicSite: Li (1.859, 11.94, 0.2151) [0.0915, 0.5876, 0.01059]\n", + " PeriodicSite: Li (19.33, 13.29, 14.51) [0.9518, 0.6541, 0.7145]\n", + " PeriodicSite: Li (8.57, 0.1816, 1.63) [0.4219, 0.008934, 0.08024]\n", + " PeriodicSite: Li (8.383, 2.337, 10.27) [0.4127, 0.1151, 0.5054]\n", + " PeriodicSite: Li (5.686, 12.02, 4.411) [0.2799, 0.5918, 0.2172]\n", + " PeriodicSite: Li (5.796, 14.27, 12.31) [0.2854, 0.7026, 0.6062]\n", + " PeriodicSite: Li (17.48, 3.908, 0.4459) [0.8605, 0.1924, 0.02196]\n", + " PeriodicSite: Li (1.735, 7.217, 14.84) [0.08543, 0.3553, 0.7305]\n", + " PeriodicSite: Li (3.058, 15.45, 8.591) [0.1505, 0.7606, 0.423]\n", + " PeriodicSite: Li (16.83, 12.91, 10.64) [0.8284, 0.6354, 0.524]\n", + " PeriodicSite: Li (13.24, 8.54, 4.744) [0.6517, 0.4204, 0.2336]\n", + " PeriodicSite: Li (5.38, 8.536, 16.99) [0.2649, 0.4203, 0.8365]\n", + " PeriodicSite: Li (5.78, 17.2, 9.136) [0.2846, 0.8467, 0.4498]\n", + " PeriodicSite: Li (7.274, 16.13, 19.49) [0.3581, 0.7942, 0.9596]\n", + " PeriodicSite: Li (15.82, 8.164, 6.855) [0.7789, 0.4019, 0.3375]\n", + " PeriodicSite: Li (3.26, 5.615, 18.81) [0.1605, 0.2764, 0.926]\n", + " PeriodicSite: Li (16.99, 18.17, 5.609) [0.8363, 0.8948, 0.2762]\n", + " PeriodicSite: Li (19.99, 19.19, 18.39) [0.9843, 0.9445, 0.9052]\n", + " PeriodicSite: Li (7.049, 8.787, 4.84) [0.347, 0.4326, 0.2383]\n", + " PeriodicSite: Li (8.147, 5.394, 17.07) [0.4011, 0.2656, 0.8405]\n", + " PeriodicSite: Li (8.227, 20.28, 8.063) [0.405, 0.9983, 0.3969]\n", + " PeriodicSite: Li (6.884, 19.98, 15.79) [0.3389, 0.9837, 0.7776]\n", + " PeriodicSite: Li (18.46, 9.847, 7.818) [0.909, 0.4848, 0.3849]\n", + " PeriodicSite: Li (18.5, 7.371, 15.29) [0.9107, 0.3629, 0.7529]\n", + " PeriodicSite: Li (17.85, 20.2, 8.06) [0.8787, 0.9945, 0.3968]\n", + " PeriodicSite: Li (18.25, 16.34, 16.54) [0.8983, 0.8047, 0.8143]\n", + " PeriodicSite: Li (6.012, 5.167, 8.139) [0.296, 0.2544, 0.4007]\n", + " PeriodicSite: Li (6.135, 6.765, 19.89) [0.302, 0.333, 0.979]\n", + " PeriodicSite: Li (9.024, 18.09, 9.839) [0.4443, 0.8906, 0.4844]\n", + " PeriodicSite: Li (10.43, 12.9, 15.71) [0.5135, 0.635, 0.7732]\n", + " PeriodicSite: Li (20.31, 7.887, 8.03) [0.9997, 0.3883, 0.3953]\n", + " PeriodicSite: Li (18.77, 5.786, 17.41) [0.9241, 0.2848, 0.8569]\n", + " PeriodicSite: Li (17.26, 17.24, 10.33) [0.8495, 0.8486, 0.5085]\n", + " PeriodicSite: Li (17.15, 16.97, 20.05) [0.8444, 0.8357, 0.987]\n", + " PeriodicSite: Li (9.186, 8.638, 7.864) [0.4523, 0.4252, 0.3871]\n", + " PeriodicSite: Li (9.169, 7.782, 20.15) [0.4514, 0.3831, 0.9919]\n", + " PeriodicSite: Li (5.632, 19.22, 7.456) [0.2773, 0.9461, 0.3671]\n", + " PeriodicSite: Li (7.974, 15.12, 3.191) [0.3925, 0.7442, 0.1571]\n", + " PeriodicSite: Li (17.23, 5.987, 9.541) [0.8482, 0.2948, 0.4697]\n", + " PeriodicSite: Li (19.26, 10.11, 18.76) [0.9482, 0.4977, 0.9236]\n", + " PeriodicSite: Li (15.04, 18.44, 7.148) [0.7404, 0.9079, 0.3519]\n", + " PeriodicSite: Li (15.58, 18.52, 17.09) [0.7669, 0.9119, 0.8415]\n", + " PeriodicSite: Li (6.62, 5.312, 11.63) [0.3259, 0.2615, 0.5726]\n", + " PeriodicSite: Li (8.096, 9.645, 18.73) [0.3986, 0.4748, 0.9222]\n", + " PeriodicSite: Li (9.869, 17.79, 7.105) [0.4859, 0.8757, 0.3498]\n", + " PeriodicSite: Li (9.968, 18.35, 1.874) [0.4907, 0.9033, 0.09226]\n", + " PeriodicSite: Li (18.54, 7.597, 5.169) [0.9129, 0.374, 0.2545]\n", + " PeriodicSite: Li (15.5, 3.141, 18.33) [0.7632, 0.1546, 0.9026]\n", + " PeriodicSite: Li (19.48, 17.08, 7.031) [0.9589, 0.8409, 0.3461]\n", + " PeriodicSite: Li (18.19, 0.4837, 0.3404) [0.8956, 0.0238, 0.01676]\n", + " PeriodicSite: Li (3.088, 9.828, 3.344) [0.152, 0.4838, 0.1646]\n", + " PeriodicSite: Li (10.32, 7.598, 17.5) [0.5081, 0.374, 0.8617]\n", + " PeriodicSite: Li (7.812, 15.78, 6.567) [0.3846, 0.7769, 0.3233]\n", + " PeriodicSite: Li (8.395, 19.51, 18.81) [0.4133, 0.9606, 0.9262]\n", + " PeriodicSite: Li (18.62, 5.065, 6.807) [0.9165, 0.2493, 0.3351]\n", + " PeriodicSite: Li (16.8, 11.47, 16.39) [0.8268, 0.5649, 0.8069]\n", + " PeriodicSite: Li (18.1, 14.59, 4.543) [0.8908, 0.7185, 0.2237]\n", + " PeriodicSite: Li (14.16, 1.428, 13.83) [0.6972, 0.07032, 0.6808]\n", + " PeriodicSite: Cl (7.377, 12.62, 12.12) [0.3632, 0.6212, 0.5967]\n", + " PeriodicSite: Cl (3.095, 13.06, 17.46) [0.1524, 0.6429, 0.8598]\n", + " PeriodicSite: Cl (12.87, 17.67, 12.89) [0.6335, 0.8699, 0.6348]\n", + " PeriodicSite: Cl (18.02, 7.789, 17.93) [0.887, 0.3835, 0.8829]\n", + " PeriodicSite: Cl (7.656, 2.426, 2.304) [0.3769, 0.1194, 0.1134]\n", + " PeriodicSite: Cl (7.43, 7.493, 6.921) [0.3658, 0.3689, 0.3407]\n", + " PeriodicSite: Cl (12.65, 12.79, 7.569) [0.6227, 0.6298, 0.3726]\n", + " PeriodicSite: Cl (2.334, 7.438, 3.226) [0.1149, 0.3662, 0.1588]\n", + " PeriodicSite: Cl (2.444, 7.478, 12.77) [0.1203, 0.3682, 0.6286]\n", + " PeriodicSite: Cl (12.2, 12.73, 17.53) [0.6005, 0.6266, 0.8629]\n", + " PeriodicSite: Cl (17.8, 18.44, 17.56) [0.8765, 0.9078, 0.8644]\n", + " PeriodicSite: Cl (2.46, 2.181, 7.484) [0.1211, 0.1074, 0.3684]\n", + " PeriodicSite: Cl (13.05, 2.082, 18.11) [0.6425, 0.1025, 0.8917]\n", + " PeriodicSite: Cl (13.15, 7.767, 2.377) [0.6475, 0.3824, 0.117]\n", + " PeriodicSite: Cl (17.65, 2.537, 12.81) [0.869, 0.1249, 0.6307]\n", + " PeriodicSite: Cl (7.364, 17.59, 17.91) [0.3626, 0.866, 0.8817]\n", + " PeriodicSite: Cl (0.04731, 0.05787, 0.2386) [0.002329, 0.002849, 0.01175]\n", + " PeriodicSite: Cl (20.06, 0.1195, 10.35) [0.9874, 0.005875, 0.5095]\n", + " PeriodicSite: Cl (0.1202, 10.11, 0.4005) [0.005915, 0.4978, 0.01972]\n", + " PeriodicSite: Cl (20.21, 9.854, 10.11) [0.9951, 0.4851, 0.4978]\n", + " PeriodicSite: Cl (10.07, 0.01105, 0.06343) [0.4959, 0.0005396, 0.003126]\n", + " PeriodicSite: Cl (9.515, 0.2601, 9.735) [0.4684, 0.0128, 0.4793]\n", + " PeriodicSite: Cl (10.26, 10.1, 0.2534) [0.5052, 0.4974, 0.01248]\n", + " PeriodicSite: Cl (9.357, 9.795, 9.72) [0.4607, 0.4822, 0.4785]\n", + " PeriodicSite: Cl (19.91, 4.892, 4.936) [0.98, 0.2408, 0.243]\n", + " PeriodicSite: Cl (20.11, 5.51, 15.16) [0.9902, 0.2713, 0.7463]\n", + " PeriodicSite: Cl (20.18, 14.92, 5.47) [0.9936, 0.7344, 0.2693]\n", + " PeriodicSite: Cl (0.1031, 15.95, 15.1) [0.005072, 0.7851, 0.7435]\n", + " PeriodicSite: Cl (10.08, 4.478, 4.963) [0.4964, 0.2204, 0.2443]\n", + " PeriodicSite: Cl (10.5, 5.547, 15.29) [0.5172, 0.2731, 0.7528]\n", + " PeriodicSite: Cl (9.91, 15.29, 4.897) [0.4879, 0.7529, 0.2411]\n", + " PeriodicSite: Cl (10.15, 15.36, 15.46) [0.4996, 0.7562, 0.7613]\n", + " PeriodicSite: S (5.075, 19.93, 4.846) [0.2499, 0.9811, 0.2386]\n", + " PeriodicSite: S (4.936, 0.5747, 14.97) [0.243, 0.02829, 0.7368]\n", + " PeriodicSite: S (4.741, 9.79, 5.057) [0.2334, 0.482, 0.2489]\n", + " PeriodicSite: S (4.917, 10.29, 15.4) [0.2421, 0.5064, 0.7582]\n", + " PeriodicSite: S (15.31, 20.21, 5.147) [0.7535, 0.9947, 0.2534]\n", + " PeriodicSite: S (15.42, 0.04256, 15.2) [0.7594, 0.002089, 0.7481]\n", + " PeriodicSite: S (15.28, 10.02, 5.036) [0.752, 0.4933, 0.2479]\n", + " PeriodicSite: S (15.05, 10.49, 15.08) [0.7411, 0.5162, 0.7424]\n", + " PeriodicSite: S (5.108, 4.649, 0.2198) [0.2515, 0.2289, 0.01082]\n", + " PeriodicSite: S (4.801, 5.139, 10.4) [0.2364, 0.253, 0.5119]\n", + " PeriodicSite: S (4.999, 15.34, 0.2219) [0.2461, 0.7554, 0.01093]\n", + " PeriodicSite: S (4.978, 15.19, 10.25) [0.2451, 0.748, 0.5045]\n", + " PeriodicSite: S (15.26, 4.642, 0.1403) [0.7515, 0.2285, 0.006914]\n", + " PeriodicSite: S (14.78, 5.214, 10.26) [0.7276, 0.2567, 0.5051]\n", + " PeriodicSite: S (15.14, 15.15, 0.3102) [0.7454, 0.7459, 0.01528]\n", + " PeriodicSite: S (15.49, 15.25, 10.56) [0.7623, 0.7508, 0.52]\n", + " PeriodicSite: S (8.494, 4.392, 8.888) [0.4182, 0.2162, 0.4376]\n", + " PeriodicSite: S (9.027, 3.732, 18.89) [0.4444, 0.1837, 0.93]\n", + " PeriodicSite: S (9.24, 13.99, 8.363) [0.4549, 0.6885, 0.4117]\n", + " PeriodicSite: S (8.638, 13.77, 19.3) [0.4253, 0.678, 0.9502]\n", + " PeriodicSite: S (19.18, 3.77, 8.739) [0.9441, 0.1856, 0.4303]\n", + " PeriodicSite: S (19.36, 3.864, 18.93) [0.9529, 0.1902, 0.9321]\n", + " PeriodicSite: S (18.82, 14.03, 9.212) [0.9265, 0.6908, 0.4535]\n", + " PeriodicSite: S (18.45, 14.65, 19.19) [0.9084, 0.7215, 0.9448]\n", + " PeriodicSite: S (3.998, 1.225, 1.358) [0.1968, 0.06029, 0.06686]\n", + " PeriodicSite: S (3.855, 1.104, 11.14) [0.1898, 0.05435, 0.5486]\n", + " PeriodicSite: S (4.163, 11.22, 1.532) [0.205, 0.5526, 0.07544]\n", + " PeriodicSite: S (3.565, 11.51, 11.43) [0.1755, 0.5668, 0.5625]\n", + " PeriodicSite: S (14.16, 1.023, 1.212) [0.697, 0.05037, 0.05966]\n", + " PeriodicSite: S (13.89, 1.643, 11.39) [0.6838, 0.08089, 0.561]\n", + " PeriodicSite: S (14.04, 11.25, 0.7013) [0.6913, 0.5539, 0.03453]\n", + " PeriodicSite: S (14.17, 11.73, 11.11) [0.6978, 0.5774, 0.547]\n", + " PeriodicSite: S (6.13, 1.006, 8.85) [0.3018, 0.04954, 0.4357]\n", + " PeriodicSite: S (6.022, 1.068, 18.8) [0.2965, 0.05257, 0.9254]\n", + " PeriodicSite: S (5.97, 11.29, 9.031) [0.2939, 0.5558, 0.4446]\n", + " PeriodicSite: S (6.162, 11.38, 19.24) [0.3033, 0.5601, 0.947]\n", + " PeriodicSite: S (16.5, 1.504, 9.432) [0.8124, 0.07405, 0.4644]\n", + " PeriodicSite: S (16.48, 1.244, 18.97) [0.8115, 0.06126, 0.9341]\n", + " PeriodicSite: S (16.83, 11.14, 8.912) [0.8285, 0.5486, 0.4388]\n", + " PeriodicSite: S (16.73, 11.6, 19.16) [0.8236, 0.5711, 0.943]\n", + " PeriodicSite: S (1.178, 3.72, 1.3) [0.058, 0.1831, 0.06399]\n", + " PeriodicSite: S (0.9617, 3.919, 11.27) [0.04735, 0.1929, 0.5549]\n", + " PeriodicSite: S (0.9172, 13.98, 0.937) [0.04515, 0.6884, 0.04613]\n", + " PeriodicSite: S (1.057, 14.13, 11.52) [0.05201, 0.6959, 0.5671]\n", + " PeriodicSite: S (11.3, 3.904, 1.243) [0.5562, 0.1922, 0.06121]\n", + " PeriodicSite: S (11.08, 3.617, 11.23) [0.5453, 0.1781, 0.5528]\n", + " PeriodicSite: S (11.12, 13.7, 1.248) [0.5477, 0.6742, 0.06143]\n", + " PeriodicSite: S (11.24, 14.02, 10.95) [0.5532, 0.6903, 0.5392]\n", + " PeriodicSite: S (2.526, 2.89, 17.71) [0.1244, 0.1423, 0.8717]\n", + " PeriodicSite: S (2.464, 12.89, 7.943) [0.1213, 0.6346, 0.3911]\n", + " PeriodicSite: S (12.81, 2.493, 7.358) [0.6308, 0.1227, 0.3622]\n", + " PeriodicSite: S (9.193, 9.118, 3.293) [0.4526, 0.4489, 0.1621]\n", + " PeriodicSite: S (8.929, 8.913, 13.69) [0.4396, 0.4388, 0.6741]\n", + " PeriodicSite: S (8.803, 19.28, 3.76) [0.4334, 0.9492, 0.1851]\n", + " PeriodicSite: S (8.948, 19.35, 14.07) [0.4405, 0.9525, 0.6928]\n", + " PeriodicSite: S (19.38, 9.351, 3.891) [0.9541, 0.4604, 0.1916]\n", + " PeriodicSite: S (19.15, 9.214, 13.89) [0.943, 0.4536, 0.684]\n", + " PeriodicSite: S (18.83, 19.05, 4.029) [0.9272, 0.9379, 0.1984]\n", + " PeriodicSite: S (19.39, 19.19, 14.36) [0.9548, 0.9445, 0.707]\n", + " PeriodicSite: S (4.208, 5.712, 6.642) [0.2071, 0.2812, 0.327]\n", + " PeriodicSite: S (3.795, 6.565, 16.43) [0.1868, 0.3232, 0.8088]\n", + " PeriodicSite: S (4.068, 16.41, 6.658) [0.2003, 0.8081, 0.3278]\n", + " PeriodicSite: S (3.557, 16.82, 16.26) [0.1751, 0.828, 0.8007]\n", + " PeriodicSite: S (14.36, 6.088, 6.411) [0.7071, 0.2997, 0.3156]\n", + " PeriodicSite: S (14.21, 6.455, 16.49) [0.6997, 0.3178, 0.8119]\n", + " PeriodicSite: S (13.63, 16.45, 6.335) [0.6712, 0.8098, 0.3119]\n", + " PeriodicSite: S (14.6, 16.26, 17.09) [0.7189, 0.8004, 0.8415]\n", + " PeriodicSite: S (6.062, 6.293, 3.908) [0.2984, 0.3098, 0.1924]\n", + " PeriodicSite: S (6.352, 6.534, 14.28) [0.3127, 0.3217, 0.7031]\n", + " PeriodicSite: S (6.165, 16.34, 3.988) [0.3035, 0.8046, 0.1964]\n", + " PeriodicSite: S (6.277, 16.82, 14.32) [0.309, 0.8283, 0.7052]\n", + " PeriodicSite: S (16.61, 6.024, 3.935) [0.8175, 0.2965, 0.1937]\n", + " PeriodicSite: S (16.72, 6.241, 14.14) [0.8232, 0.3073, 0.6961]\n", + " PeriodicSite: S (16.0, 16.31, 3.991) [0.7875, 0.8032, 0.1965]\n", + " PeriodicSite: S (16.53, 16.62, 14.31) [0.8138, 0.818, 0.7047]\n", + " PeriodicSite: S (1.261, 9.322, 6.411) [0.06209, 0.4589, 0.3156]\n", + " PeriodicSite: S (0.7711, 8.898, 16.38) [0.03796, 0.438, 0.8063]\n", + " PeriodicSite: S (1.065, 18.59, 6.081) [0.0524, 0.9151, 0.2994]\n", + " PeriodicSite: S (1.392, 19.67, 16.66) [0.06852, 0.9683, 0.82]\n", + " PeriodicSite: S (11.18, 8.988, 6.084) [0.5504, 0.4425, 0.2995]\n", + " PeriodicSite: S (11.61, 8.862, 15.78) [0.5717, 0.4363, 0.777]\n", + " PeriodicSite: S (11.26, 19.33, 6.275) [0.5542, 0.9518, 0.3089]\n", + " PeriodicSite: S (11.64, 18.63, 16.05) [0.5731, 0.9169, 0.7902]\n", + " PeriodicSite: S (2.689, 17.67, 2.198) [0.1324, 0.87, 0.1082]\n", + " PeriodicSite: S (2.268, 18.42, 12.69) [0.1117, 0.907, 0.6246]\n", + " PeriodicSite: S (12.7, 7.691, 12.31) [0.6252, 0.3786, 0.606]\n", + " PeriodicSite: S (12.32, 17.48, 2.172) [0.6063, 0.8603, 0.107]\n", + " PeriodicSite: S (4.158, 3.593, 3.947) [0.2047, 0.1769, 0.1943]\n", + " PeriodicSite: S (4.071, 4.308, 14.08) [0.2004, 0.2121, 0.6934]\n", + " PeriodicSite: S (3.682, 14.21, 4.123) [0.1812, 0.6998, 0.203]\n", + " PeriodicSite: S (3.752, 14.62, 13.91) [0.1847, 0.72, 0.6849]\n", + " PeriodicSite: S (13.93, 3.959, 3.954) [0.686, 0.1949, 0.1946]\n", + " PeriodicSite: S (14.24, 3.889, 14.44) [0.7009, 0.1915, 0.7107]\n", + " PeriodicSite: S (13.6, 13.97, 4.109) [0.6696, 0.6875, 0.2023]\n", + " PeriodicSite: S (14.3, 13.9, 14.57) [0.704, 0.6843, 0.7173]\n", + " PeriodicSite: S (8.941, 1.442, 5.793) [0.4402, 0.07096, 0.2852]\n", + " PeriodicSite: S (9.131, 0.4962, 17.0) [0.4495, 0.02443, 0.837]\n", + " PeriodicSite: S (8.506, 11.02, 6.092) [0.4188, 0.5425, 0.2999]\n", + " PeriodicSite: S (9.016, 11.04, 16.24) [0.4438, 0.5437, 0.7995]\n", + " PeriodicSite: S (19.32, 0.8864, 6.491) [0.9513, 0.04363, 0.3196]\n", + " PeriodicSite: S (19.13, 1.526, 16.35) [0.9419, 0.07514, 0.8052]\n", + " PeriodicSite: S (19.05, 11.45, 6.511) [0.9381, 0.5639, 0.3206]\n", + " PeriodicSite: S (19.09, 11.53, 16.42) [0.9398, 0.5676, 0.8083]\n", + " PeriodicSite: S (1.124, 0.8872, 3.967) [0.05535, 0.04368, 0.1953]\n", + " PeriodicSite: S (1.115, 1.779, 14.22) [0.05488, 0.08757, 0.7]\n", + " PeriodicSite: S (1.208, 11.85, 4.173) [0.05949, 0.5835, 0.2055]\n", + " PeriodicSite: S (1.251, 11.47, 13.98) [0.06161, 0.5649, 0.6883]\n", + " PeriodicSite: S (11.63, 0.7905, 3.538) [0.5727, 0.03891, 0.1742]\n", + " PeriodicSite: S (11.27, 1.304, 14.55) [0.555, 0.06421, 0.7163]\n", + " PeriodicSite: S (11.13, 11.71, 4.038) [0.5479, 0.5766, 0.1988]\n", + " PeriodicSite: S (11.09, 11.48, 13.75) [0.546, 0.5652, 0.6768]\n", + " PeriodicSite: S (6.616, 3.697, 6.095) [0.3257, 0.182, 0.3001]\n", + " PeriodicSite: S (6.299, 4.006, 16.55) [0.3101, 0.1972, 0.8146]\n", + " PeriodicSite: S (6.356, 13.96, 6.352) [0.3129, 0.6875, 0.3127]\n", + " PeriodicSite: S (6.157, 14.46, 16.56) [0.3031, 0.7117, 0.8152]\n", + " PeriodicSite: S (16.63, 3.583, 6.09) [0.8187, 0.1764, 0.2998]\n", + " PeriodicSite: S (16.73, 4.137, 16.55) [0.8237, 0.2037, 0.8146]\n", + " PeriodicSite: S (16.1, 13.97, 6.381) [0.7926, 0.6878, 0.3142]\n", + " PeriodicSite: S (16.94, 14.1, 16.51) [0.8338, 0.6941, 0.8128]\n", + " PeriodicSite: S (7.35, 2.711, 12.43) [0.3619, 0.1335, 0.6117]\n", + " PeriodicSite: S (7.347, 12.88, 2.674) [0.3617, 0.6342, 0.1316]\n", + " PeriodicSite: S (17.64, 1.979, 2.442) [0.8686, 0.09743, 0.1202]\n", + " PeriodicSite: S (17.56, 12.86, 3.01) [0.8645, 0.6332, 0.1482]\n", + " PeriodicSite: S (17.77, 12.56, 12.9) [0.8747, 0.6183, 0.6353]\n", + " PeriodicSite: S (3.564, 9.181, 9.154) [0.1755, 0.452, 0.4506]\n", + " PeriodicSite: S (3.707, 8.919, 19.21) [0.1825, 0.4391, 0.9455]\n", + " PeriodicSite: S (3.754, 18.73, 8.966) [0.1848, 0.922, 0.4414]\n", + " PeriodicSite: S (3.69, 19.14, 19.16) [0.1817, 0.9425, 0.9434]\n", + " PeriodicSite: S (14.14, 9.308, 8.756) [0.6959, 0.4582, 0.4311]\n", + " PeriodicSite: S (14.44, 8.837, 18.93) [0.7111, 0.435, 0.9318]\n", + " PeriodicSite: S (13.78, 19.58, 9.069) [0.6785, 0.9639, 0.4465]\n", + " PeriodicSite: S (14.15, 19.17, 18.99) [0.6968, 0.9438, 0.9349]\n", + " PeriodicSite: S (8.688, 5.778, 1.061) [0.4277, 0.2845, 0.05224]\n", + " PeriodicSite: S (9.013, 6.115, 11.77) [0.4437, 0.301, 0.5795]\n", + " PeriodicSite: S (8.708, 16.14, 1.237) [0.4287, 0.7948, 0.06092]\n", + " PeriodicSite: S (8.762, 16.16, 11.01) [0.4313, 0.7956, 0.5419]\n", + " PeriodicSite: S (19.04, 6.018, 1.14) [0.9375, 0.2963, 0.05615]\n", + " PeriodicSite: S (19.04, 6.053, 11.16) [0.9376, 0.298, 0.5496]\n", + " PeriodicSite: S (19.02, 16.43, 1.798) [0.9366, 0.8087, 0.08853]\n", + " PeriodicSite: S (18.87, 16.36, 11.81) [0.9287, 0.8053, 0.5816]\n", + " PeriodicSite: S (1.287, 6.399, 9.173) [0.06336, 0.315, 0.4516]\n", + " PeriodicSite: S (1.212, 6.449, 19.25) [0.05969, 0.3175, 0.9475]\n", + " PeriodicSite: S (0.7869, 16.56, 9.213) [0.03873, 0.8153, 0.4536]\n", + " PeriodicSite: S (0.6296, 16.82, 19.45) [0.03099, 0.828, 0.9573]\n", + " PeriodicSite: S (11.15, 6.415, 9.079) [0.5489, 0.3158, 0.4469]\n", + " PeriodicSite: S (11.25, 6.301, 19.24) [0.5539, 0.3102, 0.9472]\n", + " PeriodicSite: S (11.2, 16.69, 8.737) [0.5513, 0.8216, 0.4301]\n", + " PeriodicSite: S (10.85, 16.01, 18.95) [0.534, 0.7884, 0.9332]\n", + " PeriodicSite: S (6.354, 8.767, 0.9513) [0.3128, 0.4316, 0.04684]\n", + " PeriodicSite: S (5.844, 9.101, 11.52) [0.2877, 0.4481, 0.567]\n", + " PeriodicSite: S (6.384, 19.33, 1.071) [0.3143, 0.9515, 0.05275]\n", + " PeriodicSite: S (6.042, 18.81, 11.19) [0.2975, 0.9261, 0.5507]\n", + " PeriodicSite: S (16.76, 9.07, 1.017) [0.825, 0.4465, 0.05008]\n", + " PeriodicSite: S (16.26, 8.632, 11.39) [0.8006, 0.4249, 0.5606]\n", + " PeriodicSite: S (16.69, 19.14, 0.8746) [0.8219, 0.9423, 0.04306]\n", + " PeriodicSite: S (15.93, 19.32, 11.71) [0.7841, 0.9512, 0.5765]\n", + " PeriodicSite: S (7.636, 7.593, 17.93) [0.3759, 0.3738, 0.8829]\n", + " PeriodicSite: S (7.639, 17.95, 7.466) [0.3761, 0.8835, 0.3676]\n", + " PeriodicSite: S (18.09, 7.405, 7.492) [0.8904, 0.3646, 0.3688]\n", + " PeriodicSite: S (17.34, 17.8, 7.763) [0.8534, 0.8766, 0.3822]\n", + " PeriodicSite: P (4.895, 20.3, 20.29) [0.241, 0.9994, 0.9989]\n", + " PeriodicSite: P (4.987, 20.15, 10.07) [0.2455, 0.9918, 0.4957]\n", + " PeriodicSite: P (4.994, 10.11, 0.0118) [0.2458, 0.4979, 0.0005831]\n", + " PeriodicSite: P (4.757, 10.26, 10.31) [0.2342, 0.5051, 0.5077]\n", + " PeriodicSite: P (15.33, 20.26, 20.08) [0.7548, 0.9973, 0.9886]\n", + " PeriodicSite: P (15.14, 0.3277, 10.44) [0.7454, 0.01613, 0.5137]\n", + " PeriodicSite: P (15.6, 10.2, 19.99) [0.7682, 0.5023, 0.984]\n", + " PeriodicSite: P (15.31, 10.13, 10.13) [0.7537, 0.4985, 0.4987]\n", + " PeriodicSite: P (5.28, 4.893, 5.125) [0.2599, 0.2409, 0.2523]\n", + " PeriodicSite: P (5.128, 5.355, 15.48) [0.2525, 0.2636, 0.7622]\n", + " PeriodicSite: P (5.093, 15.16, 5.341) [0.2507, 0.7463, 0.2629]\n", + " PeriodicSite: P (4.913, 15.59, 15.26) [0.2419, 0.7675, 0.7512]\n", + " PeriodicSite: P (15.37, 4.902, 5.08) [0.7568, 0.2413, 0.2501]\n", + " PeriodicSite: P (15.5, 5.208, 15.35) [0.7631, 0.2564, 0.7559]\n", + " PeriodicSite: P (14.82, 15.22, 5.222) [0.7295, 0.7495, 0.2571]\n", + " PeriodicSite: P (15.47, 15.16, 15.52) [0.7615, 0.7465, 0.7641]\n", + " PeriodicSite: P (20.24, 19.98, 5.095) [0.9965, 0.9838, 0.2508]\n", + " PeriodicSite: P (0.1502, 0.3179, 15.36) [0.007397, 0.01565, 0.7562]\n", + " PeriodicSite: P (20.31, 10.58, 5.229) [0.9997, 0.521, 0.2574]\n", + " PeriodicSite: P (20.27, 10.34, 15.12) [0.9979, 0.5088, 0.7445]\n", + " PeriodicSite: P (10.16, 0.06807, 4.826) [0.5004, 0.003347, 0.2376]\n", + " PeriodicSite: P (10.39, 20.09, 15.5) [0.5115, 0.989, 0.763]\n", + " PeriodicSite: P (9.973, 10.24, 4.896) [0.491, 0.504, 0.241]\n", + " PeriodicSite: P (10.18, 10.07, 14.95) [0.5013, 0.4957, 0.7361]\n", + " PeriodicSite: P (0.2276, 5.062, 0.01384) [0.0112, 0.2492, 0.0006818]\n", + " PeriodicSite: P (0.007049, 5.068, 9.95) [0.0003474, 0.2495, 0.4899]\n", + " PeriodicSite: P (19.88, 15.36, 0.181) [0.9787, 0.7562, 0.008919]\n", + " PeriodicSite: P (20.05, 15.22, 10.43) [0.987, 0.7492, 0.5136]\n", + " PeriodicSite: P (10.04, 4.795, 20.27) [0.4944, 0.2361, 0.9979]\n", + " PeriodicSite: P (10.03, 5.094, 10.16) [0.4936, 0.2508, 0.5001]\n", + " PeriodicSite: P (9.913, 14.96, 0.0166) [0.488, 0.7364, 0.0008212]\n", + " PeriodicSite: P (10.13, 15.27, 9.743) [0.4985, 0.7518, 0.4797],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.779, 3.176, 5.382) [0.0876, 0.1564, 0.265]\n", + " PeriodicSite: Li (0.7565, 3.497, 16.88) [0.03725, 0.1722, 0.8308]\n", + " PeriodicSite: Li (3.469, 13.81, 10.63) [0.1708, 0.6798, 0.5235]\n", + " PeriodicSite: Li (2.159, 14.69, 15.68) [0.1063, 0.7231, 0.7721]\n", + " PeriodicSite: Li (14.98, 1.662, 7.264) [0.7373, 0.08181, 0.3576]\n", + " PeriodicSite: Li (12.39, 4.141, 16.12) [0.6098, 0.2039, 0.7937]\n", + " PeriodicSite: Li (15.41, 12.45, 4.065) [0.7586, 0.6129, 0.2001]\n", + " PeriodicSite: Li (15.85, 8.587, 16.71) [0.7805, 0.4227, 0.8228]\n", + " PeriodicSite: Li (3.099, 4.45, 8.621) [0.1525, 0.2191, 0.4244]\n", + " PeriodicSite: Li (3.596, 0.1595, 17.3) [0.177, 0.007852, 0.8517]\n", + " PeriodicSite: Li (5.521, 9.839, 7.299) [0.2718, 0.4844, 0.3593]\n", + " PeriodicSite: Li (5.66, 10.99, 13.18) [0.2786, 0.541, 0.6489]\n", + " PeriodicSite: Li (12.37, 4.396, 5.687) [0.6088, 0.2164, 0.28]\n", + " PeriodicSite: Li (13.52, 6.411, 19.3) [0.6658, 0.3156, 0.9501]\n", + " PeriodicSite: Li (10.59, 8.119, 11.13) [0.5212, 0.3997, 0.548]\n", + " PeriodicSite: Li (11.81, 14.91, 17.0) [0.5816, 0.7342, 0.8368]\n", + " PeriodicSite: Li (2.827, 20.17, 6.796) [0.1392, 0.9929, 0.3346]\n", + " PeriodicSite: Li (3.154, 2.104, 15.8) [0.1553, 0.1036, 0.778]\n", + " PeriodicSite: Li (3.271, 11.34, 6.188) [0.161, 0.5582, 0.3046]\n", + " PeriodicSite: Li (6.249, 11.68, 16.43) [0.3077, 0.5749, 0.8089]\n", + " PeriodicSite: Li (12.2, 0.5923, 8.888) [0.6004, 0.02915, 0.4376]\n", + " PeriodicSite: Li (10.68, 2.022, 18.33) [0.526, 0.09955, 0.9024]\n", + " PeriodicSite: Li (13.61, 13.87, 9.656) [0.6703, 0.6828, 0.4754]\n", + " PeriodicSite: Li (10.54, 12.06, 18.69) [0.5187, 0.5935, 0.9203]\n", + " PeriodicSite: Li (0.5329, 2.048, 8.803) [0.02623, 0.1008, 0.4334]\n", + " PeriodicSite: Li (3.229, 2.97, 0.1318) [0.159, 0.1462, 0.006492]\n", + " PeriodicSite: Li (0.3262, 13.82, 7.729) [0.01605, 0.6802, 0.3805]\n", + " PeriodicSite: Li (4.212, 13.84, 18.42) [0.2073, 0.6815, 0.9071]\n", + " PeriodicSite: Li (13.18, 1.418, 5.348) [0.6491, 0.06981, 0.2633]\n", + " PeriodicSite: Li (13.56, 0.1598, 16.9) [0.6676, 0.007861, 0.8319]\n", + " PeriodicSite: Li (11.01, 12.38, 8.553) [0.5418, 0.6093, 0.4211]\n", + " PeriodicSite: Li (15.7, 14.9, 18.65) [0.7728, 0.7336, 0.918]\n", + " PeriodicSite: Li (4.845, 1.796, 5.685) [0.2385, 0.0884, 0.2799]\n", + " PeriodicSite: Li (1.261, 0.9565, 18.81) [0.06211, 0.04709, 0.9259]\n", + " PeriodicSite: Li (5.148, 13.26, 8.529) [0.2534, 0.653, 0.4199]\n", + " PeriodicSite: Li (1.004, 17.79, 15.14) [0.04943, 0.8759, 0.7452]\n", + " PeriodicSite: Li (14.38, 4.618, 7.935) [0.7082, 0.2273, 0.3906]\n", + " PeriodicSite: Li (13.28, 3.246, 20.08) [0.6537, 0.1598, 0.9885]\n", + " PeriodicSite: Li (16.69, 15.44, 8.452) [0.8217, 0.76, 0.4161]\n", + " PeriodicSite: Li (13.55, 13.45, 1.091) [0.6669, 0.6622, 0.05372]\n", + " PeriodicSite: Li (5.586, 0.3789, 2.956) [0.275, 0.01865, 0.1455]\n", + " PeriodicSite: Li (5.068, 2.866, 18.26) [0.2495, 0.1411, 0.8991]\n", + " PeriodicSite: Li (1.895, 13.6, 5.483) [0.0933, 0.6693, 0.27]\n", + " PeriodicSite: Li (19.94, 13.75, 2.772) [0.9818, 0.6768, 0.1365]\n", + " PeriodicSite: Li (10.49, 2.279, 7.475) [0.5164, 0.1122, 0.368]\n", + " PeriodicSite: Li (17.17, 0.2258, 17.2) [0.8454, 0.01111, 0.8466]\n", + " PeriodicSite: Li (14.81, 11.73, 6.964) [0.7292, 0.5773, 0.3428]\n", + " PeriodicSite: Li (13.22, 10.43, 16.59) [0.6508, 0.5134, 0.8167]\n", + " PeriodicSite: Li (2.64, 10.45, 16.87) [0.13, 0.5144, 0.8307]\n", + " PeriodicSite: Li (1.758, 11.05, 9.161) [0.08654, 0.5438, 0.451]\n", + " PeriodicSite: Li (5.006, 17.16, 18.35) [0.2464, 0.8446, 0.9033]\n", + " PeriodicSite: Li (1.938, 18.52, 10.21) [0.09539, 0.9118, 0.5027]\n", + " PeriodicSite: Li (14.67, 6.289, 1.81) [0.7221, 0.3096, 0.0891]\n", + " PeriodicSite: Li (14.2, 7.707, 14.47) [0.6993, 0.3794, 0.7123]\n", + " PeriodicSite: Li (11.96, 15.34, 6.527) [0.5886, 0.7552, 0.3213]\n", + " PeriodicSite: Li (15.18, 18.66, 13.62) [0.7471, 0.9188, 0.6704]\n", + " PeriodicSite: Li (3.393, 5.633, 1.87) [0.167, 0.2773, 0.09206]\n", + " PeriodicSite: Li (3.508, 4.572, 11.68) [0.1727, 0.2251, 0.5748]\n", + " PeriodicSite: Li (5.062, 16.88, 1.689) [0.2492, 0.8311, 0.08315]\n", + " PeriodicSite: Li (3.841, 18.61, 14.75) [0.1891, 0.9162, 0.7263]\n", + " PeriodicSite: Li (16.67, 7.067, 19.76) [0.8208, 0.3479, 0.9727]\n", + " PeriodicSite: Li (12.92, 5.078, 12.39) [0.6362, 0.25, 0.6099]\n", + " PeriodicSite: Li (13.3, 18.52, 4.233) [0.6546, 0.9119, 0.2084]\n", + " PeriodicSite: Li (11.04, 17.4, 14.02) [0.5435, 0.8566, 0.6903]\n", + " PeriodicSite: Li (1.938, 8.289, 0.3583) [0.09542, 0.4081, 0.01764]\n", + " PeriodicSite: Li (4.639, 7.104, 9.912) [0.2284, 0.3497, 0.488]\n", + " PeriodicSite: Li (2.899, 15.32, 0.9382) [0.1427, 0.7542, 0.04619]\n", + " PeriodicSite: Li (4.481, 17.03, 11.51) [0.2206, 0.8386, 0.5668]\n", + " PeriodicSite: Li (12.54, 9.303, 0.5242) [0.6176, 0.458, 0.02581]\n", + " PeriodicSite: Li (10.92, 7.272, 14.42) [0.5375, 0.358, 0.7099]\n", + " PeriodicSite: Li (11.67, 15.34, 2.517) [0.5744, 0.7554, 0.1239]\n", + " PeriodicSite: Li (13.3, 15.2, 12.37) [0.6549, 0.7481, 0.6092]\n", + " PeriodicSite: Li (0.6633, 5.84, 3.102) [0.03265, 0.2875, 0.1527]\n", + " PeriodicSite: Li (17.87, 8.719, 9.802) [0.8798, 0.4292, 0.4826]\n", + " PeriodicSite: Li (0.7659, 17.39, 3.542) [0.0377, 0.856, 0.1744]\n", + " PeriodicSite: Li (0.05588, 18.58, 12.45) [0.002746, 0.9147, 0.6128]\n", + " PeriodicSite: Li (10.41, 7.015, 2.998) [0.5123, 0.3453, 0.1476]\n", + " PeriodicSite: Li (13.33, 9.895, 12.99) [0.6561, 0.4871, 0.6395]\n", + " PeriodicSite: Li (13.51, 16.85, 0.2011) [0.6649, 0.8295, 0.009907]\n", + " PeriodicSite: Li (7.852, 15.99, 15.78) [0.3865, 0.7874, 0.7768]\n", + " PeriodicSite: Li (4.041, 7.682, 4.933) [0.1989, 0.3782, 0.2429]\n", + " PeriodicSite: Li (1.237, 8.662, 11.87) [0.06091, 0.4264, 0.5842]\n", + " PeriodicSite: Li (2.156, 18.12, 0.6458) [0.1061, 0.8922, 0.0318]\n", + " PeriodicSite: Li (2.768, 0.04865, 13.17) [0.1363, 0.002395, 0.6485]\n", + " PeriodicSite: Li (14.79, 9.721, 2.924) [0.7279, 0.4786, 0.144]\n", + " PeriodicSite: Li (13.31, 6.766, 9.881) [0.6553, 0.3331, 0.4864]\n", + " PeriodicSite: Li (12.21, 19.89, 1.562) [0.6011, 0.9792, 0.07692]\n", + " PeriodicSite: Li (13.29, 17.05, 10.03) [0.6543, 0.8392, 0.4936]\n", + " PeriodicSite: Li (5.777, 4.046, 2.545) [0.2844, 0.1992, 0.1253]\n", + " PeriodicSite: Li (4.48, 8.357, 13.73) [0.2206, 0.4114, 0.6762]\n", + " PeriodicSite: Li (4.056, 17.95, 4.462) [0.1997, 0.8836, 0.2197]\n", + " PeriodicSite: Li (0.8761, 15.9, 12.8) [0.04313, 0.7829, 0.6301]\n", + " PeriodicSite: Li (12.53, 11.08, 5.66) [0.6171, 0.5456, 0.2786]\n", + " PeriodicSite: Li (14.96, 6.891, 11.94) [0.7363, 0.3392, 0.5879]\n", + " PeriodicSite: Li (14.7, 16.33, 2.54) [0.7237, 0.8038, 0.125]\n", + " PeriodicSite: Li (15.78, 2.559, 15.03) [0.7767, 0.126, 0.74]\n", + " PeriodicSite: Li (9.303, 3.193, 3.15) [0.458, 0.1572, 0.1551]\n", + " PeriodicSite: Li (8.495, 4.945, 14.24) [0.4182, 0.2435, 0.7009]\n", + " PeriodicSite: Li (5.787, 10.44, 2.793) [0.2849, 0.5138, 0.1375]\n", + " PeriodicSite: Li (3.414, 11.9, 15.02) [0.1681, 0.586, 0.7394]\n", + " PeriodicSite: Li (17.69, 1.137, 5.075) [0.8707, 0.05599, 0.2499]\n", + " PeriodicSite: Li (13.08, 3.59, 9.893) [0.6439, 0.1767, 0.487]\n", + " PeriodicSite: Li (19.17, 10.99, 2.065) [0.9439, 0.5412, 0.1017]\n", + " PeriodicSite: Li (17.18, 9.989, 13.38) [0.8458, 0.4918, 0.6586]\n", + " PeriodicSite: Li (7.01, 18.44, 4.994) [0.3451, 0.908, 0.2459]\n", + " PeriodicSite: Li (6.128, 2.509, 14.62) [0.3017, 0.1235, 0.7198]\n", + " PeriodicSite: Li (7.151, 12.92, 0.3563) [0.3521, 0.636, 0.01754]\n", + " PeriodicSite: Li (10.03, 12.58, 12.19) [0.4936, 0.6195, 0.5999]\n", + " PeriodicSite: Li (15.91, 0.5937, 3.165) [0.7832, 0.02922, 0.1558]\n", + " PeriodicSite: Li (18.44, 2.184, 10.86) [0.908, 0.1075, 0.5348]\n", + " PeriodicSite: Li (17.12, 10.75, 4.545) [0.843, 0.5293, 0.2238]\n", + " PeriodicSite: Li (16.65, 14.94, 12.78) [0.8197, 0.7355, 0.6293]\n", + " PeriodicSite: Li (8.59, 5.5, 6.683) [0.4229, 0.2708, 0.329]\n", + " PeriodicSite: Li (9.341, 1.282, 13.43) [0.4599, 0.06313, 0.6614]\n", + " PeriodicSite: Li (8.988, 12.79, 4.668) [0.4425, 0.6295, 0.2298]\n", + " PeriodicSite: Li (7.223, 14.19, 10.31) [0.3556, 0.6984, 0.5074]\n", + " PeriodicSite: Li (19.88, 2.069, 1.978) [0.9787, 0.1018, 0.09739]\n", + " PeriodicSite: Li (19.39, 5.295, 13.35) [0.9548, 0.2607, 0.6574]\n", + " PeriodicSite: Li (17.26, 14.82, 2.436) [0.8499, 0.7297, 0.1199]\n", + " PeriodicSite: Li (15.49, 11.86, 13.49) [0.7626, 0.5838, 0.6641]\n", + " PeriodicSite: Li (2.823, 19.76, 3.14) [0.139, 0.9727, 0.1546]\n", + " PeriodicSite: Li (6.596, 0.383, 13.2) [0.3248, 0.01885, 0.6497]\n", + " PeriodicSite: Li (5.39, 13.81, 2.138) [0.2653, 0.6797, 0.1053]\n", + " PeriodicSite: Li (7.161, 8.92, 15.58) [0.3525, 0.4392, 0.7671]\n", + " PeriodicSite: Li (18.28, 4.717, 3.098) [0.9001, 0.2322, 0.1525]\n", + " PeriodicSite: Li (17.21, 0.4035, 13.75) [0.8471, 0.01986, 0.6768]\n", + " PeriodicSite: Li (17.05, 13.26, 0.5828) [0.8395, 0.6526, 0.0287]\n", + " PeriodicSite: Li (19.33, 12.33, 11.47) [0.9517, 0.607, 0.5649]\n", + " PeriodicSite: Li (7.018, 3.058, 0.01463) [0.3455, 0.1505, 0.0007222]\n", + " PeriodicSite: Li (5.546, 2.533, 10.5) [0.273, 0.1247, 0.5168]\n", + " PeriodicSite: Li (9.438, 11.47, 2.123) [0.4647, 0.5648, 0.1045]\n", + " PeriodicSite: Li (7.714, 10.94, 10.57) [0.3798, 0.5386, 0.5205]\n", + " PeriodicSite: Li (15.29, 3.09, 1.789) [0.7527, 0.1521, 0.08807]\n", + " PeriodicSite: Li (15.8, 3.176, 11.48) [0.7777, 0.1563, 0.5653]\n", + " PeriodicSite: Li (2.037, 11.18, 19.91) [0.1003, 0.5504, 0.9804]\n", + " PeriodicSite: Li (19.02, 13.14, 14.32) [0.9362, 0.6471, 0.7048]\n", + " PeriodicSite: Li (8.283, 0.2676, 1.684) [0.4078, 0.01317, 0.0829]\n", + " PeriodicSite: Li (8.54, 2.024, 10.48) [0.4204, 0.09964, 0.5158]\n", + " PeriodicSite: Li (6.047, 12.23, 4.762) [0.2977, 0.6021, 0.2344]\n", + " PeriodicSite: Li (5.719, 14.61, 12.33) [0.2816, 0.7195, 0.6072]\n", + " PeriodicSite: Li (17.29, 4.059, 0.2955) [0.8513, 0.1998, 0.01455]\n", + " PeriodicSite: Li (1.883, 7.117, 15.13) [0.09268, 0.3504, 0.7447]\n", + " PeriodicSite: Li (3.155, 15.14, 8.252) [0.1553, 0.7452, 0.4062]\n", + " PeriodicSite: Li (16.29, 13.05, 10.74) [0.802, 0.6425, 0.5288]\n", + " PeriodicSite: Li (13.17, 8.0, 4.846) [0.6484, 0.3938, 0.2386]\n", + " PeriodicSite: Li (5.046, 8.294, 17.01) [0.2484, 0.4083, 0.8372]\n", + " PeriodicSite: Li (5.456, 16.91, 8.532) [0.2686, 0.8324, 0.4201]\n", + " PeriodicSite: Li (7.44, 15.82, 19.54) [0.3663, 0.7788, 0.962]\n", + " PeriodicSite: Li (15.55, 8.712, 7.16) [0.7657, 0.4289, 0.3525]\n", + " PeriodicSite: Li (3.441, 5.586, 18.67) [0.1694, 0.275, 0.9192]\n", + " PeriodicSite: Li (17.24, 18.15, 5.457) [0.8486, 0.8934, 0.2687]\n", + " PeriodicSite: Li (20.06, 18.67, 18.83) [0.9877, 0.9192, 0.9272]\n", + " PeriodicSite: Li (6.977, 8.651, 5.128) [0.3435, 0.4259, 0.2524]\n", + " PeriodicSite: Li (7.74, 5.4, 17.61) [0.381, 0.2658, 0.8669]\n", + " PeriodicSite: Li (8.219, 19.95, 7.899) [0.4046, 0.982, 0.3889]\n", + " PeriodicSite: Li (7.071, 19.8, 16.43) [0.3481, 0.975, 0.8091]\n", + " PeriodicSite: Li (18.62, 10.53, 8.077) [0.9165, 0.5185, 0.3976]\n", + " PeriodicSite: Li (19.21, 7.617, 15.86) [0.9457, 0.375, 0.7807]\n", + " PeriodicSite: Li (18.25, 19.64, 8.696) [0.8987, 0.967, 0.4281]\n", + " PeriodicSite: Li (18.31, 16.49, 16.09) [0.9014, 0.8117, 0.7923]\n", + " PeriodicSite: Li (5.75, 4.784, 8.091) [0.2831, 0.2355, 0.3983]\n", + " PeriodicSite: Li (6.49, 6.487, 20.11) [0.3195, 0.3194, 0.9902]\n", + " PeriodicSite: Li (8.402, 18.49, 10.45) [0.4136, 0.9101, 0.5144]\n", + " PeriodicSite: Li (10.75, 12.99, 15.45) [0.529, 0.6394, 0.7607]\n", + " PeriodicSite: Li (0.06438, 7.538, 7.748) [0.003168, 0.3711, 0.3814]\n", + " PeriodicSite: Li (18.68, 5.324, 17.67) [0.9197, 0.2621, 0.8698]\n", + " PeriodicSite: Li (16.74, 17.14, 10.27) [0.8241, 0.8437, 0.5056]\n", + " PeriodicSite: Li (17.18, 16.76, 0.3433) [0.8459, 0.8253, 0.01691]\n", + " PeriodicSite: Li (9.729, 8.7, 7.985) [0.479, 0.4283, 0.3931]\n", + " PeriodicSite: Li (9.337, 8.009, 20.07) [0.4597, 0.3943, 0.9879]\n", + " PeriodicSite: Li (5.367, 18.85, 6.96) [0.2642, 0.928, 0.3426]\n", + " PeriodicSite: Li (8.092, 15.0, 3.118) [0.3984, 0.7383, 0.1535]\n", + " PeriodicSite: Li (17.35, 6.009, 9.444) [0.854, 0.2958, 0.4649]\n", + " PeriodicSite: Li (18.72, 9.858, 18.03) [0.9214, 0.4853, 0.8876]\n", + " PeriodicSite: Li (15.63, 18.98, 7.526) [0.7692, 0.9346, 0.3705]\n", + " PeriodicSite: Li (15.47, 17.84, 16.73) [0.7617, 0.878, 0.8236]\n", + " PeriodicSite: Li (7.048, 4.784, 11.34) [0.347, 0.2355, 0.5581]\n", + " PeriodicSite: Li (8.379, 10.15, 18.42) [0.4125, 0.4997, 0.9068]\n", + " PeriodicSite: Li (9.79, 17.5, 6.757) [0.482, 0.8615, 0.3327]\n", + " PeriodicSite: Li (10.12, 18.12, 1.79) [0.4983, 0.8919, 0.08811]\n", + " PeriodicSite: Li (18.34, 7.166, 5.048) [0.9029, 0.3528, 0.2485]\n", + " PeriodicSite: Li (15.21, 3.465, 18.16) [0.7487, 0.1706, 0.8941]\n", + " PeriodicSite: Li (19.79, 17.21, 6.988) [0.9742, 0.8473, 0.3441]\n", + " PeriodicSite: Li (17.84, 0.9004, 0.7744) [0.8783, 0.04432, 0.03813]\n", + " PeriodicSite: Li (3.161, 9.898, 3.224) [0.1556, 0.4873, 0.1587]\n", + " PeriodicSite: Li (10.22, 7.411, 17.41) [0.5032, 0.3649, 0.857]\n", + " PeriodicSite: Li (7.841, 15.64, 6.757) [0.386, 0.7701, 0.3326]\n", + " PeriodicSite: Li (8.147, 19.67, 19.11) [0.4011, 0.9685, 0.941]\n", + " PeriodicSite: Li (18.64, 5.113, 6.963) [0.9176, 0.2517, 0.3428]\n", + " PeriodicSite: Li (15.78, 11.8, 16.32) [0.7767, 0.5809, 0.8033]\n", + " PeriodicSite: Li (18.32, 13.44, 5.32) [0.9021, 0.6618, 0.2619]\n", + " PeriodicSite: Li (13.7, 1.222, 14.29) [0.6743, 0.06014, 0.7036]\n", + " PeriodicSite: Cl (7.407, 12.72, 12.14) [0.3646, 0.626, 0.5978]\n", + " PeriodicSite: Cl (2.443, 12.78, 17.07) [0.1203, 0.6291, 0.8405]\n", + " PeriodicSite: Cl (12.61, 17.43, 12.51) [0.6207, 0.8579, 0.6157]\n", + " PeriodicSite: Cl (17.77, 7.639, 17.7) [0.8749, 0.3761, 0.8715]\n", + " PeriodicSite: Cl (7.438, 2.347, 2.356) [0.3662, 0.1155, 0.116]\n", + " PeriodicSite: Cl (7.372, 7.756, 7.378) [0.3629, 0.3818, 0.3632]\n", + " PeriodicSite: Cl (12.94, 12.79, 7.556) [0.6373, 0.6298, 0.372]\n", + " PeriodicSite: Cl (2.405, 7.402, 2.779) [0.1184, 0.3644, 0.1368]\n", + " PeriodicSite: Cl (2.505, 7.224, 13.08) [0.1233, 0.3557, 0.6439]\n", + " PeriodicSite: Cl (12.39, 12.51, 17.4) [0.6101, 0.6158, 0.8565]\n", + " PeriodicSite: Cl (17.88, 17.9, 17.85) [0.8804, 0.881, 0.8789]\n", + " PeriodicSite: Cl (2.485, 2.341, 7.372) [0.1224, 0.1153, 0.3629]\n", + " PeriodicSite: Cl (12.82, 2.511, 17.77) [0.631, 0.1236, 0.8747]\n", + " PeriodicSite: Cl (12.9, 8.003, 2.701) [0.6351, 0.394, 0.133]\n", + " PeriodicSite: Cl (17.63, 2.629, 13.1) [0.8681, 0.1294, 0.6448]\n", + " PeriodicSite: Cl (7.267, 17.56, 17.83) [0.3578, 0.8646, 0.8775]\n", + " PeriodicSite: Cl (0.1598, 0.2555, 0.3229) [0.007868, 0.01258, 0.0159]\n", + " PeriodicSite: Cl (19.8, 0.02027, 10.49) [0.975, 0.0009896, 0.5165]\n", + " PeriodicSite: Cl (0.3858, 9.765, 0.5723) [0.01899, 0.4807, 0.02817]\n", + " PeriodicSite: Cl (20.09, 10.16, 10.06) [0.989, 0.5002, 0.4951]\n", + " PeriodicSite: Cl (10.26, 0.1287, 20.18) [0.5053, 0.006333, 0.9936]\n", + " PeriodicSite: Cl (9.911, 0.03666, 9.696) [0.4879, 0.001801, 0.4773]\n", + " PeriodicSite: Cl (9.942, 10.1, 20.27) [0.4895, 0.4973, 0.9979]\n", + " PeriodicSite: Cl (10.07, 10.28, 9.754) [0.4957, 0.506, 0.4802]\n", + " PeriodicSite: Cl (19.87, 4.985, 4.965) [0.9781, 0.2454, 0.2444]\n", + " PeriodicSite: Cl (20.05, 5.61, 15.62) [0.987, 0.2762, 0.7688]\n", + " PeriodicSite: Cl (20.23, 14.91, 5.465) [0.9959, 0.7338, 0.2691]\n", + " PeriodicSite: Cl (20.24, 15.31, 15.14) [0.9964, 0.7537, 0.7452]\n", + " PeriodicSite: Cl (10.32, 4.63, 4.777) [0.5079, 0.228, 0.2352]\n", + " PeriodicSite: Cl (10.27, 5.335, 15.84) [0.5055, 0.2627, 0.7797]\n", + " PeriodicSite: Cl (9.708, 15.12, 5.153) [0.4779, 0.7444, 0.2537]\n", + " PeriodicSite: Cl (10.29, 14.83, 14.7) [0.5067, 0.7302, 0.7237]\n", + " PeriodicSite: S (4.719, 19.97, 5.044) [0.2323, 0.983, 0.2483]\n", + " PeriodicSite: S (5.061, 0.2786, 15.16) [0.2492, 0.01371, 0.7463]\n", + " PeriodicSite: S (5.052, 10.16, 4.86) [0.2487, 0.5001, 0.2393]\n", + " PeriodicSite: S (4.851, 10.1, 15.49) [0.2388, 0.4974, 0.7628]\n", + " PeriodicSite: S (15.15, 0.2931, 5.494) [0.7456, 0.01442, 0.2705]\n", + " PeriodicSite: S (15.45, 0.2704, 15.4) [0.7605, 0.01331, 0.7584]\n", + " PeriodicSite: S (14.98, 10.28, 5.188) [0.7375, 0.5059, 0.2554]\n", + " PeriodicSite: S (15.24, 9.826, 14.95) [0.7502, 0.4838, 0.7362]\n", + " PeriodicSite: S (5.002, 4.692, 0.227) [0.2463, 0.231, 0.01118]\n", + " PeriodicSite: S (5.021, 4.761, 10.09) [0.2472, 0.2344, 0.4966]\n", + " PeriodicSite: S (5.238, 14.92, 0.1343) [0.2579, 0.7346, 0.006613]\n", + " PeriodicSite: S (4.978, 15.13, 10.08) [0.2451, 0.745, 0.4962]\n", + " PeriodicSite: S (15.01, 4.875, 20.23) [0.7391, 0.24, 0.9961]\n", + " PeriodicSite: S (14.82, 5.18, 10.36) [0.7298, 0.255, 0.51]\n", + " PeriodicSite: S (15.38, 15.24, 0.8596) [0.7573, 0.7503, 0.04232]\n", + " PeriodicSite: S (15.18, 15.33, 10.65) [0.7473, 0.7549, 0.5241]\n", + " PeriodicSite: S (8.864, 3.979, 8.805) [0.4364, 0.1959, 0.4335]\n", + " PeriodicSite: S (9.113, 3.751, 18.76) [0.4486, 0.1847, 0.9238]\n", + " PeriodicSite: S (8.99, 14.0, 8.688) [0.4426, 0.6891, 0.4277]\n", + " PeriodicSite: S (8.828, 13.77, 18.97) [0.4346, 0.6781, 0.934]\n", + " PeriodicSite: S (19.45, 4.019, 8.9) [0.9578, 0.1979, 0.4382]\n", + " PeriodicSite: S (19.62, 3.697, 19.15) [0.9658, 0.182, 0.9427]\n", + " PeriodicSite: S (18.7, 13.99, 9.177) [0.9209, 0.6889, 0.4518]\n", + " PeriodicSite: S (18.42, 14.9, 19.3) [0.9068, 0.7338, 0.95]\n", + " PeriodicSite: S (3.959, 0.8392, 1.327) [0.1949, 0.04131, 0.06535]\n", + " PeriodicSite: S (3.743, 1.005, 11.17) [0.1843, 0.04946, 0.5498]\n", + " PeriodicSite: S (3.922, 11.23, 1.207) [0.1931, 0.5531, 0.05943]\n", + " PeriodicSite: S (3.808, 11.69, 11.5) [0.1875, 0.5754, 0.5661]\n", + " PeriodicSite: S (14.02, 1.095, 0.9743) [0.6902, 0.0539, 0.04797]\n", + " PeriodicSite: S (14.21, 1.432, 11.68) [0.6994, 0.0705, 0.5751]\n", + " PeriodicSite: S (14.07, 11.2, 1.087) [0.6927, 0.5512, 0.05353]\n", + " PeriodicSite: S (14.04, 11.65, 11.17) [0.6911, 0.5735, 0.5499]\n", + " PeriodicSite: S (6.116, 1.103, 8.682) [0.3011, 0.05428, 0.4274]\n", + " PeriodicSite: S (6.296, 1.051, 19.07) [0.3099, 0.05173, 0.9388]\n", + " PeriodicSite: S (6.07, 11.13, 9.026) [0.2988, 0.5479, 0.4444]\n", + " PeriodicSite: S (6.044, 11.63, 18.88) [0.2975, 0.5724, 0.9297]\n", + " PeriodicSite: S (16.52, 1.461, 9.349) [0.8132, 0.0719, 0.4603]\n", + " PeriodicSite: S (16.21, 1.323, 18.97) [0.7981, 0.06512, 0.9341]\n", + " PeriodicSite: S (16.41, 11.5, 8.813) [0.808, 0.5662, 0.4339]\n", + " PeriodicSite: S (16.46, 11.18, 18.71) [0.8103, 0.5505, 0.9211]\n", + " PeriodicSite: S (1.195, 4.004, 1.569) [0.05883, 0.1971, 0.07725]\n", + " PeriodicSite: S (1.035, 3.975, 11.84) [0.05093, 0.1957, 0.583]\n", + " PeriodicSite: S (1.011, 13.99, 0.6821) [0.04978, 0.6888, 0.03358]\n", + " PeriodicSite: S (0.9327, 13.94, 11.57) [0.04591, 0.6864, 0.5694]\n", + " PeriodicSite: S (11.27, 3.812, 0.9335) [0.5549, 0.1876, 0.04596]\n", + " PeriodicSite: S (11.1, 3.901, 11.19) [0.5465, 0.192, 0.5508]\n", + " PeriodicSite: S (11.09, 13.5, 1.077) [0.5457, 0.6646, 0.05302]\n", + " PeriodicSite: S (11.55, 13.91, 10.95) [0.5684, 0.6849, 0.5389]\n", + " PeriodicSite: S (2.889, 2.371, 18.1) [0.1422, 0.1167, 0.8911]\n", + " PeriodicSite: S (2.529, 12.84, 7.888) [0.1245, 0.6324, 0.3883]\n", + " PeriodicSite: S (12.75, 2.812, 7.644) [0.6276, 0.1384, 0.3763]\n", + " PeriodicSite: S (8.918, 8.797, 3.543) [0.439, 0.4331, 0.1744]\n", + " PeriodicSite: S (8.803, 8.98, 14.04) [0.4334, 0.4421, 0.6912]\n", + " PeriodicSite: S (8.882, 19.11, 3.576) [0.4373, 0.941, 0.1761]\n", + " PeriodicSite: S (9.035, 19.28, 14.04) [0.4448, 0.9494, 0.6911]\n", + " PeriodicSite: S (18.92, 9.373, 4.013) [0.9316, 0.4614, 0.1975]\n", + " PeriodicSite: S (19.53, 9.052, 13.88) [0.9615, 0.4456, 0.6835]\n", + " PeriodicSite: S (18.89, 19.32, 3.949) [0.9299, 0.951, 0.1944]\n", + " PeriodicSite: S (19.33, 19.56, 14.65) [0.9517, 0.9631, 0.721]\n", + " PeriodicSite: S (3.673, 5.936, 6.477) [0.1808, 0.2922, 0.3189]\n", + " PeriodicSite: S (3.766, 6.46, 16.21) [0.1854, 0.318, 0.7981]\n", + " PeriodicSite: S (4.024, 16.63, 6.41) [0.1981, 0.8186, 0.3156]\n", + " PeriodicSite: S (3.724, 16.83, 16.14) [0.1833, 0.8284, 0.7947]\n", + " PeriodicSite: S (14.06, 6.061, 6.152) [0.6923, 0.2984, 0.3029]\n", + " PeriodicSite: S (14.01, 6.508, 16.53) [0.6899, 0.3204, 0.8139]\n", + " PeriodicSite: S (13.95, 16.81, 6.013) [0.6867, 0.8277, 0.2961]\n", + " PeriodicSite: S (14.17, 15.72, 17.23) [0.6974, 0.7741, 0.8481]\n", + " PeriodicSite: S (5.957, 6.342, 4.073) [0.2933, 0.3122, 0.2005]\n", + " PeriodicSite: S (6.275, 6.377, 14.29) [0.3089, 0.3139, 0.7035]\n", + " PeriodicSite: S (6.261, 16.37, 4.047) [0.3082, 0.8061, 0.1993]\n", + " PeriodicSite: S (6.218, 16.42, 13.71) [0.3061, 0.8083, 0.675]\n", + " PeriodicSite: S (16.36, 6.19, 3.612) [0.8054, 0.3047, 0.1778]\n", + " PeriodicSite: S (16.18, 6.547, 13.97) [0.7965, 0.3223, 0.6879]\n", + " PeriodicSite: S (16.64, 16.2, 4.265) [0.819, 0.7975, 0.21]\n", + " PeriodicSite: S (16.28, 16.84, 14.7) [0.8017, 0.8291, 0.7237]\n", + " PeriodicSite: S (1.384, 9.179, 6.025) [0.06811, 0.4519, 0.2966]\n", + " PeriodicSite: S (0.8971, 9.116, 16.6) [0.04417, 0.4488, 0.817]\n", + " PeriodicSite: S (1.199, 18.69, 5.624) [0.05904, 0.9201, 0.2769]\n", + " PeriodicSite: S (1.548, 19.5, 16.71) [0.07623, 0.9602, 0.8229]\n", + " PeriodicSite: S (11.34, 8.88, 5.992) [0.5582, 0.4372, 0.295]\n", + " PeriodicSite: S (11.3, 9.06, 16.24) [0.5564, 0.446, 0.7996]\n", + " PeriodicSite: S (11.26, 19.25, 5.885) [0.5543, 0.9475, 0.2897]\n", + " PeriodicSite: S (11.54, 18.98, 16.3) [0.5683, 0.9342, 0.8023]\n", + " PeriodicSite: S (2.92, 17.35, 2.489) [0.1438, 0.8543, 0.1225]\n", + " PeriodicSite: S (2.469, 17.83, 12.83) [0.1216, 0.8777, 0.6319]\n", + " PeriodicSite: S (12.69, 7.529, 12.74) [0.6249, 0.3707, 0.6273]\n", + " PeriodicSite: S (12.46, 17.59, 2.129) [0.6133, 0.8661, 0.1048]\n", + " PeriodicSite: S (3.993, 3.603, 4.156) [0.1966, 0.1774, 0.2046]\n", + " PeriodicSite: S (3.91, 3.745, 14.15) [0.1925, 0.1844, 0.6968]\n", + " PeriodicSite: S (3.905, 13.96, 4.117) [0.1922, 0.6873, 0.2027]\n", + " PeriodicSite: S (3.673, 14.26, 13.92) [0.1808, 0.702, 0.6854]\n", + " PeriodicSite: S (14.33, 3.593, 4.11) [0.7054, 0.1769, 0.2024]\n", + " PeriodicSite: S (14.24, 3.986, 14.12) [0.7009, 0.1962, 0.6954]\n", + " PeriodicSite: S (13.67, 14.15, 4.075) [0.6728, 0.6968, 0.2006]\n", + " PeriodicSite: S (14.17, 14.05, 14.36) [0.6976, 0.6919, 0.707]\n", + " PeriodicSite: S (8.881, 1.252, 5.967) [0.4372, 0.06163, 0.2938]\n", + " PeriodicSite: S (9.011, 0.7576, 16.61) [0.4436, 0.03729, 0.8177]\n", + " PeriodicSite: S (8.392, 10.61, 6.145) [0.4131, 0.5223, 0.3025]\n", + " PeriodicSite: S (8.935, 11.44, 16.28) [0.4399, 0.563, 0.8016]\n", + " PeriodicSite: S (19.65, 0.9199, 6.619) [0.9672, 0.04528, 0.3258]\n", + " PeriodicSite: S (19.69, 1.315, 17.18) [0.9695, 0.06472, 0.8459]\n", + " PeriodicSite: S (19.32, 11.64, 6.225) [0.9513, 0.5731, 0.3065]\n", + " PeriodicSite: S (18.97, 11.57, 16.25) [0.9338, 0.5697, 0.8]\n", + " PeriodicSite: S (1.02, 1.223, 3.906) [0.05021, 0.06023, 0.1923]\n", + " PeriodicSite: S (1.299, 1.655, 14.48) [0.06396, 0.08149, 0.7127]\n", + " PeriodicSite: S (1.36, 11.62, 3.906) [0.06695, 0.5719, 0.1923]\n", + " PeriodicSite: S (1.317, 11.66, 14.11) [0.06482, 0.5742, 0.6948]\n", + " PeriodicSite: S (11.27, 1.25, 3.708) [0.5547, 0.06154, 0.1826]\n", + " PeriodicSite: S (11.34, 1.569, 14.57) [0.5583, 0.07723, 0.7171]\n", + " PeriodicSite: S (10.84, 11.46, 3.998) [0.5338, 0.5641, 0.1968]\n", + " PeriodicSite: S (11.1, 11.36, 13.8) [0.5466, 0.559, 0.6796]\n", + " PeriodicSite: S (6.432, 3.725, 6.179) [0.3166, 0.1834, 0.3042]\n", + " PeriodicSite: S (6.069, 4.144, 16.55) [0.2988, 0.204, 0.8149]\n", + " PeriodicSite: S (6.183, 13.95, 6.495) [0.3044, 0.6869, 0.3197]\n", + " PeriodicSite: S (5.83, 14.53, 16.65) [0.287, 0.7155, 0.8197]\n", + " PeriodicSite: S (16.54, 3.966, 6.501) [0.8142, 0.1952, 0.32]\n", + " PeriodicSite: S (16.62, 4.29, 16.46) [0.818, 0.2112, 0.8102]\n", + " PeriodicSite: S (15.88, 13.95, 6.487) [0.782, 0.6869, 0.3194]\n", + " PeriodicSite: S (16.9, 14.11, 16.29) [0.8322, 0.6945, 0.8022]\n", + " PeriodicSite: S (7.579, 2.609, 12.56) [0.3731, 0.1284, 0.6183]\n", + " PeriodicSite: S (7.385, 12.59, 2.994) [0.3636, 0.6198, 0.1474]\n", + " PeriodicSite: S (17.5, 2.666, 2.273) [0.8614, 0.1312, 0.1119]\n", + " PeriodicSite: S (17.76, 12.66, 2.745) [0.8746, 0.6233, 0.1351]\n", + " PeriodicSite: S (17.48, 12.74, 12.58) [0.8607, 0.6274, 0.6195]\n", + " PeriodicSite: S (3.383, 9.12, 9.378) [0.1666, 0.449, 0.4617]\n", + " PeriodicSite: S (3.582, 9.463, 18.83) [0.1763, 0.4659, 0.9272]\n", + " PeriodicSite: S (3.879, 18.95, 8.972) [0.191, 0.9331, 0.4417]\n", + " PeriodicSite: S (3.859, 18.94, 19.13) [0.19, 0.9324, 0.9416]\n", + " PeriodicSite: S (13.73, 9.302, 8.75) [0.6758, 0.4579, 0.4308]\n", + " PeriodicSite: S (14.49, 8.869, 19.11) [0.7133, 0.4366, 0.9408]\n", + " PeriodicSite: S (14.15, 19.55, 9.121) [0.6965, 0.9625, 0.4491]\n", + " PeriodicSite: S (14.0, 19.07, 18.8) [0.6892, 0.9387, 0.9256]\n", + " PeriodicSite: S (8.693, 5.785, 1.084) [0.428, 0.2848, 0.05338]\n", + " PeriodicSite: S (8.806, 6.362, 11.24) [0.4335, 0.3132, 0.5534]\n", + " PeriodicSite: S (8.808, 16.0, 1.073) [0.4336, 0.7879, 0.05283]\n", + " PeriodicSite: S (8.952, 16.16, 11.09) [0.4407, 0.7956, 0.5461]\n", + " PeriodicSite: S (18.76, 5.976, 1.056) [0.9236, 0.2942, 0.05202]\n", + " PeriodicSite: S (19.15, 6.339, 11.3) [0.9429, 0.3121, 0.5565]\n", + " PeriodicSite: S (19.45, 16.51, 1.859) [0.9574, 0.8129, 0.09151]\n", + " PeriodicSite: S (19.34, 16.83, 11.36) [0.952, 0.8288, 0.5591]\n", + " PeriodicSite: S (1.466, 6.269, 9.334) [0.07217, 0.3086, 0.4595]\n", + " PeriodicSite: S (1.339, 6.297, 19.48) [0.06594, 0.31, 0.9589]\n", + " PeriodicSite: S (1.039, 16.18, 9.008) [0.05113, 0.7967, 0.4435]\n", + " PeriodicSite: S (1.024, 16.68, 19.17) [0.05042, 0.8211, 0.9436]\n", + " PeriodicSite: S (11.09, 6.612, 8.945) [0.5462, 0.3255, 0.4404]\n", + " PeriodicSite: S (11.12, 6.694, 19.39) [0.5476, 0.3295, 0.9547]\n", + " PeriodicSite: S (11.39, 16.48, 8.639) [0.561, 0.8112, 0.4253]\n", + " PeriodicSite: S (11.25, 16.2, 19.1) [0.5539, 0.7977, 0.9405]\n", + " PeriodicSite: S (6.457, 9.083, 0.5598) [0.3179, 0.4472, 0.02756]\n", + " PeriodicSite: S (5.825, 9.068, 11.56) [0.2868, 0.4464, 0.5694]\n", + " PeriodicSite: S (6.446, 18.89, 0.8069) [0.3173, 0.93, 0.03973]\n", + " PeriodicSite: S (6.217, 19.05, 11.23) [0.3061, 0.9378, 0.5526]\n", + " PeriodicSite: S (16.71, 9.207, 1.244) [0.8227, 0.4533, 0.06124]\n", + " PeriodicSite: S (16.06, 8.982, 11.29) [0.7908, 0.4422, 0.556]\n", + " PeriodicSite: S (16.35, 19.13, 1.004) [0.805, 0.9417, 0.04944]\n", + " PeriodicSite: S (16.3, 19.42, 11.7) [0.8024, 0.9561, 0.5762]\n", + " PeriodicSite: S (7.91, 7.942, 17.83) [0.3894, 0.391, 0.8776]\n", + " PeriodicSite: S (7.523, 17.85, 7.341) [0.3704, 0.8788, 0.3614]\n", + " PeriodicSite: S (18.08, 7.679, 7.789) [0.8902, 0.3781, 0.3835]\n", + " PeriodicSite: S (17.63, 17.57, 7.808) [0.8681, 0.865, 0.3844]\n", + " PeriodicSite: P (5.096, 20.19, 20.19) [0.2509, 0.9942, 0.9941]\n", + " PeriodicSite: P (5.053, 20.24, 9.963) [0.2487, 0.9962, 0.4905]\n", + " PeriodicSite: P (5.038, 10.21, 20.06) [0.248, 0.5028, 0.9878]\n", + " PeriodicSite: P (4.728, 10.37, 10.38) [0.2328, 0.5107, 0.5112]\n", + " PeriodicSite: P (15.15, 20.26, 20.09) [0.7456, 0.9976, 0.9892]\n", + " PeriodicSite: P (15.2, 0.2542, 10.44) [0.7485, 0.01251, 0.5138]\n", + " PeriodicSite: P (15.48, 10.15, 20.29) [0.762, 0.4998, 0.999]\n", + " PeriodicSite: P (15.15, 10.41, 10.03) [0.7459, 0.5125, 0.4939]\n", + " PeriodicSite: P (5.062, 4.921, 5.307) [0.2492, 0.2423, 0.2612]\n", + " PeriodicSite: P (4.971, 5.146, 15.17) [0.2447, 0.2533, 0.747]\n", + " PeriodicSite: P (4.956, 15.23, 5.269) [0.244, 0.7496, 0.2594]\n", + " PeriodicSite: P (4.966, 15.49, 15.06) [0.2445, 0.7627, 0.7414]\n", + " PeriodicSite: P (15.45, 4.999, 5.02) [0.7608, 0.2461, 0.2472]\n", + " PeriodicSite: P (15.25, 5.432, 15.31) [0.751, 0.2674, 0.7538]\n", + " PeriodicSite: P (15.0, 15.28, 5.219) [0.7383, 0.7523, 0.2569]\n", + " PeriodicSite: P (15.33, 15.21, 15.57) [0.7545, 0.7489, 0.7665]\n", + " PeriodicSite: P (20.3, 20.19, 5.056) [0.9992, 0.9939, 0.2489]\n", + " PeriodicSite: P (0.3094, 0.319, 15.69) [0.01524, 0.01571, 0.7725]\n", + " PeriodicSite: P (0.1282, 10.39, 4.986) [0.006308, 0.5115, 0.2455]\n", + " PeriodicSite: P (0.07688, 10.47, 15.27) [0.003784, 0.5153, 0.7517]\n", + " PeriodicSite: P (10.12, 0.1431, 4.854) [0.4982, 0.007041, 0.2389]\n", + " PeriodicSite: P (10.27, 20.24, 15.34) [0.5058, 0.9962, 0.7554]\n", + " PeriodicSite: P (9.836, 9.87, 4.932) [0.4843, 0.4859, 0.2428]\n", + " PeriodicSite: P (9.971, 10.18, 15.02) [0.4909, 0.501, 0.7394]\n", + " PeriodicSite: P (0.02378, 5.074, 0.08575) [0.001168, 0.2498, 0.004222]\n", + " PeriodicSite: P (0.1642, 5.14, 10.35) [0.008083, 0.2531, 0.5097]\n", + " PeriodicSite: P (20.0, 15.62, 0.02668) [0.9846, 0.7688, 0.00132]\n", + " PeriodicSite: P (20.01, 15.16, 10.31) [0.9851, 0.7463, 0.5074]\n", + " PeriodicSite: P (10.17, 5.016, 20.11) [0.5006, 0.247, 0.9902]\n", + " PeriodicSite: P (9.973, 5.189, 10.07) [0.491, 0.2555, 0.4959]\n", + " PeriodicSite: P (10.14, 14.95, 20.2) [0.4992, 0.7361, 0.9942]\n", + " PeriodicSite: P (10.19, 15.19, 9.812) [0.5018, 0.7477, 0.4831],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.008, 3.674, 5.562) [0.04963, 0.1809, 0.2738]\n", + " PeriodicSite: Li (0.7019, 2.809, 17.55) [0.03456, 0.1383, 0.864]\n", + " PeriodicSite: Li (2.66, 13.68, 9.932) [0.131, 0.6734, 0.489]\n", + " PeriodicSite: Li (1.749, 14.16, 16.04) [0.08608, 0.6973, 0.7899]\n", + " PeriodicSite: Li (15.33, 1.635, 7.043) [0.7549, 0.08048, 0.3467]\n", + " PeriodicSite: Li (11.61, 3.988, 15.57) [0.5717, 0.1963, 0.7668]\n", + " PeriodicSite: Li (15.28, 12.59, 3.006) [0.752, 0.62, 0.148]\n", + " PeriodicSite: Li (15.56, 8.289, 16.93) [0.7659, 0.4081, 0.8334]\n", + " PeriodicSite: Li (3.489, 4.696, 8.378) [0.1717, 0.2312, 0.4125]\n", + " PeriodicSite: Li (4.452, 0.5228, 17.5) [0.2192, 0.02574, 0.8614]\n", + " PeriodicSite: Li (5.102, 8.86, 7.532) [0.2512, 0.4362, 0.3708]\n", + " PeriodicSite: Li (6.271, 10.7, 12.91) [0.3087, 0.5266, 0.6356]\n", + " PeriodicSite: Li (12.49, 4.44, 5.768) [0.615, 0.2186, 0.2839]\n", + " PeriodicSite: Li (13.48, 5.991, 18.83) [0.6634, 0.2949, 0.9272]\n", + " PeriodicSite: Li (10.5, 8.065, 11.38) [0.5167, 0.3971, 0.56]\n", + " PeriodicSite: Li (11.59, 15.68, 17.09) [0.5704, 0.7718, 0.8416]\n", + " PeriodicSite: Li (3.079, 19.35, 6.365) [0.1516, 0.9526, 0.3134]\n", + " PeriodicSite: Li (3.277, 2.167, 15.63) [0.1613, 0.1067, 0.7695]\n", + " PeriodicSite: Li (3.081, 11.05, 5.914) [0.1517, 0.544, 0.2911]\n", + " PeriodicSite: Li (6.623, 11.73, 16.02) [0.3261, 0.5775, 0.7885]\n", + " PeriodicSite: Li (12.5, 0.4064, 8.65) [0.6152, 0.02, 0.4258]\n", + " PeriodicSite: Li (9.963, 2.074, 19.49) [0.4905, 0.1021, 0.9594]\n", + " PeriodicSite: Li (13.64, 14.02, 9.402) [0.6714, 0.69, 0.4629]\n", + " PeriodicSite: Li (10.54, 11.8, 18.36) [0.5187, 0.581, 0.9041]\n", + " PeriodicSite: Li (1.125, 1.112, 8.266) [0.05539, 0.05474, 0.407]\n", + " PeriodicSite: Li (3.473, 2.832, 0.1975) [0.171, 0.1394, 0.009723]\n", + " PeriodicSite: Li (0.158, 13.49, 7.411) [0.007773, 0.6641, 0.3649]\n", + " PeriodicSite: Li (4.324, 13.54, 18.65) [0.2129, 0.6665, 0.9183]\n", + " PeriodicSite: Li (13.27, 0.9487, 5.671) [0.6532, 0.0467, 0.2792]\n", + " PeriodicSite: Li (13.55, 0.5523, 16.88) [0.6673, 0.02718, 0.8312]\n", + " PeriodicSite: Li (11.78, 11.88, 9.629) [0.5798, 0.5847, 0.474]\n", + " PeriodicSite: Li (15.97, 15.47, 18.55) [0.7861, 0.7615, 0.9135]\n", + " PeriodicSite: Li (4.727, 2.002, 6.509) [0.2327, 0.09855, 0.3204]\n", + " PeriodicSite: Li (1.271, 0.706, 18.73) [0.06259, 0.03476, 0.922]\n", + " PeriodicSite: Li (5.043, 12.98, 8.316) [0.2483, 0.6392, 0.4094]\n", + " PeriodicSite: Li (1.441, 17.47, 15.02) [0.07092, 0.8599, 0.7393]\n", + " PeriodicSite: Li (14.46, 4.826, 8.065) [0.7119, 0.2376, 0.397]\n", + " PeriodicSite: Li (12.94, 3.45, 20.19) [0.6369, 0.1698, 0.9941]\n", + " PeriodicSite: Li (16.79, 15.31, 8.085) [0.8267, 0.7535, 0.3981]\n", + " PeriodicSite: Li (13.83, 13.34, 20.07) [0.6811, 0.6565, 0.9881]\n", + " PeriodicSite: Li (5.742, 0.7239, 3.094) [0.2827, 0.03563, 0.1523]\n", + " PeriodicSite: Li (5.329, 3.024, 18.4) [0.2624, 0.1489, 0.906]\n", + " PeriodicSite: Li (1.794, 13.73, 5.02) [0.08833, 0.6761, 0.2471]\n", + " PeriodicSite: Li (19.75, 14.13, 2.806) [0.9722, 0.6959, 0.1381]\n", + " PeriodicSite: Li (10.47, 2.724, 7.211) [0.5153, 0.1341, 0.355]\n", + " PeriodicSite: Li (17.49, 20.11, 16.38) [0.8611, 0.9902, 0.8065]\n", + " PeriodicSite: Li (14.76, 11.94, 7.007) [0.7265, 0.588, 0.345]\n", + " PeriodicSite: Li (13.17, 10.57, 16.41) [0.6483, 0.5202, 0.8077]\n", + " PeriodicSite: Li (3.201, 10.13, 17.09) [0.1576, 0.4987, 0.8413]\n", + " PeriodicSite: Li (1.454, 10.6, 8.446) [0.07159, 0.5217, 0.4158]\n", + " PeriodicSite: Li (4.993, 16.56, 18.3) [0.2458, 0.8153, 0.9011]\n", + " PeriodicSite: Li (1.96, 17.82, 10.31) [0.09647, 0.8774, 0.5074]\n", + " PeriodicSite: Li (14.54, 5.933, 1.994) [0.716, 0.2921, 0.09819]\n", + " PeriodicSite: Li (14.1, 7.915, 14.36) [0.6942, 0.3897, 0.7067]\n", + " PeriodicSite: Li (12.31, 14.69, 6.152) [0.6059, 0.7232, 0.3029]\n", + " PeriodicSite: Li (14.62, 18.27, 13.53) [0.7196, 0.8992, 0.666]\n", + " PeriodicSite: Li (3.534, 5.274, 1.925) [0.174, 0.2596, 0.09475]\n", + " PeriodicSite: Li (2.865, 4.762, 11.86) [0.141, 0.2344, 0.5838]\n", + " PeriodicSite: Li (5.043, 16.95, 1.555) [0.2483, 0.8345, 0.07656]\n", + " PeriodicSite: Li (4.268, 18.02, 14.54) [0.2101, 0.887, 0.7158]\n", + " PeriodicSite: Li (17.09, 6.548, 20.19) [0.8414, 0.3223, 0.9937]\n", + " PeriodicSite: Li (12.94, 5.383, 12.31) [0.637, 0.265, 0.6062]\n", + " PeriodicSite: Li (13.61, 18.52, 4.76) [0.6702, 0.9118, 0.2343]\n", + " PeriodicSite: Li (11.03, 17.51, 14.1) [0.5432, 0.862, 0.6941]\n", + " PeriodicSite: Li (1.341, 8.274, 0.0508) [0.066, 0.4073, 0.002502]\n", + " PeriodicSite: Li (3.951, 7.398, 11.17) [0.1945, 0.3642, 0.5497]\n", + " PeriodicSite: Li (3.005, 15.73, 0.4673) [0.148, 0.7743, 0.02301]\n", + " PeriodicSite: Li (4.703, 16.75, 11.76) [0.2315, 0.8245, 0.5789]\n", + " PeriodicSite: Li (12.03, 9.266, 0.5193) [0.5922, 0.4562, 0.02557]\n", + " PeriodicSite: Li (11.02, 7.603, 14.39) [0.5427, 0.3743, 0.7086]\n", + " PeriodicSite: Li (12.05, 15.73, 2.848) [0.5934, 0.7742, 0.1402]\n", + " PeriodicSite: Li (13.28, 15.31, 11.98) [0.6538, 0.7539, 0.59]\n", + " PeriodicSite: Li (0.4887, 7.07, 3.232) [0.02405, 0.348, 0.1591]\n", + " PeriodicSite: Li (18.16, 8.536, 9.915) [0.894, 0.4203, 0.4881]\n", + " PeriodicSite: Li (0.7443, 17.22, 3.533) [0.03664, 0.8476, 0.174]\n", + " PeriodicSite: Li (0.07679, 19.03, 12.25) [0.003775, 0.9367, 0.6031]\n", + " PeriodicSite: Li (10.63, 6.412, 2.747) [0.5233, 0.3156, 0.1352]\n", + " PeriodicSite: Li (13.32, 10.03, 12.76) [0.6557, 0.4938, 0.6283]\n", + " PeriodicSite: Li (13.83, 17.19, 0.1179) [0.6806, 0.8461, 0.005809]\n", + " PeriodicSite: Li (7.817, 15.4, 15.36) [0.3848, 0.758, 0.756]\n", + " PeriodicSite: Li (3.722, 7.373, 4.71) [0.1833, 0.363, 0.2319]\n", + " PeriodicSite: Li (0.4872, 8.236, 12.01) [0.02398, 0.4055, 0.5913]\n", + " PeriodicSite: Li (2.001, 18.87, 0.6743) [0.09852, 0.9288, 0.0332]\n", + " PeriodicSite: Li (3.003, 0.1795, 13.34) [0.1478, 0.008839, 0.6567]\n", + " PeriodicSite: Li (14.52, 9.585, 2.992) [0.7148, 0.4719, 0.1473]\n", + " PeriodicSite: Li (13.01, 6.836, 10.08) [0.6405, 0.3366, 0.4963]\n", + " PeriodicSite: Li (12.09, 20.15, 2.155) [0.5951, 0.9918, 0.1061]\n", + " PeriodicSite: Li (13.43, 16.85, 9.759) [0.6611, 0.8295, 0.4805]\n", + " PeriodicSite: Li (5.925, 4.388, 2.571) [0.2917, 0.216, 0.1266]\n", + " PeriodicSite: Li (4.69, 8.414, 13.61) [0.2309, 0.4142, 0.67]\n", + " PeriodicSite: Li (4.443, 17.84, 4.126) [0.2187, 0.8784, 0.2031]\n", + " PeriodicSite: Li (1.082, 16.05, 12.82) [0.05327, 0.79, 0.6312]\n", + " PeriodicSite: Li (12.44, 10.9, 5.666) [0.6123, 0.5367, 0.2789]\n", + " PeriodicSite: Li (15.3, 7.253, 12.18) [0.7534, 0.3571, 0.5996]\n", + " PeriodicSite: Li (15.17, 17.16, 2.318) [0.7468, 0.8446, 0.1141]\n", + " PeriodicSite: Li (15.74, 2.519, 14.46) [0.7751, 0.124, 0.7117]\n", + " PeriodicSite: Li (10.31, 3.578, 3.302) [0.5074, 0.1762, 0.1625]\n", + " PeriodicSite: Li (7.965, 4.408, 13.87) [0.3921, 0.217, 0.6826]\n", + " PeriodicSite: Li (6.904, 9.822, 2.936) [0.3399, 0.4836, 0.1445]\n", + " PeriodicSite: Li (3.282, 11.31, 14.56) [0.1616, 0.5569, 0.717]\n", + " PeriodicSite: Li (17.54, 1.31, 4.929) [0.8634, 0.06448, 0.2427]\n", + " PeriodicSite: Li (13.17, 3.397, 9.756) [0.6484, 0.1672, 0.4803]\n", + " PeriodicSite: Li (19.46, 11.11, 2.017) [0.958, 0.547, 0.09931]\n", + " PeriodicSite: Li (17.07, 10.48, 13.33) [0.8403, 0.516, 0.6561]\n", + " PeriodicSite: Li (7.307, 19.18, 5.159) [0.3597, 0.9441, 0.254]\n", + " PeriodicSite: Li (5.914, 2.53, 14.28) [0.2912, 0.1246, 0.703]\n", + " PeriodicSite: Li (7.066, 13.24, 0.03155) [0.3478, 0.652, 0.001556]\n", + " PeriodicSite: Li (9.922, 12.7, 12.68) [0.4885, 0.625, 0.6242]\n", + " PeriodicSite: Li (15.97, 0.5415, 2.964) [0.7864, 0.02665, 0.1459]\n", + " PeriodicSite: Li (19.54, 2.165, 11.61) [0.9619, 0.1066, 0.5716]\n", + " PeriodicSite: Li (17.59, 11.25, 4.745) [0.8662, 0.5541, 0.2336]\n", + " PeriodicSite: Li (16.1, 15.35, 12.45) [0.7929, 0.7555, 0.6131]\n", + " PeriodicSite: Li (8.665, 5.916, 6.754) [0.4266, 0.2913, 0.3325]\n", + " PeriodicSite: Li (9.531, 1.238, 12.68) [0.4692, 0.06096, 0.624]\n", + " PeriodicSite: Li (9.358, 12.77, 5.191) [0.4607, 0.6286, 0.2556]\n", + " PeriodicSite: Li (7.339, 14.7, 10.61) [0.3613, 0.7238, 0.5225]\n", + " PeriodicSite: Li (20.02, 1.541, 2.352) [0.9856, 0.07587, 0.1158]\n", + " PeriodicSite: Li (19.3, 4.602, 13.82) [0.9501, 0.2266, 0.6805]\n", + " PeriodicSite: Li (17.18, 14.98, 2.206) [0.8459, 0.7375, 0.1086]\n", + " PeriodicSite: Li (15.02, 12.29, 13.2) [0.7393, 0.605, 0.6498]\n", + " PeriodicSite: Li (3.114, 20.02, 3.166) [0.1533, 0.9859, 0.1559]\n", + " PeriodicSite: Li (6.549, 0.04653, 12.91) [0.3224, 0.002289, 0.6356]\n", + " PeriodicSite: Li (5.271, 13.53, 1.93) [0.2595, 0.6662, 0.09501]\n", + " PeriodicSite: Li (6.975, 7.993, 15.33) [0.3434, 0.3935, 0.7545]\n", + " PeriodicSite: Li (18.27, 4.419, 3.217) [0.8995, 0.2176, 0.1584]\n", + " PeriodicSite: Li (17.18, 0.07285, 13.77) [0.8458, 0.003579, 0.6781]\n", + " PeriodicSite: Li (16.99, 12.94, 0.6511) [0.8363, 0.6372, 0.03206]\n", + " PeriodicSite: Li (19.1, 12.37, 11.35) [0.9405, 0.6089, 0.5589]\n", + " PeriodicSite: Li (7.284, 3.87, 0.2538) [0.3586, 0.1905, 0.0125]\n", + " PeriodicSite: Li (5.576, 2.849, 10.77) [0.2745, 0.1403, 0.5303]\n", + " PeriodicSite: Li (9.523, 11.48, 1.747) [0.4688, 0.5653, 0.086]\n", + " PeriodicSite: Li (7.778, 10.2, 10.66) [0.3829, 0.5022, 0.5249]\n", + " PeriodicSite: Li (15.52, 3.144, 1.627) [0.764, 0.1548, 0.08008]\n", + " PeriodicSite: Li (15.59, 3.166, 11.52) [0.7675, 0.1559, 0.567]\n", + " PeriodicSite: Li (1.165, 12.22, 19.47) [0.05737, 0.6018, 0.9588]\n", + " PeriodicSite: Li (18.69, 13.47, 14.82) [0.9199, 0.6631, 0.7296]\n", + " PeriodicSite: Li (8.559, 0.583, 1.965) [0.4214, 0.0287, 0.09675]\n", + " PeriodicSite: Li (8.661, 2.295, 10.43) [0.4264, 0.113, 0.5136]\n", + " PeriodicSite: Li (6.054, 11.87, 4.85) [0.298, 0.5846, 0.2388]\n", + " PeriodicSite: Li (4.859, 13.23, 11.91) [0.2392, 0.6513, 0.5864]\n", + " PeriodicSite: Li (17.31, 3.109, 20.3) [0.8521, 0.1531, 0.9995]\n", + " PeriodicSite: Li (1.902, 6.889, 15.22) [0.09363, 0.3392, 0.7492]\n", + " PeriodicSite: Li (3.613, 14.97, 8.078) [0.1779, 0.7368, 0.3977]\n", + " PeriodicSite: Li (16.62, 13.65, 10.56) [0.8183, 0.672, 0.5197]\n", + " PeriodicSite: Li (13.02, 8.324, 4.856) [0.6412, 0.4098, 0.2391]\n", + " PeriodicSite: Li (5.031, 8.064, 17.22) [0.2477, 0.397, 0.8478]\n", + " PeriodicSite: Li (5.888, 16.35, 8.217) [0.2899, 0.8049, 0.4045]\n", + " PeriodicSite: Li (7.705, 16.24, 19.73) [0.3793, 0.7996, 0.9716]\n", + " PeriodicSite: Li (15.45, 9.057, 7.0) [0.7605, 0.4459, 0.3446]\n", + " PeriodicSite: Li (3.416, 5.019, 18.92) [0.1682, 0.2471, 0.9312]\n", + " PeriodicSite: Li (17.51, 18.85, 5.466) [0.8619, 0.9281, 0.2691]\n", + " PeriodicSite: Li (19.78, 18.86, 18.13) [0.9737, 0.9284, 0.8926]\n", + " PeriodicSite: Li (6.618, 8.129, 5.145) [0.3258, 0.4002, 0.2533]\n", + " PeriodicSite: Li (8.209, 5.517, 17.18) [0.4041, 0.2716, 0.8459]\n", + " PeriodicSite: Li (8.331, 20.24, 8.104) [0.4101, 0.9965, 0.3989]\n", + " PeriodicSite: Li (7.335, 19.48, 15.78) [0.3611, 0.9592, 0.7767]\n", + " PeriodicSite: Li (18.11, 10.11, 8.158) [0.8914, 0.4975, 0.4016]\n", + " PeriodicSite: Li (19.21, 7.876, 15.89) [0.9457, 0.3877, 0.7823]\n", + " PeriodicSite: Li (18.5, 19.99, 8.705) [0.9106, 0.9841, 0.4286]\n", + " PeriodicSite: Li (18.31, 16.0, 16.74) [0.9013, 0.7879, 0.8243]\n", + " PeriodicSite: Li (6.542, 5.081, 8.828) [0.3221, 0.2502, 0.4346]\n", + " PeriodicSite: Li (5.894, 6.788, 19.59) [0.2902, 0.3342, 0.9645]\n", + " PeriodicSite: Li (8.914, 18.15, 9.704) [0.4388, 0.8935, 0.4777]\n", + " PeriodicSite: Li (11.16, 13.3, 15.32) [0.5495, 0.6549, 0.754]\n", + " PeriodicSite: Li (20.28, 7.929, 7.808) [0.9982, 0.3903, 0.3844]\n", + " PeriodicSite: Li (18.74, 5.587, 17.43) [0.9224, 0.275, 0.8579]\n", + " PeriodicSite: Li (16.94, 17.48, 10.21) [0.8339, 0.8606, 0.5027]\n", + " PeriodicSite: Li (17.39, 16.83, 0.3317) [0.8561, 0.8287, 0.01634]\n", + " PeriodicSite: Li (9.798, 8.905, 8.095) [0.4823, 0.4384, 0.3985]\n", + " PeriodicSite: Li (8.838, 8.096, 19.82) [0.4351, 0.3986, 0.9759]\n", + " PeriodicSite: Li (5.797, 19.52, 7.327) [0.2854, 0.961, 0.3607]\n", + " PeriodicSite: Li (8.342, 14.6, 2.892) [0.4107, 0.719, 0.1424]\n", + " PeriodicSite: Li (16.92, 5.354, 10.06) [0.8329, 0.2636, 0.4955]\n", + " PeriodicSite: Li (18.55, 9.957, 18.77) [0.9134, 0.4902, 0.9239]\n", + " PeriodicSite: Li (15.34, 18.4, 7.739) [0.7553, 0.906, 0.381]\n", + " PeriodicSite: Li (15.12, 18.3, 16.7) [0.7445, 0.9007, 0.822]\n", + " PeriodicSite: Li (6.648, 5.407, 11.92) [0.3273, 0.2662, 0.5869]\n", + " PeriodicSite: Li (7.345, 9.995, 17.97) [0.3616, 0.492, 0.8844]\n", + " PeriodicSite: Li (10.04, 17.33, 6.994) [0.4941, 0.853, 0.3443]\n", + " PeriodicSite: Li (10.77, 17.91, 1.553) [0.5303, 0.8817, 0.07645]\n", + " PeriodicSite: Li (18.06, 7.404, 5.36) [0.8892, 0.3645, 0.2639]\n", + " PeriodicSite: Li (15.0, 3.561, 18.43) [0.7383, 0.1753, 0.9073]\n", + " PeriodicSite: Li (19.68, 17.27, 7.05) [0.9688, 0.8503, 0.3471]\n", + " PeriodicSite: Li (18.02, 0.3254, 0.7834) [0.8873, 0.01601, 0.03857]\n", + " PeriodicSite: Li (3.464, 10.05, 2.921) [0.1705, 0.4948, 0.1438]\n", + " PeriodicSite: Li (9.662, 7.306, 17.31) [0.4757, 0.3597, 0.8523]\n", + " PeriodicSite: Li (7.679, 16.23, 5.915) [0.378, 0.7989, 0.2912]\n", + " PeriodicSite: Li (8.4, 19.5, 18.43) [0.4135, 0.9598, 0.9072]\n", + " PeriodicSite: Li (18.54, 5.33, 7.393) [0.9128, 0.2624, 0.364]\n", + " PeriodicSite: Li (16.49, 12.02, 15.46) [0.8119, 0.5919, 0.7613]\n", + " PeriodicSite: Li (17.89, 14.85, 5.029) [0.8807, 0.7309, 0.2476]\n", + " PeriodicSite: Li (13.42, 0.8599, 13.92) [0.6606, 0.04233, 0.6855]\n", + " PeriodicSite: Cl (7.457, 12.71, 12.39) [0.3671, 0.6257, 0.6102]\n", + " PeriodicSite: Cl (2.541, 12.44, 17.71) [0.1251, 0.6123, 0.8717]\n", + " PeriodicSite: Cl (12.7, 17.55, 12.37) [0.6253, 0.864, 0.609]\n", + " PeriodicSite: Cl (17.58, 7.715, 17.86) [0.8656, 0.3798, 0.8794]\n", + " PeriodicSite: Cl (7.228, 2.288, 2.314) [0.3558, 0.1127, 0.1139]\n", + " PeriodicSite: Cl (7.404, 7.343, 7.801) [0.3645, 0.3615, 0.384]\n", + " PeriodicSite: Cl (12.42, 12.73, 7.336) [0.6114, 0.6267, 0.3612]\n", + " PeriodicSite: Cl (2.734, 7.828, 2.395) [0.1346, 0.3854, 0.1179]\n", + " PeriodicSite: Cl (2.606, 7.832, 13.01) [0.1283, 0.3856, 0.6406]\n", + " PeriodicSite: Cl (12.58, 12.67, 17.3) [0.6192, 0.6237, 0.8518]\n", + " PeriodicSite: Cl (17.5, 17.9, 18.01) [0.8616, 0.8814, 0.8866]\n", + " PeriodicSite: Cl (2.552, 2.8, 7.527) [0.1256, 0.1378, 0.3706]\n", + " PeriodicSite: Cl (12.78, 3.293, 17.72) [0.6292, 0.1621, 0.8722]\n", + " PeriodicSite: Cl (12.78, 7.862, 2.381) [0.629, 0.3871, 0.1172]\n", + " PeriodicSite: Cl (17.58, 2.854, 12.91) [0.8657, 0.1405, 0.6354]\n", + " PeriodicSite: Cl (7.438, 17.62, 17.26) [0.3662, 0.8674, 0.8495]\n", + " PeriodicSite: Cl (20.27, 20.06, 0.1591) [0.998, 0.9875, 0.007839]\n", + " PeriodicSite: Cl (0.1311, 0.2539, 10.27) [0.006459, 0.0125, 0.5055]\n", + " PeriodicSite: Cl (20.31, 10.15, 20.25) [0.9998, 0.4996, 0.9972]\n", + " PeriodicSite: Cl (19.81, 10.3, 9.936) [0.9752, 0.5069, 0.4892]\n", + " PeriodicSite: Cl (10.01, 19.97, 0.07031) [0.493, 0.9832, 0.003466]\n", + " PeriodicSite: Cl (10.03, 0.2947, 9.478) [0.4936, 0.0145, 0.4666]\n", + " PeriodicSite: Cl (9.953, 10.31, 19.87) [0.49, 0.5075, 0.9783]\n", + " PeriodicSite: Cl (10.27, 10.01, 10.37) [0.5055, 0.4926, 0.5105]\n", + " PeriodicSite: Cl (19.8, 5.56, 5.188) [0.9748, 0.2737, 0.2554]\n", + " PeriodicSite: Cl (0.001294, 5.275, 15.85) [6.563e-05, 0.2597, 0.7802]\n", + " PeriodicSite: Cl (20.29, 15.24, 5.166) [0.9988, 0.7504, 0.2544]\n", + " PeriodicSite: Cl (0.1024, 15.36, 15.03) [0.005036, 0.7563, 0.7398]\n", + " PeriodicSite: Cl (10.25, 5.617, 4.867) [0.5045, 0.2765, 0.2396]\n", + " PeriodicSite: Cl (9.657, 5.465, 15.28) [0.4754, 0.2691, 0.7521]\n", + " PeriodicSite: Cl (10.05, 14.96, 5.256) [0.4946, 0.7364, 0.2588]\n", + " PeriodicSite: Cl (10.31, 15.45, 15.09) [0.5075, 0.7605, 0.7428]\n", + " PeriodicSite: S (5.007, 20.07, 5.225) [0.2465, 0.9879, 0.2572]\n", + " PeriodicSite: S (5.073, 0.04661, 14.82) [0.2498, 0.002293, 0.7296]\n", + " PeriodicSite: S (4.982, 9.714, 5.022) [0.2453, 0.4783, 0.2472]\n", + " PeriodicSite: S (5.254, 10.18, 15.04) [0.2587, 0.5011, 0.7402]\n", + " PeriodicSite: S (15.64, 0.02441, 5.317) [0.7698, 0.001195, 0.2618]\n", + " PeriodicSite: S (15.21, 20.17, 15.07) [0.7489, 0.9932, 0.7417]\n", + " PeriodicSite: S (14.91, 10.48, 4.996) [0.7341, 0.516, 0.246]\n", + " PeriodicSite: S (14.87, 10.52, 14.71) [0.7322, 0.5177, 0.7241]\n", + " PeriodicSite: S (5.028, 4.545, 20.16) [0.2475, 0.2238, 0.9926]\n", + " PeriodicSite: S (4.737, 4.973, 10.37) [0.2332, 0.2448, 0.5104]\n", + " PeriodicSite: S (5.272, 15.2, 20.1) [0.2595, 0.7484, 0.9896]\n", + " PeriodicSite: S (4.752, 14.99, 10.03) [0.234, 0.7378, 0.4937]\n", + " PeriodicSite: S (15.25, 5.021, 0.03477) [0.7506, 0.2472, 0.001716]\n", + " PeriodicSite: S (14.73, 5.33, 10.39) [0.725, 0.2624, 0.5114]\n", + " PeriodicSite: S (15.52, 15.18, 0.3023) [0.7641, 0.7472, 0.01489]\n", + " PeriodicSite: S (15.26, 15.43, 10.17) [0.7514, 0.7598, 0.5006]\n", + " PeriodicSite: S (8.878, 4.064, 8.782) [0.4371, 0.2001, 0.4323]\n", + " PeriodicSite: S (9.125, 4.179, 18.93) [0.4492, 0.2057, 0.9321]\n", + " PeriodicSite: S (8.812, 14.03, 8.792) [0.4338, 0.6908, 0.4328]\n", + " PeriodicSite: S (9.102, 14.2, 18.83) [0.4481, 0.6989, 0.9271]\n", + " PeriodicSite: S (18.97, 4.069, 9.483) [0.934, 0.2003, 0.4669]\n", + " PeriodicSite: S (19.51, 3.711, 19.41) [0.9604, 0.1827, 0.9556]\n", + " PeriodicSite: S (18.69, 14.13, 8.938) [0.92, 0.6958, 0.44]\n", + " PeriodicSite: S (18.87, 14.44, 19.21) [0.9289, 0.7107, 0.946]\n", + " PeriodicSite: S (4.264, 0.7216, 1.372) [0.2099, 0.03552, 0.06756]\n", + " PeriodicSite: S (3.66, 1.137, 10.96) [0.1802, 0.05599, 0.5397]\n", + " PeriodicSite: S (3.798, 11.59, 0.8874) [0.187, 0.5707, 0.04369]\n", + " PeriodicSite: S (4.084, 11.26, 11.84) [0.2011, 0.5543, 0.5828]\n", + " PeriodicSite: S (13.94, 1.401, 1.046) [0.6861, 0.06899, 0.05151]\n", + " PeriodicSite: S (14.05, 1.339, 11.44) [0.6915, 0.0659, 0.5633]\n", + " PeriodicSite: S (14.03, 11.14, 1.059) [0.6905, 0.5486, 0.05214]\n", + " PeriodicSite: S (13.82, 11.35, 11.16) [0.6802, 0.5589, 0.5493]\n", + " PeriodicSite: S (6.153, 0.9499, 8.863) [0.3029, 0.04676, 0.4363]\n", + " PeriodicSite: S (6.528, 0.7529, 19.19) [0.3214, 0.03706, 0.9448]\n", + " PeriodicSite: S (6.283, 11.12, 9.035) [0.3093, 0.5475, 0.4448]\n", + " PeriodicSite: S (5.988, 11.7, 18.78) [0.2948, 0.5758, 0.9246]\n", + " PeriodicSite: S (16.7, 1.233, 9.366) [0.8222, 0.06069, 0.4611]\n", + " PeriodicSite: S (16.51, 1.255, 19.07) [0.8127, 0.06176, 0.9386]\n", + " PeriodicSite: S (16.21, 11.48, 9.086) [0.7979, 0.5653, 0.4473]\n", + " PeriodicSite: S (16.57, 11.17, 19.37) [0.8159, 0.5499, 0.9538]\n", + " PeriodicSite: S (1.275, 4.304, 1.603) [0.06276, 0.2119, 0.07891]\n", + " PeriodicSite: S (0.7843, 3.882, 12.03) [0.03861, 0.1911, 0.5921]\n", + " PeriodicSite: S (1.035, 13.7, 0.9178) [0.05094, 0.6745, 0.04518]\n", + " PeriodicSite: S (0.6381, 14.03, 11.33) [0.03141, 0.6908, 0.5578]\n", + " PeriodicSite: S (11.15, 4.054, 1.199) [0.549, 0.1996, 0.05905]\n", + " PeriodicSite: S (11.01, 4.078, 11.13) [0.5419, 0.2007, 0.548]\n", + " PeriodicSite: S (11.47, 13.64, 1.062) [0.5648, 0.6717, 0.05231]\n", + " PeriodicSite: S (11.65, 13.85, 10.94) [0.5736, 0.6818, 0.5388]\n", + " PeriodicSite: S (2.991, 2.445, 18.09) [0.1472, 0.1204, 0.8907]\n", + " PeriodicSite: S (2.493, 12.98, 7.512) [0.1227, 0.6392, 0.3698]\n", + " PeriodicSite: S (12.9, 2.518, 7.607) [0.6349, 0.124, 0.3745]\n", + " PeriodicSite: S (8.826, 8.629, 3.675) [0.4345, 0.4248, 0.1809]\n", + " PeriodicSite: S (8.979, 8.85, 13.94) [0.442, 0.4357, 0.6863]\n", + " PeriodicSite: S (9.096, 19.15, 3.432) [0.4478, 0.9428, 0.169]\n", + " PeriodicSite: S (9.217, 19.56, 13.98) [0.4538, 0.9627, 0.6881]\n", + " PeriodicSite: S (19.45, 8.927, 3.845) [0.9575, 0.4395, 0.1893]\n", + " PeriodicSite: S (19.36, 8.748, 13.75) [0.9533, 0.4307, 0.6769]\n", + " PeriodicSite: S (18.72, 19.95, 3.863) [0.9215, 0.982, 0.1902]\n", + " PeriodicSite: S (19.09, 19.31, 14.74) [0.9399, 0.9506, 0.7257]\n", + " PeriodicSite: S (3.706, 6.049, 6.441) [0.1825, 0.2978, 0.3171]\n", + " PeriodicSite: S (3.966, 6.147, 16.67) [0.1952, 0.3026, 0.8205]\n", + " PeriodicSite: S (3.807, 16.29, 6.065) [0.1874, 0.8018, 0.2986]\n", + " PeriodicSite: S (3.507, 16.04, 16.28) [0.1727, 0.7898, 0.8016]\n", + " PeriodicSite: S (13.88, 6.44, 6.17) [0.6833, 0.3171, 0.3038]\n", + " PeriodicSite: S (13.6, 6.289, 16.22) [0.6698, 0.3096, 0.7985]\n", + " PeriodicSite: S (13.97, 16.64, 6.541) [0.6878, 0.8193, 0.322]\n", + " PeriodicSite: S (14.02, 16.12, 17.0) [0.6901, 0.7936, 0.837]\n", + " PeriodicSite: S (5.678, 6.372, 3.746) [0.2795, 0.3137, 0.1844]\n", + " PeriodicSite: S (6.106, 6.441, 13.97) [0.3006, 0.3171, 0.6879]\n", + " PeriodicSite: S (6.282, 16.09, 4.002) [0.3092, 0.7922, 0.197]\n", + " PeriodicSite: S (6.009, 16.36, 13.96) [0.2958, 0.8052, 0.6873]\n", + " PeriodicSite: S (16.37, 6.274, 3.843) [0.8061, 0.3089, 0.1892]\n", + " PeriodicSite: S (16.25, 6.708, 14.32) [0.8001, 0.3302, 0.705]\n", + " PeriodicSite: S (16.74, 16.61, 4.184) [0.8243, 0.8177, 0.206]\n", + " PeriodicSite: S (15.94, 16.72, 14.5) [0.7845, 0.8232, 0.7138]\n", + " PeriodicSite: S (1.52, 8.969, 6.23) [0.07485, 0.4416, 0.3067]\n", + " PeriodicSite: S (0.9454, 9.436, 16.67) [0.04654, 0.4645, 0.8209]\n", + " PeriodicSite: S (0.9669, 18.65, 5.724) [0.0476, 0.918, 0.2818]\n", + " PeriodicSite: S (1.426, 19.03, 16.73) [0.07019, 0.9371, 0.8237]\n", + " PeriodicSite: S (11.1, 8.757, 6.161) [0.5467, 0.4311, 0.3033]\n", + " PeriodicSite: S (11.06, 9.049, 16.45) [0.5444, 0.4455, 0.8098]\n", + " PeriodicSite: S (11.54, 19.37, 5.926) [0.5681, 0.9536, 0.2917]\n", + " PeriodicSite: S (11.57, 19.23, 16.34) [0.5698, 0.9467, 0.8045]\n", + " PeriodicSite: S (2.873, 17.59, 2.434) [0.1414, 0.8658, 0.1198]\n", + " PeriodicSite: S (2.059, 18.22, 12.85) [0.1014, 0.8968, 0.6328]\n", + " PeriodicSite: S (12.72, 7.687, 12.49) [0.6262, 0.3784, 0.6151]\n", + " PeriodicSite: S (12.85, 18.11, 2.65) [0.6326, 0.8914, 0.1305]\n", + " PeriodicSite: S (3.798, 3.774, 3.743) [0.187, 0.1858, 0.1843]\n", + " PeriodicSite: S (4.008, 3.948, 14.14) [0.1973, 0.1944, 0.6962]\n", + " PeriodicSite: S (4.056, 13.42, 4.239) [0.1997, 0.6605, 0.2087]\n", + " PeriodicSite: S (3.617, 13.85, 13.94) [0.1781, 0.6821, 0.6861]\n", + " PeriodicSite: S (14.11, 3.895, 4.074) [0.6945, 0.1917, 0.2006]\n", + " PeriodicSite: S (13.83, 4.049, 14.0) [0.681, 0.1993, 0.6894]\n", + " PeriodicSite: S (14.04, 14.66, 3.91) [0.6911, 0.7218, 0.1925]\n", + " PeriodicSite: S (13.84, 14.24, 14.19) [0.6815, 0.7012, 0.6985]\n", + " PeriodicSite: S (8.819, 1.082, 5.974) [0.4342, 0.05324, 0.2941]\n", + " PeriodicSite: S (8.797, 0.864, 16.82) [0.4331, 0.04253, 0.8283]\n", + " PeriodicSite: S (8.584, 10.74, 6.228) [0.4226, 0.5285, 0.3066]\n", + " PeriodicSite: S (9.015, 11.46, 16.44) [0.4438, 0.5641, 0.8095]\n", + " PeriodicSite: S (19.3, 1.048, 6.713) [0.95, 0.0516, 0.3305]\n", + " PeriodicSite: S (19.48, 0.9804, 17.22) [0.9591, 0.04826, 0.8478]\n", + " PeriodicSite: S (19.34, 11.38, 6.382) [0.9523, 0.5602, 0.3142]\n", + " PeriodicSite: S (18.71, 11.08, 16.07) [0.9212, 0.5456, 0.7909]\n", + " PeriodicSite: S (1.253, 1.336, 4.385) [0.06171, 0.06579, 0.2159]\n", + " PeriodicSite: S (1.27, 1.309, 14.71) [0.0625, 0.06444, 0.7244]\n", + " PeriodicSite: S (1.125, 11.35, 3.841) [0.05537, 0.5587, 0.1891]\n", + " PeriodicSite: S (1.024, 11.54, 14.04) [0.05043, 0.5684, 0.6913]\n", + " PeriodicSite: S (11.13, 1.351, 3.659) [0.548, 0.06648, 0.1801]\n", + " PeriodicSite: S (11.37, 1.658, 14.68) [0.5599, 0.0816, 0.7226]\n", + " PeriodicSite: S (10.84, 11.16, 3.898) [0.5337, 0.5492, 0.1919]\n", + " PeriodicSite: S (11.21, 11.36, 14.02) [0.5519, 0.5594, 0.6901]\n", + " PeriodicSite: S (6.356, 4.139, 6.244) [0.3129, 0.2038, 0.3074]\n", + " PeriodicSite: S (6.477, 3.931, 16.26) [0.3189, 0.1935, 0.8004]\n", + " PeriodicSite: S (6.401, 14.16, 6.657) [0.3151, 0.6969, 0.3277]\n", + " PeriodicSite: S (6.235, 14.02, 16.33) [0.307, 0.6905, 0.8038]\n", + " PeriodicSite: S (16.34, 4.076, 6.681) [0.8043, 0.2006, 0.3289]\n", + " PeriodicSite: S (16.41, 4.057, 16.39) [0.8079, 0.1997, 0.8068]\n", + " PeriodicSite: S (16.16, 14.07, 6.371) [0.7955, 0.6925, 0.3136]\n", + " PeriodicSite: S (16.53, 14.1, 16.53) [0.8137, 0.6939, 0.8139]\n", + " PeriodicSite: S (7.446, 2.49, 12.43) [0.3666, 0.1226, 0.6121]\n", + " PeriodicSite: S (7.463, 12.48, 2.344) [0.3674, 0.6145, 0.1154]\n", + " PeriodicSite: S (17.57, 2.254, 2.18) [0.8648, 0.111, 0.1073]\n", + " PeriodicSite: S (17.87, 12.79, 2.876) [0.8798, 0.6297, 0.1416]\n", + " PeriodicSite: S (17.26, 12.88, 12.84) [0.8497, 0.6343, 0.632]\n", + " PeriodicSite: S (3.534, 9.048, 9.273) [0.174, 0.4455, 0.4565]\n", + " PeriodicSite: S (3.662, 9.122, 19.05) [0.1803, 0.4491, 0.9379]\n", + " PeriodicSite: S (3.814, 18.92, 8.824) [0.1877, 0.9312, 0.4344]\n", + " PeriodicSite: S (4.191, 18.72, 19.43) [0.2063, 0.9214, 0.9567]\n", + " PeriodicSite: S (13.81, 9.206, 8.767) [0.68, 0.4532, 0.4316]\n", + " PeriodicSite: S (14.03, 8.816, 19.13) [0.6907, 0.434, 0.9418]\n", + " PeriodicSite: S (14.29, 19.17, 9.588) [0.7037, 0.944, 0.472]\n", + " PeriodicSite: S (14.0, 19.27, 19.01) [0.6894, 0.9488, 0.9361]\n", + " PeriodicSite: S (8.696, 6.201, 1.436) [0.4281, 0.3053, 0.0707]\n", + " PeriodicSite: S (8.637, 6.456, 11.23) [0.4252, 0.3178, 0.5531]\n", + " PeriodicSite: S (9.21, 16.09, 1.14) [0.4534, 0.7923, 0.05611]\n", + " PeriodicSite: S (9.228, 16.26, 11.19) [0.4543, 0.8007, 0.5511]\n", + " PeriodicSite: S (19.16, 6.305, 1.407) [0.9435, 0.3104, 0.06925]\n", + " PeriodicSite: S (19.1, 6.581, 11.54) [0.9402, 0.324, 0.5683]\n", + " PeriodicSite: S (19.36, 16.27, 1.69) [0.9532, 0.801, 0.08319]\n", + " PeriodicSite: S (19.11, 16.77, 11.37) [0.941, 0.8254, 0.5595]\n", + " PeriodicSite: S (1.496, 6.133, 9.517) [0.07363, 0.302, 0.4685]\n", + " PeriodicSite: S (1.323, 6.095, 19.12) [0.06514, 0.3001, 0.9413]\n", + " PeriodicSite: S (1.081, 16.17, 8.715) [0.05323, 0.7958, 0.4291]\n", + " PeriodicSite: S (1.286, 16.63, 19.37) [0.06332, 0.8188, 0.9535]\n", + " PeriodicSite: S (10.98, 6.522, 8.755) [0.5404, 0.3211, 0.431]\n", + " PeriodicSite: S (11.14, 6.721, 19.27) [0.5485, 0.3309, 0.9487]\n", + " PeriodicSite: S (11.42, 16.34, 8.689) [0.5624, 0.8046, 0.4278]\n", + " PeriodicSite: S (11.81, 16.2, 19.29) [0.5816, 0.7974, 0.9496]\n", + " PeriodicSite: S (6.342, 9.081, 0.6939) [0.3122, 0.4471, 0.03416]\n", + " PeriodicSite: S (6.092, 8.733, 11.32) [0.2999, 0.4299, 0.5573]\n", + " PeriodicSite: S (6.733, 18.83, 1.329) [0.3315, 0.9269, 0.06542]\n", + " PeriodicSite: S (6.168, 18.83, 11.03) [0.3036, 0.927, 0.5431]\n", + " PeriodicSite: S (16.41, 8.612, 1.012) [0.8081, 0.424, 0.04982]\n", + " PeriodicSite: S (16.41, 9.267, 11.32) [0.8079, 0.4562, 0.5573]\n", + " PeriodicSite: S (16.19, 19.26, 1.287) [0.797, 0.9483, 0.06339]\n", + " PeriodicSite: S (16.63, 19.24, 11.69) [0.8189, 0.9473, 0.5753]\n", + " PeriodicSite: S (7.21, 7.588, 17.85) [0.3549, 0.3736, 0.8785]\n", + " PeriodicSite: S (7.761, 18.05, 7.482) [0.3821, 0.8885, 0.3684]\n", + " PeriodicSite: S (17.91, 7.764, 7.847) [0.8819, 0.3822, 0.3863]\n", + " PeriodicSite: S (17.64, 18.09, 7.636) [0.8684, 0.8908, 0.376]\n", + " PeriodicSite: P (5.442, 19.82, 0.2038) [0.2679, 0.9757, 0.01004]\n", + " PeriodicSite: P (4.934, 20.09, 10.1) [0.2429, 0.989, 0.4974]\n", + " PeriodicSite: P (5.057, 10.37, 20.11) [0.249, 0.5104, 0.99]\n", + " PeriodicSite: P (4.895, 10.08, 10.34) [0.241, 0.4965, 0.5089]\n", + " PeriodicSite: P (15.18, 0.1413, 20.16) [0.7472, 0.006951, 0.9927]\n", + " PeriodicSite: P (15.51, 0.2405, 10.61) [0.7638, 0.01184, 0.5221]\n", + " PeriodicSite: P (15.32, 9.913, 20.27) [0.7542, 0.488, 0.9981]\n", + " PeriodicSite: P (15.02, 10.1, 10.08) [0.7396, 0.4975, 0.4963]\n", + " PeriodicSite: P (4.871, 5.026, 5.081) [0.2398, 0.2474, 0.2501]\n", + " PeriodicSite: P (5.13, 5.189, 15.35) [0.2525, 0.2555, 0.7556]\n", + " PeriodicSite: P (5.089, 14.95, 5.221) [0.2505, 0.736, 0.2571]\n", + " PeriodicSite: P (4.851, 15.04, 15.07) [0.2388, 0.7403, 0.7419]\n", + " PeriodicSite: P (15.3, 5.113, 5.228) [0.7533, 0.2517, 0.2574]\n", + " PeriodicSite: P (15.11, 5.196, 15.27) [0.7438, 0.2558, 0.7519]\n", + " PeriodicSite: P (15.28, 15.56, 5.256) [0.7521, 0.766, 0.2588]\n", + " PeriodicSite: P (15.11, 15.2, 15.53) [0.744, 0.7485, 0.7647]\n", + " PeriodicSite: P (20.23, 0.02611, 5.193) [0.996, 0.001276, 0.2557]\n", + " PeriodicSite: P (0.2059, 0.0572, 15.8) [0.01014, 0.002817, 0.7778]\n", + " PeriodicSite: P (0.2232, 10.03, 5.23) [0.01098, 0.4937, 0.2575]\n", + " PeriodicSite: P (20.23, 10.19, 14.95) [0.9959, 0.5015, 0.7359]\n", + " PeriodicSite: P (10.03, 20.24, 4.763) [0.4939, 0.9963, 0.2345]\n", + " PeriodicSite: P (10.21, 0.2314, 15.47) [0.5029, 0.01139, 0.7617]\n", + " PeriodicSite: P (9.776, 9.763, 5.016) [0.4813, 0.4806, 0.247]\n", + " PeriodicSite: P (9.962, 10.05, 15.15) [0.4904, 0.4949, 0.7458]\n", + " PeriodicSite: P (0.1438, 5.107, 0.2809) [0.007076, 0.2514, 0.01383]\n", + " PeriodicSite: P (0.01225, 5.243, 10.57) [0.0006035, 0.2581, 0.5201]\n", + " PeriodicSite: P (0.04658, 15.24, 0.05111) [0.002286, 0.7503, 0.002518]\n", + " PeriodicSite: P (20.04, 15.42, 10.09) [0.9865, 0.759, 0.4966]\n", + " PeriodicSite: P (9.905, 5.323, 0.1024) [0.4876, 0.2621, 0.005046]\n", + " PeriodicSite: P (9.913, 5.368, 10.03) [0.4881, 0.2643, 0.494]\n", + " PeriodicSite: P (10.42, 14.9, 20.2) [0.5128, 0.7336, 0.9943]\n", + " PeriodicSite: P (10.25, 15.08, 9.885) [0.5047, 0.7425, 0.4867],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.618, 3.755, 5.512) [0.07965, 0.1848, 0.2714]\n", + " PeriodicSite: Li (0.6618, 2.851, 16.84) [0.03258, 0.1404, 0.8291]\n", + " PeriodicSite: Li (2.875, 13.06, 10.23) [0.1416, 0.643, 0.5034]\n", + " PeriodicSite: Li (2.147, 13.56, 15.97) [0.1057, 0.6676, 0.7863]\n", + " PeriodicSite: Li (15.09, 1.895, 7.153) [0.7429, 0.09329, 0.3521]\n", + " PeriodicSite: Li (11.88, 4.67, 16.71) [0.5846, 0.2299, 0.8226]\n", + " PeriodicSite: Li (15.32, 12.17, 3.265) [0.7544, 0.5991, 0.1607]\n", + " PeriodicSite: Li (15.39, 8.812, 16.61) [0.7575, 0.4338, 0.8179]\n", + " PeriodicSite: Li (2.893, 4.884, 8.565) [0.1424, 0.2405, 0.4217]\n", + " PeriodicSite: Li (4.663, 20.21, 17.59) [0.2296, 0.9949, 0.8662]\n", + " PeriodicSite: Li (5.325, 9.5, 7.134) [0.2622, 0.4677, 0.3512]\n", + " PeriodicSite: Li (6.89, 10.1, 13.33) [0.3392, 0.4973, 0.6562]\n", + " PeriodicSite: Li (12.23, 4.43, 6.31) [0.6019, 0.2181, 0.3107]\n", + " PeriodicSite: Li (14.37, 6.527, 19.07) [0.7077, 0.3213, 0.9389]\n", + " PeriodicSite: Li (10.27, 7.939, 11.84) [0.5057, 0.3908, 0.583]\n", + " PeriodicSite: Li (11.5, 16.24, 17.24) [0.566, 0.7994, 0.8488]\n", + " PeriodicSite: Li (3.172, 19.65, 6.287) [0.1562, 0.9676, 0.3095]\n", + " PeriodicSite: Li (3.305, 1.432, 15.58) [0.1627, 0.0705, 0.7668]\n", + " PeriodicSite: Li (3.428, 11.23, 5.944) [0.1687, 0.5529, 0.2926]\n", + " PeriodicSite: Li (6.199, 11.8, 15.49) [0.3052, 0.5811, 0.7626]\n", + " PeriodicSite: Li (12.47, 0.507, 8.096) [0.6139, 0.02495, 0.3986]\n", + " PeriodicSite: Li (10.34, 1.954, 19.95) [0.5089, 0.09618, 0.9824]\n", + " PeriodicSite: Li (13.4, 14.38, 9.394) [0.6599, 0.708, 0.4625]\n", + " PeriodicSite: Li (10.3, 11.92, 18.53) [0.507, 0.587, 0.9122]\n", + " PeriodicSite: Li (0.7423, 1.574, 8.335) [0.03654, 0.07751, 0.4103]\n", + " PeriodicSite: Li (3.173, 2.957, 0.0124) [0.1562, 0.1456, 0.0006118]\n", + " PeriodicSite: Li (20.14, 13.62, 7.016) [0.9917, 0.6705, 0.3454]\n", + " PeriodicSite: Li (5.124, 13.42, 18.35) [0.2522, 0.6606, 0.9036]\n", + " PeriodicSite: Li (13.17, 1.694, 5.513) [0.6482, 0.0834, 0.2714]\n", + " PeriodicSite: Li (13.34, 0.6574, 16.98) [0.6567, 0.03236, 0.8361]\n", + " PeriodicSite: Li (11.89, 10.29, 8.666) [0.5855, 0.5066, 0.4267]\n", + " PeriodicSite: Li (15.54, 15.8, 18.17) [0.765, 0.7777, 0.8945]\n", + " PeriodicSite: Li (4.898, 1.81, 6.357) [0.2411, 0.0891, 0.313]\n", + " PeriodicSite: Li (1.338, 0.4546, 18.47) [0.06586, 0.02238, 0.9095]\n", + " PeriodicSite: Li (4.999, 12.92, 8.243) [0.2461, 0.6361, 0.4058]\n", + " PeriodicSite: Li (1.413, 17.17, 15.28) [0.06954, 0.8455, 0.7521]\n", + " PeriodicSite: Li (14.58, 4.547, 7.928) [0.7179, 0.2238, 0.3903]\n", + " PeriodicSite: Li (13.14, 3.697, 0.2832) [0.6469, 0.182, 0.01394]\n", + " PeriodicSite: Li (16.09, 15.99, 7.676) [0.7922, 0.7874, 0.3779]\n", + " PeriodicSite: Li (13.45, 14.51, 19.77) [0.6619, 0.7144, 0.9735]\n", + " PeriodicSite: Li (5.705, 1.336, 3.329) [0.2809, 0.06578, 0.1639]\n", + " PeriodicSite: Li (5.289, 2.748, 18.56) [0.2604, 0.1353, 0.9138]\n", + " PeriodicSite: Li (2.308, 13.7, 5.151) [0.1136, 0.6745, 0.2536]\n", + " PeriodicSite: Li (20.07, 13.16, 3.145) [0.9881, 0.6479, 0.1548]\n", + " PeriodicSite: Li (10.41, 2.805, 8.07) [0.5124, 0.1381, 0.3973]\n", + " PeriodicSite: Li (17.18, 0.09122, 17.06) [0.8456, 0.004484, 0.8399]\n", + " PeriodicSite: Li (14.98, 12.21, 6.632) [0.7375, 0.6012, 0.3265]\n", + " PeriodicSite: Li (13.14, 11.2, 16.17) [0.6469, 0.5516, 0.796]\n", + " PeriodicSite: Li (3.243, 10.17, 17.08) [0.1596, 0.5006, 0.8411]\n", + " PeriodicSite: Li (0.9277, 10.75, 8.323) [0.04567, 0.5295, 0.4097]\n", + " PeriodicSite: Li (5.328, 16.45, 18.1) [0.2623, 0.8097, 0.8911]\n", + " PeriodicSite: Li (2.001, 18.62, 10.31) [0.09849, 0.9167, 0.5075]\n", + " PeriodicSite: Li (14.6, 6.42, 1.832) [0.7188, 0.3161, 0.09018]\n", + " PeriodicSite: Li (14.06, 8.141, 14.31) [0.6923, 0.4008, 0.7043]\n", + " PeriodicSite: Li (12.1, 14.91, 6.662) [0.5959, 0.7341, 0.328]\n", + " PeriodicSite: Li (14.99, 18.4, 13.56) [0.738, 0.9058, 0.6677]\n", + " PeriodicSite: Li (3.519, 6.026, 1.804) [0.1733, 0.2966, 0.08884]\n", + " PeriodicSite: Li (2.747, 5.006, 12.02) [0.1352, 0.2465, 0.5917]\n", + " PeriodicSite: Li (5.186, 17.15, 1.29) [0.2553, 0.8442, 0.06351]\n", + " PeriodicSite: Li (4.218, 18.2, 14.53) [0.2077, 0.8962, 0.7152]\n", + " PeriodicSite: Li (17.02, 6.611, 0.2132) [0.8379, 0.3255, 0.0105]\n", + " PeriodicSite: Li (12.74, 5.252, 11.94) [0.6273, 0.2585, 0.588]\n", + " PeriodicSite: Li (13.35, 19.01, 4.474) [0.6571, 0.9361, 0.2203]\n", + " PeriodicSite: Li (11.01, 17.63, 14.25) [0.542, 0.8678, 0.7017]\n", + " PeriodicSite: Li (1.597, 9.283, 19.93) [0.07864, 0.457, 0.9811]\n", + " PeriodicSite: Li (3.885, 7.118, 10.57) [0.1913, 0.3504, 0.5202]\n", + " PeriodicSite: Li (3.158, 15.81, 0.9424) [0.1555, 0.7781, 0.0464]\n", + " PeriodicSite: Li (4.233, 16.69, 11.75) [0.2084, 0.8216, 0.5785]\n", + " PeriodicSite: Li (12.24, 9.258, 20.24) [0.6028, 0.4558, 0.9963]\n", + " PeriodicSite: Li (11.72, 6.999, 14.85) [0.5772, 0.3446, 0.7312]\n", + " PeriodicSite: Li (12.18, 15.56, 2.793) [0.5996, 0.7662, 0.1375]\n", + " PeriodicSite: Li (13.39, 15.37, 12.21) [0.6591, 0.7566, 0.601]\n", + " PeriodicSite: Li (0.5758, 6.649, 3.029) [0.02835, 0.3273, 0.1491]\n", + " PeriodicSite: Li (18.26, 8.43, 10.38) [0.899, 0.415, 0.5112]\n", + " PeriodicSite: Li (0.9289, 16.97, 3.558) [0.04572, 0.8353, 0.1752]\n", + " PeriodicSite: Li (20.28, 18.88, 12.5) [0.9982, 0.9294, 0.6153]\n", + " PeriodicSite: Li (10.21, 6.75, 2.761) [0.5025, 0.3323, 0.1359]\n", + " PeriodicSite: Li (12.98, 10.07, 12.99) [0.6393, 0.4957, 0.6394]\n", + " PeriodicSite: Li (14.1, 17.53, 0.08925) [0.694, 0.863, 0.004399]\n", + " PeriodicSite: Li (7.766, 15.85, 15.53) [0.3823, 0.7801, 0.7647]\n", + " PeriodicSite: Li (3.74, 8.019, 4.494) [0.1841, 0.3948, 0.2212]\n", + " PeriodicSite: Li (0.2405, 8.354, 12.05) [0.01184, 0.4113, 0.593]\n", + " PeriodicSite: Li (1.774, 18.3, 0.5645) [0.08734, 0.9011, 0.02779]\n", + " PeriodicSite: Li (2.506, 20.17, 13.13) [0.1234, 0.9932, 0.6464]\n", + " PeriodicSite: Li (14.22, 9.264, 2.851) [0.7002, 0.4561, 0.1404]\n", + " PeriodicSite: Li (13.25, 7.046, 10.13) [0.6524, 0.3469, 0.4989]\n", + " PeriodicSite: Li (12.42, 0.131, 1.999) [0.6115, 0.006445, 0.09841]\n", + " PeriodicSite: Li (13.57, 17.41, 10.37) [0.6679, 0.8569, 0.5104]\n", + " PeriodicSite: Li (5.346, 4.237, 2.425) [0.2632, 0.2086, 0.1194]\n", + " PeriodicSite: Li (4.81, 7.963, 13.67) [0.2368, 0.392, 0.6732]\n", + " PeriodicSite: Li (4.798, 17.81, 4.121) [0.2362, 0.8768, 0.2029]\n", + " PeriodicSite: Li (0.7714, 15.94, 12.65) [0.03797, 0.7848, 0.6228]\n", + " PeriodicSite: Li (12.68, 10.76, 5.56) [0.6244, 0.5299, 0.2737]\n", + " PeriodicSite: Li (15.06, 6.944, 12.15) [0.7416, 0.3418, 0.5982]\n", + " PeriodicSite: Li (14.91, 16.88, 2.346) [0.734, 0.8311, 0.1155]\n", + " PeriodicSite: Li (15.67, 2.479, 14.77) [0.7716, 0.122, 0.7271]\n", + " PeriodicSite: Li (9.696, 3.329, 3.814) [0.4773, 0.1639, 0.1878]\n", + " PeriodicSite: Li (8.334, 3.874, 14.47) [0.4103, 0.1907, 0.7122]\n", + " PeriodicSite: Li (7.061, 10.17, 2.991) [0.3476, 0.5008, 0.1472]\n", + " PeriodicSite: Li (3.325, 10.42, 13.89) [0.1637, 0.5131, 0.6837]\n", + " PeriodicSite: Li (16.87, 1.879, 5.364) [0.8308, 0.0925, 0.2641]\n", + " PeriodicSite: Li (13.03, 2.585, 10.03) [0.6415, 0.1273, 0.4939]\n", + " PeriodicSite: Li (19.12, 10.65, 1.88) [0.9411, 0.5242, 0.09258]\n", + " PeriodicSite: Li (16.88, 9.998, 13.49) [0.8312, 0.4922, 0.6643]\n", + " PeriodicSite: Li (7.655, 19.48, 5.215) [0.3768, 0.9588, 0.2567]\n", + " PeriodicSite: Li (5.463, 2.175, 13.92) [0.269, 0.1071, 0.6855]\n", + " PeriodicSite: Li (7.215, 13.13, 0.1193) [0.3552, 0.6463, 0.005874]\n", + " PeriodicSite: Li (10.0, 12.73, 12.38) [0.4924, 0.6266, 0.6096]\n", + " PeriodicSite: Li (15.56, 0.4602, 3.029) [0.7658, 0.02265, 0.1491]\n", + " PeriodicSite: Li (19.23, 2.152, 11.0) [0.947, 0.1059, 0.5413]\n", + " PeriodicSite: Li (17.66, 11.12, 4.567) [0.8692, 0.5474, 0.2248]\n", + " PeriodicSite: Li (17.11, 15.1, 12.05) [0.8424, 0.7436, 0.5935]\n", + " PeriodicSite: Li (8.621, 5.437, 6.575) [0.4244, 0.2677, 0.3237]\n", + " PeriodicSite: Li (9.48, 1.675, 12.57) [0.4667, 0.08245, 0.619]\n", + " PeriodicSite: Li (10.23, 12.93, 5.561) [0.5036, 0.6367, 0.2738]\n", + " PeriodicSite: Li (7.222, 14.88, 10.54) [0.3556, 0.7327, 0.5187]\n", + " PeriodicSite: Li (20.06, 2.523, 2.874) [0.9876, 0.1242, 0.1415]\n", + " PeriodicSite: Li (18.84, 4.73, 13.47) [0.9273, 0.2329, 0.6632]\n", + " PeriodicSite: Li (16.67, 14.99, 2.379) [0.8207, 0.7381, 0.1171]\n", + " PeriodicSite: Li (15.25, 12.49, 12.9) [0.751, 0.6147, 0.6352]\n", + " PeriodicSite: Li (3.476, 19.95, 3.317) [0.1711, 0.9821, 0.1633]\n", + " PeriodicSite: Li (6.602, 0.1978, 12.72) [0.325, 0.009738, 0.6262]\n", + " PeriodicSite: Li (5.396, 13.72, 1.922) [0.2657, 0.6756, 0.09462]\n", + " PeriodicSite: Li (7.225, 8.292, 15.52) [0.3557, 0.4082, 0.764]\n", + " PeriodicSite: Li (18.24, 4.931, 3.036) [0.8981, 0.2427, 0.1495]\n", + " PeriodicSite: Li (17.61, 0.2333, 13.74) [0.8667, 0.01148, 0.6764]\n", + " PeriodicSite: Li (17.36, 13.55, 20.29) [0.8548, 0.6671, 0.9988]\n", + " PeriodicSite: Li (19.38, 11.84, 11.71) [0.954, 0.5828, 0.5764]\n", + " PeriodicSite: Li (7.494, 4.229, 0.7429) [0.3689, 0.2082, 0.03658]\n", + " PeriodicSite: Li (5.189, 2.982, 11.09) [0.2555, 0.1468, 0.5459]\n", + " PeriodicSite: Li (9.724, 11.66, 1.95) [0.4787, 0.5741, 0.09599]\n", + " PeriodicSite: Li (8.004, 10.81, 10.85) [0.3941, 0.532, 0.5343]\n", + " PeriodicSite: Li (15.46, 3.574, 2.267) [0.761, 0.1759, 0.1116]\n", + " PeriodicSite: Li (15.57, 3.492, 12.04) [0.7667, 0.1719, 0.5928]\n", + " PeriodicSite: Li (1.038, 12.63, 19.57) [0.05109, 0.6219, 0.9634]\n", + " PeriodicSite: Li (18.97, 13.34, 14.46) [0.9341, 0.6567, 0.712]\n", + " PeriodicSite: Li (8.692, 0.05913, 2.017) [0.4279, 0.002907, 0.09931]\n", + " PeriodicSite: Li (8.003, 2.14, 10.24) [0.394, 0.1054, 0.504]\n", + " PeriodicSite: Li (6.703, 12.2, 4.849) [0.33, 0.6007, 0.2387]\n", + " PeriodicSite: Li (5.111, 13.29, 11.77) [0.2516, 0.6544, 0.5795]\n", + " PeriodicSite: Li (17.5, 3.333, 0.417) [0.8616, 0.1641, 0.02053]\n", + " PeriodicSite: Li (1.893, 6.803, 15.0) [0.09322, 0.3349, 0.7385]\n", + " PeriodicSite: Li (2.578, 14.82, 7.69) [0.1269, 0.7294, 0.3786]\n", + " PeriodicSite: Li (16.9, 13.35, 10.33) [0.832, 0.657, 0.5087]\n", + " PeriodicSite: Li (12.44, 7.43, 4.82) [0.6123, 0.3658, 0.2373]\n", + " PeriodicSite: Li (5.553, 7.876, 17.44) [0.2734, 0.3878, 0.8585]\n", + " PeriodicSite: Li (5.773, 15.74, 7.961) [0.2842, 0.7749, 0.3919]\n", + " PeriodicSite: Li (7.966, 15.95, 19.77) [0.3922, 0.7852, 0.9733]\n", + " PeriodicSite: Li (15.89, 8.875, 6.823) [0.7825, 0.4369, 0.3359]\n", + " PeriodicSite: Li (2.695, 4.739, 18.38) [0.1327, 0.2333, 0.9048]\n", + " PeriodicSite: Li (17.52, 18.95, 5.355) [0.8627, 0.933, 0.2636]\n", + " PeriodicSite: Li (20.07, 18.36, 18.49) [0.9882, 0.9039, 0.9102]\n", + " PeriodicSite: Li (6.51, 8.223, 5.173) [0.3205, 0.4048, 0.2547]\n", + " PeriodicSite: Li (7.554, 5.332, 17.67) [0.3719, 0.2625, 0.8701]\n", + " PeriodicSite: Li (8.776, 20.15, 7.971) [0.4321, 0.9921, 0.3924]\n", + " PeriodicSite: Li (7.507, 19.74, 15.64) [0.3696, 0.9716, 0.7701]\n", + " PeriodicSite: Li (18.13, 10.2, 8.026) [0.8923, 0.5022, 0.3951]\n", + " PeriodicSite: Li (19.16, 7.551, 15.8) [0.9435, 0.3717, 0.7778]\n", + " PeriodicSite: Li (18.47, 20.13, 8.498) [0.9094, 0.991, 0.4184]\n", + " PeriodicSite: Li (18.71, 15.5, 17.19) [0.9212, 0.7632, 0.8464]\n", + " PeriodicSite: Li (5.654, 6.015, 8.197) [0.2783, 0.2961, 0.4035]\n", + " PeriodicSite: Li (5.691, 6.786, 20.06) [0.2802, 0.3341, 0.9878]\n", + " PeriodicSite: Li (7.945, 17.74, 9.708) [0.3911, 0.8734, 0.4779]\n", + " PeriodicSite: Li (11.32, 13.8, 15.51) [0.5574, 0.6792, 0.7635]\n", + " PeriodicSite: Li (0.09445, 7.531, 7.521) [0.004648, 0.3708, 0.3703]\n", + " PeriodicSite: Li (19.36, 5.643, 18.1) [0.953, 0.2778, 0.8911]\n", + " PeriodicSite: Li (16.85, 17.15, 10.18) [0.8293, 0.8444, 0.5012]\n", + " PeriodicSite: Li (17.29, 17.48, 20.18) [0.8512, 0.8608, 0.9936]\n", + " PeriodicSite: Li (9.172, 8.112, 8.527) [0.4516, 0.3994, 0.4198]\n", + " PeriodicSite: Li (8.158, 8.249, 20.25) [0.4016, 0.4061, 0.9969]\n", + " PeriodicSite: Li (5.845, 19.26, 7.273) [0.2878, 0.9484, 0.358]\n", + " PeriodicSite: Li (8.207, 14.6, 2.734) [0.404, 0.7187, 0.1346]\n", + " PeriodicSite: Li (16.5, 6.498, 9.717) [0.8123, 0.3199, 0.4784]\n", + " PeriodicSite: Li (18.35, 9.946, 18.32) [0.9036, 0.4896, 0.9018]\n", + " PeriodicSite: Li (16.21, 19.67, 7.54) [0.7979, 0.9683, 0.3712]\n", + " PeriodicSite: Li (15.27, 18.53, 16.5) [0.7516, 0.9124, 0.8123]\n", + " PeriodicSite: Li (6.91, 4.857, 11.92) [0.3402, 0.2391, 0.5868]\n", + " PeriodicSite: Li (8.308, 10.1, 18.32) [0.409, 0.4974, 0.902]\n", + " PeriodicSite: Li (10.18, 17.48, 6.937) [0.501, 0.8607, 0.3415]\n", + " PeriodicSite: Li (10.74, 18.14, 1.468) [0.5289, 0.893, 0.07226]\n", + " PeriodicSite: Li (18.42, 7.436, 5.662) [0.907, 0.3661, 0.2788]\n", + " PeriodicSite: Li (15.01, 3.097, 18.54) [0.7391, 0.1525, 0.9125]\n", + " PeriodicSite: Li (19.64, 17.38, 7.124) [0.967, 0.8559, 0.3507]\n", + " PeriodicSite: Li (18.2, 0.7172, 0.919) [0.896, 0.0353, 0.04525]\n", + " PeriodicSite: Li (3.735, 10.3, 3.061) [0.1839, 0.507, 0.1507]\n", + " PeriodicSite: Li (10.04, 7.386, 17.11) [0.4945, 0.3636, 0.8422]\n", + " PeriodicSite: Li (8.089, 15.77, 5.709) [0.3982, 0.7764, 0.2811]\n", + " PeriodicSite: Li (8.51, 19.69, 18.56) [0.4189, 0.9692, 0.9138]\n", + " PeriodicSite: Li (18.09, 5.01, 7.266) [0.8905, 0.2466, 0.3577]\n", + " PeriodicSite: Li (15.84, 11.96, 15.71) [0.7799, 0.5889, 0.7732]\n", + " PeriodicSite: Li (18.2, 14.44, 4.284) [0.8961, 0.7111, 0.2109]\n", + " PeriodicSite: Li (13.06, 0.472, 13.86) [0.643, 0.02323, 0.6822]\n", + " PeriodicSite: Cl (7.42, 12.42, 12.41) [0.3653, 0.6113, 0.611]\n", + " PeriodicSite: Cl (2.691, 12.68, 17.89) [0.1325, 0.6245, 0.8807]\n", + " PeriodicSite: Cl (12.91, 17.95, 12.78) [0.6355, 0.8835, 0.6292]\n", + " PeriodicSite: Cl (17.82, 7.271, 18.05) [0.8774, 0.3579, 0.8888]\n", + " PeriodicSite: Cl (7.954, 2.525, 2.334) [0.3916, 0.1243, 0.1149]\n", + " PeriodicSite: Cl (7.3, 7.589, 7.285) [0.3594, 0.3736, 0.3586]\n", + " PeriodicSite: Cl (12.39, 12.52, 7.416) [0.61, 0.6166, 0.3651]\n", + " PeriodicSite: Cl (2.395, 7.971, 2.312) [0.1179, 0.3924, 0.1138]\n", + " PeriodicSite: Cl (2.575, 7.665, 12.86) [0.1268, 0.3774, 0.6332]\n", + " PeriodicSite: Cl (12.42, 13.14, 17.84) [0.6115, 0.6467, 0.8785]\n", + " PeriodicSite: Cl (17.39, 17.65, 17.8) [0.856, 0.8689, 0.8764]\n", + " PeriodicSite: Cl (2.663, 2.798, 7.581) [0.1311, 0.1377, 0.3732]\n", + " PeriodicSite: Cl (12.87, 3.099, 18.33) [0.6337, 0.1526, 0.9023]\n", + " PeriodicSite: Cl (12.65, 7.509, 2.489) [0.623, 0.3697, 0.1225]\n", + " PeriodicSite: Cl (17.5, 2.479, 12.89) [0.8616, 0.122, 0.6344]\n", + " PeriodicSite: Cl (7.453, 17.56, 17.48) [0.3669, 0.8644, 0.8606]\n", + " PeriodicSite: Cl (0.2788, 19.71, 0.1294) [0.01372, 0.9702, 0.006373]\n", + " PeriodicSite: Cl (0.259, 0.2133, 10.26) [0.01276, 0.0105, 0.5053]\n", + " PeriodicSite: Cl (19.96, 10.68, 19.79) [0.9824, 0.5259, 0.9743]\n", + " PeriodicSite: Cl (19.93, 10.11, 10.13) [0.9813, 0.4978, 0.4985]\n", + " PeriodicSite: Cl (10.14, 20.19, 0.209) [0.499, 0.9942, 0.01029]\n", + " PeriodicSite: Cl (9.937, 0.6697, 9.79) [0.4892, 0.03297, 0.482]\n", + " PeriodicSite: Cl (10.04, 10.31, 20.13) [0.4942, 0.5076, 0.9913]\n", + " PeriodicSite: Cl (10.04, 9.901, 10.25) [0.4945, 0.4874, 0.5048]\n", + " PeriodicSite: Cl (20.0, 5.496, 5.221) [0.9846, 0.2706, 0.257]\n", + " PeriodicSite: Cl (20.25, 5.395, 15.66) [0.997, 0.2656, 0.7709]\n", + " PeriodicSite: Cl (0.3988, 14.86, 4.892) [0.01963, 0.7316, 0.2409]\n", + " PeriodicSite: Cl (20.1, 15.38, 15.22) [0.9894, 0.7571, 0.7495]\n", + " PeriodicSite: Cl (10.38, 5.219, 5.039) [0.511, 0.257, 0.2481]\n", + " PeriodicSite: Cl (9.963, 5.641, 15.11) [0.4905, 0.2777, 0.7441]\n", + " PeriodicSite: Cl (10.37, 15.2, 4.757) [0.5106, 0.7484, 0.2342]\n", + " PeriodicSite: Cl (10.13, 15.92, 15.5) [0.4988, 0.7836, 0.7629]\n", + " PeriodicSite: S (5.189, 20.03, 5.143) [0.2554, 0.9861, 0.2532]\n", + " PeriodicSite: S (5.176, 0.001763, 15.06) [0.2548, 8.56e-05, 0.7412]\n", + " PeriodicSite: S (5.385, 10.04, 4.821) [0.2651, 0.4944, 0.2374]\n", + " PeriodicSite: S (5.192, 9.653, 15.21) [0.2556, 0.4752, 0.7488]\n", + " PeriodicSite: S (14.96, 0.3271, 5.261) [0.7367, 0.0161, 0.259]\n", + " PeriodicSite: S (15.14, 0.2474, 15.32) [0.7453, 0.01218, 0.7541]\n", + " PeriodicSite: S (15.07, 10.39, 4.99) [0.7421, 0.5115, 0.2457]\n", + " PeriodicSite: S (14.83, 10.12, 14.93) [0.7299, 0.498, 0.7349]\n", + " PeriodicSite: S (4.912, 4.797, 0.1876) [0.2418, 0.2362, 0.009236]\n", + " PeriodicSite: S (4.816, 4.989, 10.16) [0.2371, 0.2456, 0.5002]\n", + " PeriodicSite: S (5.584, 15.21, 0.02312) [0.2749, 0.7489, 0.001141]\n", + " PeriodicSite: S (4.976, 14.78, 10.07) [0.245, 0.7276, 0.4958]\n", + " PeriodicSite: S (15.42, 4.679, 0.1567) [0.759, 0.2303, 0.007719]\n", + " PeriodicSite: S (14.7, 5.144, 10.32) [0.7239, 0.2533, 0.5079]\n", + " PeriodicSite: S (15.38, 15.57, 0.2874) [0.7574, 0.7666, 0.01416]\n", + " PeriodicSite: S (15.23, 15.37, 10.63) [0.7499, 0.7565, 0.5232]\n", + " PeriodicSite: S (8.72, 4.136, 8.667) [0.4293, 0.2036, 0.4267]\n", + " PeriodicSite: S (9.088, 4.019, 19.08) [0.4474, 0.1979, 0.9392]\n", + " PeriodicSite: S (8.956, 14.09, 8.983) [0.4409, 0.6936, 0.4422]\n", + " PeriodicSite: S (9.346, 14.41, 19.15) [0.4601, 0.7092, 0.9428]\n", + " PeriodicSite: S (18.74, 3.964, 9.411) [0.9227, 0.1952, 0.4633]\n", + " PeriodicSite: S (19.21, 3.767, 19.53) [0.9456, 0.1854, 0.9617]\n", + " PeriodicSite: S (18.64, 14.28, 8.832) [0.9179, 0.7032, 0.4348]\n", + " PeriodicSite: S (19.34, 14.03, 19.12) [0.9521, 0.6909, 0.9412]\n", + " PeriodicSite: S (4.165, 0.9789, 1.493) [0.205, 0.04819, 0.07353]\n", + " PeriodicSite: S (3.941, 0.8182, 11.24) [0.194, 0.04028, 0.5532]\n", + " PeriodicSite: S (3.827, 11.32, 0.8383) [0.1884, 0.5572, 0.04127]\n", + " PeriodicSite: S (3.904, 11.31, 11.32) [0.1922, 0.5567, 0.5572]\n", + " PeriodicSite: S (14.33, 1.387, 1.225) [0.7055, 0.06827, 0.06033]\n", + " PeriodicSite: S (14.1, 1.481, 11.6) [0.6941, 0.07291, 0.5712]\n", + " PeriodicSite: S (13.86, 10.97, 1.138) [0.6824, 0.5401, 0.05605]\n", + " PeriodicSite: S (13.86, 11.52, 11.02) [0.6824, 0.567, 0.5426]\n", + " PeriodicSite: S (6.155, 0.9649, 8.867) [0.303, 0.0475, 0.4365]\n", + " PeriodicSite: S (6.514, 0.7362, 19.15) [0.3207, 0.03624, 0.943]\n", + " PeriodicSite: S (6.07, 10.84, 8.849) [0.2988, 0.5339, 0.4357]\n", + " PeriodicSite: S (6.237, 11.25, 18.81) [0.307, 0.554, 0.9258]\n", + " PeriodicSite: S (16.54, 1.317, 9.231) [0.8145, 0.06485, 0.4544]\n", + " PeriodicSite: S (16.62, 1.212, 19.03) [0.8184, 0.05965, 0.9368]\n", + " PeriodicSite: S (16.25, 11.42, 8.778) [0.8002, 0.5623, 0.4322]\n", + " PeriodicSite: S (16.54, 11.17, 19.3) [0.8144, 0.5501, 0.9502]\n", + " PeriodicSite: S (1.497, 4.106, 1.375) [0.07371, 0.2022, 0.06768]\n", + " PeriodicSite: S (0.3882, 3.908, 12.09) [0.01911, 0.1924, 0.5951]\n", + " PeriodicSite: S (1.293, 13.95, 1.226) [0.06367, 0.6869, 0.06038]\n", + " PeriodicSite: S (0.716, 13.91, 11.13) [0.03525, 0.6849, 0.5481]\n", + " PeriodicSite: S (11.12, 4.366, 1.39) [0.5474, 0.215, 0.06844]\n", + " PeriodicSite: S (10.89, 3.736, 11.16) [0.5363, 0.1839, 0.5493]\n", + " PeriodicSite: S (11.76, 13.73, 1.158) [0.5788, 0.6757, 0.05703]\n", + " PeriodicSite: S (11.59, 13.9, 10.95) [0.5705, 0.6845, 0.5393]\n", + " PeriodicSite: S (2.8, 2.326, 17.98) [0.1379, 0.1145, 0.8849]\n", + " PeriodicSite: S (2.376, 12.59, 7.714) [0.117, 0.62, 0.3797]\n", + " PeriodicSite: S (12.69, 2.728, 7.649) [0.6247, 0.1343, 0.3766]\n", + " PeriodicSite: S (8.726, 8.702, 3.888) [0.4296, 0.4284, 0.1914]\n", + " PeriodicSite: S (8.944, 9.227, 13.69) [0.4403, 0.4543, 0.6738]\n", + " PeriodicSite: S (9.519, 18.93, 4.031) [0.4686, 0.9321, 0.1984]\n", + " PeriodicSite: S (9.253, 19.6, 13.88) [0.4555, 0.9651, 0.6835]\n", + " PeriodicSite: S (19.39, 9.255, 3.796) [0.9546, 0.4556, 0.1869]\n", + " PeriodicSite: S (18.87, 8.891, 13.74) [0.9289, 0.4377, 0.6765]\n", + " PeriodicSite: S (19.09, 19.81, 3.751) [0.9397, 0.9754, 0.1847]\n", + " PeriodicSite: S (19.15, 18.94, 14.45) [0.943, 0.9324, 0.7115]\n", + " PeriodicSite: S (3.598, 6.362, 6.208) [0.1771, 0.3132, 0.3056]\n", + " PeriodicSite: S (4.019, 5.959, 16.72) [0.1979, 0.2934, 0.823]\n", + " PeriodicSite: S (3.866, 15.95, 5.865) [0.1903, 0.7852, 0.2887]\n", + " PeriodicSite: S (3.405, 15.89, 16.42) [0.1676, 0.7825, 0.8083]\n", + " PeriodicSite: S (14.12, 6.435, 6.361) [0.6954, 0.3168, 0.3131]\n", + " PeriodicSite: S (13.67, 6.354, 16.34) [0.6729, 0.3128, 0.8042]\n", + " PeriodicSite: S (14.08, 16.47, 6.504) [0.6932, 0.8111, 0.3202]\n", + " PeriodicSite: S (13.89, 16.59, 16.51) [0.6839, 0.8169, 0.813]\n", + " PeriodicSite: S (5.832, 6.212, 3.685) [0.2871, 0.3058, 0.1814]\n", + " PeriodicSite: S (6.281, 6.133, 14.03) [0.3092, 0.3019, 0.6909]\n", + " PeriodicSite: S (6.391, 15.94, 3.583) [0.3146, 0.7849, 0.1764]\n", + " PeriodicSite: S (5.741, 16.16, 13.83) [0.2826, 0.7957, 0.6808]\n", + " PeriodicSite: S (16.65, 6.355, 4.166) [0.8198, 0.3129, 0.2051]\n", + " PeriodicSite: S (16.16, 6.615, 14.18) [0.7955, 0.3257, 0.6981]\n", + " PeriodicSite: S (16.26, 16.79, 4.195) [0.8003, 0.8268, 0.2066]\n", + " PeriodicSite: S (16.29, 16.69, 14.32) [0.8021, 0.8218, 0.7051]\n", + " PeriodicSite: S (1.453, 9.056, 6.409) [0.07155, 0.4458, 0.3155]\n", + " PeriodicSite: S (0.9536, 8.949, 16.02) [0.04695, 0.4406, 0.7885]\n", + " PeriodicSite: S (0.9943, 18.69, 6.132) [0.04894, 0.9202, 0.3019]\n", + " PeriodicSite: S (1.29, 18.95, 16.72) [0.06349, 0.9327, 0.8232]\n", + " PeriodicSite: S (11.12, 9.039, 6.368) [0.5475, 0.445, 0.3135]\n", + " PeriodicSite: S (11.57, 9.068, 16.04) [0.5697, 0.4464, 0.7896]\n", + " PeriodicSite: S (11.72, 19.66, 6.376) [0.5767, 0.968, 0.3139]\n", + " PeriodicSite: S (11.6, 19.24, 16.07) [0.5711, 0.947, 0.791]\n", + " PeriodicSite: S (3.089, 17.57, 2.545) [0.1521, 0.865, 0.1253]\n", + " PeriodicSite: S (2.402, 17.6, 12.85) [0.1183, 0.8663, 0.6327]\n", + " PeriodicSite: S (12.56, 7.587, 12.63) [0.6181, 0.3735, 0.6218]\n", + " PeriodicSite: S (13.02, 17.98, 2.324) [0.6411, 0.8851, 0.1144]\n", + " PeriodicSite: S (3.81, 3.506, 4.223) [0.1876, 0.1726, 0.2079]\n", + " PeriodicSite: S (3.67, 3.796, 14.17) [0.1807, 0.1869, 0.6977]\n", + " PeriodicSite: S (4.447, 13.27, 4.055) [0.2189, 0.6533, 0.1996]\n", + " PeriodicSite: S (3.756, 13.52, 14.01) [0.1849, 0.6658, 0.6895]\n", + " PeriodicSite: S (13.69, 4.357, 3.918) [0.674, 0.2145, 0.1929]\n", + " PeriodicSite: S (13.95, 3.965, 13.92) [0.6866, 0.1952, 0.6853]\n", + " PeriodicSite: S (14.04, 14.31, 3.821) [0.6911, 0.7046, 0.1881]\n", + " PeriodicSite: S (13.92, 14.29, 14.1) [0.6853, 0.7038, 0.6943]\n", + " PeriodicSite: S (8.947, 1.424, 5.807) [0.4405, 0.07012, 0.2859]\n", + " PeriodicSite: S (8.889, 0.9898, 16.92) [0.4376, 0.04872, 0.8329]\n", + " PeriodicSite: S (8.587, 11.05, 6.064) [0.4227, 0.5442, 0.2985]\n", + " PeriodicSite: S (8.754, 11.19, 16.33) [0.431, 0.5511, 0.8041]\n", + " PeriodicSite: S (19.4, 1.344, 6.594) [0.9549, 0.06616, 0.3246]\n", + " PeriodicSite: S (19.32, 1.038, 17.12) [0.9511, 0.05109, 0.8427]\n", + " PeriodicSite: S (19.22, 11.44, 6.33) [0.9464, 0.563, 0.3116]\n", + " PeriodicSite: S (18.61, 11.19, 16.31) [0.916, 0.5507, 0.8032]\n", + " PeriodicSite: S (1.54, 1.335, 4.409) [0.07583, 0.06574, 0.2171]\n", + " PeriodicSite: S (0.882, 1.176, 14.37) [0.04343, 0.0579, 0.7073]\n", + " PeriodicSite: S (1.494, 11.41, 4.15) [0.07354, 0.5618, 0.2043]\n", + " PeriodicSite: S (0.5248, 11.62, 14.21) [0.02584, 0.5719, 0.6996]\n", + " PeriodicSite: S (11.43, 1.453, 3.683) [0.5629, 0.07153, 0.1813]\n", + " PeriodicSite: S (11.12, 1.909, 14.63) [0.5477, 0.09398, 0.7201]\n", + " PeriodicSite: S (10.96, 11.22, 3.798) [0.5397, 0.5524, 0.187]\n", + " PeriodicSite: S (11.23, 11.75, 14.19) [0.553, 0.5783, 0.6987]\n", + " PeriodicSite: S (6.242, 4.236, 6.304) [0.3073, 0.2086, 0.3103]\n", + " PeriodicSite: S (6.205, 3.46, 16.01) [0.3055, 0.1703, 0.7884]\n", + " PeriodicSite: S (6.427, 14.12, 6.544) [0.3164, 0.6954, 0.3222]\n", + " PeriodicSite: S (6.26, 14.12, 16.24) [0.3082, 0.695, 0.7995]\n", + " PeriodicSite: S (16.32, 3.842, 6.308) [0.8034, 0.1892, 0.3105]\n", + " PeriodicSite: S (16.1, 4.14, 16.46) [0.7926, 0.2038, 0.8105]\n", + " PeriodicSite: S (16.62, 14.25, 6.219) [0.8182, 0.7017, 0.3062]\n", + " PeriodicSite: S (16.3, 14.23, 16.49) [0.8024, 0.7004, 0.812]\n", + " PeriodicSite: S (7.261, 2.647, 12.39) [0.3575, 0.1303, 0.6101]\n", + " PeriodicSite: S (7.603, 12.57, 2.349) [0.3743, 0.619, 0.1157]\n", + " PeriodicSite: S (17.81, 2.686, 2.792) [0.8768, 0.1322, 0.1375]\n", + " PeriodicSite: S (17.61, 12.92, 2.761) [0.8669, 0.6359, 0.1359]\n", + " PeriodicSite: S (17.49, 12.43, 12.7) [0.8609, 0.612, 0.6254]\n", + " PeriodicSite: S (3.618, 8.821, 8.889) [0.1781, 0.4343, 0.4376]\n", + " PeriodicSite: S (3.933, 8.68, 19.02) [0.1936, 0.4273, 0.9365]\n", + " PeriodicSite: S (3.933, 18.8, 8.579) [0.1936, 0.9257, 0.4224]\n", + " PeriodicSite: S (4.173, 18.81, 19.34) [0.2055, 0.9259, 0.9523]\n", + " PeriodicSite: S (14.2, 9.166, 8.655) [0.6991, 0.4513, 0.4261]\n", + " PeriodicSite: S (14.07, 9.189, 18.53) [0.6929, 0.4524, 0.9125]\n", + " PeriodicSite: S (14.17, 19.33, 8.971) [0.6978, 0.9514, 0.4417]\n", + " PeriodicSite: S (13.73, 19.49, 18.93) [0.6757, 0.9596, 0.9319]\n", + " PeriodicSite: S (8.371, 6.253, 1.078) [0.4121, 0.3079, 0.05305]\n", + " PeriodicSite: S (8.717, 6.224, 11.13) [0.4291, 0.3064, 0.548]\n", + " PeriodicSite: S (9.433, 16.23, 1.638) [0.4644, 0.7988, 0.08066]\n", + " PeriodicSite: S (9.298, 16.24, 11.51) [0.4577, 0.7993, 0.5666]\n", + " PeriodicSite: S (19.4, 6.407, 1.415) [0.9549, 0.3154, 0.06969]\n", + " PeriodicSite: S (18.58, 6.528, 11.8) [0.9146, 0.3214, 0.5809]\n", + " PeriodicSite: S (18.86, 16.12, 1.296) [0.9284, 0.7934, 0.06382]\n", + " PeriodicSite: S (18.83, 16.41, 11.36) [0.9272, 0.808, 0.5594]\n", + " PeriodicSite: S (0.9543, 6.391, 9.671) [0.04698, 0.3147, 0.4761]\n", + " PeriodicSite: S (1.047, 6.2, 19.05) [0.05155, 0.3052, 0.938]\n", + " PeriodicSite: S (0.9385, 16.68, 9.129) [0.0462, 0.821, 0.4494]\n", + " PeriodicSite: S (0.9338, 16.52, 19.33) [0.04597, 0.8133, 0.9515]\n", + " PeriodicSite: S (11.19, 6.342, 8.916) [0.5507, 0.3122, 0.439]\n", + " PeriodicSite: S (11.11, 6.812, 19.45) [0.547, 0.3353, 0.9577]\n", + " PeriodicSite: S (11.51, 16.15, 8.626) [0.5664, 0.795, 0.4247]\n", + " PeriodicSite: S (11.81, 16.46, 19.66) [0.5814, 0.8104, 0.9677]\n", + " PeriodicSite: S (5.999, 8.979, 1.23) [0.2954, 0.442, 0.06053]\n", + " PeriodicSite: S (6.203, 8.619, 11.42) [0.3054, 0.4243, 0.5623]\n", + " PeriodicSite: S (6.508, 19.09, 1.536) [0.3204, 0.9398, 0.07565]\n", + " PeriodicSite: S (6.124, 18.71, 11.13) [0.3015, 0.921, 0.5478]\n", + " PeriodicSite: S (15.84, 8.47, 1.056) [0.7797, 0.417, 0.05199]\n", + " PeriodicSite: S (16.26, 9.035, 11.11) [0.8005, 0.4448, 0.5471]\n", + " PeriodicSite: S (16.3, 19.17, 0.95) [0.8026, 0.9438, 0.04678]\n", + " PeriodicSite: S (16.43, 19.28, 11.6) [0.8086, 0.9492, 0.5711]\n", + " PeriodicSite: S (7.698, 7.774, 17.91) [0.379, 0.3827, 0.8818]\n", + " PeriodicSite: S (7.89, 17.73, 7.215) [0.3884, 0.8727, 0.3552]\n", + " PeriodicSite: S (17.94, 7.494, 8.018) [0.8833, 0.3689, 0.3947]\n", + " PeriodicSite: S (17.53, 18.04, 7.797) [0.8631, 0.8883, 0.3839]\n", + " PeriodicSite: P (5.336, 20.1, 0.2179) [0.2627, 0.9894, 0.01073]\n", + " PeriodicSite: P (4.913, 20.07, 9.909) [0.2419, 0.9879, 0.4879]\n", + " PeriodicSite: P (5.015, 10.12, 20.08) [0.2469, 0.4982, 0.9884]\n", + " PeriodicSite: P (4.918, 9.896, 10.18) [0.2421, 0.4872, 0.5013]\n", + " PeriodicSite: P (15.13, 0.1105, 20.06) [0.7447, 0.005435, 0.9876]\n", + " PeriodicSite: P (15.25, 0.128, 10.37) [0.7509, 0.006295, 0.5106]\n", + " PeriodicSite: P (15.15, 9.995, 20.15) [0.7457, 0.4921, 0.9918]\n", + " PeriodicSite: P (15.1, 10.3, 9.919) [0.7436, 0.507, 0.4883]\n", + " PeriodicSite: P (4.834, 5.094, 5.126) [0.238, 0.2508, 0.2524]\n", + " PeriodicSite: P (5.033, 4.906, 15.18) [0.2478, 0.2415, 0.7475]\n", + " PeriodicSite: P (5.339, 14.82, 4.97) [0.2629, 0.7297, 0.2447]\n", + " PeriodicSite: P (4.701, 14.92, 15.1) [0.2314, 0.7343, 0.7434]\n", + " PeriodicSite: P (15.11, 5.253, 5.081) [0.7437, 0.2586, 0.2501]\n", + " PeriodicSite: P (15.0, 5.186, 15.16) [0.7385, 0.2553, 0.7462]\n", + " PeriodicSite: P (15.13, 15.35, 5.187) [0.7449, 0.7555, 0.2554]\n", + " PeriodicSite: P (15.04, 15.43, 15.31) [0.7404, 0.7597, 0.7537]\n", + " PeriodicSite: P (0.0918, 0.153, 5.235) [0.004521, 0.007531, 0.2577]\n", + " PeriodicSite: P (0.02904, 20.15, 15.66) [0.001424, 0.9919, 0.7709]\n", + " PeriodicSite: P (0.2239, 10.32, 5.169) [0.01102, 0.5082, 0.2545]\n", + " PeriodicSite: P (19.9, 10.12, 15.1) [0.9795, 0.4981, 0.7433]\n", + " PeriodicSite: P (10.45, 0.2878, 5.027) [0.5145, 0.01416, 0.2475]\n", + " PeriodicSite: P (10.23, 0.2594, 15.5) [0.5036, 0.01277, 0.763]\n", + " PeriodicSite: P (9.913, 10.02, 4.973) [0.488, 0.4933, 0.2448]\n", + " PeriodicSite: P (10.08, 10.37, 15.13) [0.4964, 0.5106, 0.7447]\n", + " PeriodicSite: P (0.1343, 5.122, 0.1906) [0.006608, 0.2521, 0.009382]\n", + " PeriodicSite: P (19.84, 5.191, 10.66) [0.9769, 0.2555, 0.5248]\n", + " PeriodicSite: P (20.26, 15.25, 0.1944) [0.9974, 0.7509, 0.009575]\n", + " PeriodicSite: P (19.97, 15.31, 10.04) [0.9833, 0.7537, 0.4945]\n", + " PeriodicSite: P (9.966, 5.439, 0.08929) [0.4906, 0.2678, 0.004399]\n", + " PeriodicSite: P (9.948, 5.115, 9.972) [0.4898, 0.2518, 0.4909]\n", + " PeriodicSite: P (10.58, 15.2, 0.3504) [0.521, 0.7482, 0.01726]\n", + " PeriodicSite: P (10.19, 15.19, 10.05) [0.5019, 0.748, 0.4948],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.891, 3.02, 5.528) [0.09307, 0.1487, 0.2721]\n", + " PeriodicSite: Li (0.6217, 2.765, 16.15) [0.03061, 0.1361, 0.7949]\n", + " PeriodicSite: Li (2.765, 13.15, 9.836) [0.1361, 0.6473, 0.4843]\n", + " PeriodicSite: Li (2.01, 13.47, 15.72) [0.09897, 0.6633, 0.774]\n", + " PeriodicSite: Li (15.17, 1.5, 7.229) [0.747, 0.07385, 0.3559]\n", + " PeriodicSite: Li (11.83, 3.927, 16.96) [0.5826, 0.1933, 0.8347]\n", + " PeriodicSite: Li (15.44, 12.36, 3.296) [0.7599, 0.6084, 0.1623]\n", + " PeriodicSite: Li (15.81, 9.002, 16.63) [0.7783, 0.4432, 0.8187]\n", + " PeriodicSite: Li (2.675, 5.058, 8.446) [0.1317, 0.249, 0.4158]\n", + " PeriodicSite: Li (4.326, 0.3347, 17.6) [0.213, 0.01648, 0.8662]\n", + " PeriodicSite: Li (5.763, 9.284, 6.865) [0.2837, 0.4571, 0.338]\n", + " PeriodicSite: Li (5.849, 10.64, 12.96) [0.2879, 0.5238, 0.6381]\n", + " PeriodicSite: Li (11.84, 4.824, 6.894) [0.5829, 0.2375, 0.3394]\n", + " PeriodicSite: Li (14.2, 6.817, 19.15) [0.699, 0.3356, 0.943]\n", + " PeriodicSite: Li (10.65, 8.565, 11.81) [0.5241, 0.4217, 0.5814]\n", + " PeriodicSite: Li (11.3, 17.07, 16.87) [0.5561, 0.8406, 0.8304]\n", + " PeriodicSite: Li (3.016, 0.03669, 6.601) [0.1485, 0.001805, 0.3249]\n", + " PeriodicSite: Li (3.558, 1.641, 15.66) [0.1752, 0.08081, 0.7712]\n", + " PeriodicSite: Li (3.297, 11.14, 5.92) [0.1623, 0.5485, 0.2915]\n", + " PeriodicSite: Li (6.441, 11.8, 16.12) [0.3171, 0.5809, 0.7935]\n", + " PeriodicSite: Li (12.02, 1.002, 9.063) [0.5919, 0.04934, 0.4462]\n", + " PeriodicSite: Li (10.62, 2.317, 19.93) [0.5229, 0.114, 0.981]\n", + " PeriodicSite: Li (13.42, 13.71, 9.927) [0.6608, 0.6748, 0.4887]\n", + " PeriodicSite: Li (10.6, 12.15, 18.79) [0.522, 0.5981, 0.9252]\n", + " PeriodicSite: Li (0.2134, 1.965, 8.697) [0.01051, 0.09673, 0.4282]\n", + " PeriodicSite: Li (2.772, 3.057, 20.04) [0.1365, 0.1505, 0.9865]\n", + " PeriodicSite: Li (0.1201, 13.48, 7.246) [0.005908, 0.6639, 0.3567]\n", + " PeriodicSite: Li (4.613, 13.07, 18.88) [0.2271, 0.6436, 0.9294]\n", + " PeriodicSite: Li (13.71, 2.301, 5.17) [0.6749, 0.1133, 0.2545]\n", + " PeriodicSite: Li (13.64, 0.6313, 17.22) [0.6715, 0.03107, 0.8476]\n", + " PeriodicSite: Li (11.38, 10.99, 8.081) [0.5604, 0.5411, 0.3979]\n", + " PeriodicSite: Li (15.37, 15.76, 18.18) [0.7565, 0.7759, 0.895]\n", + " PeriodicSite: Li (5.203, 1.79, 6.192) [0.2561, 0.08814, 0.3048]\n", + " PeriodicSite: Li (1.69, 0.26, 18.39) [0.08318, 0.0128, 0.9056]\n", + " PeriodicSite: Li (5.071, 13.44, 7.77) [0.2497, 0.6614, 0.3825]\n", + " PeriodicSite: Li (1.134, 17.35, 15.09) [0.05584, 0.8544, 0.743]\n", + " PeriodicSite: Li (15.07, 4.6, 8.157) [0.7417, 0.2265, 0.4016]\n", + " PeriodicSite: Li (13.49, 4.105, 0.5117) [0.6641, 0.2021, 0.02519]\n", + " PeriodicSite: Li (15.91, 16.13, 8.069) [0.7834, 0.7941, 0.3972]\n", + " PeriodicSite: Li (13.29, 14.21, 20.06) [0.6541, 0.6995, 0.9875]\n", + " PeriodicSite: Li (5.838, 0.5946, 3.079) [0.2874, 0.02927, 0.1516]\n", + " PeriodicSite: Li (4.877, 2.778, 18.42) [0.2401, 0.1368, 0.9071]\n", + " PeriodicSite: Li (2.421, 14.17, 5.489) [0.1192, 0.6976, 0.2702]\n", + " PeriodicSite: Li (20.1, 12.43, 2.252) [0.9895, 0.612, 0.1109]\n", + " PeriodicSite: Li (10.37, 2.484, 7.821) [0.5108, 0.1223, 0.385]\n", + " PeriodicSite: Li (16.55, 1.412, 17.02) [0.8147, 0.0695, 0.8379]\n", + " PeriodicSite: Li (15.35, 11.94, 6.711) [0.7558, 0.5876, 0.3304]\n", + " PeriodicSite: Li (13.07, 11.13, 16.15) [0.6437, 0.5477, 0.7949]\n", + " PeriodicSite: Li (3.423, 10.28, 16.98) [0.1685, 0.5061, 0.8359]\n", + " PeriodicSite: Li (2.148, 10.65, 8.277) [0.1057, 0.5241, 0.4075]\n", + " PeriodicSite: Li (4.982, 16.58, 18.08) [0.2453, 0.8161, 0.8899]\n", + " PeriodicSite: Li (1.753, 18.81, 10.36) [0.08632, 0.9262, 0.51]\n", + " PeriodicSite: Li (14.25, 6.262, 2.489) [0.7016, 0.3083, 0.1225]\n", + " PeriodicSite: Li (14.39, 7.994, 14.42) [0.7083, 0.3936, 0.7101]\n", + " PeriodicSite: Li (12.12, 15.15, 7.152) [0.5967, 0.746, 0.3521]\n", + " PeriodicSite: Li (14.98, 18.31, 13.63) [0.7376, 0.9012, 0.671]\n", + " PeriodicSite: Li (2.873, 6.274, 0.4458) [0.1414, 0.3089, 0.02195]\n", + " PeriodicSite: Li (2.869, 4.797, 12.06) [0.1412, 0.2362, 0.5937]\n", + " PeriodicSite: Li (5.385, 16.46, 1.904) [0.2651, 0.8102, 0.09372]\n", + " PeriodicSite: Li (3.936, 17.75, 14.62) [0.1938, 0.874, 0.7199]\n", + " PeriodicSite: Li (16.99, 6.632, 0.02774) [0.8366, 0.3265, 0.001371]\n", + " PeriodicSite: Li (12.88, 5.117, 12.19) [0.6339, 0.2519, 0.6]\n", + " PeriodicSite: Li (13.75, 18.98, 4.808) [0.6768, 0.9345, 0.2367]\n", + " PeriodicSite: Li (10.79, 17.93, 13.99) [0.5313, 0.8828, 0.6886]\n", + " PeriodicSite: Li (1.974, 9.414, 0.7203) [0.09716, 0.4635, 0.03546]\n", + " PeriodicSite: Li (4.048, 7.148, 10.63) [0.1993, 0.3519, 0.5234]\n", + " PeriodicSite: Li (2.952, 15.64, 0.7029) [0.1453, 0.7698, 0.03461]\n", + " PeriodicSite: Li (4.138, 16.62, 12.04) [0.2037, 0.8184, 0.5926]\n", + " PeriodicSite: Li (12.01, 8.86, 0.1216) [0.5914, 0.4362, 0.005991]\n", + " PeriodicSite: Li (11.14, 7.234, 14.7) [0.5484, 0.3561, 0.7238]\n", + " PeriodicSite: Li (12.16, 16.01, 3.561) [0.5987, 0.7882, 0.1753]\n", + " PeriodicSite: Li (14.01, 15.8, 12.52) [0.6895, 0.778, 0.6166]\n", + " PeriodicSite: Li (0.6234, 7.358, 3.519) [0.03069, 0.3622, 0.1732]\n", + " PeriodicSite: Li (18.67, 7.89, 9.753) [0.9194, 0.3884, 0.4802]\n", + " PeriodicSite: Li (1.581, 16.99, 4.593) [0.07782, 0.8364, 0.2261]\n", + " PeriodicSite: Li (20.17, 18.29, 12.54) [0.993, 0.9007, 0.6176]\n", + " PeriodicSite: Li (10.49, 6.133, 2.888) [0.5166, 0.3019, 0.1422]\n", + " PeriodicSite: Li (13.24, 10.14, 12.85) [0.6517, 0.4994, 0.6324]\n", + " PeriodicSite: Li (13.29, 18.03, 0.3231) [0.6543, 0.8876, 0.01591]\n", + " PeriodicSite: Li (7.797, 16.26, 16.12) [0.3838, 0.8003, 0.7938]\n", + " PeriodicSite: Li (3.834, 7.725, 4.576) [0.1887, 0.3803, 0.2253]\n", + " PeriodicSite: Li (0.1838, 7.831, 12.04) [0.009046, 0.3855, 0.593]\n", + " PeriodicSite: Li (1.599, 18.2, 0.8082) [0.07872, 0.8958, 0.03979]\n", + " PeriodicSite: Li (3.088, 19.85, 13.29) [0.152, 0.9775, 0.6543]\n", + " PeriodicSite: Li (14.74, 9.471, 2.988) [0.7256, 0.4663, 0.1471]\n", + " PeriodicSite: Li (13.01, 7.246, 10.2) [0.6406, 0.3567, 0.5023]\n", + " PeriodicSite: Li (12.26, 0.01852, 1.982) [0.6034, 0.0009062, 0.0976]\n", + " PeriodicSite: Li (13.91, 17.43, 10.24) [0.6849, 0.8583, 0.5042]\n", + " PeriodicSite: Li (5.198, 3.778, 1.966) [0.2559, 0.186, 0.09677]\n", + " PeriodicSite: Li (4.958, 7.615, 14.04) [0.2441, 0.3749, 0.6914]\n", + " PeriodicSite: Li (4.275, 17.93, 4.31) [0.2105, 0.8828, 0.2122]\n", + " PeriodicSite: Li (0.7424, 15.72, 13.07) [0.03655, 0.7738, 0.6432]\n", + " PeriodicSite: Li (13.07, 10.38, 5.752) [0.6436, 0.5108, 0.2832]\n", + " PeriodicSite: Li (14.97, 6.89, 12.15) [0.7372, 0.3392, 0.5981]\n", + " PeriodicSite: Li (14.96, 17.07, 2.022) [0.7366, 0.8402, 0.09956]\n", + " PeriodicSite: Li (15.57, 2.417, 14.84) [0.7666, 0.119, 0.7306]\n", + " PeriodicSite: Li (9.245, 3.016, 3.923) [0.4551, 0.1485, 0.1931]\n", + " PeriodicSite: Li (7.739, 3.566, 13.99) [0.381, 0.1755, 0.6889]\n", + " PeriodicSite: Li (6.859, 10.22, 2.77) [0.3377, 0.5032, 0.1364]\n", + " PeriodicSite: Li (3.089, 10.2, 13.66) [0.1521, 0.5021, 0.6724]\n", + " PeriodicSite: Li (17.63, 0.8741, 4.781) [0.8681, 0.04302, 0.2354]\n", + " PeriodicSite: Li (12.62, 3.877, 9.679) [0.6213, 0.1908, 0.4765]\n", + " PeriodicSite: Li (17.56, 10.31, 1.397) [0.8647, 0.5074, 0.06876]\n", + " PeriodicSite: Li (17.12, 10.22, 12.85) [0.8427, 0.5031, 0.6326]\n", + " PeriodicSite: Li (7.341, 18.69, 4.931) [0.3614, 0.9199, 0.2427]\n", + " PeriodicSite: Li (5.225, 1.737, 13.87) [0.2572, 0.08553, 0.6828]\n", + " PeriodicSite: Li (7.49, 12.9, 0.2534) [0.3687, 0.6351, 0.01248]\n", + " PeriodicSite: Li (9.843, 12.58, 12.17) [0.4846, 0.6194, 0.5994]\n", + " PeriodicSite: Li (15.75, 0.4655, 3.061) [0.7753, 0.02291, 0.1507]\n", + " PeriodicSite: Li (19.44, 2.041, 11.24) [0.957, 0.1005, 0.5533]\n", + " PeriodicSite: Li (17.62, 11.16, 4.397) [0.8673, 0.5492, 0.2165]\n", + " PeriodicSite: Li (16.73, 14.81, 12.73) [0.8237, 0.7293, 0.6265]\n", + " PeriodicSite: Li (8.478, 5.338, 6.715) [0.4174, 0.2628, 0.3306]\n", + " PeriodicSite: Li (9.315, 1.46, 12.61) [0.4586, 0.07186, 0.6206]\n", + " PeriodicSite: Li (10.92, 13.01, 5.43) [0.5377, 0.6404, 0.2673]\n", + " PeriodicSite: Li (7.121, 14.19, 10.61) [0.3506, 0.6988, 0.5226]\n", + " PeriodicSite: Li (20.09, 2.39, 2.733) [0.9891, 0.1176, 0.1346]\n", + " PeriodicSite: Li (18.49, 4.505, 13.14) [0.9105, 0.2218, 0.647]\n", + " PeriodicSite: Li (17.02, 14.82, 1.889) [0.8381, 0.7294, 0.09302]\n", + " PeriodicSite: Li (15.1, 12.03, 13.06) [0.7432, 0.5923, 0.643]\n", + " PeriodicSite: Li (3.038, 20.06, 2.978) [0.1496, 0.9878, 0.1466]\n", + " PeriodicSite: Li (6.755, 20.21, 12.89) [0.3326, 0.9947, 0.6346]\n", + " PeriodicSite: Li (5.206, 13.11, 1.832) [0.2563, 0.6454, 0.09018]\n", + " PeriodicSite: Li (7.609, 8.454, 15.43) [0.3746, 0.4162, 0.7595]\n", + " PeriodicSite: Li (18.24, 4.642, 3.046) [0.898, 0.2285, 0.15]\n", + " PeriodicSite: Li (17.25, 0.148, 13.67) [0.8491, 0.00728, 0.6729]\n", + " PeriodicSite: Li (16.94, 13.46, 20.0) [0.8339, 0.6626, 0.9845]\n", + " PeriodicSite: Li (19.39, 11.74, 11.65) [0.9544, 0.5782, 0.5737]\n", + " PeriodicSite: Li (7.288, 2.934, 20.16) [0.3588, 0.1445, 0.9926]\n", + " PeriodicSite: Li (5.14, 2.696, 10.48) [0.253, 0.1327, 0.5159]\n", + " PeriodicSite: Li (10.06, 12.24, 2.192) [0.4951, 0.6024, 0.1079]\n", + " PeriodicSite: Li (7.859, 10.53, 10.74) [0.3869, 0.5182, 0.5289]\n", + " PeriodicSite: Li (15.62, 3.183, 2.448) [0.7692, 0.1567, 0.1205]\n", + " PeriodicSite: Li (15.61, 3.34, 11.64) [0.7687, 0.1644, 0.5729]\n", + " PeriodicSite: Li (0.9884, 12.48, 19.74) [0.04866, 0.6146, 0.9719]\n", + " PeriodicSite: Li (19.08, 12.75, 14.32) [0.9395, 0.6276, 0.7051]\n", + " PeriodicSite: Li (8.762, 0.2135, 2.164) [0.4314, 0.0105, 0.1066]\n", + " PeriodicSite: Li (7.985, 1.994, 10.11) [0.3931, 0.09818, 0.4977]\n", + " PeriodicSite: Li (6.555, 11.81, 4.598) [0.3227, 0.5816, 0.2264]\n", + " PeriodicSite: Li (4.487, 13.45, 11.82) [0.2209, 0.662, 0.5818]\n", + " PeriodicSite: Li (17.62, 3.792, 0.4354) [0.8676, 0.1867, 0.02144]\n", + " PeriodicSite: Li (1.887, 6.913, 14.95) [0.0929, 0.3403, 0.7362]\n", + " PeriodicSite: Li (3.195, 15.62, 8.585) [0.1573, 0.769, 0.4226]\n", + " PeriodicSite: Li (16.92, 13.75, 10.31) [0.8328, 0.6769, 0.5074]\n", + " PeriodicSite: Li (11.92, 7.148, 5.202) [0.5866, 0.3519, 0.2561]\n", + " PeriodicSite: Li (5.614, 8.598, 17.31) [0.2764, 0.4233, 0.8521]\n", + " PeriodicSite: Li (5.863, 16.51, 8.134) [0.2886, 0.8126, 0.4004]\n", + " PeriodicSite: Li (7.324, 16.16, 20.04) [0.3606, 0.7956, 0.9868]\n", + " PeriodicSite: Li (15.6, 8.724, 6.7) [0.7678, 0.4295, 0.3298]\n", + " PeriodicSite: Li (3.016, 5.067, 18.42) [0.1485, 0.2495, 0.9066]\n", + " PeriodicSite: Li (17.19, 18.44, 5.207) [0.8463, 0.908, 0.2563]\n", + " PeriodicSite: Li (19.89, 18.59, 18.32) [0.979, 0.9152, 0.9021]\n", + " PeriodicSite: Li (6.888, 8.046, 4.687) [0.3391, 0.3961, 0.2307]\n", + " PeriodicSite: Li (8.059, 5.368, 16.91) [0.3967, 0.2643, 0.8323]\n", + " PeriodicSite: Li (8.448, 20.16, 7.899) [0.4159, 0.9927, 0.3889]\n", + " PeriodicSite: Li (6.997, 19.85, 16.11) [0.3445, 0.9771, 0.7932]\n", + " PeriodicSite: Li (18.87, 9.988, 7.96) [0.929, 0.4917, 0.3919]\n", + " PeriodicSite: Li (18.5, 7.399, 15.43) [0.9108, 0.3643, 0.7594]\n", + " PeriodicSite: Li (18.43, 19.89, 8.364) [0.9073, 0.979, 0.4118]\n", + " PeriodicSite: Li (18.55, 15.27, 16.98) [0.9131, 0.7515, 0.8361]\n", + " PeriodicSite: Li (5.503, 5.838, 8.269) [0.2709, 0.2874, 0.4071]\n", + " PeriodicSite: Li (6.326, 6.51, 19.49) [0.3114, 0.3205, 0.9594]\n", + " PeriodicSite: Li (8.313, 17.64, 9.48) [0.4093, 0.8684, 0.4667]\n", + " PeriodicSite: Li (10.81, 13.66, 15.85) [0.5324, 0.6726, 0.7801]\n", + " PeriodicSite: Li (20.15, 7.396, 7.229) [0.9919, 0.3641, 0.3559]\n", + " PeriodicSite: Li (19.12, 5.239, 17.57) [0.9415, 0.2579, 0.865]\n", + " PeriodicSite: Li (17.16, 17.3, 10.52) [0.8446, 0.8518, 0.5178]\n", + " PeriodicSite: Li (17.05, 17.06, 20.2) [0.8393, 0.8397, 0.9947]\n", + " PeriodicSite: Li (9.379, 7.743, 8.905) [0.4617, 0.3812, 0.4384]\n", + " PeriodicSite: Li (8.56, 8.732, 0.7844) [0.4214, 0.4299, 0.03862]\n", + " PeriodicSite: Li (5.591, 19.39, 7.125) [0.2752, 0.9547, 0.3508]\n", + " PeriodicSite: Li (8.487, 14.38, 3.337) [0.4178, 0.7078, 0.1643]\n", + " PeriodicSite: Li (15.76, 7.274, 9.094) [0.7759, 0.3581, 0.4477]\n", + " PeriodicSite: Li (19.54, 9.712, 18.44) [0.9621, 0.4781, 0.9081]\n", + " PeriodicSite: Li (15.28, 18.84, 7.381) [0.7524, 0.9273, 0.3634]\n", + " PeriodicSite: Li (16.07, 18.64, 16.35) [0.7913, 0.9178, 0.8051]\n", + " PeriodicSite: Li (6.681, 5.225, 11.32) [0.3289, 0.2572, 0.5574]\n", + " PeriodicSite: Li (8.198, 9.759, 18.07) [0.4036, 0.4805, 0.8898]\n", + " PeriodicSite: Li (10.25, 17.48, 7.158) [0.5048, 0.8605, 0.3524]\n", + " PeriodicSite: Li (10.74, 18.12, 1.385) [0.5286, 0.892, 0.06817]\n", + " PeriodicSite: Li (17.97, 8.041, 5.048) [0.8845, 0.3958, 0.2485]\n", + " PeriodicSite: Li (15.35, 3.928, 18.78) [0.7559, 0.1934, 0.9247]\n", + " PeriodicSite: Li (19.09, 16.69, 7.725) [0.94, 0.8217, 0.3803]\n", + " PeriodicSite: Li (18.63, 0.3337, 1.655) [0.9173, 0.01642, 0.08147]\n", + " PeriodicSite: Li (3.33, 10.22, 3.151) [0.164, 0.5032, 0.1551]\n", + " PeriodicSite: Li (10.13, 7.353, 17.62) [0.4985, 0.362, 0.8676]\n", + " PeriodicSite: Li (8.021, 15.97, 6.118) [0.3949, 0.7864, 0.3012]\n", + " PeriodicSite: Li (8.48, 20.16, 19.16) [0.4175, 0.9927, 0.9435]\n", + " PeriodicSite: Li (18.4, 4.82, 6.807) [0.9061, 0.2373, 0.3351]\n", + " PeriodicSite: Li (16.4, 11.9, 15.87) [0.8074, 0.586, 0.7811]\n", + " PeriodicSite: Li (18.21, 14.09, 4.557) [0.8964, 0.6939, 0.2243]\n", + " PeriodicSite: Li (13.24, 0.2721, 14.05) [0.652, 0.01339, 0.6915]\n", + " PeriodicSite: Cl (7.592, 12.12, 12.23) [0.3738, 0.5967, 0.6022]\n", + " PeriodicSite: Cl (2.707, 12.46, 17.5) [0.1333, 0.6134, 0.8615]\n", + " PeriodicSite: Cl (12.88, 18.08, 12.67) [0.634, 0.8899, 0.624]\n", + " PeriodicSite: Cl (17.78, 7.672, 17.57) [0.8756, 0.3777, 0.8648]\n", + " PeriodicSite: Cl (7.52, 2.463, 2.377) [0.3702, 0.1213, 0.117]\n", + " PeriodicSite: Cl (7.37, 7.591, 6.946) [0.3628, 0.3737, 0.3419]\n", + " PeriodicSite: Cl (12.89, 12.58, 7.06) [0.6346, 0.6192, 0.3476]\n", + " PeriodicSite: Cl (2.558, 8.098, 2.667) [0.1259, 0.3987, 0.1313]\n", + " PeriodicSite: Cl (2.532, 6.983, 12.75) [0.1246, 0.3438, 0.6279]\n", + " PeriodicSite: Cl (12.44, 13.07, 17.53) [0.6126, 0.6435, 0.8628]\n", + " PeriodicSite: Cl (17.81, 17.33, 17.87) [0.8767, 0.8533, 0.88]\n", + " PeriodicSite: Cl (2.516, 2.576, 7.798) [0.1239, 0.1268, 0.3839]\n", + " PeriodicSite: Cl (12.61, 2.49, 18.44) [0.621, 0.1226, 0.9079]\n", + " PeriodicSite: Cl (12.23, 7.577, 2.989) [0.6022, 0.373, 0.1472]\n", + " PeriodicSite: Cl (17.4, 2.454, 13.3) [0.8569, 0.1208, 0.6546]\n", + " PeriodicSite: Cl (7.324, 17.82, 18.23) [0.3606, 0.8775, 0.8975]\n", + " PeriodicSite: Cl (0.01612, 0.03202, 20.27) [0.0007993, 0.001578, 0.9981]\n", + " PeriodicSite: Cl (19.98, 20.3, 10.24) [0.9835, 0.9992, 0.5039]\n", + " PeriodicSite: Cl (0.2235, 10.29, 0.09629) [0.011, 0.5068, 0.004741]\n", + " PeriodicSite: Cl (20.26, 9.812, 10.34) [0.9976, 0.4831, 0.5091]\n", + " PeriodicSite: Cl (10.39, 0.09393, 0.379) [0.5116, 0.004619, 0.01866]\n", + " PeriodicSite: Cl (9.763, 0.7503, 9.639) [0.4807, 0.03694, 0.4746]\n", + " PeriodicSite: Cl (9.832, 10.35, 20.04) [0.484, 0.5096, 0.9864]\n", + " PeriodicSite: Cl (9.964, 9.744, 9.727) [0.4905, 0.4797, 0.4789]\n", + " PeriodicSite: Cl (20.07, 5.179, 5.293) [0.9882, 0.2549, 0.2606]\n", + " PeriodicSite: Cl (19.88, 5.29, 15.15) [0.9787, 0.2604, 0.7459]\n", + " PeriodicSite: Cl (0.1237, 14.94, 5.0) [0.006084, 0.7356, 0.2461]\n", + " PeriodicSite: Cl (20.11, 14.78, 15.21) [0.9903, 0.7277, 0.7487]\n", + " PeriodicSite: Cl (10.2, 5.277, 5.141) [0.502, 0.2598, 0.2531]\n", + " PeriodicSite: Cl (10.33, 5.431, 16.17) [0.5087, 0.2674, 0.7958]\n", + " PeriodicSite: Cl (10.32, 15.17, 5.383) [0.5082, 0.7469, 0.265]\n", + " PeriodicSite: Cl (10.05, 15.84, 15.41) [0.4946, 0.7797, 0.7588]\n", + " PeriodicSite: S (5.106, 20.11, 5.083) [0.2514, 0.9901, 0.2503]\n", + " PeriodicSite: S (4.87, 20.06, 14.98) [0.2398, 0.9876, 0.7377]\n", + " PeriodicSite: S (5.163, 9.713, 4.757) [0.2542, 0.4782, 0.2342]\n", + " PeriodicSite: S (5.026, 9.664, 15.07) [0.2475, 0.4758, 0.7417]\n", + " PeriodicSite: S (15.61, 0.4174, 5.322) [0.7687, 0.02054, 0.262]\n", + " PeriodicSite: S (15.32, 0.08461, 15.26) [0.7542, 0.00416, 0.7514]\n", + " PeriodicSite: S (15.39, 10.48, 4.936) [0.7579, 0.5157, 0.243]\n", + " PeriodicSite: S (14.89, 10.36, 14.69) [0.7332, 0.5101, 0.7232]\n", + " PeriodicSite: S (4.856, 4.592, 20.02) [0.239, 0.2261, 0.9856]\n", + " PeriodicSite: S (4.481, 5.007, 10.29) [0.2206, 0.2465, 0.5064]\n", + " PeriodicSite: S (5.321, 14.97, 0.05836) [0.2619, 0.7371, 0.002876]\n", + " PeriodicSite: S (4.887, 14.73, 9.989) [0.2406, 0.7251, 0.4918]\n", + " PeriodicSite: S (15.36, 5.266, 0.2923) [0.7564, 0.2593, 0.01439]\n", + " PeriodicSite: S (14.58, 5.495, 10.39) [0.7179, 0.2705, 0.5113]\n", + " PeriodicSite: S (15.35, 15.35, 0.2597) [0.7555, 0.7559, 0.01279]\n", + " PeriodicSite: S (15.17, 15.53, 10.27) [0.7469, 0.7648, 0.5054]\n", + " PeriodicSite: S (8.504, 4.055, 8.777) [0.4187, 0.1996, 0.4321]\n", + " PeriodicSite: S (9.153, 4.196, 18.86) [0.4506, 0.2066, 0.9283]\n", + " PeriodicSite: S (9.242, 13.99, 8.94) [0.455, 0.6885, 0.4401]\n", + " PeriodicSite: S (9.213, 14.27, 19.33) [0.4536, 0.7025, 0.9518]\n", + " PeriodicSite: S (18.95, 3.723, 9.055) [0.933, 0.1833, 0.4458]\n", + " PeriodicSite: S (19.48, 3.768, 19.35) [0.9589, 0.1855, 0.9524]\n", + " PeriodicSite: S (18.82, 14.67, 8.813) [0.9265, 0.7223, 0.4339]\n", + " PeriodicSite: S (19.1, 14.08, 19.13) [0.9405, 0.6931, 0.9417]\n", + " PeriodicSite: S (4.126, 1.374, 1.416) [0.2031, 0.06765, 0.0697]\n", + " PeriodicSite: S (3.779, 0.6031, 11.21) [0.186, 0.02969, 0.5519]\n", + " PeriodicSite: S (3.758, 11.36, 0.775) [0.185, 0.5593, 0.03816]\n", + " PeriodicSite: S (3.483, 11.24, 11.13) [0.1715, 0.5534, 0.548]\n", + " PeriodicSite: S (14.17, 1.565, 1.365) [0.6976, 0.07705, 0.06719]\n", + " PeriodicSite: S (14.03, 1.487, 11.63) [0.6905, 0.07319, 0.5726]\n", + " PeriodicSite: S (13.61, 10.94, 0.9168) [0.6701, 0.5386, 0.04514]\n", + " PeriodicSite: S (13.8, 11.31, 10.73) [0.6793, 0.5568, 0.5282]\n", + " PeriodicSite: S (6.2, 0.9068, 8.866) [0.3052, 0.04464, 0.4365]\n", + " PeriodicSite: S (6.388, 1.15, 19.0) [0.3145, 0.05663, 0.9353]\n", + " PeriodicSite: S (5.879, 11.25, 8.799) [0.2894, 0.5537, 0.4332]\n", + " PeriodicSite: S (6.418, 11.12, 19.11) [0.316, 0.5474, 0.9407]\n", + " PeriodicSite: S (16.39, 1.488, 9.219) [0.8071, 0.07327, 0.4539]\n", + " PeriodicSite: S (16.66, 1.796, 19.37) [0.8204, 0.08841, 0.9535]\n", + " PeriodicSite: S (16.53, 11.07, 8.607) [0.8136, 0.5449, 0.4237]\n", + " PeriodicSite: S (16.36, 11.16, 19.17) [0.8055, 0.5494, 0.9438]\n", + " PeriodicSite: S (1.405, 4.289, 1.683) [0.06919, 0.2112, 0.08287]\n", + " PeriodicSite: S (0.4266, 4.008, 11.98) [0.021, 0.1973, 0.59]\n", + " PeriodicSite: S (1.022, 14.08, 1.301) [0.05031, 0.6933, 0.06405]\n", + " PeriodicSite: S (0.8831, 13.85, 11.33) [0.04347, 0.6819, 0.5576]\n", + " PeriodicSite: S (11.12, 4.121, 1.26) [0.5475, 0.2029, 0.06205]\n", + " PeriodicSite: S (10.91, 3.813, 11.33) [0.537, 0.1877, 0.558]\n", + " PeriodicSite: S (11.55, 14.13, 1.539) [0.5686, 0.6958, 0.07579]\n", + " PeriodicSite: S (11.42, 14.07, 11.33) [0.562, 0.6927, 0.5576]\n", + " PeriodicSite: S (2.795, 2.25, 17.9) [0.1376, 0.1108, 0.8811]\n", + " PeriodicSite: S (2.802, 12.91, 7.606) [0.138, 0.6356, 0.3745]\n", + " PeriodicSite: S (12.77, 2.843, 7.556) [0.6288, 0.1399, 0.372]\n", + " PeriodicSite: S (9.177, 8.963, 3.578) [0.4518, 0.4413, 0.1761]\n", + " PeriodicSite: S (8.991, 9.505, 13.78) [0.4427, 0.468, 0.6786]\n", + " PeriodicSite: S (9.325, 19.2, 3.905) [0.4591, 0.9452, 0.1923]\n", + " PeriodicSite: S (8.985, 19.65, 13.96) [0.4423, 0.9675, 0.6874]\n", + " PeriodicSite: S (19.25, 9.326, 3.83) [0.9478, 0.4591, 0.1885]\n", + " PeriodicSite: S (18.97, 9.316, 13.79) [0.9337, 0.4586, 0.6789]\n", + " PeriodicSite: S (19.21, 19.26, 4.06) [0.9459, 0.9481, 0.1999]\n", + " PeriodicSite: S (18.89, 19.03, 14.42) [0.9301, 0.9368, 0.7098]\n", + " PeriodicSite: S (3.476, 6.053, 6.334) [0.1711, 0.298, 0.3118]\n", + " PeriodicSite: S (3.778, 6.228, 16.29) [0.186, 0.3066, 0.8019]\n", + " PeriodicSite: S (4.089, 16.05, 6.12) [0.2013, 0.7902, 0.3013]\n", + " PeriodicSite: S (3.6, 16.11, 16.22) [0.1772, 0.7933, 0.7985]\n", + " PeriodicSite: S (14.07, 6.511, 6.617) [0.6925, 0.3206, 0.3258]\n", + " PeriodicSite: S (13.76, 6.481, 16.45) [0.6775, 0.3191, 0.8096]\n", + " PeriodicSite: S (14.08, 16.55, 6.049) [0.6929, 0.815, 0.2978]\n", + " PeriodicSite: S (13.87, 16.66, 16.31) [0.6829, 0.8201, 0.803]\n", + " PeriodicSite: S (5.728, 6.059, 3.751) [0.282, 0.2983, 0.1846]\n", + " PeriodicSite: S (6.426, 5.74, 14.13) [0.3164, 0.2826, 0.6958]\n", + " PeriodicSite: S (6.614, 16.17, 3.901) [0.3256, 0.7959, 0.1921]\n", + " PeriodicSite: S (5.863, 15.87, 13.78) [0.2886, 0.7815, 0.6782]\n", + " PeriodicSite: S (16.13, 6.683, 3.952) [0.7942, 0.329, 0.1946]\n", + " PeriodicSite: S (16.32, 6.611, 14.33) [0.8036, 0.3255, 0.7056]\n", + " PeriodicSite: S (16.62, 16.18, 3.855) [0.8183, 0.7964, 0.1898]\n", + " PeriodicSite: S (16.46, 16.59, 14.14) [0.8102, 0.8167, 0.6963]\n", + " PeriodicSite: S (1.126, 9.191, 6.42) [0.05541, 0.4525, 0.316]\n", + " PeriodicSite: S (0.8651, 8.825, 16.33) [0.04259, 0.4345, 0.8037]\n", + " PeriodicSite: S (1.273, 18.99, 6.266) [0.06266, 0.9348, 0.3085]\n", + " PeriodicSite: S (1.4, 19.02, 16.61) [0.06892, 0.9363, 0.8177]\n", + " PeriodicSite: S (11.08, 8.953, 6.444) [0.5456, 0.4408, 0.3172]\n", + " PeriodicSite: S (11.29, 9.175, 16.11) [0.5557, 0.4517, 0.793]\n", + " PeriodicSite: S (11.55, 19.5, 6.683) [0.5685, 0.9602, 0.329]\n", + " PeriodicSite: S (11.71, 19.43, 15.86) [0.5767, 0.9565, 0.7808]\n", + " PeriodicSite: S (2.873, 17.37, 2.556) [0.1414, 0.8551, 0.1258]\n", + " PeriodicSite: S (2.149, 17.51, 12.75) [0.1058, 0.862, 0.6278]\n", + " PeriodicSite: S (12.82, 7.74, 12.61) [0.6311, 0.381, 0.6207]\n", + " PeriodicSite: S (12.87, 18.07, 2.722) [0.6337, 0.8898, 0.134]\n", + " PeriodicSite: S (4.189, 3.344, 4.336) [0.2062, 0.1646, 0.2135]\n", + " PeriodicSite: S (3.702, 3.479, 14.28) [0.1823, 0.1713, 0.7032]\n", + " PeriodicSite: S (4.283, 13.63, 3.97) [0.2109, 0.6708, 0.1955]\n", + " PeriodicSite: S (3.904, 13.32, 14.3) [0.1922, 0.6556, 0.7038]\n", + " PeriodicSite: S (13.96, 4.312, 3.842) [0.6872, 0.2123, 0.1891]\n", + " PeriodicSite: S (14.07, 4.016, 14.22) [0.6929, 0.1977, 0.6999]\n", + " PeriodicSite: S (13.97, 14.2, 3.736) [0.6878, 0.6989, 0.1839]\n", + " PeriodicSite: S (14.07, 14.16, 14.23) [0.6926, 0.697, 0.7005]\n", + " PeriodicSite: S (9.272, 1.399, 5.979) [0.4565, 0.06886, 0.2944]\n", + " PeriodicSite: S (8.922, 0.8433, 16.92) [0.4393, 0.04151, 0.833]\n", + " PeriodicSite: S (8.842, 11.45, 6.099) [0.4353, 0.5636, 0.3003]\n", + " PeriodicSite: S (8.811, 11.63, 16.4) [0.4338, 0.5727, 0.8073]\n", + " PeriodicSite: S (19.41, 1.281, 6.676) [0.9558, 0.06307, 0.3287]\n", + " PeriodicSite: S (19.26, 0.9745, 16.75) [0.9483, 0.04797, 0.8246]\n", + " PeriodicSite: S (19.26, 11.7, 6.144) [0.9482, 0.576, 0.3025]\n", + " PeriodicSite: S (18.88, 11.21, 16.43) [0.9293, 0.552, 0.809]\n", + " PeriodicSite: S (1.387, 1.224, 4.068) [0.0683, 0.06025, 0.2003]\n", + " PeriodicSite: S (1.151, 1.059, 14.08) [0.05667, 0.05213, 0.6932]\n", + " PeriodicSite: S (1.576, 11.64, 4.098) [0.07759, 0.5729, 0.2018]\n", + " PeriodicSite: S (0.7643, 11.57, 14.05) [0.03763, 0.5694, 0.6919]\n", + " PeriodicSite: S (11.78, 1.251, 3.778) [0.58, 0.06159, 0.186]\n", + " PeriodicSite: S (11.09, 2.041, 14.35) [0.5458, 0.1005, 0.7067]\n", + " PeriodicSite: S (11.52, 11.3, 3.958) [0.5672, 0.5561, 0.1949]\n", + " PeriodicSite: S (11.22, 11.98, 14.04) [0.5523, 0.59, 0.6911]\n", + " PeriodicSite: S (6.149, 4.149, 6.684) [0.3027, 0.2043, 0.3291]\n", + " PeriodicSite: S (6.158, 3.715, 16.48) [0.3032, 0.1829, 0.8115]\n", + " PeriodicSite: S (6.775, 13.92, 6.204) [0.3335, 0.6854, 0.3054]\n", + " PeriodicSite: S (6.185, 14.18, 16.69) [0.3045, 0.6979, 0.8216]\n", + " PeriodicSite: S (16.27, 4.025, 6.227) [0.801, 0.1981, 0.3066]\n", + " PeriodicSite: S (16.49, 4.108, 16.31) [0.8119, 0.2022, 0.8028]\n", + " PeriodicSite: S (16.5, 14.16, 6.376) [0.8125, 0.6969, 0.3139]\n", + " PeriodicSite: S (16.26, 14.2, 16.64) [0.8005, 0.6993, 0.8193]\n", + " PeriodicSite: S (7.132, 2.103, 12.33) [0.3511, 0.1035, 0.6069]\n", + " PeriodicSite: S (7.787, 12.27, 2.454) [0.3834, 0.6041, 0.1208]\n", + " PeriodicSite: S (17.93, 2.402, 2.408) [0.883, 0.1183, 0.1185]\n", + " PeriodicSite: S (17.63, 12.49, 2.34) [0.8681, 0.615, 0.1152]\n", + " PeriodicSite: S (17.41, 12.81, 12.5) [0.8572, 0.6306, 0.6153]\n", + " PeriodicSite: S (3.838, 8.816, 8.674) [0.189, 0.434, 0.427]\n", + " PeriodicSite: S (3.764, 8.893, 18.88) [0.1853, 0.4378, 0.9294]\n", + " PeriodicSite: S (3.905, 18.74, 8.688) [0.1922, 0.9228, 0.4277]\n", + " PeriodicSite: S (3.98, 19.11, 19.54) [0.196, 0.9409, 0.9618]\n", + " PeriodicSite: S (13.8, 8.965, 8.6) [0.6794, 0.4414, 0.4234]\n", + " PeriodicSite: S (13.88, 9.006, 18.54) [0.6833, 0.4434, 0.9127]\n", + " PeriodicSite: S (13.68, 19.51, 9.198) [0.6735, 0.9606, 0.4528]\n", + " PeriodicSite: S (14.34, 19.73, 19.04) [0.7059, 0.9711, 0.9372]\n", + " PeriodicSite: S (8.723, 6.402, 1.112) [0.4294, 0.3152, 0.05477]\n", + " PeriodicSite: S (8.864, 6.526, 11.08) [0.4364, 0.3213, 0.5456]\n", + " PeriodicSite: S (9.001, 16.41, 1.633) [0.4431, 0.8077, 0.08039]\n", + " PeriodicSite: S (9.097, 16.37, 11.32) [0.4478, 0.8058, 0.5571]\n", + " PeriodicSite: S (19.04, 6.115, 1.377) [0.9373, 0.3011, 0.06777]\n", + " PeriodicSite: S (18.21, 6.154, 11.36) [0.8966, 0.3029, 0.5594]\n", + " PeriodicSite: S (19.07, 16.45, 1.314) [0.939, 0.81, 0.06469]\n", + " PeriodicSite: S (19.04, 16.2, 11.65) [0.9373, 0.7976, 0.5737]\n", + " PeriodicSite: S (0.7962, 6.428, 9.683) [0.0392, 0.3165, 0.4767]\n", + " PeriodicSite: S (1.116, 6.403, 19.36) [0.05494, 0.3152, 0.9532]\n", + " PeriodicSite: S (1.092, 16.48, 9.2) [0.05375, 0.8113, 0.4529]\n", + " PeriodicSite: S (1.131, 16.38, 19.29) [0.05566, 0.8065, 0.9495]\n", + " PeriodicSite: S (11.1, 6.151, 8.94) [0.5466, 0.3028, 0.4401]\n", + " PeriodicSite: S (11.43, 6.513, 19.33) [0.5625, 0.3206, 0.9517]\n", + " PeriodicSite: S (11.66, 16.35, 8.995) [0.574, 0.8048, 0.4428]\n", + " PeriodicSite: S (11.42, 16.66, 19.44) [0.5624, 0.8202, 0.9573]\n", + " PeriodicSite: S (6.007, 8.72, 0.9265) [0.2958, 0.4293, 0.04562]\n", + " PeriodicSite: S (6.07, 8.899, 11.3) [0.2989, 0.4381, 0.5562]\n", + " PeriodicSite: S (6.61, 19.27, 1.367) [0.3254, 0.9486, 0.0673]\n", + " PeriodicSite: S (6.366, 18.65, 11.19) [0.3134, 0.918, 0.551]\n", + " PeriodicSite: S (16.15, 8.669, 1.027) [0.7953, 0.4268, 0.05054]\n", + " PeriodicSite: S (16.0, 8.778, 11.0) [0.7877, 0.4321, 0.5416]\n", + " PeriodicSite: S (16.48, 19.28, 1.022) [0.8114, 0.9494, 0.05032]\n", + " PeriodicSite: S (16.4, 19.37, 11.54) [0.8072, 0.9534, 0.5682]\n", + " PeriodicSite: S (7.518, 7.623, 17.77) [0.3701, 0.3753, 0.8746]\n", + " PeriodicSite: S (7.815, 18.01, 7.232) [0.3848, 0.8865, 0.3561]\n", + " PeriodicSite: S (17.86, 7.85, 7.428) [0.8793, 0.3865, 0.3657]\n", + " PeriodicSite: S (17.27, 17.94, 7.728) [0.8501, 0.8834, 0.3805]\n", + " PeriodicSite: P (5.224, 0.0609, 0.1874) [0.2572, 0.002996, 0.009226]\n", + " PeriodicSite: P (5.175, 19.77, 10.08) [0.2548, 0.9733, 0.496]\n", + " PeriodicSite: P (5.007, 10.03, 20.08) [0.2465, 0.4938, 0.9887]\n", + " PeriodicSite: P (4.89, 10.06, 10.06) [0.2407, 0.4955, 0.495]\n", + " PeriodicSite: P (15.44, 0.4561, 0.04091) [0.7602, 0.02245, 0.002018]\n", + " PeriodicSite: P (15.04, 0.2536, 10.38) [0.7403, 0.01248, 0.5108]\n", + " PeriodicSite: P (14.91, 9.989, 20.14) [0.7341, 0.4918, 0.9915]\n", + " PeriodicSite: P (15.11, 10.19, 9.81) [0.7441, 0.5016, 0.483]\n", + " PeriodicSite: P (4.958, 4.905, 5.301) [0.2441, 0.2415, 0.261]\n", + " PeriodicSite: P (4.928, 4.87, 15.34) [0.2426, 0.2397, 0.7553]\n", + " PeriodicSite: P (5.377, 14.93, 5.009) [0.2647, 0.7349, 0.2466]\n", + " PeriodicSite: P (4.945, 14.87, 15.25) [0.2435, 0.7323, 0.7509]\n", + " PeriodicSite: P (15.21, 5.376, 5.157) [0.7488, 0.2647, 0.2539]\n", + " PeriodicSite: P (15.1, 5.433, 15.4) [0.7435, 0.2675, 0.758]\n", + " PeriodicSite: P (15.22, 15.13, 5.025) [0.7495, 0.7451, 0.2474]\n", + " PeriodicSite: P (15.2, 15.45, 15.33) [0.7482, 0.7604, 0.7546]\n", + " PeriodicSite: P (0.1198, 20.27, 5.285) [0.005891, 0.9978, 0.2602]\n", + " PeriodicSite: P (20.28, 20.22, 15.33) [0.9983, 0.9954, 0.7547]\n", + " PeriodicSite: P (0.1855, 10.41, 5.106) [0.009129, 0.5123, 0.2514]\n", + " PeriodicSite: P (20.1, 10.25, 15.23) [0.9893, 0.5048, 0.75]\n", + " PeriodicSite: P (10.62, 0.1367, 5.134) [0.5228, 0.006724, 0.2528]\n", + " PeriodicSite: P (10.13, 0.3831, 15.32) [0.4989, 0.01886, 0.7542]\n", + " PeriodicSite: P (10.03, 10.16, 5.051) [0.4936, 0.5001, 0.2486]\n", + " PeriodicSite: P (10.15, 10.47, 15.09) [0.4997, 0.5155, 0.7431]\n", + " PeriodicSite: P (0.0765, 5.062, 0.2446) [0.003764, 0.2492, 0.01204]\n", + " PeriodicSite: P (19.72, 5.104, 10.46) [0.971, 0.2513, 0.515]\n", + " PeriodicSite: P (20.16, 15.24, 0.07895) [0.9924, 0.7505, 0.003893]\n", + " PeriodicSite: P (20.18, 15.26, 10.17) [0.9935, 0.7515, 0.5007]\n", + " PeriodicSite: P (10.12, 5.335, 20.25) [0.498, 0.2626, 0.9968]\n", + " PeriodicSite: P (9.794, 5.028, 10.05) [0.4822, 0.2476, 0.4948]\n", + " PeriodicSite: P (10.33, 15.32, 0.2949) [0.5087, 0.7541, 0.01452]\n", + " PeriodicSite: P (10.35, 15.17, 10.02) [0.5094, 0.747, 0.4935],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.346, 3.341, 5.804) [0.06624, 0.1645, 0.2857]\n", + " PeriodicSite: Li (0.7872, 2.959, 15.98) [0.03876, 0.1457, 0.7868]\n", + " PeriodicSite: Li (2.981, 13.01, 9.844) [0.1468, 0.6406, 0.4846]\n", + " PeriodicSite: Li (1.855, 13.15, 15.72) [0.09134, 0.6474, 0.7741]\n", + " PeriodicSite: Li (14.56, 0.9002, 7.815) [0.7167, 0.04431, 0.3847]\n", + " PeriodicSite: Li (11.82, 3.8, 15.58) [0.582, 0.1871, 0.7671]\n", + " PeriodicSite: Li (15.53, 12.23, 2.562) [0.7646, 0.6019, 0.1262]\n", + " PeriodicSite: Li (15.79, 9.231, 17.11) [0.7775, 0.4544, 0.8425]\n", + " PeriodicSite: Li (2.613, 4.27, 8.699) [0.1287, 0.2102, 0.4282]\n", + " PeriodicSite: Li (4.402, 20.15, 17.37) [0.2167, 0.9922, 0.8549]\n", + " PeriodicSite: Li (5.781, 9.334, 7.091) [0.2846, 0.4595, 0.3491]\n", + " PeriodicSite: Li (6.34, 10.61, 13.07) [0.3121, 0.5221, 0.6433]\n", + " PeriodicSite: Li (12.58, 4.128, 5.89) [0.6194, 0.2032, 0.29]\n", + " PeriodicSite: Li (13.58, 6.037, 19.11) [0.6687, 0.2972, 0.9407]\n", + " PeriodicSite: Li (9.894, 8.127, 12.03) [0.4871, 0.4001, 0.5925]\n", + " PeriodicSite: Li (11.43, 16.97, 16.95) [0.5626, 0.8357, 0.8343]\n", + " PeriodicSite: Li (3.093, 0.2506, 6.576) [0.1523, 0.01234, 0.3237]\n", + " PeriodicSite: Li (3.157, 1.902, 15.37) [0.1554, 0.09366, 0.7569]\n", + " PeriodicSite: Li (2.935, 11.34, 5.85) [0.1445, 0.5581, 0.288]\n", + " PeriodicSite: Li (5.632, 11.95, 16.06) [0.2773, 0.5882, 0.7905]\n", + " PeriodicSite: Li (12.36, 1.151, 9.73) [0.6084, 0.05668, 0.479]\n", + " PeriodicSite: Li (10.46, 2.001, 19.48) [0.5149, 0.09849, 0.9591]\n", + " PeriodicSite: Li (13.68, 13.54, 9.919) [0.6735, 0.6667, 0.4883]\n", + " PeriodicSite: Li (10.54, 12.01, 18.35) [0.5191, 0.5912, 0.9033]\n", + " PeriodicSite: Li (0.4023, 1.379, 8.574) [0.01981, 0.06791, 0.4221]\n", + " PeriodicSite: Li (3.065, 3.202, 20.21) [0.1509, 0.1576, 0.995]\n", + " PeriodicSite: Li (0.2317, 13.15, 7.235) [0.0114, 0.6475, 0.3562]\n", + " PeriodicSite: Li (4.219, 13.74, 18.87) [0.2077, 0.6765, 0.9291]\n", + " PeriodicSite: Li (13.6, 1.608, 5.373) [0.6695, 0.07916, 0.2645]\n", + " PeriodicSite: Li (13.96, 0.02455, 17.12) [0.6874, 0.001204, 0.8429]\n", + " PeriodicSite: Li (10.08, 11.71, 8.281) [0.4962, 0.5763, 0.4077]\n", + " PeriodicSite: Li (14.84, 15.29, 18.13) [0.7305, 0.7526, 0.8924]\n", + " PeriodicSite: Li (6.259, 1.803, 5.206) [0.3082, 0.08875, 0.2563]\n", + " PeriodicSite: Li (0.773, 0.8678, 18.23) [0.03806, 0.04272, 0.8973]\n", + " PeriodicSite: Li (4.872, 13.31, 7.875) [0.2399, 0.6551, 0.3877]\n", + " PeriodicSite: Li (1.185, 17.52, 14.91) [0.05834, 0.8626, 0.7339]\n", + " PeriodicSite: Li (14.5, 3.861, 8.118) [0.714, 0.1901, 0.3997]\n", + " PeriodicSite: Li (13.22, 3.341, 0.3161) [0.6508, 0.1645, 0.01556]\n", + " PeriodicSite: Li (16.05, 15.83, 8.049) [0.7901, 0.7795, 0.3963]\n", + " PeriodicSite: Li (13.44, 13.79, 0.7423) [0.6617, 0.6789, 0.03655]\n", + " PeriodicSite: Li (5.882, 0.3497, 2.842) [0.2896, 0.01722, 0.1399]\n", + " PeriodicSite: Li (4.928, 2.921, 18.16) [0.2426, 0.1438, 0.8942]\n", + " PeriodicSite: Li (2.151, 14.12, 5.274) [0.1059, 0.6954, 0.2597]\n", + " PeriodicSite: Li (20.31, 12.42, 2.034) [0.9999, 0.6115, 0.1002]\n", + " PeriodicSite: Li (10.42, 2.459, 8.063) [0.5132, 0.121, 0.397]\n", + " PeriodicSite: Li (17.12, 0.7512, 16.98) [0.8428, 0.03698, 0.8359]\n", + " PeriodicSite: Li (15.06, 11.72, 6.576) [0.7416, 0.5769, 0.3238]\n", + " PeriodicSite: Li (13.05, 11.19, 15.97) [0.6425, 0.5507, 0.7864]\n", + " PeriodicSite: Li (3.242, 10.27, 16.51) [0.1596, 0.5056, 0.8129]\n", + " PeriodicSite: Li (1.706, 10.45, 8.634) [0.08399, 0.5147, 0.4251]\n", + " PeriodicSite: Li (4.428, 16.88, 18.34) [0.218, 0.8309, 0.9031]\n", + " PeriodicSite: Li (2.484, 17.79, 10.71) [0.1223, 0.8759, 0.5275]\n", + " PeriodicSite: Li (14.38, 6.161, 2.105) [0.7077, 0.3033, 0.1036]\n", + " PeriodicSite: Li (14.04, 8.001, 14.95) [0.6914, 0.3939, 0.7362]\n", + " PeriodicSite: Li (12.64, 15.14, 6.961) [0.6222, 0.7452, 0.3427]\n", + " PeriodicSite: Li (14.54, 18.35, 13.93) [0.7158, 0.9034, 0.6859]\n", + " PeriodicSite: Li (4.66, 6.847, 1.388) [0.2294, 0.3371, 0.06832]\n", + " PeriodicSite: Li (2.801, 4.815, 12.08) [0.1379, 0.2371, 0.5948]\n", + " PeriodicSite: Li (4.674, 17.97, 1.756) [0.2301, 0.8845, 0.08646]\n", + " PeriodicSite: Li (4.238, 17.55, 14.6) [0.2086, 0.8639, 0.7185]\n", + " PeriodicSite: Li (16.51, 6.668, 0.02317) [0.8129, 0.3283, 0.001146]\n", + " PeriodicSite: Li (12.51, 5.436, 12.58) [0.616, 0.2676, 0.6195]\n", + " PeriodicSite: Li (13.28, 18.7, 4.439) [0.6539, 0.9204, 0.2185]\n", + " PeriodicSite: Li (10.12, 17.12, 13.23) [0.4984, 0.8429, 0.6514]\n", + " PeriodicSite: Li (1.591, 8.73, 0.6003) [0.07833, 0.4298, 0.02955]\n", + " PeriodicSite: Li (3.044, 6.767, 10.23) [0.1499, 0.3332, 0.5034]\n", + " PeriodicSite: Li (2.868, 15.83, 1.047) [0.1412, 0.7793, 0.05155]\n", + " PeriodicSite: Li (4.898, 16.54, 12.0) [0.2411, 0.8141, 0.591]\n", + " PeriodicSite: Li (12.11, 9.185, 20.24) [0.596, 0.4522, 0.9964]\n", + " PeriodicSite: Li (10.61, 7.641, 14.72) [0.5224, 0.3762, 0.7249]\n", + " PeriodicSite: Li (12.29, 15.75, 3.286) [0.6049, 0.7756, 0.1618]\n", + " PeriodicSite: Li (13.63, 15.59, 12.14) [0.6711, 0.7673, 0.5978]\n", + " PeriodicSite: Li (0.2991, 5.682, 3.003) [0.01472, 0.2797, 0.1478]\n", + " PeriodicSite: Li (18.29, 8.131, 9.514) [0.9006, 0.4003, 0.4684]\n", + " PeriodicSite: Li (0.4837, 17.58, 4.121) [0.02381, 0.8657, 0.2029]\n", + " PeriodicSite: Li (20.27, 18.56, 11.8) [0.9981, 0.9137, 0.5811]\n", + " PeriodicSite: Li (10.61, 5.981, 2.773) [0.5226, 0.2944, 0.1365]\n", + " PeriodicSite: Li (13.42, 9.883, 12.92) [0.6607, 0.4866, 0.6363]\n", + " PeriodicSite: Li (13.55, 17.33, 0.07279) [0.6672, 0.853, 0.003589]\n", + " PeriodicSite: Li (8.123, 15.73, 17.01) [0.3999, 0.7743, 0.8374]\n", + " PeriodicSite: Li (4.219, 7.542, 4.569) [0.2077, 0.3713, 0.2249]\n", + " PeriodicSite: Li (0.3277, 7.614, 11.22) [0.01613, 0.3748, 0.5522]\n", + " PeriodicSite: Li (1.129, 18.25, 1.131) [0.05559, 0.8984, 0.05568]\n", + " PeriodicSite: Li (3.03, 19.62, 13.79) [0.1491, 0.9659, 0.6788]\n", + " PeriodicSite: Li (13.72, 9.799, 3.289) [0.6753, 0.4824, 0.1619]\n", + " PeriodicSite: Li (12.91, 7.267, 10.15) [0.6358, 0.3578, 0.4996]\n", + " PeriodicSite: Li (12.21, 20.18, 1.728) [0.6009, 0.9935, 0.0851]\n", + " PeriodicSite: Li (13.62, 17.53, 10.27) [0.6704, 0.8628, 0.5054]\n", + " PeriodicSite: Li (5.124, 3.387, 2.276) [0.2523, 0.1667, 0.1121]\n", + " PeriodicSite: Li (4.447, 7.775, 13.49) [0.2189, 0.3828, 0.6642]\n", + " PeriodicSite: Li (4.084, 17.76, 4.511) [0.2011, 0.8744, 0.2221]\n", + " PeriodicSite: Li (1.369, 15.6, 12.71) [0.06739, 0.7678, 0.6258]\n", + " PeriodicSite: Li (12.9, 10.76, 5.883) [0.635, 0.5299, 0.2896]\n", + " PeriodicSite: Li (14.78, 7.124, 11.8) [0.7276, 0.3507, 0.581]\n", + " PeriodicSite: Li (14.7, 16.01, 2.178) [0.7238, 0.788, 0.1072]\n", + " PeriodicSite: Li (15.48, 2.368, 14.47) [0.7622, 0.1166, 0.7126]\n", + " PeriodicSite: Li (9.801, 3.426, 3.683) [0.4825, 0.1687, 0.1813]\n", + " PeriodicSite: Li (7.489, 3.238, 14.38) [0.3687, 0.1594, 0.7079]\n", + " PeriodicSite: Li (6.262, 10.66, 2.522) [0.3083, 0.5248, 0.1241]\n", + " PeriodicSite: Li (3.397, 10.34, 13.42) [0.1672, 0.509, 0.6605]\n", + " PeriodicSite: Li (17.8, 1.618, 4.826) [0.8764, 0.07964, 0.2376]\n", + " PeriodicSite: Li (12.54, 4.433, 9.532) [0.6175, 0.2183, 0.4693]\n", + " PeriodicSite: Li (18.06, 10.25, 1.516) [0.889, 0.5045, 0.07466]\n", + " PeriodicSite: Li (17.08, 10.04, 13.3) [0.8407, 0.4944, 0.6546]\n", + " PeriodicSite: Li (7.386, 18.49, 5.312) [0.3636, 0.9101, 0.2615]\n", + " PeriodicSite: Li (4.822, 1.781, 12.97) [0.2374, 0.08768, 0.6385]\n", + " PeriodicSite: Li (7.375, 12.5, 0.0748) [0.3631, 0.6155, 0.003686]\n", + " PeriodicSite: Li (9.809, 12.81, 12.47) [0.4829, 0.6305, 0.6141]\n", + " PeriodicSite: Li (15.96, 0.53, 3.077) [0.7858, 0.02608, 0.1515]\n", + " PeriodicSite: Li (19.14, 1.936, 11.19) [0.9421, 0.09531, 0.5508]\n", + " PeriodicSite: Li (17.3, 11.19, 4.467) [0.8517, 0.5511, 0.2199]\n", + " PeriodicSite: Li (17.32, 14.75, 12.32) [0.8525, 0.7263, 0.6066]\n", + " PeriodicSite: Li (8.632, 5.297, 6.919) [0.425, 0.2608, 0.3407]\n", + " PeriodicSite: Li (9.244, 1.278, 12.84) [0.4551, 0.06292, 0.6321]\n", + " PeriodicSite: Li (11.03, 13.21, 5.678) [0.5429, 0.6505, 0.2796]\n", + " PeriodicSite: Li (7.059, 14.57, 10.27) [0.3475, 0.7171, 0.5056]\n", + " PeriodicSite: Li (20.26, 2.702, 1.492) [0.9975, 0.133, 0.07348]\n", + " PeriodicSite: Li (19.02, 4.755, 13.13) [0.9363, 0.2341, 0.6462]\n", + " PeriodicSite: Li (17.01, 14.77, 1.627) [0.8374, 0.7271, 0.08009]\n", + " PeriodicSite: Li (15.4, 12.71, 12.75) [0.7583, 0.6256, 0.6275]\n", + " PeriodicSite: Li (3.287, 20.0, 3.534) [0.1618, 0.9844, 0.174]\n", + " PeriodicSite: Li (6.551, 20.18, 13.06) [0.3225, 0.9936, 0.6428]\n", + " PeriodicSite: Li (5.17, 13.3, 1.907) [0.2545, 0.6546, 0.09388]\n", + " PeriodicSite: Li (6.817, 8.386, 15.18) [0.3356, 0.4129, 0.7473]\n", + " PeriodicSite: Li (17.97, 4.328, 4.206) [0.8849, 0.2131, 0.2071]\n", + " PeriodicSite: Li (17.28, 0.0171, 13.63) [0.8505, 0.0008352, 0.671]\n", + " PeriodicSite: Li (16.66, 13.45, 19.68) [0.82, 0.662, 0.969]\n", + " PeriodicSite: Li (19.95, 11.5, 11.83) [0.982, 0.5661, 0.5824]\n", + " PeriodicSite: Li (6.803, 3.603, 0.2154) [0.3349, 0.1774, 0.01061]\n", + " PeriodicSite: Li (5.131, 2.602, 10.34) [0.2526, 0.1281, 0.5089]\n", + " PeriodicSite: Li (9.719, 12.53, 2.332) [0.4785, 0.6169, 0.1148]\n", + " PeriodicSite: Li (7.786, 10.59, 10.86) [0.3833, 0.5212, 0.5345]\n", + " PeriodicSite: Li (15.48, 3.334, 2.122) [0.7623, 0.1641, 0.1045]\n", + " PeriodicSite: Li (15.91, 3.604, 11.09) [0.7834, 0.1774, 0.546]\n", + " PeriodicSite: Li (0.49, 12.4, 19.08) [0.02412, 0.6105, 0.9393]\n", + " PeriodicSite: Li (19.11, 13.48, 14.29) [0.9409, 0.6636, 0.7036]\n", + " PeriodicSite: Li (8.63, 0.621, 1.909) [0.4249, 0.03057, 0.09399]\n", + " PeriodicSite: Li (8.011, 2.065, 9.992) [0.3944, 0.1017, 0.4919]\n", + " PeriodicSite: Li (7.205, 12.14, 4.704) [0.3547, 0.5977, 0.2316]\n", + " PeriodicSite: Li (4.815, 13.88, 12.02) [0.2371, 0.6836, 0.5917]\n", + " PeriodicSite: Li (17.65, 3.523, 0.5503) [0.869, 0.1734, 0.0271]\n", + " PeriodicSite: Li (1.545, 6.944, 15.06) [0.07607, 0.3418, 0.7413]\n", + " PeriodicSite: Li (2.693, 15.26, 8.096) [0.1326, 0.7512, 0.3986]\n", + " PeriodicSite: Li (16.92, 13.1, 10.44) [0.8328, 0.6447, 0.5141]\n", + " PeriodicSite: Li (12.14, 7.11, 5.076) [0.5978, 0.35, 0.2499]\n", + " PeriodicSite: Li (5.096, 7.915, 17.17) [0.2509, 0.3897, 0.8452]\n", + " PeriodicSite: Li (6.014, 16.88, 8.914) [0.2961, 0.8309, 0.4388]\n", + " PeriodicSite: Li (6.913, 15.92, 20.01) [0.3403, 0.7839, 0.9853]\n", + " PeriodicSite: Li (15.5, 8.522, 6.504) [0.7629, 0.4196, 0.3202]\n", + " PeriodicSite: Li (2.8, 4.995, 18.4) [0.1379, 0.2459, 0.9057]\n", + " PeriodicSite: Li (17.1, 18.21, 5.367) [0.8416, 0.8963, 0.2642]\n", + " PeriodicSite: Li (20.18, 18.34, 18.69) [0.9933, 0.9031, 0.9204]\n", + " PeriodicSite: Li (7.016, 7.895, 5.09) [0.3454, 0.3887, 0.2506]\n", + " PeriodicSite: Li (8.072, 5.676, 16.43) [0.3974, 0.2795, 0.8089]\n", + " PeriodicSite: Li (8.278, 20.02, 7.755) [0.4075, 0.9857, 0.3818]\n", + " PeriodicSite: Li (7.168, 20.01, 16.04) [0.3529, 0.9849, 0.7897]\n", + " PeriodicSite: Li (18.21, 9.956, 7.846) [0.8967, 0.4901, 0.3863]\n", + " PeriodicSite: Li (18.23, 7.149, 15.39) [0.8974, 0.352, 0.7577]\n", + " PeriodicSite: Li (17.83, 19.98, 8.262) [0.8777, 0.9836, 0.4067]\n", + " PeriodicSite: Li (18.61, 15.43, 17.4) [0.916, 0.7598, 0.8565]\n", + " PeriodicSite: Li (5.477, 5.792, 8.289) [0.2696, 0.2851, 0.4081]\n", + " PeriodicSite: Li (7.06, 6.808, 19.43) [0.3476, 0.3352, 0.9567]\n", + " PeriodicSite: Li (9.136, 18.14, 9.986) [0.4498, 0.8932, 0.4916]\n", + " PeriodicSite: Li (11.33, 13.56, 15.77) [0.558, 0.6676, 0.7763]\n", + " PeriodicSite: Li (19.94, 7.587, 6.369) [0.9816, 0.3735, 0.3136]\n", + " PeriodicSite: Li (18.38, 5.029, 17.56) [0.9047, 0.2476, 0.8644]\n", + " PeriodicSite: Li (16.97, 17.28, 10.65) [0.8353, 0.8509, 0.5243]\n", + " PeriodicSite: Li (17.11, 17.75, 20.24) [0.8422, 0.874, 0.9962]\n", + " PeriodicSite: Li (10.14, 8.129, 8.155) [0.499, 0.4002, 0.4015]\n", + " PeriodicSite: Li (8.842, 8.717, 0.9781) [0.4353, 0.4291, 0.04816]\n", + " PeriodicSite: Li (5.632, 19.14, 7.405) [0.2773, 0.9424, 0.3645]\n", + " PeriodicSite: Li (7.397, 15.03, 2.541) [0.3641, 0.7401, 0.1251]\n", + " PeriodicSite: Li (15.6, 7.022, 8.935) [0.768, 0.3457, 0.4399]\n", + " PeriodicSite: Li (19.45, 9.202, 18.27) [0.9577, 0.453, 0.8994]\n", + " PeriodicSite: Li (15.3, 18.44, 7.529) [0.7535, 0.9078, 0.3706]\n", + " PeriodicSite: Li (16.81, 18.49, 15.87) [0.8275, 0.9101, 0.7813]\n", + " PeriodicSite: Li (6.492, 4.695, 11.67) [0.3196, 0.2311, 0.5743]\n", + " PeriodicSite: Li (7.635, 10.01, 17.71) [0.3759, 0.4927, 0.872]\n", + " PeriodicSite: Li (10.2, 17.46, 7.121) [0.502, 0.8597, 0.3506]\n", + " PeriodicSite: Li (10.59, 17.9, 2.172) [0.5213, 0.881, 0.1069]\n", + " PeriodicSite: Li (17.4, 8.311, 5.096) [0.8566, 0.4091, 0.2509]\n", + " PeriodicSite: Li (15.14, 3.392, 18.44) [0.7453, 0.167, 0.908]\n", + " PeriodicSite: Li (19.75, 17.44, 7.529) [0.9725, 0.8585, 0.3707]\n", + " PeriodicSite: Li (18.61, 0.1574, 2.122) [0.9162, 0.007742, 0.1045]\n", + " PeriodicSite: Li (3.568, 9.731, 2.991) [0.1757, 0.4791, 0.1473]\n", + " PeriodicSite: Li (10.1, 7.412, 17.63) [0.4974, 0.3649, 0.868]\n", + " PeriodicSite: Li (8.288, 15.4, 7.338) [0.408, 0.7579, 0.3613]\n", + " PeriodicSite: Li (8.157, 19.26, 19.42) [0.4016, 0.9483, 0.9563]\n", + " PeriodicSite: Li (17.84, 5.349, 8.03) [0.8784, 0.2633, 0.3953]\n", + " PeriodicSite: Li (16.78, 11.98, 16.18) [0.826, 0.5896, 0.7966]\n", + " PeriodicSite: Li (18.37, 14.36, 4.294) [0.9046, 0.7068, 0.2114]\n", + " PeriodicSite: Li (12.57, 0.5929, 14.07) [0.6189, 0.02918, 0.6925]\n", + " PeriodicSite: Cl (7.51, 12.67, 11.76) [0.3697, 0.6238, 0.5792]\n", + " PeriodicSite: Cl (2.365, 12.26, 17.92) [0.1164, 0.6038, 0.8822]\n", + " PeriodicSite: Cl (12.85, 17.81, 12.48) [0.6326, 0.8769, 0.6146]\n", + " PeriodicSite: Cl (17.88, 8.075, 17.39) [0.88, 0.3975, 0.856]\n", + " PeriodicSite: Cl (7.337, 2.619, 2.548) [0.3612, 0.1289, 0.1254]\n", + " PeriodicSite: Cl (7.353, 7.475, 7.438) [0.362, 0.368, 0.3662]\n", + " PeriodicSite: Cl (12.75, 12.69, 7.266) [0.6276, 0.6249, 0.3577]\n", + " PeriodicSite: Cl (2.81, 7.763, 2.542) [0.1383, 0.3822, 0.1251]\n", + " PeriodicSite: Cl (2.337, 7.324, 12.86) [0.1151, 0.3606, 0.6329]\n", + " PeriodicSite: Cl (12.48, 12.79, 17.47) [0.6142, 0.6298, 0.8599]\n", + " PeriodicSite: Cl (18.03, 17.77, 17.97) [0.8875, 0.8747, 0.8845]\n", + " PeriodicSite: Cl (2.387, 2.172, 7.614) [0.1175, 0.1069, 0.3748]\n", + " PeriodicSite: Cl (13.04, 2.604, 18.03) [0.6419, 0.1282, 0.8877]\n", + " PeriodicSite: Cl (12.74, 7.607, 2.793) [0.6274, 0.3745, 0.1375]\n", + " PeriodicSite: Cl (17.53, 2.816, 12.71) [0.8629, 0.1386, 0.6258]\n", + " PeriodicSite: Cl (7.142, 17.43, 18.05) [0.3516, 0.8583, 0.8884]\n", + " PeriodicSite: Cl (0.06985, 19.94, 0.1359) [0.00343, 0.9815, 0.006693]\n", + " PeriodicSite: Cl (19.77, 20.22, 10.36) [0.9735, 0.9953, 0.5102]\n", + " PeriodicSite: Cl (20.23, 10.39, 0.4321) [0.9959, 0.5114, 0.02128]\n", + " PeriodicSite: Cl (19.96, 9.663, 9.929) [0.9825, 0.4757, 0.4888]\n", + " PeriodicSite: Cl (10.3, 20.29, 0.3029) [0.5071, 0.9988, 0.01492]\n", + " PeriodicSite: Cl (9.939, 0.4025, 9.439) [0.4893, 0.01981, 0.4647]\n", + " PeriodicSite: Cl (10.09, 10.1, 19.77) [0.4969, 0.4975, 0.9735]\n", + " PeriodicSite: Cl (9.878, 9.986, 9.859) [0.4863, 0.4916, 0.4854]\n", + " PeriodicSite: Cl (20.11, 5.395, 5.042) [0.9901, 0.2656, 0.2482]\n", + " PeriodicSite: Cl (19.77, 5.419, 15.5) [0.9731, 0.2668, 0.7632]\n", + " PeriodicSite: Cl (0.1349, 15.55, 5.842) [0.006635, 0.7656, 0.2876]\n", + " PeriodicSite: Cl (0.3402, 15.04, 15.1) [0.01674, 0.7406, 0.7436]\n", + " PeriodicSite: Cl (10.18, 5.289, 5.126) [0.501, 0.2604, 0.2524]\n", + " PeriodicSite: Cl (10.26, 5.772, 15.82) [0.5053, 0.2842, 0.779]\n", + " PeriodicSite: Cl (10.7, 15.45, 5.884) [0.5268, 0.7606, 0.2897]\n", + " PeriodicSite: Cl (10.01, 15.97, 15.49) [0.4926, 0.7865, 0.7626]\n", + " PeriodicSite: S (5.077, 20.02, 5.131) [0.2499, 0.9855, 0.2526]\n", + " PeriodicSite: S (5.025, 20.25, 14.9) [0.2474, 0.9971, 0.7337]\n", + " PeriodicSite: S (5.432, 10.06, 4.956) [0.2674, 0.4951, 0.244]\n", + " PeriodicSite: S (4.957, 9.92, 15.04) [0.244, 0.4884, 0.7405]\n", + " PeriodicSite: S (15.06, 20.04, 5.606) [0.7415, 0.9867, 0.276]\n", + " PeriodicSite: S (15.43, 0.1973, 15.17) [0.7596, 0.009705, 0.7469]\n", + " PeriodicSite: S (15.22, 10.12, 4.933) [0.7491, 0.4981, 0.2428]\n", + " PeriodicSite: S (15.08, 10.39, 14.88) [0.7425, 0.5114, 0.7327]\n", + " PeriodicSite: S (4.946, 4.839, 20.27) [0.2435, 0.2382, 0.9977]\n", + " PeriodicSite: S (4.345, 4.869, 10.35) [0.2139, 0.2397, 0.5094]\n", + " PeriodicSite: S (4.99, 15.08, 0.2256) [0.2456, 0.7422, 0.01111]\n", + " PeriodicSite: S (4.81, 14.99, 9.999) [0.2368, 0.738, 0.4923]\n", + " PeriodicSite: S (15.15, 4.83, 0.1503) [0.746, 0.2378, 0.007402]\n", + " PeriodicSite: S (14.6, 5.297, 10.22) [0.7187, 0.2608, 0.503]\n", + " PeriodicSite: S (15.24, 15.3, 0.1712) [0.7502, 0.753, 0.008432]\n", + " PeriodicSite: S (15.32, 15.35, 10.37) [0.7542, 0.7556, 0.5108]\n", + " PeriodicSite: S (8.649, 4.055, 8.96) [0.4258, 0.1996, 0.4411]\n", + " PeriodicSite: S (9.105, 4.065, 19.12) [0.4483, 0.2001, 0.9415]\n", + " PeriodicSite: S (9.507, 13.86, 8.895) [0.468, 0.6823, 0.4379]\n", + " PeriodicSite: S (8.91, 14.07, 19.16) [0.4387, 0.6926, 0.9435]\n", + " PeriodicSite: S (19.26, 3.364, 8.853) [0.9483, 0.1656, 0.4359]\n", + " PeriodicSite: S (19.71, 3.881, 19.18) [0.9702, 0.191, 0.9445]\n", + " PeriodicSite: S (19.13, 14.0, 8.85) [0.9417, 0.6892, 0.4357]\n", + " PeriodicSite: S (18.91, 14.1, 19.18) [0.9307, 0.6943, 0.9443]\n", + " PeriodicSite: S (4.083, 1.214, 1.362) [0.201, 0.05975, 0.06705]\n", + " PeriodicSite: S (3.497, 0.5136, 11.22) [0.1721, 0.02528, 0.5522]\n", + " PeriodicSite: S (4.16, 11.17, 1.121) [0.2048, 0.5498, 0.05518]\n", + " PeriodicSite: S (3.443, 11.19, 11.16) [0.1695, 0.5508, 0.5496]\n", + " PeriodicSite: S (14.28, 1.411, 1.319) [0.7031, 0.06946, 0.06493]\n", + " PeriodicSite: S (13.64, 1.646, 11.63) [0.6715, 0.08101, 0.5726]\n", + " PeriodicSite: S (13.67, 11.27, 0.9008) [0.6729, 0.5548, 0.04435]\n", + " PeriodicSite: S (14.03, 11.33, 11.17) [0.6908, 0.5579, 0.5498]\n", + " PeriodicSite: S (6.034, 0.904, 8.767) [0.2971, 0.0445, 0.4316]\n", + " PeriodicSite: S (6.203, 1.177, 18.98) [0.3054, 0.05796, 0.9346]\n", + " PeriodicSite: S (6.128, 11.3, 8.915) [0.3017, 0.5563, 0.4389]\n", + " PeriodicSite: S (6.063, 11.38, 18.86) [0.2985, 0.5601, 0.9284]\n", + " PeriodicSite: S (16.37, 1.649, 9.63) [0.8058, 0.08117, 0.4741]\n", + " PeriodicSite: S (16.54, 1.649, 19.19) [0.8145, 0.08118, 0.9447]\n", + " PeriodicSite: S (16.31, 11.52, 8.545) [0.8028, 0.5671, 0.4207]\n", + " PeriodicSite: S (16.08, 11.25, 18.66) [0.7917, 0.5539, 0.9187]\n", + " PeriodicSite: S (1.374, 4.317, 1.493) [0.06765, 0.2125, 0.07351]\n", + " PeriodicSite: S (0.6781, 3.871, 11.55) [0.03338, 0.1906, 0.5686]\n", + " PeriodicSite: S (1.147, 14.04, 0.9064) [0.05644, 0.691, 0.04463]\n", + " PeriodicSite: S (1.026, 13.8, 11.17) [0.05049, 0.6796, 0.5497]\n", + " PeriodicSite: S (11.07, 3.85, 1.498) [0.5452, 0.1895, 0.07374]\n", + " PeriodicSite: S (11.09, 4.152, 11.41) [0.546, 0.2044, 0.5616]\n", + " PeriodicSite: S (11.25, 14.36, 1.558) [0.5536, 0.7071, 0.07671]\n", + " PeriodicSite: S (11.66, 14.41, 11.6) [0.574, 0.7095, 0.5711]\n", + " PeriodicSite: S (2.803, 2.625, 17.6) [0.138, 0.1292, 0.8665]\n", + " PeriodicSite: S (2.478, 12.97, 7.592) [0.122, 0.6384, 0.3737]\n", + " PeriodicSite: S (12.83, 2.614, 7.809) [0.6318, 0.1287, 0.3845]\n", + " PeriodicSite: S (9.043, 8.873, 3.642) [0.4452, 0.4368, 0.1793]\n", + " PeriodicSite: S (8.926, 9.203, 14.02) [0.4394, 0.4531, 0.6904]\n", + " PeriodicSite: S (9.036, 19.39, 3.841) [0.4448, 0.9545, 0.1891]\n", + " PeriodicSite: S (8.859, 19.26, 14.18) [0.4361, 0.9481, 0.6981]\n", + " PeriodicSite: S (19.48, 9.057, 3.958) [0.9589, 0.4459, 0.1949]\n", + " PeriodicSite: S (19.31, 8.933, 13.67) [0.9506, 0.4398, 0.6729]\n", + " PeriodicSite: S (18.99, 18.97, 4.134) [0.935, 0.934, 0.2035]\n", + " PeriodicSite: S (18.96, 18.86, 14.45) [0.9336, 0.9286, 0.7112]\n", + " PeriodicSite: S (3.538, 5.622, 6.4) [0.1742, 0.2768, 0.3151]\n", + " PeriodicSite: S (3.828, 6.082, 16.22) [0.1884, 0.2994, 0.7983]\n", + " PeriodicSite: S (4.454, 16.44, 6.677) [0.2193, 0.8092, 0.3287]\n", + " PeriodicSite: S (3.466, 16.05, 16.26) [0.1706, 0.7902, 0.8007]\n", + " PeriodicSite: S (13.93, 6.21, 6.392) [0.6858, 0.3057, 0.3147]\n", + " PeriodicSite: S (14.4, 6.483, 16.92) [0.7089, 0.3191, 0.8328]\n", + " PeriodicSite: S (14.2, 16.66, 5.964) [0.6989, 0.8204, 0.2936]\n", + " PeriodicSite: S (14.3, 16.95, 16.67) [0.7042, 0.8346, 0.8205]\n", + " PeriodicSite: S (5.824, 5.841, 3.899) [0.2867, 0.2876, 0.192]\n", + " PeriodicSite: S (6.19, 6.135, 13.82) [0.3047, 0.302, 0.6804]\n", + " PeriodicSite: S (6.471, 16.53, 4.154) [0.3186, 0.8137, 0.2045]\n", + " PeriodicSite: S (6.137, 16.1, 14.14) [0.3021, 0.7926, 0.6963]\n", + " PeriodicSite: S (16.16, 6.454, 3.71) [0.7954, 0.3177, 0.1826]\n", + " PeriodicSite: S (16.26, 6.463, 14.06) [0.8006, 0.3182, 0.6922]\n", + " PeriodicSite: S (17.01, 16.3, 3.844) [0.8375, 0.8023, 0.1893]\n", + " PeriodicSite: S (16.56, 16.5, 14.11) [0.8154, 0.8121, 0.6946]\n", + " PeriodicSite: S (1.172, 9.534, 6.428) [0.0577, 0.4694, 0.3164]\n", + " PeriodicSite: S (0.9945, 8.804, 16.35) [0.04896, 0.4334, 0.8048]\n", + " PeriodicSite: S (1.221, 18.82, 6.317) [0.06009, 0.9264, 0.311]\n", + " PeriodicSite: S (1.201, 19.16, 16.67) [0.05913, 0.9434, 0.8209]\n", + " PeriodicSite: S (11.43, 8.962, 6.136) [0.5627, 0.4412, 0.3021]\n", + " PeriodicSite: S (11.23, 9.321, 16.6) [0.5528, 0.4589, 0.8172]\n", + " PeriodicSite: S (11.36, 19.21, 6.167) [0.5591, 0.9457, 0.3036]\n", + " PeriodicSite: S (11.67, 19.24, 15.78) [0.5745, 0.9473, 0.777]\n", + " PeriodicSite: S (2.614, 17.79, 2.588) [0.1287, 0.8756, 0.1274]\n", + " PeriodicSite: S (2.315, 17.66, 12.96) [0.114, 0.8695, 0.6379]\n", + " PeriodicSite: S (12.43, 7.745, 12.62) [0.612, 0.3813, 0.6215]\n", + " PeriodicSite: S (12.95, 17.94, 2.368) [0.6374, 0.8832, 0.1166]\n", + " PeriodicSite: S (4.104, 3.116, 4.417) [0.2021, 0.1534, 0.2174]\n", + " PeriodicSite: S (3.757, 3.786, 13.96) [0.185, 0.1864, 0.6872]\n", + " PeriodicSite: S (4.209, 14.27, 3.905) [0.2072, 0.7025, 0.1922]\n", + " PeriodicSite: S (4.179, 13.27, 14.6) [0.2057, 0.6532, 0.7187]\n", + " PeriodicSite: S (13.89, 4.123, 4.04) [0.6838, 0.203, 0.1989]\n", + " PeriodicSite: S (13.92, 4.249, 14.33) [0.6855, 0.2092, 0.7057]\n", + " PeriodicSite: S (13.98, 14.29, 3.879) [0.6884, 0.7035, 0.191]\n", + " PeriodicSite: S (13.87, 14.35, 14.47) [0.6828, 0.7066, 0.7125]\n", + " PeriodicSite: S (8.811, 1.422, 6.104) [0.4338, 0.06998, 0.3005]\n", + " PeriodicSite: S (8.967, 0.8777, 17.02) [0.4414, 0.04321, 0.838]\n", + " PeriodicSite: S (9.072, 11.56, 6.036) [0.4466, 0.569, 0.2971]\n", + " PeriodicSite: S (8.923, 11.79, 16.23) [0.4393, 0.5802, 0.7991]\n", + " PeriodicSite: S (19.27, 0.8866, 6.608) [0.9484, 0.04364, 0.3253]\n", + " PeriodicSite: S (19.38, 1.361, 16.6) [0.954, 0.06699, 0.8174]\n", + " PeriodicSite: S (19.11, 11.67, 6.03) [0.9409, 0.5747, 0.2969]\n", + " PeriodicSite: S (19.18, 11.35, 16.09) [0.9441, 0.5586, 0.7923]\n", + " PeriodicSite: S (1.194, 0.9682, 4.105) [0.05878, 0.04767, 0.2021]\n", + " PeriodicSite: S (0.9764, 1.289, 14.09) [0.04808, 0.06347, 0.6938]\n", + " PeriodicSite: S (1.473, 11.61, 3.837) [0.07252, 0.5714, 0.1889]\n", + " PeriodicSite: S (1.395, 11.34, 14.02) [0.06866, 0.5585, 0.69]\n", + " PeriodicSite: S (11.57, 1.427, 4.111) [0.5694, 0.07027, 0.2024]\n", + " PeriodicSite: S (10.74, 1.898, 14.39) [0.5285, 0.09341, 0.7083]\n", + " PeriodicSite: S (11.63, 11.1, 3.718) [0.5727, 0.5463, 0.183]\n", + " PeriodicSite: S (11.37, 11.44, 14.02) [0.5595, 0.5634, 0.6904]\n", + " PeriodicSite: S (6.421, 3.828, 6.665) [0.3161, 0.1885, 0.3281]\n", + " PeriodicSite: S (6.465, 3.838, 16.25) [0.3183, 0.1889, 0.7998]\n", + " PeriodicSite: S (6.505, 13.84, 6.35) [0.3203, 0.6812, 0.3126]\n", + " PeriodicSite: S (6.157, 14.27, 16.92) [0.3031, 0.7027, 0.8331]\n", + " PeriodicSite: S (16.65, 4.175, 6.085) [0.8199, 0.2055, 0.2996]\n", + " PeriodicSite: S (16.51, 4.077, 16.54) [0.8128, 0.2007, 0.8144]\n", + " PeriodicSite: S (16.21, 13.97, 6.195) [0.7983, 0.6875, 0.305]\n", + " PeriodicSite: S (16.25, 14.15, 16.68) [0.7999, 0.6965, 0.8211]\n", + " PeriodicSite: S (6.992, 2.291, 12.32) [0.3442, 0.1128, 0.6065]\n", + " PeriodicSite: S (7.412, 12.6, 2.47) [0.3649, 0.6201, 0.1216]\n", + " PeriodicSite: S (17.9, 2.538, 2.717) [0.8814, 0.1249, 0.1338]\n", + " PeriodicSite: S (17.69, 12.6, 2.56) [0.8708, 0.6205, 0.126]\n", + " PeriodicSite: S (17.66, 12.39, 12.38) [0.8694, 0.6102, 0.6097]\n", + " PeriodicSite: S (3.843, 9.003, 8.744) [0.1892, 0.4432, 0.4305]\n", + " PeriodicSite: S (3.846, 9.052, 18.81) [0.1894, 0.4456, 0.9258]\n", + " PeriodicSite: S (3.987, 18.61, 8.864) [0.1963, 0.916, 0.4364]\n", + " PeriodicSite: S (3.634, 19.09, 19.51) [0.1789, 0.9401, 0.9603]\n", + " PeriodicSite: S (13.99, 8.981, 8.756) [0.6886, 0.4422, 0.4311]\n", + " PeriodicSite: S (13.94, 8.814, 18.91) [0.6863, 0.4339, 0.931]\n", + " PeriodicSite: S (14.15, 19.54, 9.259) [0.6967, 0.9621, 0.4559]\n", + " PeriodicSite: S (14.73, 19.34, 19.11) [0.725, 0.9522, 0.9409]\n", + " PeriodicSite: S (8.801, 6.365, 1.096) [0.4333, 0.3133, 0.05398]\n", + " PeriodicSite: S (8.558, 6.544, 11.22) [0.4213, 0.3222, 0.5522]\n", + " PeriodicSite: S (8.626, 16.58, 1.017) [0.4247, 0.8161, 0.0501]\n", + " PeriodicSite: S (8.988, 16.2, 11.17) [0.4425, 0.7977, 0.5499]\n", + " PeriodicSite: S (18.86, 5.913, 1.285) [0.9285, 0.2911, 0.06329]\n", + " PeriodicSite: S (18.57, 5.978, 10.96) [0.9144, 0.2943, 0.5397]\n", + " PeriodicSite: S (19.15, 16.5, 1.256) [0.943, 0.8121, 0.06184]\n", + " PeriodicSite: S (19.26, 16.32, 11.69) [0.948, 0.8035, 0.5757]\n", + " PeriodicSite: S (0.8425, 6.151, 9.091) [0.04148, 0.3028, 0.4475]\n", + " PeriodicSite: S (1.345, 6.791, 19.59) [0.06624, 0.3343, 0.9645]\n", + " PeriodicSite: S (0.9191, 16.58, 9.259) [0.04524, 0.8163, 0.4558]\n", + " PeriodicSite: S (1.306, 16.6, 19.37) [0.06428, 0.8174, 0.9538]\n", + " PeriodicSite: S (10.97, 6.27, 8.84) [0.5402, 0.3087, 0.4352]\n", + " PeriodicSite: S (11.49, 6.491, 19.54) [0.5655, 0.3196, 0.962]\n", + " PeriodicSite: S (11.44, 16.63, 8.981) [0.5634, 0.8185, 0.4422]\n", + " PeriodicSite: S (11.18, 16.73, 19.32) [0.5504, 0.8238, 0.9513]\n", + " PeriodicSite: S (6.385, 8.73, 0.781) [0.3143, 0.4298, 0.03845]\n", + " PeriodicSite: S (6.043, 8.977, 11.31) [0.2975, 0.4419, 0.5566]\n", + " PeriodicSite: S (6.531, 19.24, 1.171) [0.3215, 0.9473, 0.05767]\n", + " PeriodicSite: S (6.252, 18.63, 11.26) [0.3078, 0.9169, 0.5545]\n", + " PeriodicSite: S (16.27, 9.065, 1.006) [0.8009, 0.4463, 0.04953]\n", + " PeriodicSite: S (16.42, 8.943, 10.96) [0.8083, 0.4403, 0.5397]\n", + " PeriodicSite: S (16.73, 19.57, 1.323) [0.8237, 0.9635, 0.06513]\n", + " PeriodicSite: S (16.04, 19.21, 11.85) [0.7898, 0.9456, 0.5835]\n", + " PeriodicSite: S (7.475, 7.86, 17.34) [0.368, 0.387, 0.8537]\n", + " PeriodicSite: S (7.819, 17.86, 7.759) [0.3849, 0.8792, 0.382]\n", + " PeriodicSite: S (17.57, 7.792, 7.367) [0.8649, 0.3836, 0.3627]\n", + " PeriodicSite: S (17.46, 17.82, 7.72) [0.8597, 0.8774, 0.3801]\n", + " PeriodicSite: P (5.099, 20.31, 0.01364) [0.251, 0.9998, 0.0006747]\n", + " PeriodicSite: P (4.982, 19.84, 10.05) [0.2452, 0.9766, 0.495]\n", + " PeriodicSite: P (5.124, 10.02, 20.05) [0.2523, 0.4931, 0.9871]\n", + " PeriodicSite: P (4.85, 10.09, 10.03) [0.2388, 0.4969, 0.4939]\n", + " PeriodicSite: P (15.56, 0.4262, 0.02364) [0.7662, 0.02097, 0.001168]\n", + " PeriodicSite: P (15.22, 0.4296, 10.75) [0.7491, 0.02114, 0.5291]\n", + " PeriodicSite: P (15.05, 10.09, 19.92) [0.7412, 0.4966, 0.9805]\n", + " PeriodicSite: P (15.2, 10.13, 9.787) [0.7482, 0.4985, 0.4818]\n", + " PeriodicSite: P (4.952, 4.715, 5.345) [0.2438, 0.2321, 0.2631]\n", + " PeriodicSite: P (5.118, 4.874, 15.05) [0.252, 0.24, 0.741]\n", + " PeriodicSite: P (5.399, 15.22, 5.322) [0.2658, 0.7492, 0.262]\n", + " PeriodicSite: P (4.988, 14.94, 15.34) [0.2456, 0.7355, 0.7552]\n", + " PeriodicSite: P (15.15, 5.356, 5.107) [0.7458, 0.2637, 0.2515]\n", + " PeriodicSite: P (15.25, 5.297, 15.49) [0.7508, 0.2608, 0.7625]\n", + " PeriodicSite: P (15.48, 15.41, 4.945) [0.7621, 0.7584, 0.2435]\n", + " PeriodicSite: P (15.22, 15.55, 15.4) [0.7495, 0.7654, 0.7582]\n", + " PeriodicSite: P (0.08372, 20.12, 5.271) [0.004114, 0.9905, 0.2595]\n", + " PeriodicSite: P (0.001554, 20.23, 15.46) [7.141e-05, 0.9961, 0.7613]\n", + " PeriodicSite: P (0.123, 10.55, 5.02) [0.006054, 0.5193, 0.2471]\n", + " PeriodicSite: P (0.07489, 10.01, 14.91) [0.003686, 0.4928, 0.7339]\n", + " PeriodicSite: P (10.16, 0.1811, 5.134) [0.5004, 0.008911, 0.2527]\n", + " PeriodicSite: P (10.07, 0.2121, 15.41) [0.4958, 0.01044, 0.7589]\n", + " PeriodicSite: P (10.16, 10.19, 4.855) [0.5, 0.5017, 0.239]\n", + " PeriodicSite: P (10.07, 10.45, 15.28) [0.4958, 0.5146, 0.7523]\n", + " PeriodicSite: P (0.181, 5.305, 0.2412) [0.008906, 0.2612, 0.01188]\n", + " PeriodicSite: P (20.0, 4.762, 10.1) [0.9848, 0.2344, 0.4974]\n", + " PeriodicSite: P (20.18, 15.36, 0.01177) [0.9933, 0.7562, 0.0005861]\n", + " PeriodicSite: P (20.19, 15.09, 10.25) [0.9938, 0.7429, 0.5047]\n", + " PeriodicSite: P (10.08, 5.201, 0.1025) [0.4961, 0.256, 0.005051]\n", + " PeriodicSite: P (9.826, 5.291, 10.31) [0.4838, 0.2605, 0.5077]\n", + " PeriodicSite: P (10.03, 15.38, 0.1445) [0.4938, 0.757, 0.007116]\n", + " PeriodicSite: P (10.45, 15.29, 10.22) [0.5143, 0.7527, 0.5031],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.582, 3.304, 5.692) [0.07789, 0.1627, 0.2802]\n", + " PeriodicSite: Li (0.5109, 3.618, 17.05) [0.02516, 0.1781, 0.8394]\n", + " PeriodicSite: Li (2.947, 13.25, 9.921) [0.1451, 0.6522, 0.4884]\n", + " PeriodicSite: Li (2.233, 14.04, 16.02) [0.1099, 0.6914, 0.7885]\n", + " PeriodicSite: Li (14.48, 0.9929, 7.633) [0.713, 0.04888, 0.3758]\n", + " PeriodicSite: Li (11.41, 3.773, 15.98) [0.5618, 0.1858, 0.7869]\n", + " PeriodicSite: Li (15.54, 12.21, 3.18) [0.7652, 0.6009, 0.1565]\n", + " PeriodicSite: Li (15.59, 8.891, 17.38) [0.7674, 0.4377, 0.8558]\n", + " PeriodicSite: Li (3.0, 4.242, 8.266) [0.1477, 0.2089, 0.4069]\n", + " PeriodicSite: Li (3.79, 0.7758, 17.54) [0.1866, 0.03819, 0.8634]\n", + " PeriodicSite: Li (5.636, 9.229, 7.234) [0.2775, 0.4543, 0.3562]\n", + " PeriodicSite: Li (7.244, 10.69, 14.12) [0.3566, 0.5265, 0.6952]\n", + " PeriodicSite: Li (12.2, 4.433, 6.229) [0.6007, 0.2182, 0.3066]\n", + " PeriodicSite: Li (13.97, 6.178, 19.06) [0.6875, 0.3041, 0.9385]\n", + " PeriodicSite: Li (10.09, 8.285, 11.49) [0.497, 0.4079, 0.5655]\n", + " PeriodicSite: Li (11.9, 17.29, 16.36) [0.5858, 0.851, 0.8056]\n", + " PeriodicSite: Li (3.016, 0.5831, 5.801) [0.1485, 0.02871, 0.2856]\n", + " PeriodicSite: Li (2.972, 2.317, 15.34) [0.1463, 0.1141, 0.755]\n", + " PeriodicSite: Li (3.419, 11.08, 6.455) [0.1683, 0.5455, 0.3178]\n", + " PeriodicSite: Li (5.423, 11.95, 15.95) [0.267, 0.5882, 0.7853]\n", + " PeriodicSite: Li (12.11, 0.9579, 9.687) [0.5963, 0.04715, 0.4769]\n", + " PeriodicSite: Li (10.38, 1.929, 18.5) [0.5111, 0.09496, 0.9109]\n", + " PeriodicSite: Li (13.99, 13.69, 9.904) [0.6885, 0.6741, 0.4876]\n", + " PeriodicSite: Li (10.36, 12.1, 18.32) [0.51, 0.5957, 0.902]\n", + " PeriodicSite: Li (0.5691, 1.059, 8.343) [0.02802, 0.05215, 0.4107]\n", + " PeriodicSite: Li (3.307, 2.873, 0.0002215) [0.1628, 0.1414, 1.204e-05]\n", + " PeriodicSite: Li (0.1884, 13.71, 7.47) [0.009272, 0.675, 0.3678]\n", + " PeriodicSite: Li (4.226, 13.57, 19.2) [0.2081, 0.6679, 0.9451]\n", + " PeriodicSite: Li (12.78, 1.1, 5.606) [0.629, 0.05413, 0.276]\n", + " PeriodicSite: Li (14.23, 0.4176, 17.44) [0.7004, 0.02055, 0.8586]\n", + " PeriodicSite: Li (10.59, 11.74, 8.213) [0.5211, 0.5779, 0.4044]\n", + " PeriodicSite: Li (14.13, 14.37, 18.56) [0.6955, 0.7073, 0.9138]\n", + " PeriodicSite: Li (6.265, 1.421, 6.119) [0.3084, 0.06993, 0.3013]\n", + " PeriodicSite: Li (0.8248, 1.264, 18.82) [0.04061, 0.06223, 0.9263]\n", + " PeriodicSite: Li (5.136, 13.35, 8.688) [0.2528, 0.6574, 0.4277]\n", + " PeriodicSite: Li (1.614, 17.46, 15.3) [0.07948, 0.8593, 0.7532]\n", + " PeriodicSite: Li (14.47, 4.268, 8.178) [0.7125, 0.2101, 0.4026]\n", + " PeriodicSite: Li (13.15, 3.121, 0.2739) [0.6474, 0.1536, 0.01349]\n", + " PeriodicSite: Li (16.94, 15.44, 8.231) [0.8339, 0.7603, 0.4052]\n", + " PeriodicSite: Li (13.46, 14.28, 1.228) [0.6626, 0.7028, 0.06045]\n", + " PeriodicSite: Li (5.795, 0.546, 2.959) [0.2853, 0.02688, 0.1457]\n", + " PeriodicSite: Li (5.12, 3.564, 18.03) [0.2521, 0.1755, 0.8874]\n", + " PeriodicSite: Li (2.051, 13.63, 5.618) [0.101, 0.6708, 0.2766]\n", + " PeriodicSite: Li (20.02, 12.26, 2.411) [0.9858, 0.6036, 0.1187]\n", + " PeriodicSite: Li (10.28, 2.138, 8.073) [0.506, 0.1053, 0.3974]\n", + " PeriodicSite: Li (17.34, 0.07345, 17.32) [0.8535, 0.003609, 0.8527]\n", + " PeriodicSite: Li (15.06, 12.22, 6.843) [0.7414, 0.6018, 0.3369]\n", + " PeriodicSite: Li (13.29, 10.65, 15.94) [0.6545, 0.5244, 0.7847]\n", + " PeriodicSite: Li (2.985, 10.34, 16.99) [0.1469, 0.5088, 0.8365]\n", + " PeriodicSite: Li (1.545, 10.98, 8.83) [0.07608, 0.5407, 0.4347]\n", + " PeriodicSite: Li (4.484, 16.6, 18.72) [0.2207, 0.8171, 0.9216]\n", + " PeriodicSite: Li (2.92, 16.81, 10.63) [0.1438, 0.8276, 0.5233]\n", + " PeriodicSite: Li (14.05, 5.532, 2.361) [0.6915, 0.2723, 0.1163]\n", + " PeriodicSite: Li (14.6, 7.879, 14.26) [0.7186, 0.3879, 0.7019]\n", + " PeriodicSite: Li (12.29, 15.28, 7.309) [0.6052, 0.7524, 0.3598]\n", + " PeriodicSite: Li (14.65, 18.31, 13.9) [0.7211, 0.9013, 0.6845]\n", + " PeriodicSite: Li (5.083, 6.979, 1.722) [0.2502, 0.3436, 0.08476]\n", + " PeriodicSite: Li (2.779, 5.027, 11.52) [0.1368, 0.2475, 0.5671]\n", + " PeriodicSite: Li (4.391, 17.91, 1.243) [0.2162, 0.8817, 0.06122]\n", + " PeriodicSite: Li (4.299, 18.13, 15.08) [0.2116, 0.8924, 0.7424]\n", + " PeriodicSite: Li (17.41, 6.925, 20.06) [0.8572, 0.3409, 0.9876]\n", + " PeriodicSite: Li (12.36, 5.547, 12.7) [0.6086, 0.2731, 0.625]\n", + " PeriodicSite: Li (13.33, 18.51, 4.738) [0.6565, 0.9114, 0.2333]\n", + " PeriodicSite: Li (10.49, 17.07, 13.35) [0.5165, 0.8406, 0.657]\n", + " PeriodicSite: Li (1.995, 8.749, 0.2677) [0.09823, 0.4307, 0.01318]\n", + " PeriodicSite: Li (3.661, 6.768, 9.034) [0.1802, 0.3332, 0.4448]\n", + " PeriodicSite: Li (2.565, 15.36, 2.574) [0.1263, 0.756, 0.1267]\n", + " PeriodicSite: Li (5.174, 16.68, 12.18) [0.2547, 0.8213, 0.5998]\n", + " PeriodicSite: Li (12.12, 9.42, 0.3163) [0.5969, 0.4637, 0.01557]\n", + " PeriodicSite: Li (11.6, 7.46, 14.76) [0.5712, 0.3673, 0.7269]\n", + " PeriodicSite: Li (11.01, 16.19, 3.035) [0.5419, 0.7971, 0.1494]\n", + " PeriodicSite: Li (14.53, 15.7, 12.39) [0.7154, 0.7731, 0.6102]\n", + " PeriodicSite: Li (0.8408, 6.009, 2.992) [0.04139, 0.2958, 0.1473]\n", + " PeriodicSite: Li (18.4, 8.106, 9.496) [0.906, 0.3991, 0.4675]\n", + " PeriodicSite: Li (0.8639, 17.52, 4.446) [0.04252, 0.8627, 0.2189]\n", + " PeriodicSite: Li (0.1318, 18.29, 12.16) [0.006482, 0.9003, 0.5988]\n", + " PeriodicSite: Li (10.31, 6.688, 2.905) [0.5074, 0.3293, 0.143]\n", + " PeriodicSite: Li (13.0, 10.2, 13.22) [0.64, 0.502, 0.651]\n", + " PeriodicSite: Li (13.2, 17.18, 0.07326) [0.6499, 0.846, 0.003612]\n", + " PeriodicSite: Li (8.337, 15.51, 16.75) [0.4104, 0.7636, 0.8245]\n", + " PeriodicSite: Li (3.941, 7.61, 4.785) [0.194, 0.3747, 0.2356]\n", + " PeriodicSite: Li (0.1783, 8.257, 11.4) [0.00878, 0.4065, 0.5611]\n", + " PeriodicSite: Li (1.78, 18.73, 0.5728) [0.0876, 0.9221, 0.0282]\n", + " PeriodicSite: Li (3.099, 19.87, 13.11) [0.1526, 0.978, 0.6455]\n", + " PeriodicSite: Li (13.89, 9.585, 2.94) [0.684, 0.4719, 0.1447]\n", + " PeriodicSite: Li (13.11, 7.381, 10.32) [0.6456, 0.3634, 0.5082]\n", + " PeriodicSite: Li (12.46, 20.11, 2.103) [0.6136, 0.9899, 0.1035]\n", + " PeriodicSite: Li (13.46, 17.27, 10.39) [0.6625, 0.8501, 0.5115]\n", + " PeriodicSite: Li (5.187, 4.231, 2.443) [0.2554, 0.2083, 0.1203]\n", + " PeriodicSite: Li (4.54, 7.694, 13.26) [0.2235, 0.3788, 0.6527]\n", + " PeriodicSite: Li (4.521, 17.9, 4.173) [0.2226, 0.8811, 0.2054]\n", + " PeriodicSite: Li (1.489, 15.4, 12.93) [0.07331, 0.7582, 0.6366]\n", + " PeriodicSite: Li (12.59, 10.86, 5.66) [0.62, 0.5345, 0.2787]\n", + " PeriodicSite: Li (15.23, 7.145, 12.03) [0.75, 0.3518, 0.5924]\n", + " PeriodicSite: Li (15.04, 17.35, 1.962) [0.7405, 0.8543, 0.09659]\n", + " PeriodicSite: Li (15.68, 2.237, 14.38) [0.7719, 0.1101, 0.7078]\n", + " PeriodicSite: Li (9.287, 4.097, 3.155) [0.4572, 0.2017, 0.1553]\n", + " PeriodicSite: Li (8.316, 2.945, 14.05) [0.4094, 0.145, 0.6919]\n", + " PeriodicSite: Li (6.446, 10.65, 2.339) [0.3174, 0.5245, 0.1152]\n", + " PeriodicSite: Li (3.318, 10.23, 13.48) [0.1634, 0.5039, 0.6636]\n", + " PeriodicSite: Li (17.02, 1.656, 5.415) [0.8382, 0.08153, 0.2666]\n", + " PeriodicSite: Li (12.48, 4.375, 9.589) [0.6146, 0.2154, 0.4721]\n", + " PeriodicSite: Li (18.22, 10.79, 1.414) [0.897, 0.5313, 0.06964]\n", + " PeriodicSite: Li (17.53, 10.18, 12.92) [0.8631, 0.501, 0.6361]\n", + " PeriodicSite: Li (7.065, 18.51, 5.403) [0.3478, 0.9115, 0.266]\n", + " PeriodicSite: Li (5.097, 2.288, 13.28) [0.2509, 0.1126, 0.6537]\n", + " PeriodicSite: Li (7.138, 12.91, 0.02877) [0.3514, 0.6354, 0.001419]\n", + " PeriodicSite: Li (10.0, 12.72, 12.37) [0.4926, 0.626, 0.6089]\n", + " PeriodicSite: Li (15.74, 0.09168, 3.048) [0.7747, 0.004506, 0.1501]\n", + " PeriodicSite: Li (18.62, 1.993, 10.58) [0.9167, 0.09809, 0.5208]\n", + " PeriodicSite: Li (17.82, 10.93, 4.256) [0.8773, 0.5379, 0.2095]\n", + " PeriodicSite: Li (17.48, 14.89, 12.89) [0.8604, 0.7331, 0.6345]\n", + " PeriodicSite: Li (8.694, 5.322, 6.908) [0.428, 0.262, 0.3401]\n", + " PeriodicSite: Li (9.421, 0.7951, 12.31) [0.4638, 0.03914, 0.6063]\n", + " PeriodicSite: Li (11.02, 13.25, 5.228) [0.5426, 0.6526, 0.2574]\n", + " PeriodicSite: Li (7.317, 14.29, 10.49) [0.3602, 0.7037, 0.5162]\n", + " PeriodicSite: Li (19.98, 2.919, 1.713) [0.9839, 0.1437, 0.08431]\n", + " PeriodicSite: Li (19.36, 4.484, 12.92) [0.9531, 0.2207, 0.6361]\n", + " PeriodicSite: Li (17.19, 15.14, 2.309) [0.8461, 0.7455, 0.1137]\n", + " PeriodicSite: Li (15.4, 12.33, 13.85) [0.7579, 0.6069, 0.6817]\n", + " PeriodicSite: Li (2.1, 20.12, 2.907) [0.1034, 0.9907, 0.1431]\n", + " PeriodicSite: Li (6.62, 0.06624, 13.36) [0.3259, 0.003259, 0.6575]\n", + " PeriodicSite: Li (4.693, 13.28, 2.091) [0.231, 0.6537, 0.1029]\n", + " PeriodicSite: Li (6.955, 7.854, 15.31) [0.3424, 0.3866, 0.7539]\n", + " PeriodicSite: Li (18.56, 4.522, 3.337) [0.9136, 0.2226, 0.1643]\n", + " PeriodicSite: Li (17.76, 0.4146, 13.6) [0.8745, 0.02041, 0.6698]\n", + " PeriodicSite: Li (17.06, 13.58, 0.0437) [0.8401, 0.6685, 0.002157]\n", + " PeriodicSite: Li (19.34, 11.97, 11.29) [0.9522, 0.5891, 0.556]\n", + " PeriodicSite: Li (6.937, 3.318, 0.3546) [0.3415, 0.1633, 0.01746]\n", + " PeriodicSite: Li (5.114, 2.535, 9.998) [0.2518, 0.1248, 0.4922]\n", + " PeriodicSite: Li (9.35, 12.54, 2.044) [0.4603, 0.6173, 0.1006]\n", + " PeriodicSite: Li (7.95, 10.87, 10.71) [0.3914, 0.535, 0.5275]\n", + " PeriodicSite: Li (15.54, 2.931, 1.901) [0.765, 0.1443, 0.09361]\n", + " PeriodicSite: Li (14.96, 3.517, 11.48) [0.7363, 0.1731, 0.5649]\n", + " PeriodicSite: Li (0.4034, 12.66, 19.14) [0.01986, 0.6235, 0.9423]\n", + " PeriodicSite: Li (20.02, 13.22, 14.14) [0.9855, 0.6506, 0.6961]\n", + " PeriodicSite: Li (8.046, 0.7825, 1.527) [0.3961, 0.03852, 0.07516]\n", + " PeriodicSite: Li (7.963, 2.016, 10.22) [0.392, 0.09924, 0.5034]\n", + " PeriodicSite: Li (6.481, 12.31, 4.609) [0.3191, 0.6059, 0.2269]\n", + " PeriodicSite: Li (5.092, 13.2, 12.03) [0.2507, 0.6497, 0.5923]\n", + " PeriodicSite: Li (17.54, 3.355, 0.2361) [0.8633, 0.1652, 0.01163]\n", + " PeriodicSite: Li (1.558, 6.9, 14.88) [0.07672, 0.3397, 0.7325]\n", + " PeriodicSite: Li (2.965, 15.05, 7.919) [0.1459, 0.7408, 0.3899]\n", + " PeriodicSite: Li (16.37, 12.62, 11.46) [0.8057, 0.6215, 0.5643]\n", + " PeriodicSite: Li (12.39, 7.164, 4.95) [0.6097, 0.3527, 0.2437]\n", + " PeriodicSite: Li (4.916, 8.182, 17.01) [0.242, 0.4028, 0.8375]\n", + " PeriodicSite: Li (5.946, 16.83, 9.061) [0.2927, 0.8285, 0.4461]\n", + " PeriodicSite: Li (6.983, 15.48, 19.06) [0.3438, 0.7623, 0.9384]\n", + " PeriodicSite: Li (14.9, 8.712, 6.452) [0.7337, 0.4289, 0.3176]\n", + " PeriodicSite: Li (3.128, 5.486, 19.32) [0.154, 0.2701, 0.9512]\n", + " PeriodicSite: Li (17.25, 18.86, 5.514) [0.8494, 0.9283, 0.2715]\n", + " PeriodicSite: Li (20.03, 18.66, 18.75) [0.9861, 0.9187, 0.9231]\n", + " PeriodicSite: Li (6.833, 8.3, 5.04) [0.3364, 0.4086, 0.2481]\n", + " PeriodicSite: Li (8.253, 5.539, 16.71) [0.4063, 0.2727, 0.8228]\n", + " PeriodicSite: Li (7.712, 19.88, 8.028) [0.3797, 0.9787, 0.3952]\n", + " PeriodicSite: Li (6.813, 19.42, 16.34) [0.3354, 0.9561, 0.8044]\n", + " PeriodicSite: Li (17.97, 10.22, 7.743) [0.8846, 0.503, 0.3812]\n", + " PeriodicSite: Li (18.04, 7.619, 15.31) [0.8883, 0.3751, 0.7536]\n", + " PeriodicSite: Li (18.1, 19.78, 9.047) [0.8913, 0.9739, 0.4454]\n", + " PeriodicSite: Li (18.62, 15.92, 17.46) [0.9165, 0.7836, 0.8595]\n", + " PeriodicSite: Li (6.632, 4.978, 8.639) [0.3265, 0.2451, 0.4253]\n", + " PeriodicSite: Li (6.884, 6.368, 19.57) [0.3389, 0.3135, 0.9634]\n", + " PeriodicSite: Li (9.34, 17.82, 9.694) [0.4598, 0.8773, 0.4772]\n", + " PeriodicSite: Li (11.69, 13.46, 15.69) [0.5757, 0.6627, 0.7722]\n", + " PeriodicSite: Li (20.03, 7.234, 6.466) [0.986, 0.3561, 0.3183]\n", + " PeriodicSite: Li (18.37, 5.433, 17.06) [0.9042, 0.2675, 0.84]\n", + " PeriodicSite: Li (16.82, 17.0, 10.51) [0.8279, 0.8369, 0.5175]\n", + " PeriodicSite: Li (16.98, 16.87, 19.9) [0.836, 0.8305, 0.9795]\n", + " PeriodicSite: Li (9.54, 8.302, 8.364) [0.4696, 0.4087, 0.4118]\n", + " PeriodicSite: Li (8.857, 8.697, 1.224) [0.4361, 0.4281, 0.06028]\n", + " PeriodicSite: Li (5.041, 18.97, 7.21) [0.2482, 0.9342, 0.355]\n", + " PeriodicSite: Li (6.516, 15.36, 1.988) [0.3208, 0.7562, 0.09786]\n", + " PeriodicSite: Li (15.75, 7.374, 9.146) [0.7756, 0.363, 0.4503]\n", + " PeriodicSite: Li (19.61, 9.239, 18.02) [0.9654, 0.4548, 0.8874]\n", + " PeriodicSite: Li (15.47, 18.64, 7.384) [0.7615, 0.9179, 0.3635]\n", + " PeriodicSite: Li (16.87, 18.35, 15.69) [0.8307, 0.9035, 0.7726]\n", + " PeriodicSite: Li (6.601, 4.574, 11.68) [0.325, 0.2252, 0.5748]\n", + " PeriodicSite: Li (7.78, 10.04, 17.81) [0.383, 0.4942, 0.8769]\n", + " PeriodicSite: Li (10.37, 17.5, 6.884) [0.5108, 0.8616, 0.3389]\n", + " PeriodicSite: Li (10.19, 18.53, 1.878) [0.5018, 0.9124, 0.09246]\n", + " PeriodicSite: Li (16.78, 8.478, 4.815) [0.8262, 0.4174, 0.237]\n", + " PeriodicSite: Li (15.27, 3.406, 18.47) [0.7516, 0.1677, 0.9095]\n", + " PeriodicSite: Li (19.62, 17.15, 7.199) [0.9659, 0.8442, 0.3544]\n", + " PeriodicSite: Li (18.44, 0.3166, 2.071) [0.908, 0.01558, 0.102]\n", + " PeriodicSite: Li (3.076, 9.965, 3.217) [0.1514, 0.4906, 0.1584]\n", + " PeriodicSite: Li (9.953, 8.098, 17.95) [0.49, 0.3987, 0.8836]\n", + " PeriodicSite: Li (8.228, 15.34, 7.363) [0.4051, 0.7551, 0.3625]\n", + " PeriodicSite: Li (8.506, 18.46, 19.4) [0.4187, 0.9088, 0.9552]\n", + " PeriodicSite: Li (18.09, 5.13, 7.364) [0.8905, 0.2526, 0.3626]\n", + " PeriodicSite: Li (16.68, 11.49, 16.06) [0.8213, 0.5656, 0.7907]\n", + " PeriodicSite: Li (18.77, 13.76, 4.591) [0.9242, 0.6773, 0.226]\n", + " PeriodicSite: Li (13.46, 0.6249, 14.29) [0.6626, 0.03076, 0.7034]\n", + " PeriodicSite: Cl (7.671, 12.5, 12.4) [0.3776, 0.6154, 0.6105]\n", + " PeriodicSite: Cl (2.375, 12.43, 17.76) [0.1169, 0.6117, 0.8746]\n", + " PeriodicSite: Cl (12.62, 17.41, 12.77) [0.6214, 0.8572, 0.6288]\n", + " PeriodicSite: Cl (17.83, 7.658, 17.79) [0.8777, 0.377, 0.876]\n", + " PeriodicSite: Cl (7.386, 2.506, 2.593) [0.3636, 0.1234, 0.1277]\n", + " PeriodicSite: Cl (7.227, 7.561, 7.551) [0.3558, 0.3723, 0.3717]\n", + " PeriodicSite: Cl (12.66, 12.78, 7.486) [0.6235, 0.629, 0.3685]\n", + " PeriodicSite: Cl (2.859, 7.53, 2.705) [0.1408, 0.3707, 0.1332]\n", + " PeriodicSite: Cl (2.238, 7.601, 12.47) [0.1102, 0.3742, 0.614]\n", + " PeriodicSite: Cl (12.4, 13.01, 17.8) [0.6103, 0.6406, 0.8763]\n", + " PeriodicSite: Cl (17.95, 18.11, 17.88) [0.8837, 0.8917, 0.8801]\n", + " PeriodicSite: Cl (2.35, 2.026, 7.408) [0.1157, 0.09974, 0.3647]\n", + " PeriodicSite: Cl (12.9, 2.751, 17.66) [0.6352, 0.1355, 0.8694]\n", + " PeriodicSite: Cl (12.59, 7.485, 2.392) [0.6196, 0.3685, 0.1178]\n", + " PeriodicSite: Cl (17.5, 2.688, 12.75) [0.8614, 0.1323, 0.6279]\n", + " PeriodicSite: Cl (6.994, 17.55, 17.61) [0.3443, 0.8642, 0.867]\n", + " PeriodicSite: Cl (20.22, 0.1549, 0.339) [0.9953, 0.007618, 0.0167]\n", + " PeriodicSite: Cl (19.76, 20.19, 10.56) [0.973, 0.994, 0.5199]\n", + " PeriodicSite: Cl (19.85, 10.62, 20.08) [0.9771, 0.5226, 0.9887]\n", + " PeriodicSite: Cl (19.92, 10.04, 9.592) [0.9809, 0.4941, 0.4722]\n", + " PeriodicSite: Cl (10.15, 20.18, 0.04298) [0.4998, 0.9933, 0.00212]\n", + " PeriodicSite: Cl (9.826, 0.1915, 10.15) [0.4838, 0.009423, 0.4998]\n", + " PeriodicSite: Cl (10.04, 10.19, 19.9) [0.4944, 0.5017, 0.9797]\n", + " PeriodicSite: Cl (9.914, 10.13, 10.05) [0.4881, 0.4988, 0.4948]\n", + " PeriodicSite: Cl (20.23, 5.393, 5.177) [0.9959, 0.2655, 0.2549]\n", + " PeriodicSite: Cl (20.14, 5.439, 15.42) [0.9913, 0.2678, 0.7591]\n", + " PeriodicSite: Cl (0.1271, 15.15, 5.641) [0.006251, 0.7459, 0.2777]\n", + " PeriodicSite: Cl (0.1979, 15.05, 15.14) [0.00974, 0.7407, 0.7452]\n", + " PeriodicSite: Cl (10.58, 5.292, 4.74) [0.5211, 0.2605, 0.2334]\n", + " PeriodicSite: Cl (10.28, 5.43, 15.16) [0.5059, 0.2673, 0.7462]\n", + " PeriodicSite: Cl (10.78, 15.54, 5.367) [0.5308, 0.7652, 0.2642]\n", + " PeriodicSite: Cl (10.39, 15.38, 15.38) [0.5116, 0.7573, 0.7571]\n", + " PeriodicSite: S (5.262, 19.82, 5.152) [0.259, 0.9759, 0.2536]\n", + " PeriodicSite: S (4.678, 0.2984, 15.13) [0.2303, 0.01469, 0.7449]\n", + " PeriodicSite: S (4.992, 9.765, 4.889) [0.2458, 0.4808, 0.2407]\n", + " PeriodicSite: S (5.042, 9.484, 15.03) [0.2482, 0.4669, 0.74]\n", + " PeriodicSite: S (15.23, 0.096, 5.447) [0.7498, 0.00472, 0.2682]\n", + " PeriodicSite: S (15.5, 0.101, 15.44) [0.7629, 0.004965, 0.7603]\n", + " PeriodicSite: S (15.13, 10.49, 4.754) [0.7451, 0.5166, 0.234]\n", + " PeriodicSite: S (15.24, 10.02, 14.76) [0.7503, 0.4934, 0.7266]\n", + " PeriodicSite: S (5.25, 4.857, 20.22) [0.2585, 0.2391, 0.9956]\n", + " PeriodicSite: S (4.804, 4.838, 10.02) [0.2365, 0.2382, 0.4934]\n", + " PeriodicSite: S (4.963, 15.34, 0.2474) [0.2443, 0.755, 0.01218]\n", + " PeriodicSite: S (4.839, 15.07, 10.46) [0.2382, 0.7418, 0.515]\n", + " PeriodicSite: S (15.26, 4.749, 0.1006) [0.7511, 0.2338, 0.004959]\n", + " PeriodicSite: S (14.55, 5.485, 10.3) [0.7163, 0.27, 0.5073]\n", + " PeriodicSite: S (15.23, 15.39, 0.1834) [0.7496, 0.7575, 0.009035]\n", + " PeriodicSite: S (15.45, 15.31, 10.4) [0.7606, 0.754, 0.5121]\n", + " PeriodicSite: S (8.782, 3.867, 8.872) [0.4324, 0.1904, 0.4368]\n", + " PeriodicSite: S (8.959, 3.875, 19.1) [0.4411, 0.1908, 0.9401]\n", + " PeriodicSite: S (9.272, 14.16, 8.998) [0.4564, 0.6973, 0.443]\n", + " PeriodicSite: S (9.093, 14.23, 18.87) [0.4477, 0.7007, 0.9291]\n", + " PeriodicSite: S (19.34, 3.625, 8.606) [0.9519, 0.1784, 0.4237]\n", + " PeriodicSite: S (19.51, 3.759, 19.08) [0.9604, 0.1851, 0.9391]\n", + " PeriodicSite: S (19.02, 13.86, 9.191) [0.9364, 0.6824, 0.4525]\n", + " PeriodicSite: S (19.13, 14.26, 18.77) [0.9416, 0.7022, 0.9241]\n", + " PeriodicSite: S (4.003, 1.1, 1.311) [0.1971, 0.05417, 0.06455]\n", + " PeriodicSite: S (3.819, 1.038, 11.28) [0.188, 0.05109, 0.5553]\n", + " PeriodicSite: S (3.9, 11.12, 1.203) [0.192, 0.5472, 0.05922]\n", + " PeriodicSite: S (3.714, 11.48, 11.2) [0.1828, 0.565, 0.5513]\n", + " PeriodicSite: S (14.3, 1.06, 1.068) [0.7039, 0.05218, 0.05257]\n", + " PeriodicSite: S (14.09, 1.423, 11.86) [0.6937, 0.07004, 0.5837]\n", + " PeriodicSite: S (13.96, 11.18, 1.103) [0.6871, 0.5503, 0.05429]\n", + " PeriodicSite: S (14.31, 11.62, 11.54) [0.7046, 0.5719, 0.5684]\n", + " PeriodicSite: S (6.0, 0.8284, 8.775) [0.2954, 0.04078, 0.432]\n", + " PeriodicSite: S (6.006, 1.17, 18.88) [0.2957, 0.05761, 0.9296]\n", + " PeriodicSite: S (6.031, 11.23, 8.65) [0.2969, 0.5529, 0.4258]\n", + " PeriodicSite: S (5.777, 11.45, 18.75) [0.2844, 0.5637, 0.9231]\n", + " PeriodicSite: S (16.37, 1.279, 9.537) [0.8061, 0.06295, 0.4695]\n", + " PeriodicSite: S (16.55, 1.212, 19.4) [0.815, 0.05965, 0.955]\n", + " PeriodicSite: S (16.28, 11.51, 8.896) [0.8017, 0.5668, 0.4379]\n", + " PeriodicSite: S (16.12, 11.43, 18.63) [0.7936, 0.5629, 0.917]\n", + " PeriodicSite: S (1.446, 4.273, 1.205) [0.07117, 0.2104, 0.0593]\n", + " PeriodicSite: S (0.7591, 3.652, 11.4) [0.03737, 0.1798, 0.5611]\n", + " PeriodicSite: S (1.254, 14.09, 1.016) [0.06175, 0.6936, 0.05004]\n", + " PeriodicSite: S (0.9193, 13.71, 11.47) [0.04526, 0.6748, 0.5644]\n", + " PeriodicSite: S (11.1, 4.223, 1.427) [0.5462, 0.2079, 0.07028]\n", + " PeriodicSite: S (10.88, 3.908, 11.33) [0.5355, 0.1924, 0.5575]\n", + " PeriodicSite: S (11.03, 14.28, 1.333) [0.5431, 0.703, 0.06565]\n", + " PeriodicSite: S (11.79, 14.12, 11.27) [0.5802, 0.6951, 0.5548]\n", + " PeriodicSite: S (2.792, 2.889, 18.12) [0.1375, 0.1422, 0.8919]\n", + " PeriodicSite: S (2.442, 12.88, 7.687) [0.1202, 0.6342, 0.3785]\n", + " PeriodicSite: S (12.66, 2.489, 7.71) [0.6234, 0.1225, 0.3796]\n", + " PeriodicSite: S (9.054, 8.7, 3.76) [0.4457, 0.4283, 0.1851]\n", + " PeriodicSite: S (9.117, 9.034, 13.74) [0.4488, 0.4448, 0.6764]\n", + " PeriodicSite: S (8.76, 19.29, 3.597) [0.4313, 0.9497, 0.1771]\n", + " PeriodicSite: S (8.842, 19.27, 14.18) [0.4353, 0.9487, 0.6983]\n", + " PeriodicSite: S (19.28, 9.229, 3.923) [0.9493, 0.4544, 0.1931]\n", + " PeriodicSite: S (19.42, 8.734, 13.59) [0.956, 0.43, 0.6691]\n", + " PeriodicSite: S (19.18, 18.94, 3.979) [0.9442, 0.9326, 0.1959]\n", + " PeriodicSite: S (19.31, 19.26, 14.5) [0.9506, 0.9484, 0.714]\n", + " PeriodicSite: S (3.741, 5.826, 6.541) [0.1842, 0.2868, 0.322]\n", + " PeriodicSite: S (3.86, 6.209, 16.21) [0.19, 0.3057, 0.7979]\n", + " PeriodicSite: S (4.278, 16.64, 6.62) [0.2106, 0.8192, 0.3259]\n", + " PeriodicSite: S (3.512, 16.14, 16.65) [0.1729, 0.7948, 0.8196]\n", + " PeriodicSite: S (14.16, 6.041, 6.317) [0.6972, 0.2974, 0.311]\n", + " PeriodicSite: S (14.42, 6.633, 16.44) [0.7098, 0.3265, 0.8094]\n", + " PeriodicSite: S (14.16, 16.27, 6.407) [0.697, 0.801, 0.3154]\n", + " PeriodicSite: S (14.46, 17.06, 16.49) [0.7119, 0.8397, 0.8118]\n", + " PeriodicSite: S (5.906, 6.061, 3.987) [0.2908, 0.2984, 0.1963]\n", + " PeriodicSite: S (6.114, 6.291, 13.65) [0.301, 0.3097, 0.6719]\n", + " PeriodicSite: S (6.427, 16.44, 4.073) [0.3164, 0.8092, 0.2005]\n", + " PeriodicSite: S (6.182, 16.41, 14.48) [0.3044, 0.8081, 0.7129]\n", + " PeriodicSite: S (16.37, 5.95, 3.79) [0.8059, 0.2929, 0.1866]\n", + " PeriodicSite: S (16.4, 6.315, 13.92) [0.8076, 0.3109, 0.6853]\n", + " PeriodicSite: S (16.48, 16.61, 3.914) [0.8114, 0.8179, 0.1927]\n", + " PeriodicSite: S (16.29, 16.51, 13.91) [0.8018, 0.8128, 0.685]\n", + " PeriodicSite: S (1.406, 9.28, 6.253) [0.0692, 0.4568, 0.3078]\n", + " PeriodicSite: S (1.241, 8.926, 16.09) [0.06109, 0.4394, 0.792]\n", + " PeriodicSite: S (1.168, 19.05, 6.241) [0.05749, 0.9381, 0.3073]\n", + " PeriodicSite: S (1.427, 19.62, 17.0) [0.07024, 0.9659, 0.837]\n", + " PeriodicSite: S (11.39, 8.999, 6.107) [0.5605, 0.443, 0.3007]\n", + " PeriodicSite: S (11.22, 9.519, 16.29) [0.5524, 0.4686, 0.8022]\n", + " PeriodicSite: S (11.35, 19.5, 5.92) [0.5588, 0.9602, 0.2914]\n", + " PeriodicSite: S (11.91, 19.64, 15.85) [0.5864, 0.9667, 0.7803]\n", + " PeriodicSite: S (2.664, 17.85, 2.72) [0.1311, 0.8788, 0.1339]\n", + " PeriodicSite: S (2.777, 17.53, 12.82) [0.1367, 0.8631, 0.6309]\n", + " PeriodicSite: S (12.88, 7.852, 12.86) [0.6339, 0.3866, 0.6332]\n", + " PeriodicSite: S (12.52, 17.85, 2.372) [0.6164, 0.8786, 0.1168]\n", + " PeriodicSite: S (4.084, 3.192, 4.333) [0.201, 0.1572, 0.2133]\n", + " PeriodicSite: S (3.607, 4.03, 13.83) [0.1776, 0.1984, 0.6808]\n", + " PeriodicSite: S (3.801, 14.29, 4.263) [0.1871, 0.7036, 0.2099]\n", + " PeriodicSite: S (4.178, 13.56, 14.5) [0.2057, 0.6676, 0.7139]\n", + " PeriodicSite: S (13.97, 3.568, 4.057) [0.688, 0.1756, 0.1998]\n", + " PeriodicSite: S (13.67, 4.029, 14.53) [0.6731, 0.1984, 0.7155]\n", + " PeriodicSite: S (14.16, 14.02, 3.843) [0.6973, 0.6901, 0.1892]\n", + " PeriodicSite: S (13.93, 14.15, 14.34) [0.6859, 0.6968, 0.7061]\n", + " PeriodicSite: S (8.773, 1.312, 6.141) [0.4319, 0.06459, 0.3023]\n", + " PeriodicSite: S (8.913, 0.107, 17.15) [0.4388, 0.005266, 0.8445]\n", + " PeriodicSite: S (9.082, 11.29, 6.116) [0.4471, 0.556, 0.3011]\n", + " PeriodicSite: S (8.645, 11.64, 16.0) [0.4256, 0.5728, 0.7876]\n", + " PeriodicSite: S (19.0, 0.852, 6.62) [0.9355, 0.04194, 0.3259]\n", + " PeriodicSite: S (19.34, 1.65, 16.69) [0.9522, 0.08123, 0.8215]\n", + " PeriodicSite: S (19.18, 11.65, 6.161) [0.9443, 0.5734, 0.3033]\n", + " PeriodicSite: S (19.29, 11.14, 16.44) [0.9495, 0.5483, 0.8092]\n", + " PeriodicSite: S (0.8648, 1.272, 4.209) [0.04257, 0.06261, 0.2072]\n", + " PeriodicSite: S (1.184, 1.255, 14.25) [0.05827, 0.06179, 0.7017]\n", + " PeriodicSite: S (1.332, 11.61, 4.028) [0.06557, 0.5717, 0.1983]\n", + " PeriodicSite: S (1.276, 11.42, 13.83) [0.06284, 0.5621, 0.6807]\n", + " PeriodicSite: S (10.91, 1.352, 3.521) [0.5371, 0.06656, 0.1733]\n", + " PeriodicSite: S (10.54, 1.87, 14.44) [0.5189, 0.09207, 0.711]\n", + " PeriodicSite: S (11.38, 11.25, 3.524) [0.5604, 0.5541, 0.1735]\n", + " PeriodicSite: S (11.32, 11.78, 14.08) [0.5573, 0.5798, 0.6932]\n", + " PeriodicSite: S (6.546, 3.831, 6.371) [0.3223, 0.1886, 0.3136]\n", + " PeriodicSite: S (6.424, 3.835, 16.04) [0.3162, 0.1888, 0.7895]\n", + " PeriodicSite: S (6.506, 14.03, 6.298) [0.3203, 0.6908, 0.3101]\n", + " PeriodicSite: S (6.022, 14.18, 17.04) [0.2965, 0.6979, 0.8387]\n", + " PeriodicSite: S (16.49, 3.822, 6.435) [0.812, 0.1882, 0.3168]\n", + " PeriodicSite: S (16.5, 3.91, 16.37) [0.8121, 0.1925, 0.8057]\n", + " PeriodicSite: S (16.56, 14.1, 6.161) [0.8153, 0.694, 0.3033]\n", + " PeriodicSite: S (16.55, 14.39, 16.62) [0.8147, 0.7085, 0.8181]\n", + " PeriodicSite: S (7.305, 2.233, 12.3) [0.3596, 0.1099, 0.6055]\n", + " PeriodicSite: S (7.023, 12.97, 2.426) [0.3458, 0.6385, 0.1194]\n", + " PeriodicSite: S (17.78, 2.442, 2.708) [0.8754, 0.1202, 0.1333]\n", + " PeriodicSite: S (17.82, 12.75, 2.773) [0.8773, 0.6275, 0.1365]\n", + " PeriodicSite: S (17.7, 12.54, 13.09) [0.8715, 0.6173, 0.6445]\n", + " PeriodicSite: S (3.64, 9.012, 8.936) [0.1792, 0.4437, 0.4399]\n", + " PeriodicSite: S (3.862, 8.761, 19.3) [0.1901, 0.4313, 0.9501]\n", + " PeriodicSite: S (3.69, 18.72, 9.155) [0.1817, 0.9216, 0.4507]\n", + " PeriodicSite: S (3.747, 19.07, 19.3) [0.1844, 0.9387, 0.95]\n", + " PeriodicSite: S (13.75, 9.205, 8.934) [0.6771, 0.4532, 0.4398]\n", + " PeriodicSite: S (13.95, 8.911, 19.2) [0.6866, 0.4387, 0.9454]\n", + " PeriodicSite: S (13.83, 19.5, 9.389) [0.681, 0.9602, 0.4622]\n", + " PeriodicSite: S (14.54, 19.0, 19.11) [0.7156, 0.9353, 0.941]\n", + " PeriodicSite: S (8.415, 5.979, 1.329) [0.4143, 0.2944, 0.06545]\n", + " PeriodicSite: S (8.499, 6.359, 11.18) [0.4184, 0.3131, 0.5504]\n", + " PeriodicSite: S (8.58, 16.64, 0.7371) [0.4224, 0.8191, 0.03629]\n", + " PeriodicSite: S (9.073, 16.53, 11.5) [0.4467, 0.814, 0.5662]\n", + " PeriodicSite: S (19.23, 6.175, 1.276) [0.9465, 0.304, 0.06281]\n", + " PeriodicSite: S (19.09, 6.112, 10.8) [0.9398, 0.3009, 0.5318]\n", + " PeriodicSite: S (19.12, 16.44, 1.212) [0.9412, 0.8094, 0.05967]\n", + " PeriodicSite: S (18.95, 16.27, 11.63) [0.9329, 0.8009, 0.5727]\n", + " PeriodicSite: S (1.363, 5.817, 8.786) [0.06712, 0.2864, 0.4326]\n", + " PeriodicSite: S (0.9825, 6.83, 19.19) [0.04837, 0.3363, 0.9449]\n", + " PeriodicSite: S (1.128, 16.16, 9.212) [0.05553, 0.7954, 0.4535]\n", + " PeriodicSite: S (1.041, 16.73, 19.13) [0.05125, 0.8234, 0.9417]\n", + " PeriodicSite: S (10.81, 6.429, 8.875) [0.5322, 0.3165, 0.4369]\n", + " PeriodicSite: S (11.07, 6.644, 19.44) [0.5452, 0.3271, 0.9573]\n", + " PeriodicSite: S (11.44, 16.77, 9.263) [0.5634, 0.8254, 0.4561]\n", + " PeriodicSite: S (11.44, 16.43, 19.09) [0.563, 0.8088, 0.9397]\n", + " PeriodicSite: S (6.543, 8.906, 0.6358) [0.3221, 0.4384, 0.0313]\n", + " PeriodicSite: S (6.105, 9.237, 11.32) [0.3006, 0.4548, 0.5575]\n", + " PeriodicSite: S (6.325, 19.27, 1.179) [0.3114, 0.9485, 0.05803]\n", + " PeriodicSite: S (6.221, 18.76, 11.34) [0.3063, 0.9235, 0.5584]\n", + " PeriodicSite: S (16.41, 9.136, 1.069) [0.8079, 0.4498, 0.05263]\n", + " PeriodicSite: S (16.57, 9.024, 11.11) [0.816, 0.4443, 0.5471]\n", + " PeriodicSite: S (16.73, 19.02, 1.293) [0.8238, 0.9362, 0.06365]\n", + " PeriodicSite: S (16.37, 19.06, 11.75) [0.8061, 0.9384, 0.5785]\n", + " PeriodicSite: S (7.56, 7.499, 17.64) [0.3722, 0.3692, 0.8685]\n", + " PeriodicSite: S (7.805, 17.57, 7.745) [0.3842, 0.8649, 0.3813]\n", + " PeriodicSite: S (17.4, 7.93, 7.265) [0.8566, 0.3904, 0.3577]\n", + " PeriodicSite: S (17.6, 17.82, 8.059) [0.8662, 0.8771, 0.3968]\n", + " PeriodicSite: P (5.094, 0.01965, 20.21) [0.2508, 0.0009668, 0.9952]\n", + " PeriodicSite: P (4.931, 20.05, 10.32) [0.2428, 0.987, 0.508]\n", + " PeriodicSite: P (5.074, 10.09, 20.15) [0.2498, 0.4966, 0.992]\n", + " PeriodicSite: P (4.902, 10.31, 10.06) [0.2413, 0.5076, 0.4954]\n", + " PeriodicSite: P (15.51, 20.12, 0.09769) [0.7638, 0.9904, 0.004815]\n", + " PeriodicSite: P (15.12, 0.1267, 10.7) [0.7445, 0.006232, 0.527]\n", + " PeriodicSite: P (15.25, 10.34, 20.19) [0.751, 0.5091, 0.9939]\n", + " PeriodicSite: P (15.14, 10.33, 10.12) [0.7452, 0.5086, 0.4984]\n", + " PeriodicSite: P (5.019, 4.684, 5.368) [0.2471, 0.2306, 0.2643]\n", + " PeriodicSite: P (5.018, 5.08, 15.04) [0.247, 0.2501, 0.7403]\n", + " PeriodicSite: P (5.245, 15.4, 5.313) [0.2582, 0.7582, 0.2616]\n", + " PeriodicSite: P (4.992, 15.16, 15.63) [0.2457, 0.7465, 0.7695]\n", + " PeriodicSite: P (15.37, 4.687, 5.092) [0.7567, 0.2307, 0.2507]\n", + " PeriodicSite: P (15.29, 5.135, 15.26) [0.7527, 0.2528, 0.7511]\n", + " PeriodicSite: P (15.31, 15.25, 5.011) [0.7537, 0.751, 0.2467]\n", + " PeriodicSite: P (15.22, 15.43, 15.44) [0.7492, 0.7597, 0.7603]\n", + " PeriodicSite: P (20.09, 20.22, 5.31) [0.9891, 0.9956, 0.2614]\n", + " PeriodicSite: P (0.1219, 0.3111, 15.5) [0.006006, 0.01531, 0.7632]\n", + " PeriodicSite: P (0.1613, 10.35, 5.099) [0.007937, 0.5096, 0.251]\n", + " PeriodicSite: P (0.06486, 10.23, 14.97) [0.003192, 0.5036, 0.737]\n", + " PeriodicSite: P (9.92, 0.2346, 4.771) [0.4884, 0.01155, 0.2349]\n", + " PeriodicSite: P (10.01, 0.009208, 15.45) [0.4929, 0.0004499, 0.7606]\n", + " PeriodicSite: P (10.18, 10.05, 4.832) [0.501, 0.4947, 0.2379]\n", + " PeriodicSite: P (9.95, 10.46, 14.96) [0.4899, 0.5151, 0.7365]\n", + " PeriodicSite: P (0.1365, 5.291, 20.09) [0.006721, 0.2605, 0.9893]\n", + " PeriodicSite: P (0.02793, 4.831, 9.883) [0.001375, 0.2379, 0.4865]\n", + " PeriodicSite: P (20.31, 15.39, 20.24) [0.9998, 0.7576, 0.9964]\n", + " PeriodicSite: P (20.06, 15.16, 10.34) [0.9874, 0.7465, 0.5092]\n", + " PeriodicSite: P (10.02, 5.196, 0.1113) [0.4935, 0.2558, 0.005485]\n", + " PeriodicSite: P (9.757, 5.176, 10.13) [0.4804, 0.2548, 0.4986]\n", + " PeriodicSite: P (10.12, 15.46, 20.16) [0.498, 0.7612, 0.9927]\n", + " PeriodicSite: P (10.41, 15.22, 10.24) [0.5125, 0.7494, 0.504],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.039, 4.472, 5.983) [0.1004, 0.2201, 0.2945]\n", + " PeriodicSite: Li (1.002, 4.174, 16.74) [0.04934, 0.2055, 0.8239]\n", + " PeriodicSite: Li (2.596, 13.29, 10.23) [0.1278, 0.6543, 0.5036]\n", + " PeriodicSite: Li (2.14, 14.56, 16.29) [0.1053, 0.717, 0.8019]\n", + " PeriodicSite: Li (14.82, 1.212, 7.522) [0.7297, 0.05965, 0.3703]\n", + " PeriodicSite: Li (12.01, 3.853, 15.98) [0.5915, 0.1897, 0.7869]\n", + " PeriodicSite: Li (15.33, 12.32, 3.255) [0.7545, 0.6065, 0.1603]\n", + " PeriodicSite: Li (16.08, 8.998, 17.51) [0.7915, 0.443, 0.8619]\n", + " PeriodicSite: Li (3.901, 4.131, 8.593) [0.192, 0.2034, 0.423]\n", + " PeriodicSite: Li (3.627, 0.3792, 17.44) [0.1786, 0.01867, 0.8584]\n", + " PeriodicSite: Li (6.007, 9.44, 7.37) [0.2957, 0.4647, 0.3628]\n", + " PeriodicSite: Li (6.9, 10.51, 13.45) [0.3397, 0.5172, 0.662]\n", + " PeriodicSite: Li (11.89, 3.668, 5.334) [0.5852, 0.1806, 0.2626]\n", + " PeriodicSite: Li (13.64, 6.504, 19.11) [0.6714, 0.3202, 0.9408]\n", + " PeriodicSite: Li (10.53, 8.102, 12.11) [0.5186, 0.3989, 0.596]\n", + " PeriodicSite: Li (11.55, 17.03, 16.52) [0.5689, 0.8384, 0.8131]\n", + " PeriodicSite: Li (2.892, 1.059, 5.683) [0.1424, 0.05215, 0.2798]\n", + " PeriodicSite: Li (3.562, 2.118, 15.7) [0.1754, 0.1043, 0.7728]\n", + " PeriodicSite: Li (3.357, 10.8, 6.578) [0.1653, 0.5315, 0.3239]\n", + " PeriodicSite: Li (4.801, 12.4, 15.81) [0.2363, 0.6103, 0.7785]\n", + " PeriodicSite: Li (12.16, 1.638, 9.81) [0.5988, 0.08064, 0.483]\n", + " PeriodicSite: Li (10.45, 1.66, 18.47) [0.5143, 0.08174, 0.9095]\n", + " PeriodicSite: Li (13.63, 13.21, 9.555) [0.6711, 0.6504, 0.4704]\n", + " PeriodicSite: Li (10.03, 12.14, 18.04) [0.4937, 0.5975, 0.8882]\n", + " PeriodicSite: Li (0.5789, 1.685, 8.634) [0.0285, 0.08294, 0.4251]\n", + " PeriodicSite: Li (3.297, 2.966, 19.98) [0.1623, 0.146, 0.9835]\n", + " PeriodicSite: Li (0.2027, 13.29, 7.997) [0.009976, 0.6542, 0.3937]\n", + " PeriodicSite: Li (4.564, 13.67, 18.82) [0.2247, 0.6731, 0.9267]\n", + " PeriodicSite: Li (13.38, 1.131, 5.334) [0.6586, 0.05567, 0.2626]\n", + " PeriodicSite: Li (14.04, 19.87, 16.87) [0.6914, 0.9784, 0.8304]\n", + " PeriodicSite: Li (9.997, 11.86, 8.371) [0.4921, 0.5838, 0.4121]\n", + " PeriodicSite: Li (14.8, 15.09, 18.75) [0.7288, 0.743, 0.9233]\n", + " PeriodicSite: Li (5.892, 1.917, 6.174) [0.2901, 0.09437, 0.3039]\n", + " PeriodicSite: Li (0.7398, 1.519, 18.69) [0.03643, 0.07476, 0.92]\n", + " PeriodicSite: Li (5.051, 13.36, 8.882) [0.2487, 0.6579, 0.4373]\n", + " PeriodicSite: Li (1.038, 17.76, 15.52) [0.05111, 0.8744, 0.7639]\n", + " PeriodicSite: Li (14.97, 3.887, 8.33) [0.7371, 0.1913, 0.4101]\n", + " PeriodicSite: Li (13.28, 3.037, 0.1542) [0.6538, 0.1495, 0.007595]\n", + " PeriodicSite: Li (15.77, 15.74, 8.212) [0.7762, 0.7749, 0.4043]\n", + " PeriodicSite: Li (13.32, 14.45, 1.452) [0.6556, 0.7114, 0.07148]\n", + " PeriodicSite: Li (5.493, 0.9584, 3.233) [0.2704, 0.04718, 0.1592]\n", + " PeriodicSite: Li (5.059, 3.307, 18.11) [0.2491, 0.1628, 0.8914]\n", + " PeriodicSite: Li (2.282, 13.31, 5.547) [0.1123, 0.6554, 0.2731]\n", + " PeriodicSite: Li (20.21, 13.14, 2.434) [0.9949, 0.647, 0.1198]\n", + " PeriodicSite: Li (10.43, 2.097, 7.573) [0.5137, 0.1032, 0.3728]\n", + " PeriodicSite: Li (17.23, 0.3472, 16.71) [0.8482, 0.01709, 0.8227]\n", + " PeriodicSite: Li (15.19, 12.13, 6.78) [0.7478, 0.5973, 0.3338]\n", + " PeriodicSite: Li (13.5, 10.96, 16.91) [0.6645, 0.5397, 0.8326]\n", + " PeriodicSite: Li (3.524, 10.03, 17.19) [0.1735, 0.4938, 0.8464]\n", + " PeriodicSite: Li (1.283, 10.57, 8.112) [0.06317, 0.5202, 0.3994]\n", + " PeriodicSite: Li (5.088, 16.57, 18.38) [0.2505, 0.8158, 0.9048]\n", + " PeriodicSite: Li (2.029, 17.32, 11.08) [0.09988, 0.8528, 0.5453]\n", + " PeriodicSite: Li (13.87, 6.092, 1.939) [0.6828, 0.2999, 0.09546]\n", + " PeriodicSite: Li (14.71, 8.109, 14.28) [0.7241, 0.3992, 0.7029]\n", + " PeriodicSite: Li (12.23, 15.02, 6.991) [0.6023, 0.7392, 0.3442]\n", + " PeriodicSite: Li (14.77, 18.79, 13.48) [0.7273, 0.925, 0.6635]\n", + " PeriodicSite: Li (4.186, 7.155, 0.8543) [0.2061, 0.3522, 0.04206]\n", + " PeriodicSite: Li (3.157, 5.022, 11.78) [0.1554, 0.2473, 0.5799]\n", + " PeriodicSite: Li (4.996, 17.14, 1.453) [0.2459, 0.8437, 0.07154]\n", + " PeriodicSite: Li (4.329, 18.29, 15.11) [0.2131, 0.9003, 0.7437]\n", + " PeriodicSite: Li (16.82, 6.217, 0.05893) [0.8282, 0.3061, 0.002906]\n", + " PeriodicSite: Li (12.99, 5.112, 11.98) [0.6395, 0.2517, 0.5899]\n", + " PeriodicSite: Li (13.64, 18.11, 4.754) [0.6717, 0.8914, 0.2341]\n", + " PeriodicSite: Li (10.92, 17.1, 13.08) [0.5375, 0.8417, 0.6441]\n", + " PeriodicSite: Li (0.9632, 8.106, 0.3184) [0.04742, 0.399, 0.01568]\n", + " PeriodicSite: Li (3.849, 6.789, 9.494) [0.1895, 0.3342, 0.4674]\n", + " PeriodicSite: Li (2.816, 15.55, 2.224) [0.1386, 0.7653, 0.1095]\n", + " PeriodicSite: Li (4.955, 16.59, 12.28) [0.2439, 0.8167, 0.6047]\n", + " PeriodicSite: Li (11.84, 9.823, 0.5949) [0.5828, 0.4836, 0.02929]\n", + " PeriodicSite: Li (11.64, 7.029, 14.71) [0.573, 0.346, 0.724]\n", + " PeriodicSite: Li (11.16, 15.99, 3.491) [0.5495, 0.7872, 0.1719]\n", + " PeriodicSite: Li (13.92, 14.9, 12.36) [0.6853, 0.7333, 0.6084]\n", + " PeriodicSite: Li (0.9547, 5.896, 2.84) [0.047, 0.2903, 0.1398]\n", + " PeriodicSite: Li (18.34, 8.023, 9.9) [0.9029, 0.395, 0.4874]\n", + " PeriodicSite: Li (1.002, 17.64, 4.317) [0.04931, 0.8684, 0.2125]\n", + " PeriodicSite: Li (0.4485, 19.52, 12.65) [0.02207, 0.9612, 0.6228]\n", + " PeriodicSite: Li (10.42, 6.985, 2.893) [0.5132, 0.3439, 0.1424]\n", + " PeriodicSite: Li (13.16, 9.964, 13.56) [0.648, 0.4905, 0.6673]\n", + " PeriodicSite: Li (13.36, 17.11, 0.08785) [0.6578, 0.8424, 0.00433]\n", + " PeriodicSite: Li (8.277, 15.59, 16.08) [0.4075, 0.7673, 0.7915]\n", + " PeriodicSite: Li (3.867, 7.592, 4.444) [0.1904, 0.3737, 0.2188]\n", + " PeriodicSite: Li (0.6288, 8.404, 12.11) [0.03096, 0.4137, 0.5962]\n", + " PeriodicSite: Li (1.61, 18.23, 0.2452) [0.07923, 0.8973, 0.01207]\n", + " PeriodicSite: Li (3.318, 19.88, 13.47) [0.1633, 0.9788, 0.6634]\n", + " PeriodicSite: Li (14.99, 9.292, 3.123) [0.7381, 0.4574, 0.1537]\n", + " PeriodicSite: Li (13.04, 7.334, 10.24) [0.642, 0.3611, 0.5041]\n", + " PeriodicSite: Li (12.1, 0.001766, 1.978) [0.5959, 8.152e-05, 0.09739]\n", + " PeriodicSite: Li (13.46, 16.92, 10.49) [0.6625, 0.833, 0.5164]\n", + " PeriodicSite: Li (5.358, 4.538, 2.233) [0.2638, 0.2234, 0.1099]\n", + " PeriodicSite: Li (4.673, 8.276, 14.37) [0.2301, 0.4075, 0.7074]\n", + " PeriodicSite: Li (3.671, 18.35, 4.475) [0.1807, 0.9032, 0.2203]\n", + " PeriodicSite: Li (2.031, 15.43, 13.54) [0.09998, 0.7598, 0.6668]\n", + " PeriodicSite: Li (12.85, 10.73, 5.365) [0.6327, 0.528, 0.2641]\n", + " PeriodicSite: Li (15.01, 6.583, 11.99) [0.7391, 0.3241, 0.5901]\n", + " PeriodicSite: Li (14.85, 17.35, 2.077) [0.7311, 0.8541, 0.1023]\n", + " PeriodicSite: Li (16.3, 2.422, 14.79) [0.8027, 0.1192, 0.728]\n", + " PeriodicSite: Li (9.478, 3.158, 2.546) [0.4666, 0.1555, 0.1253]\n", + " PeriodicSite: Li (7.976, 3.942, 14.01) [0.3927, 0.1941, 0.6895]\n", + " PeriodicSite: Li (5.856, 10.79, 2.745) [0.2883, 0.5311, 0.1351]\n", + " PeriodicSite: Li (3.416, 10.96, 14.14) [0.1682, 0.5397, 0.6962]\n", + " PeriodicSite: Li (17.7, 2.28, 4.763) [0.8716, 0.1122, 0.2345]\n", + " PeriodicSite: Li (12.43, 4.397, 9.276) [0.6118, 0.2164, 0.4567]\n", + " PeriodicSite: Li (18.21, 10.78, 0.68) [0.8967, 0.5308, 0.03348]\n", + " PeriodicSite: Li (17.03, 10.31, 13.55) [0.8383, 0.5075, 0.6669]\n", + " PeriodicSite: Li (6.769, 18.83, 5.406) [0.3333, 0.9272, 0.2661]\n", + " PeriodicSite: Li (5.449, 2.343, 14.24) [0.2682, 0.1153, 0.7011]\n", + " PeriodicSite: Li (7.129, 12.82, 0.2337) [0.351, 0.6312, 0.01151]\n", + " PeriodicSite: Li (10.18, 12.69, 12.41) [0.5011, 0.6248, 0.6109]\n", + " PeriodicSite: Li (15.67, 0.03584, 3.303) [0.7715, 0.001757, 0.1626]\n", + " PeriodicSite: Li (19.02, 2.298, 10.71) [0.9365, 0.1131, 0.5272]\n", + " PeriodicSite: Li (17.89, 11.14, 4.318) [0.8806, 0.5486, 0.2126]\n", + " PeriodicSite: Li (17.07, 15.18, 12.53) [0.8403, 0.7473, 0.6169]\n", + " PeriodicSite: Li (8.69, 5.237, 6.586) [0.4278, 0.2578, 0.3242]\n", + " PeriodicSite: Li (9.574, 0.975, 12.64) [0.4714, 0.048, 0.6223]\n", + " PeriodicSite: Li (10.32, 12.87, 5.455) [0.5083, 0.6334, 0.2686]\n", + " PeriodicSite: Li (7.469, 14.67, 11.06) [0.3677, 0.7224, 0.5443]\n", + " PeriodicSite: Li (19.93, 2.01, 1.971) [0.9812, 0.09895, 0.09703]\n", + " PeriodicSite: Li (19.57, 4.628, 12.72) [0.9637, 0.2278, 0.6261]\n", + " PeriodicSite: Li (17.19, 15.32, 2.403) [0.8463, 0.7542, 0.1183]\n", + " PeriodicSite: Li (15.19, 12.07, 13.43) [0.7477, 0.5944, 0.6613]\n", + " PeriodicSite: Li (1.913, 20.12, 2.362) [0.09415, 0.9907, 0.1163]\n", + " PeriodicSite: Li (6.696, 20.24, 13.55) [0.3296, 0.9963, 0.6669]\n", + " PeriodicSite: Li (5.023, 13.33, 2.126) [0.2473, 0.6562, 0.1047]\n", + " PeriodicSite: Li (8.073, 7.945, 15.29) [0.3974, 0.3911, 0.753]\n", + " PeriodicSite: Li (19.04, 4.289, 2.798) [0.9374, 0.2111, 0.1378]\n", + " PeriodicSite: Li (17.15, 0.2431, 13.39) [0.8441, 0.01196, 0.6591]\n", + " PeriodicSite: Li (16.71, 13.67, 0.3121) [0.8228, 0.6732, 0.01537]\n", + " PeriodicSite: Li (18.99, 11.61, 11.63) [0.935, 0.5717, 0.5723]\n", + " PeriodicSite: Li (6.916, 3.208, 0.05101) [0.3405, 0.1579, 0.002513]\n", + " PeriodicSite: Li (5.661, 2.517, 10.83) [0.2787, 0.1239, 0.5333]\n", + " PeriodicSite: Li (9.507, 11.85, 2.29) [0.468, 0.5836, 0.1127]\n", + " PeriodicSite: Li (7.778, 10.8, 10.46) [0.3829, 0.5317, 0.5151]\n", + " PeriodicSite: Li (15.68, 3.3, 2.095) [0.7719, 0.1625, 0.1031]\n", + " PeriodicSite: Li (15.57, 3.272, 11.65) [0.7664, 0.1611, 0.5735]\n", + " PeriodicSite: Li (0.6971, 12.56, 18.98) [0.03432, 0.6184, 0.9345]\n", + " PeriodicSite: Li (19.43, 13.36, 14.32) [0.9564, 0.6575, 0.7048]\n", + " PeriodicSite: Li (8.704, 0.5612, 2.051) [0.4285, 0.02762, 0.101]\n", + " PeriodicSite: Li (8.174, 2.103, 10.46) [0.4024, 0.1035, 0.5152]\n", + " PeriodicSite: Li (6.681, 12.05, 5.008) [0.3289, 0.5931, 0.2465]\n", + " PeriodicSite: Li (5.399, 13.31, 11.79) [0.2658, 0.6553, 0.5806]\n", + " PeriodicSite: Li (17.1, 2.972, 0.3213) [0.8417, 0.1463, 0.01582]\n", + " PeriodicSite: Li (2.053, 6.664, 14.65) [0.1011, 0.3281, 0.7212]\n", + " PeriodicSite: Li (2.825, 15.32, 7.742) [0.1391, 0.7542, 0.3811]\n", + " PeriodicSite: Li (16.76, 13.44, 10.7) [0.8251, 0.6618, 0.527]\n", + " PeriodicSite: Li (12.32, 6.981, 5.134) [0.6063, 0.3437, 0.2528]\n", + " PeriodicSite: Li (5.337, 7.882, 17.38) [0.2627, 0.3881, 0.8554]\n", + " PeriodicSite: Li (5.698, 17.26, 9.26) [0.2805, 0.8497, 0.4559]\n", + " PeriodicSite: Li (7.223, 15.89, 19.62) [0.3556, 0.7824, 0.9661]\n", + " PeriodicSite: Li (15.84, 9.2, 7.345) [0.7799, 0.4529, 0.3616]\n", + " PeriodicSite: Li (3.176, 5.061, 18.53) [0.1564, 0.2491, 0.9121]\n", + " PeriodicSite: Li (17.11, 19.11, 5.745) [0.8424, 0.9408, 0.2828]\n", + " PeriodicSite: Li (19.99, 18.89, 18.35) [0.9842, 0.9299, 0.9035]\n", + " PeriodicSite: Li (6.803, 8.496, 4.676) [0.3349, 0.4183, 0.2302]\n", + " PeriodicSite: Li (8.823, 5.615, 16.93) [0.4343, 0.2765, 0.8337]\n", + " PeriodicSite: Li (8.553, 20.14, 7.943) [0.4211, 0.9917, 0.391]\n", + " PeriodicSite: Li (6.484, 20.31, 17.22) [0.3192, 0.9999, 0.8479]\n", + " PeriodicSite: Li (18.26, 10.39, 8.049) [0.899, 0.5113, 0.3963]\n", + " PeriodicSite: Li (18.25, 7.345, 15.31) [0.8987, 0.3616, 0.7537]\n", + " PeriodicSite: Li (18.19, 19.73, 8.758) [0.8957, 0.9714, 0.4312]\n", + " PeriodicSite: Li (18.27, 15.76, 17.49) [0.8992, 0.7757, 0.861]\n", + " PeriodicSite: Li (6.831, 5.608, 8.726) [0.3363, 0.2761, 0.4296]\n", + " PeriodicSite: Li (7.103, 6.059, 19.56) [0.3497, 0.2983, 0.9631]\n", + " PeriodicSite: Li (8.433, 18.3, 10.44) [0.4151, 0.9008, 0.5137]\n", + " PeriodicSite: Li (11.92, 13.7, 15.76) [0.5867, 0.6747, 0.7759]\n", + " PeriodicSite: Li (20.06, 7.176, 7.213) [0.9876, 0.3533, 0.3551]\n", + " PeriodicSite: Li (18.54, 5.186, 16.93) [0.9128, 0.2553, 0.8332]\n", + " PeriodicSite: Li (17.34, 16.65, 10.2) [0.8535, 0.8198, 0.5023]\n", + " PeriodicSite: Li (16.75, 17.19, 19.99) [0.8247, 0.8464, 0.9842]\n", + " PeriodicSite: Li (9.57, 8.567, 8.055) [0.4711, 0.4217, 0.3965]\n", + " PeriodicSite: Li (8.354, 8.593, 0.5595) [0.4113, 0.423, 0.02755]\n", + " PeriodicSite: Li (4.957, 19.08, 7.204) [0.2441, 0.9394, 0.3547]\n", + " PeriodicSite: Li (7.678, 14.94, 2.371) [0.378, 0.7357, 0.1167]\n", + " PeriodicSite: Li (15.62, 6.953, 9.007) [0.7688, 0.3423, 0.4434]\n", + " PeriodicSite: Li (19.95, 8.556, 17.79) [0.9822, 0.4212, 0.8756]\n", + " PeriodicSite: Li (15.35, 18.84, 7.535) [0.7559, 0.9273, 0.3709]\n", + " PeriodicSite: Li (16.73, 18.13, 15.75) [0.8236, 0.8927, 0.7756]\n", + " PeriodicSite: Li (6.886, 4.699, 11.43) [0.339, 0.2314, 0.5627]\n", + " PeriodicSite: Li (7.092, 9.869, 17.31) [0.3491, 0.4859, 0.8522]\n", + " PeriodicSite: Li (10.04, 17.7, 6.64) [0.4944, 0.8712, 0.3269]\n", + " PeriodicSite: Li (10.66, 18.15, 0.9342) [0.5247, 0.8935, 0.04599]\n", + " PeriodicSite: Li (17.51, 8.165, 5.253) [0.862, 0.4019, 0.2586]\n", + " PeriodicSite: Li (15.21, 2.989, 18.52) [0.7487, 0.1471, 0.9117]\n", + " PeriodicSite: Li (19.38, 16.91, 7.541) [0.9541, 0.8323, 0.3712]\n", + " PeriodicSite: Li (18.37, 20.08, 1.832) [0.9044, 0.9883, 0.0902]\n", + " PeriodicSite: Li (3.149, 10.02, 3.277) [0.155, 0.4934, 0.1614]\n", + " PeriodicSite: Li (9.742, 8.47, 18.13) [0.4796, 0.417, 0.8924]\n", + " PeriodicSite: Li (7.887, 15.73, 6.63) [0.3883, 0.7746, 0.3264]\n", + " PeriodicSite: Li (9.202, 18.57, 18.61) [0.453, 0.914, 0.9162]\n", + " PeriodicSite: Li (17.96, 5.246, 6.224) [0.884, 0.2582, 0.3064]\n", + " PeriodicSite: Li (17.18, 12.09, 15.31) [0.8457, 0.5951, 0.7539]\n", + " PeriodicSite: Li (18.42, 13.98, 4.512) [0.9068, 0.6882, 0.2222]\n", + " PeriodicSite: Li (13.34, 1.074, 14.26) [0.6569, 0.05289, 0.7022]\n", + " PeriodicSite: Cl (7.533, 12.55, 12.67) [0.3709, 0.6178, 0.6238]\n", + " PeriodicSite: Cl (2.789, 12.46, 17.43) [0.1373, 0.6134, 0.8582]\n", + " PeriodicSite: Cl (13.21, 17.33, 12.84) [0.6506, 0.8532, 0.6323]\n", + " PeriodicSite: Cl (17.78, 7.271, 17.73) [0.8755, 0.358, 0.8729]\n", + " PeriodicSite: Cl (7.277, 2.44, 2.05) [0.3582, 0.1201, 0.1009]\n", + " PeriodicSite: Cl (7.513, 7.496, 7.162) [0.3699, 0.369, 0.3526]\n", + " PeriodicSite: Cl (12.8, 12.69, 7.108) [0.6303, 0.6248, 0.3499]\n", + " PeriodicSite: Cl (2.47, 7.899, 2.401) [0.1216, 0.3889, 0.1182]\n", + " PeriodicSite: Cl (2.979, 7.611, 12.51) [0.1467, 0.3747, 0.6158]\n", + " PeriodicSite: Cl (12.49, 12.9, 17.82) [0.6147, 0.6351, 0.8771]\n", + " PeriodicSite: Cl (17.76, 18.14, 17.67) [0.8743, 0.8932, 0.8697]\n", + " PeriodicSite: Cl (2.517, 2.415, 7.47) [0.1239, 0.1189, 0.3678]\n", + " PeriodicSite: Cl (12.57, 2.388, 18.33) [0.6187, 0.1175, 0.9025]\n", + " PeriodicSite: Cl (12.72, 7.903, 2.531) [0.6264, 0.3891, 0.1246]\n", + " PeriodicSite: Cl (17.52, 2.553, 12.86) [0.8624, 0.1257, 0.6331]\n", + " PeriodicSite: Cl (7.11, 17.59, 17.98) [0.35, 0.8662, 0.8852]\n", + " PeriodicSite: Cl (0.4568, 0.3468, 0.2431) [0.02249, 0.01707, 0.01197]\n", + " PeriodicSite: Cl (19.92, 0.3106, 10.33) [0.9808, 0.01528, 0.5086]\n", + " PeriodicSite: Cl (0.002948, 10.1, 19.76) [0.0001459, 0.4971, 0.9728]\n", + " PeriodicSite: Cl (19.87, 10.18, 10.02) [0.9782, 0.501, 0.4935]\n", + " PeriodicSite: Cl (10.06, 20.12, 0.1828) [0.4954, 0.9904, 0.009003]\n", + " PeriodicSite: Cl (9.847, 0.2065, 10.18) [0.4848, 0.01016, 0.5011]\n", + " PeriodicSite: Cl (9.821, 10.38, 19.99) [0.4835, 0.5111, 0.9843]\n", + " PeriodicSite: Cl (9.936, 10.03, 9.952) [0.4891, 0.4936, 0.4899]\n", + " PeriodicSite: Cl (20.15, 5.124, 4.811) [0.9922, 0.2523, 0.2368]\n", + " PeriodicSite: Cl (20.17, 5.274, 15.04) [0.993, 0.2596, 0.7403]\n", + " PeriodicSite: Cl (0.2383, 14.72, 5.209) [0.01172, 0.7247, 0.2565]\n", + " PeriodicSite: Cl (0.2222, 15.26, 15.19) [0.01094, 0.7512, 0.7478]\n", + " PeriodicSite: Cl (10.52, 5.439, 4.803) [0.5179, 0.2678, 0.2364]\n", + " PeriodicSite: Cl (10.04, 5.176, 15.03) [0.4943, 0.2548, 0.7398]\n", + " PeriodicSite: Cl (10.08, 15.22, 5.383) [0.4962, 0.7493, 0.265]\n", + " PeriodicSite: Cl (10.52, 15.69, 15.12) [0.5179, 0.7724, 0.7442]\n", + " PeriodicSite: S (4.903, 0.05988, 5.142) [0.2414, 0.002946, 0.2532]\n", + " PeriodicSite: S (4.991, 0.1882, 15.18) [0.2457, 0.009263, 0.7472]\n", + " PeriodicSite: S (5.213, 9.94, 5.087) [0.2567, 0.4894, 0.2504]\n", + " PeriodicSite: S (5.268, 10.09, 15.4) [0.2593, 0.4969, 0.7581]\n", + " PeriodicSite: S (14.98, 19.85, 5.539) [0.7375, 0.9772, 0.2727]\n", + " PeriodicSite: S (15.56, 0.08057, 15.17) [0.7661, 0.003961, 0.7471]\n", + " PeriodicSite: S (15.66, 10.16, 5.179) [0.771, 0.5003, 0.255]\n", + " PeriodicSite: S (15.27, 10.17, 15.49) [0.752, 0.5005, 0.7624]\n", + " PeriodicSite: S (5.078, 4.797, 0.0009424) [0.25, 0.2361, 4.817e-05]\n", + " PeriodicSite: S (5.132, 4.869, 10.13) [0.2526, 0.2397, 0.4989]\n", + " PeriodicSite: S (5.322, 15.1, 0.09684) [0.262, 0.7432, 0.00477]\n", + " PeriodicSite: S (5.409, 15.21, 10.46) [0.2663, 0.7487, 0.5147]\n", + " PeriodicSite: S (15.15, 4.675, 20.31) [0.746, 0.2302, 0.9999]\n", + " PeriodicSite: S (14.48, 5.277, 10.14) [0.7129, 0.2598, 0.4993]\n", + " PeriodicSite: S (15.41, 15.49, 0.5238) [0.7585, 0.7624, 0.02579]\n", + " PeriodicSite: S (15.15, 15.35, 10.4) [0.7461, 0.7557, 0.5122]\n", + " PeriodicSite: S (8.829, 3.831, 8.659) [0.4347, 0.1886, 0.4263]\n", + " PeriodicSite: S (9.117, 3.963, 18.94) [0.4488, 0.1951, 0.9325]\n", + " PeriodicSite: S (8.688, 14.07, 9.05) [0.4277, 0.6929, 0.4455]\n", + " PeriodicSite: S (8.866, 13.98, 18.9) [0.4365, 0.6882, 0.9302]\n", + " PeriodicSite: S (19.11, 3.869, 8.919) [0.941, 0.1905, 0.4391]\n", + " PeriodicSite: S (18.83, 4.131, 19.38) [0.9272, 0.2034, 0.9539]\n", + " PeriodicSite: S (18.61, 14.14, 9.525) [0.9162, 0.6963, 0.4689]\n", + " PeriodicSite: S (19.13, 14.2, 18.9) [0.9417, 0.6989, 0.9306]\n", + " PeriodicSite: S (3.981, 1.444, 1.395) [0.196, 0.07109, 0.06869]\n", + " PeriodicSite: S (3.909, 0.9679, 11.59) [0.1924, 0.04765, 0.5706]\n", + " PeriodicSite: S (3.445, 10.89, 1.138) [0.1696, 0.536, 0.05601]\n", + " PeriodicSite: S (3.796, 11.7, 11.43) [0.1869, 0.5761, 0.5629]\n", + " PeriodicSite: S (14.19, 1.195, 1.337) [0.6988, 0.05881, 0.06583]\n", + " PeriodicSite: S (14.14, 1.181, 11.89) [0.6959, 0.05813, 0.5853]\n", + " PeriodicSite: S (13.93, 11.04, 1.417) [0.6859, 0.5437, 0.06979]\n", + " PeriodicSite: S (14.1, 11.5, 11.35) [0.6943, 0.5662, 0.5588]\n", + " PeriodicSite: S (6.214, 0.7038, 9.06) [0.3059, 0.03465, 0.446]\n", + " PeriodicSite: S (5.913, 1.282, 19.09) [0.2911, 0.0631, 0.94]\n", + " PeriodicSite: S (6.232, 11.45, 9.034) [0.3068, 0.5636, 0.4448]\n", + " PeriodicSite: S (5.821, 11.3, 19.05) [0.2866, 0.5565, 0.9378]\n", + " PeriodicSite: S (16.35, 1.245, 9.425) [0.8048, 0.06128, 0.464]\n", + " PeriodicSite: S (16.4, 1.052, 19.2) [0.8072, 0.05177, 0.9454]\n", + " PeriodicSite: S (16.32, 11.54, 9.019) [0.8033, 0.5681, 0.444]\n", + " PeriodicSite: S (16.45, 11.55, 19.49) [0.81, 0.5686, 0.9597]\n", + " PeriodicSite: S (1.318, 4.303, 1.078) [0.06489, 0.2118, 0.05306]\n", + " PeriodicSite: S (1.016, 3.803, 11.28) [0.05003, 0.1872, 0.5555]\n", + " PeriodicSite: S (1.3, 14.27, 0.7435) [0.06398, 0.7027, 0.03661]\n", + " PeriodicSite: S (0.7976, 13.87, 11.84) [0.03926, 0.6826, 0.5829]\n", + " PeriodicSite: S (11.48, 4.21, 1.091) [0.565, 0.2072, 0.05371]\n", + " PeriodicSite: S (10.92, 3.877, 11.28) [0.5378, 0.1909, 0.5552]\n", + " PeriodicSite: S (11.01, 14.14, 1.073) [0.542, 0.696, 0.05281]\n", + " PeriodicSite: S (11.67, 13.96, 11.01) [0.5744, 0.6874, 0.5419]\n", + " PeriodicSite: S (2.7, 2.948, 17.77) [0.1329, 0.1452, 0.875]\n", + " PeriodicSite: S (2.644, 12.74, 7.894) [0.1302, 0.6271, 0.3886]\n", + " PeriodicSite: S (12.83, 2.574, 7.722) [0.6317, 0.1267, 0.3802]\n", + " PeriodicSite: S (8.997, 8.911, 3.58) [0.4429, 0.4387, 0.1763]\n", + " PeriodicSite: S (9.132, 9.21, 13.63) [0.4496, 0.4534, 0.6709]\n", + " PeriodicSite: S (8.906, 18.95, 3.654) [0.4385, 0.9329, 0.1799]\n", + " PeriodicSite: S (9.308, 19.21, 13.94) [0.4583, 0.9457, 0.6862]\n", + " PeriodicSite: S (19.03, 9.512, 3.79) [0.9366, 0.4683, 0.1866]\n", + " PeriodicSite: S (19.05, 8.894, 13.88) [0.9379, 0.4379, 0.6835]\n", + " PeriodicSite: S (19.15, 19.16, 3.933) [0.9426, 0.9431, 0.1936]\n", + " PeriodicSite: S (19.5, 19.22, 14.7) [0.9602, 0.9461, 0.7236]\n", + " PeriodicSite: S (3.936, 5.917, 6.569) [0.1938, 0.2913, 0.3234]\n", + " PeriodicSite: S (3.985, 6.458, 16.17) [0.1962, 0.3179, 0.7961]\n", + " PeriodicSite: S (3.827, 16.52, 6.141) [0.1884, 0.8132, 0.3023]\n", + " PeriodicSite: S (3.522, 16.5, 16.68) [0.1734, 0.8123, 0.8212]\n", + " PeriodicSite: S (14.05, 6.188, 6.365) [0.6918, 0.3046, 0.3134]\n", + " PeriodicSite: S (13.81, 6.351, 16.21) [0.68, 0.3126, 0.7979]\n", + " PeriodicSite: S (13.92, 16.41, 6.638) [0.6853, 0.8078, 0.3268]\n", + " PeriodicSite: S (14.1, 16.24, 16.74) [0.6942, 0.7996, 0.8244]\n", + " PeriodicSite: S (5.981, 6.31, 3.739) [0.2944, 0.3107, 0.1841]\n", + " PeriodicSite: S (6.406, 6.262, 13.85) [0.3154, 0.3083, 0.682]\n", + " PeriodicSite: S (6.189, 16.39, 3.821) [0.3047, 0.8069, 0.1881]\n", + " PeriodicSite: S (6.072, 16.55, 14.36) [0.2989, 0.8147, 0.707]\n", + " PeriodicSite: S (16.34, 5.739, 3.882) [0.8046, 0.2825, 0.1911]\n", + " PeriodicSite: S (16.41, 6.211, 13.95) [0.8078, 0.3058, 0.6867]\n", + " PeriodicSite: S (15.96, 16.63, 4.105) [0.7857, 0.8189, 0.2021]\n", + " PeriodicSite: S (16.31, 16.54, 14.23) [0.8028, 0.8143, 0.7003]\n", + " PeriodicSite: S (1.334, 9.084, 6.252) [0.06566, 0.4472, 0.3078]\n", + " PeriodicSite: S (1.375, 8.731, 16.12) [0.0677, 0.4299, 0.7937]\n", + " PeriodicSite: S (1.209, 19.37, 6.362) [0.05952, 0.9535, 0.3132]\n", + " PeriodicSite: S (1.464, 19.7, 16.86) [0.07207, 0.9698, 0.8301]\n", + " PeriodicSite: S (11.19, 9.0, 6.334) [0.5511, 0.4431, 0.3118]\n", + " PeriodicSite: S (11.41, 9.231, 16.22) [0.5618, 0.4544, 0.7986]\n", + " PeriodicSite: S (11.43, 19.46, 5.77) [0.5629, 0.9579, 0.2841]\n", + " PeriodicSite: S (12.0, 19.21, 15.79) [0.5909, 0.9459, 0.7773]\n", + " PeriodicSite: S (2.649, 17.94, 2.463) [0.1304, 0.8834, 0.1213]\n", + " PeriodicSite: S (2.463, 17.77, 13.39) [0.1213, 0.8747, 0.6594]\n", + " PeriodicSite: S (12.77, 7.455, 12.71) [0.6288, 0.367, 0.6256]\n", + " PeriodicSite: S (12.58, 17.85, 2.396) [0.6195, 0.8787, 0.118]\n", + " PeriodicSite: S (3.817, 3.714, 4.084) [0.1879, 0.1829, 0.201]\n", + " PeriodicSite: S (3.701, 4.006, 13.99) [0.1822, 0.1972, 0.6888]\n", + " PeriodicSite: S (3.793, 13.95, 3.955) [0.1867, 0.6867, 0.1947]\n", + " PeriodicSite: S (3.788, 14.08, 14.44) [0.1865, 0.6934, 0.7111]\n", + " PeriodicSite: S (14.0, 3.46, 4.117) [0.6893, 0.1703, 0.2027]\n", + " PeriodicSite: S (14.32, 3.773, 13.93) [0.7052, 0.1857, 0.6859]\n", + " PeriodicSite: S (13.87, 14.04, 4.274) [0.6827, 0.6913, 0.2104]\n", + " PeriodicSite: S (14.16, 13.89, 14.39) [0.6971, 0.6836, 0.7086]\n", + " PeriodicSite: S (8.755, 1.291, 5.965) [0.431, 0.06357, 0.2937]\n", + " PeriodicSite: S (9.05, 0.2776, 17.12) [0.4455, 0.01366, 0.843]\n", + " PeriodicSite: S (8.86, 11.17, 5.982) [0.4362, 0.5497, 0.2945]\n", + " PeriodicSite: S (8.538, 11.09, 16.2) [0.4204, 0.5462, 0.7976]\n", + " PeriodicSite: S (18.67, 0.8409, 6.457) [0.9192, 0.04139, 0.3179]\n", + " PeriodicSite: S (19.41, 1.787, 16.68) [0.9557, 0.08797, 0.8214]\n", + " PeriodicSite: S (19.5, 11.62, 6.346) [0.9599, 0.5721, 0.3124]\n", + " PeriodicSite: S (19.2, 10.9, 16.68) [0.945, 0.5367, 0.8212]\n", + " PeriodicSite: S (1.012, 1.457, 4.204) [0.04981, 0.07173, 0.207]\n", + " PeriodicSite: S (1.371, 1.577, 14.35) [0.06752, 0.07762, 0.7065]\n", + " PeriodicSite: S (1.277, 11.56, 3.831) [0.06288, 0.569, 0.1886]\n", + " PeriodicSite: S (1.08, 11.36, 13.98) [0.05317, 0.5594, 0.6881]\n", + " PeriodicSite: S (10.75, 1.454, 3.503) [0.5292, 0.07157, 0.1725]\n", + " PeriodicSite: S (10.44, 1.862, 14.78) [0.5142, 0.09166, 0.7276]\n", + " PeriodicSite: S (11.13, 11.34, 3.803) [0.5481, 0.5581, 0.1873]\n", + " PeriodicSite: S (11.39, 11.58, 14.1) [0.5608, 0.5701, 0.6944]\n", + " PeriodicSite: S (6.648, 4.24, 6.267) [0.3273, 0.2087, 0.3085]\n", + " PeriodicSite: S (6.128, 3.744, 16.01) [0.3017, 0.1843, 0.7884]\n", + " PeriodicSite: S (6.179, 14.09, 6.432) [0.3042, 0.6935, 0.3167]\n", + " PeriodicSite: S (6.184, 14.23, 16.8) [0.3044, 0.7007, 0.827]\n", + " PeriodicSite: S (16.38, 3.641, 6.485) [0.8064, 0.1793, 0.3193]\n", + " PeriodicSite: S (16.34, 3.991, 16.61) [0.8043, 0.1965, 0.8175]\n", + " PeriodicSite: S (16.62, 14.31, 6.37) [0.8183, 0.7046, 0.3136]\n", + " PeriodicSite: S (16.74, 14.4, 16.67) [0.8239, 0.7088, 0.8207]\n", + " PeriodicSite: S (7.238, 2.409, 12.56) [0.3563, 0.1186, 0.6185]\n", + " PeriodicSite: S (7.174, 12.46, 2.488) [0.3532, 0.6132, 0.1225]\n", + " PeriodicSite: S (17.68, 2.104, 2.349) [0.8706, 0.1036, 0.1157]\n", + " PeriodicSite: S (17.69, 12.9, 2.393) [0.8707, 0.6349, 0.1178]\n", + " PeriodicSite: S (17.55, 12.72, 12.87) [0.8638, 0.6262, 0.6335]\n", + " PeriodicSite: S (3.691, 9.351, 8.845) [0.1817, 0.4604, 0.4354]\n", + " PeriodicSite: S (3.701, 8.684, 19.06) [0.1822, 0.4275, 0.9382]\n", + " PeriodicSite: S (3.77, 18.81, 9.364) [0.1856, 0.9261, 0.461]\n", + " PeriodicSite: S (3.757, 19.22, 19.49) [0.1849, 0.9463, 0.9595]\n", + " PeriodicSite: S (13.93, 9.306, 8.842) [0.6856, 0.4581, 0.4353]\n", + " PeriodicSite: S (14.06, 9.198, 19.0) [0.692, 0.4528, 0.9356]\n", + " PeriodicSite: S (13.91, 19.26, 9.374) [0.6849, 0.9483, 0.4615]\n", + " PeriodicSite: S (14.09, 19.12, 19.12) [0.6935, 0.9413, 0.9411]\n", + " PeriodicSite: S (8.78, 6.166, 1.227) [0.4322, 0.3036, 0.0604]\n", + " PeriodicSite: S (8.552, 6.11, 10.93) [0.421, 0.3008, 0.5379]\n", + " PeriodicSite: S (9.02, 16.68, 0.4806) [0.4441, 0.8213, 0.02366]\n", + " PeriodicSite: S (9.439, 16.12, 11.57) [0.4647, 0.7934, 0.5698]\n", + " PeriodicSite: S (19.25, 6.442, 1.447) [0.9476, 0.3171, 0.07122]\n", + " PeriodicSite: S (19.49, 6.406, 10.99) [0.9596, 0.3153, 0.5412]\n", + " PeriodicSite: S (18.86, 16.7, 1.079) [0.9287, 0.8223, 0.05315]\n", + " PeriodicSite: S (19.15, 16.73, 11.63) [0.9427, 0.8237, 0.5725]\n", + " PeriodicSite: S (1.388, 6.003, 8.508) [0.06833, 0.2955, 0.4189]\n", + " PeriodicSite: S (0.8, 6.407, 18.83) [0.03938, 0.3154, 0.9271]\n", + " PeriodicSite: S (0.9958, 15.89, 9.126) [0.04902, 0.7824, 0.4493]\n", + " PeriodicSite: S (0.8142, 16.79, 18.91) [0.04008, 0.8268, 0.9308]\n", + " PeriodicSite: S (11.06, 6.288, 8.954) [0.5445, 0.3096, 0.4408]\n", + " PeriodicSite: S (11.13, 6.688, 19.15) [0.5478, 0.3293, 0.943]\n", + " PeriodicSite: S (11.43, 16.44, 8.819) [0.5627, 0.8095, 0.4342]\n", + " PeriodicSite: S (11.44, 16.17, 18.79) [0.5634, 0.7959, 0.9251]\n", + " PeriodicSite: S (5.947, 8.882, 1.24) [0.2928, 0.4373, 0.06103]\n", + " PeriodicSite: S (5.947, 9.043, 11.17) [0.2928, 0.4452, 0.5501]\n", + " PeriodicSite: S (6.394, 19.22, 1.004) [0.3148, 0.9462, 0.04942]\n", + " PeriodicSite: S (6.369, 18.86, 11.45) [0.3135, 0.9283, 0.5637]\n", + " PeriodicSite: S (16.38, 8.799, 1.041) [0.8065, 0.4332, 0.05124]\n", + " PeriodicSite: S (16.36, 8.72, 11.16) [0.8052, 0.4293, 0.5494]\n", + " PeriodicSite: S (16.27, 19.07, 1.327) [0.8011, 0.9388, 0.06534]\n", + " PeriodicSite: S (16.32, 19.15, 11.64) [0.8033, 0.943, 0.5732]\n", + " PeriodicSite: S (7.749, 7.435, 17.5) [0.3815, 0.366, 0.8615]\n", + " PeriodicSite: S (7.829, 17.84, 7.63) [0.3854, 0.8785, 0.3756]\n", + " PeriodicSite: S (17.83, 7.615, 7.552) [0.8776, 0.3749, 0.3718]\n", + " PeriodicSite: S (17.21, 17.52, 7.75) [0.8471, 0.8625, 0.3816]\n", + " PeriodicSite: P (4.957, 0.09795, 0.1973) [0.244, 0.00482, 0.009714]\n", + " PeriodicSite: P (5.049, 19.99, 10.37) [0.2485, 0.9839, 0.5105]\n", + " PeriodicSite: P (4.798, 10.03, 20.22) [0.2362, 0.4938, 0.9955]\n", + " PeriodicSite: P (4.856, 10.31, 10.12) [0.2391, 0.5075, 0.4981]\n", + " PeriodicSite: P (15.15, 20.27, 0.0005903) [0.746, 0.9977, 3.483e-05]\n", + " PeriodicSite: P (15.24, 20.28, 10.55) [0.7501, 0.9985, 0.5193]\n", + " PeriodicSite: P (15.26, 10.09, 20.27) [0.7511, 0.4968, 0.998]\n", + " PeriodicSite: P (15.23, 10.18, 10.16) [0.7499, 0.5014, 0.5004]\n", + " PeriodicSite: P (5.113, 5.024, 5.097) [0.2517, 0.2473, 0.2509]\n", + " PeriodicSite: P (5.086, 5.199, 14.9) [0.2504, 0.2559, 0.7334]\n", + " PeriodicSite: P (5.081, 15.16, 5.082) [0.2501, 0.7463, 0.2502]\n", + " PeriodicSite: P (4.95, 15.34, 15.56) [0.2437, 0.7551, 0.7661]\n", + " PeriodicSite: P (15.05, 4.869, 5.135) [0.7411, 0.2397, 0.2528]\n", + " PeriodicSite: P (15.11, 5.167, 15.29) [0.7441, 0.2544, 0.7525]\n", + " PeriodicSite: P (15.1, 15.32, 5.37) [0.7432, 0.7541, 0.2644]\n", + " PeriodicSite: P (15.34, 15.25, 15.44) [0.7552, 0.7507, 0.7601]\n", + " PeriodicSite: P (20.18, 0.02763, 5.177) [0.9936, 0.001352, 0.2549]\n", + " PeriodicSite: P (0.2828, 0.4782, 15.67) [0.01393, 0.02354, 0.7714]\n", + " PeriodicSite: P (0.09785, 10.33, 5.082) [0.004814, 0.5088, 0.2502]\n", + " PeriodicSite: P (20.31, 10.01, 15.19) [0.9999, 0.4927, 0.7477]\n", + " PeriodicSite: P (9.906, 20.29, 4.819) [0.4877, 0.9991, 0.2373]\n", + " PeriodicSite: P (10.25, 20.29, 15.48) [0.5044, 0.999, 0.7621]\n", + " PeriodicSite: P (10.05, 10.04, 4.864) [0.4949, 0.4941, 0.2395]\n", + " PeriodicSite: P (10.18, 10.29, 15.11) [0.501, 0.5065, 0.7441]\n", + " PeriodicSite: P (20.13, 5.309, 0.05992) [0.9911, 0.2614, 0.002956]\n", + " PeriodicSite: P (0.1314, 5.002, 9.88) [0.006471, 0.2463, 0.4864]\n", + " PeriodicSite: P (20.11, 15.43, 20.2) [0.9898, 0.7595, 0.9944]\n", + " PeriodicSite: P (20.06, 15.07, 10.61) [0.9876, 0.7419, 0.5222]\n", + " PeriodicSite: P (10.1, 5.232, 20.18) [0.4974, 0.2576, 0.9934]\n", + " PeriodicSite: P (9.9, 4.994, 9.986) [0.4874, 0.2458, 0.4916]\n", + " PeriodicSite: P (10.12, 15.22, 19.95) [0.4984, 0.7493, 0.9822]\n", + " PeriodicSite: P (10.36, 15.22, 10.06) [0.5102, 0.7495, 0.4954],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.756, 4.613, 5.893) [0.08647, 0.2271, 0.2901]\n", + " PeriodicSite: Li (0.8444, 3.036, 15.91) [0.04157, 0.1495, 0.7832]\n", + " PeriodicSite: Li (2.891, 13.39, 10.09) [0.1423, 0.6591, 0.4965]\n", + " PeriodicSite: Li (2.164, 14.45, 16.26) [0.1065, 0.7111, 0.8004]\n", + " PeriodicSite: Li (14.88, 0.9897, 7.432) [0.7328, 0.04872, 0.3659]\n", + " PeriodicSite: Li (11.88, 3.646, 16.24) [0.5849, 0.1795, 0.7996]\n", + " PeriodicSite: Li (15.56, 12.36, 3.432) [0.766, 0.6083, 0.169]\n", + " PeriodicSite: Li (16.96, 10.09, 16.73) [0.8347, 0.4968, 0.8235]\n", + " PeriodicSite: Li (4.003, 4.733, 7.967) [0.1971, 0.233, 0.3922]\n", + " PeriodicSite: Li (4.155, 0.6516, 17.57) [0.2046, 0.03208, 0.865]\n", + " PeriodicSite: Li (6.324, 9.757, 6.907) [0.3114, 0.4803, 0.34]\n", + " PeriodicSite: Li (6.722, 10.61, 13.63) [0.3309, 0.5226, 0.6711]\n", + " PeriodicSite: Li (12.3, 4.179, 5.737) [0.6054, 0.2058, 0.2825]\n", + " PeriodicSite: Li (14.11, 6.694, 19.29) [0.6946, 0.3295, 0.9496]\n", + " PeriodicSite: Li (10.52, 7.987, 11.62) [0.5181, 0.3932, 0.5721]\n", + " PeriodicSite: Li (11.77, 16.79, 16.53) [0.5792, 0.8265, 0.814]\n", + " PeriodicSite: Li (2.819, 0.9901, 5.95) [0.1388, 0.04874, 0.2929]\n", + " PeriodicSite: Li (3.495, 2.271, 15.64) [0.1721, 0.1118, 0.7697]\n", + " PeriodicSite: Li (3.365, 11.05, 6.594) [0.1657, 0.5442, 0.3246]\n", + " PeriodicSite: Li (4.91, 12.42, 16.01) [0.2417, 0.6112, 0.788]\n", + " PeriodicSite: Li (12.3, 0.8684, 9.22) [0.6056, 0.04275, 0.4539]\n", + " PeriodicSite: Li (10.35, 1.437, 18.98) [0.5097, 0.07074, 0.9345]\n", + " PeriodicSite: Li (13.46, 13.27, 9.684) [0.6627, 0.6532, 0.4768]\n", + " PeriodicSite: Li (10.18, 12.03, 19.0) [0.501, 0.5924, 0.9354]\n", + " PeriodicSite: Li (0.6887, 2.565, 8.553) [0.03391, 0.1263, 0.4211]\n", + " PeriodicSite: Li (3.001, 3.607, 20.1) [0.1477, 0.1776, 0.9894]\n", + " PeriodicSite: Li (0.2083, 13.95, 7.708) [0.01025, 0.6868, 0.3795]\n", + " PeriodicSite: Li (4.671, 13.41, 18.97) [0.23, 0.6603, 0.9339]\n", + " PeriodicSite: Li (13.05, 0.9821, 5.701) [0.6425, 0.04834, 0.2807]\n", + " PeriodicSite: Li (13.69, 0.4717, 17.3) [0.674, 0.02322, 0.8517]\n", + " PeriodicSite: Li (10.44, 11.85, 8.308) [0.5138, 0.5834, 0.409]\n", + " PeriodicSite: Li (14.53, 13.85, 18.41) [0.7155, 0.682, 0.9062]\n", + " PeriodicSite: Li (6.174, 1.96, 6.102) [0.304, 0.09651, 0.3004]\n", + " PeriodicSite: Li (1.048, 1.22, 18.65) [0.05158, 0.06009, 0.9183]\n", + " PeriodicSite: Li (5.59, 13.51, 8.519) [0.2752, 0.6649, 0.4194]\n", + " PeriodicSite: Li (1.189, 18.23, 15.18) [0.05855, 0.8972, 0.7473]\n", + " PeriodicSite: Li (15.45, 3.453, 8.688) [0.7609, 0.17, 0.4277]\n", + " PeriodicSite: Li (13.2, 3.002, 0.1426) [0.6499, 0.1478, 0.007023]\n", + " PeriodicSite: Li (16.04, 15.84, 8.11) [0.7897, 0.7797, 0.3993]\n", + " PeriodicSite: Li (13.62, 14.06, 1.532) [0.6707, 0.6922, 0.07541]\n", + " PeriodicSite: Li (5.841, 0.9033, 3.33) [0.2875, 0.04447, 0.1639]\n", + " PeriodicSite: Li (5.072, 3.256, 17.99) [0.2497, 0.1603, 0.8859]\n", + " PeriodicSite: Li (2.095, 13.35, 5.197) [0.1031, 0.6572, 0.2559]\n", + " PeriodicSite: Li (20.2, 13.41, 2.834) [0.9945, 0.6604, 0.1395]\n", + " PeriodicSite: Li (10.33, 1.798, 7.732) [0.5087, 0.08851, 0.3807]\n", + " PeriodicSite: Li (17.18, 0.126, 16.7) [0.8456, 0.006194, 0.8222]\n", + " PeriodicSite: Li (14.88, 11.9, 6.873) [0.7326, 0.5859, 0.3384]\n", + " PeriodicSite: Li (12.98, 10.7, 15.91) [0.6389, 0.5268, 0.7833]\n", + " PeriodicSite: Li (3.244, 10.25, 17.01) [0.1597, 0.5045, 0.8376]\n", + " PeriodicSite: Li (1.736, 10.56, 8.697) [0.08549, 0.5199, 0.4281]\n", + " PeriodicSite: Li (4.476, 16.67, 19.1) [0.2203, 0.8209, 0.9402]\n", + " PeriodicSite: Li (2.131, 18.58, 10.42) [0.1049, 0.9149, 0.5131]\n", + " PeriodicSite: Li (13.6, 5.915, 2.159) [0.6695, 0.2912, 0.1063]\n", + " PeriodicSite: Li (14.71, 7.889, 15.81) [0.7244, 0.3884, 0.7781]\n", + " PeriodicSite: Li (11.68, 14.61, 6.525) [0.5749, 0.7194, 0.3212]\n", + " PeriodicSite: Li (15.01, 18.26, 13.29) [0.7391, 0.8992, 0.6545]\n", + " PeriodicSite: Li (3.954, 7.066, 0.6201) [0.1947, 0.3479, 0.03053]\n", + " PeriodicSite: Li (2.953, 5.219, 11.98) [0.1454, 0.2569, 0.5896]\n", + " PeriodicSite: Li (4.928, 17.48, 2.154) [0.2426, 0.8605, 0.1061]\n", + " PeriodicSite: Li (4.46, 18.18, 15.3) [0.2195, 0.8949, 0.7532]\n", + " PeriodicSite: Li (16.83, 5.984, 20.06) [0.8286, 0.2946, 0.9874]\n", + " PeriodicSite: Li (13.06, 4.92, 12.17) [0.643, 0.2422, 0.5993]\n", + " PeriodicSite: Li (13.27, 18.71, 4.63) [0.6535, 0.9213, 0.2279]\n", + " PeriodicSite: Li (10.89, 17.71, 13.92) [0.5363, 0.8718, 0.6852]\n", + " PeriodicSite: Li (0.9917, 7.816, 0.4879) [0.04882, 0.3848, 0.02402]\n", + " PeriodicSite: Li (3.768, 7.193, 9.964) [0.1855, 0.3541, 0.4905]\n", + " PeriodicSite: Li (3.211, 15.56, 1.537) [0.1581, 0.7661, 0.07566]\n", + " PeriodicSite: Li (4.262, 16.87, 12.16) [0.2098, 0.8304, 0.5985]\n", + " PeriodicSite: Li (12.4, 9.028, 0.7897) [0.6103, 0.4444, 0.03888]\n", + " PeriodicSite: Li (11.54, 6.753, 14.48) [0.5679, 0.3324, 0.7129]\n", + " PeriodicSite: Li (11.54, 15.38, 3.114) [0.5681, 0.7572, 0.1533]\n", + " PeriodicSite: Li (13.66, 14.83, 12.33) [0.6724, 0.7302, 0.6071]\n", + " PeriodicSite: Li (0.5454, 5.864, 3.105) [0.02685, 0.2887, 0.1529]\n", + " PeriodicSite: Li (18.21, 7.871, 10.34) [0.8963, 0.3875, 0.5088]\n", + " PeriodicSite: Li (0.8571, 17.42, 4.122) [0.04219, 0.8577, 0.2029]\n", + " PeriodicSite: Li (0.4135, 19.8, 12.31) [0.02035, 0.9746, 0.6062]\n", + " PeriodicSite: Li (10.38, 6.887, 2.727) [0.5111, 0.339, 0.1343]\n", + " PeriodicSite: Li (13.44, 9.685, 13.11) [0.6618, 0.4768, 0.6456]\n", + " PeriodicSite: Li (13.6, 16.92, 0.1146) [0.6694, 0.8328, 0.005647]\n", + " PeriodicSite: Li (7.874, 16.38, 15.82) [0.3876, 0.8063, 0.7789]\n", + " PeriodicSite: Li (4.34, 8.051, 4.675) [0.2137, 0.3963, 0.2302]\n", + " PeriodicSite: Li (0.9346, 8.68, 11.76) [0.04601, 0.4273, 0.579]\n", + " PeriodicSite: Li (1.13, 17.92, 0.5711) [0.05562, 0.8822, 0.02812]\n", + " PeriodicSite: Li (3.399, 20.18, 13.7) [0.1673, 0.9933, 0.6745]\n", + " PeriodicSite: Li (14.72, 9.237, 3.238) [0.7249, 0.4547, 0.1594]\n", + " PeriodicSite: Li (13.21, 6.781, 9.962) [0.6501, 0.3338, 0.4905]\n", + " PeriodicSite: Li (12.57, 19.81, 1.973) [0.6189, 0.9753, 0.09712]\n", + " PeriodicSite: Li (13.57, 16.82, 9.898) [0.6682, 0.8283, 0.4873]\n", + " PeriodicSite: Li (5.183, 4.457, 1.997) [0.2551, 0.2194, 0.09831]\n", + " PeriodicSite: Li (5.032, 8.018, 14.22) [0.2477, 0.3947, 0.7]\n", + " PeriodicSite: Li (3.465, 18.42, 4.839) [0.1706, 0.9068, 0.2382]\n", + " PeriodicSite: Li (1.525, 16.09, 13.38) [0.0751, 0.7924, 0.6586]\n", + " PeriodicSite: Li (13.18, 10.11, 6.411) [0.6491, 0.4978, 0.3156]\n", + " PeriodicSite: Li (14.94, 6.752, 12.04) [0.7355, 0.3324, 0.5929]\n", + " PeriodicSite: Li (14.95, 17.02, 2.163) [0.7362, 0.8378, 0.1065]\n", + " PeriodicSite: Li (16.12, 2.308, 15.04) [0.7935, 0.1136, 0.7405]\n", + " PeriodicSite: Li (9.843, 3.42, 3.161) [0.4846, 0.1684, 0.1556]\n", + " PeriodicSite: Li (8.23, 3.92, 14.29) [0.4052, 0.193, 0.7033]\n", + " PeriodicSite: Li (6.616, 10.33, 2.797) [0.3257, 0.5087, 0.1377]\n", + " PeriodicSite: Li (3.245, 10.47, 13.78) [0.1597, 0.5155, 0.6784]\n", + " PeriodicSite: Li (17.1, 1.679, 4.948) [0.842, 0.08264, 0.2436]\n", + " PeriodicSite: Li (13.06, 4.331, 8.597) [0.6427, 0.2132, 0.4232]\n", + " PeriodicSite: Li (18.59, 9.093, 1.05) [0.9154, 0.4476, 0.05168]\n", + " PeriodicSite: Li (17.23, 9.923, 13.48) [0.8484, 0.4885, 0.6637]\n", + " PeriodicSite: Li (7.106, 19.14, 5.742) [0.3499, 0.9421, 0.2827]\n", + " PeriodicSite: Li (5.869, 2.377, 14.25) [0.289, 0.117, 0.7017]\n", + " PeriodicSite: Li (7.254, 12.87, 0.2179) [0.3571, 0.6336, 0.01073]\n", + " PeriodicSite: Li (9.878, 12.89, 12.66) [0.4863, 0.6348, 0.6235]\n", + " PeriodicSite: Li (15.76, 0.9183, 2.834) [0.7761, 0.0452, 0.1395]\n", + " PeriodicSite: Li (19.34, 2.551, 10.77) [0.9521, 0.1256, 0.5302]\n", + " PeriodicSite: Li (17.56, 11.07, 4.102) [0.8646, 0.5449, 0.202]\n", + " PeriodicSite: Li (16.94, 14.82, 12.17) [0.8341, 0.7296, 0.5992]\n", + " PeriodicSite: Li (8.505, 5.277, 6.458) [0.4187, 0.2598, 0.318]\n", + " PeriodicSite: Li (10.01, 1.786, 12.81) [0.4928, 0.08792, 0.6305]\n", + " PeriodicSite: Li (9.323, 13.07, 4.868) [0.459, 0.6435, 0.2397]\n", + " PeriodicSite: Li (7.128, 14.62, 10.83) [0.3509, 0.7199, 0.5331]\n", + " PeriodicSite: Li (19.92, 1.877, 2.019) [0.9807, 0.0924, 0.09943]\n", + " PeriodicSite: Li (19.73, 4.363, 12.83) [0.9714, 0.2148, 0.6315]\n", + " PeriodicSite: Li (16.88, 15.32, 2.169) [0.8309, 0.7541, 0.1068]\n", + " PeriodicSite: Li (15.19, 11.84, 12.9) [0.7481, 0.5829, 0.635]\n", + " PeriodicSite: Li (2.394, 20.04, 2.557) [0.1178, 0.9866, 0.1259]\n", + " PeriodicSite: Li (6.908, 0.1285, 13.43) [0.3401, 0.006324, 0.6612]\n", + " PeriodicSite: Li (5.349, 12.95, 2.204) [0.2633, 0.6375, 0.1085]\n", + " PeriodicSite: Li (8.313, 7.332, 15.33) [0.4093, 0.361, 0.7546]\n", + " PeriodicSite: Li (18.23, 4.82, 3.497) [0.8976, 0.2373, 0.1722]\n", + " PeriodicSite: Li (17.4, 0.4977, 12.93) [0.8567, 0.0245, 0.6367]\n", + " PeriodicSite: Li (17.22, 12.88, 0.7109) [0.8479, 0.634, 0.035]\n", + " PeriodicSite: Li (19.52, 12.18, 12.01) [0.9609, 0.5997, 0.5914]\n", + " PeriodicSite: Li (7.054, 3.08, 20.22) [0.3473, 0.1516, 0.9955]\n", + " PeriodicSite: Li (5.23, 2.799, 10.83) [0.2575, 0.1378, 0.5334]\n", + " PeriodicSite: Li (9.888, 11.42, 2.31) [0.4868, 0.5623, 0.1137]\n", + " PeriodicSite: Li (8.129, 10.45, 11.3) [0.4002, 0.5147, 0.5561]\n", + " PeriodicSite: Li (15.4, 3.752, 2.38) [0.7583, 0.1847, 0.1172]\n", + " PeriodicSite: Li (15.97, 2.987, 11.6) [0.7863, 0.1471, 0.5711]\n", + " PeriodicSite: Li (0.9046, 12.19, 19.71) [0.04453, 0.6, 0.9705]\n", + " PeriodicSite: Li (19.38, 14.0, 14.22) [0.9539, 0.6891, 0.6998]\n", + " PeriodicSite: Li (8.493, 0.1425, 1.879) [0.4181, 0.007013, 0.09251]\n", + " PeriodicSite: Li (8.126, 2.214, 10.25) [0.4001, 0.109, 0.5045]\n", + " PeriodicSite: Li (6.6, 12.06, 4.86) [0.3249, 0.594, 0.2393]\n", + " PeriodicSite: Li (4.693, 13.46, 12.47) [0.231, 0.6628, 0.6139]\n", + " PeriodicSite: Li (16.63, 2.848, 0.2934) [0.8188, 0.1402, 0.01445]\n", + " PeriodicSite: Li (1.33, 6.824, 14.48) [0.06547, 0.3359, 0.7129]\n", + " PeriodicSite: Li (2.941, 15.17, 7.979) [0.1448, 0.7468, 0.3928]\n", + " PeriodicSite: Li (16.89, 12.69, 10.52) [0.8315, 0.625, 0.5181]\n", + " PeriodicSite: Li (12.28, 6.997, 5.086) [0.6045, 0.3445, 0.2504]\n", + " PeriodicSite: Li (5.416, 7.84, 17.72) [0.2666, 0.386, 0.8723]\n", + " PeriodicSite: Li (5.765, 17.0, 9.223) [0.2838, 0.8367, 0.4541]\n", + " PeriodicSite: Li (7.073, 15.61, 19.13) [0.3482, 0.7683, 0.9416]\n", + " PeriodicSite: Li (16.12, 9.173, 7.119) [0.7938, 0.4516, 0.3505]\n", + " PeriodicSite: Li (2.845, 5.047, 18.09) [0.14, 0.2485, 0.8905]\n", + " PeriodicSite: Li (17.41, 18.85, 5.524) [0.8573, 0.9281, 0.272]\n", + " PeriodicSite: Li (19.84, 18.66, 18.69) [0.9767, 0.9186, 0.9203]\n", + " PeriodicSite: Li (7.246, 8.177, 4.896) [0.3567, 0.4026, 0.241]\n", + " PeriodicSite: Li (9.234, 5.785, 17.55) [0.4546, 0.2848, 0.8641]\n", + " PeriodicSite: Li (8.354, 0.05703, 8.132) [0.4113, 0.002804, 0.4003]\n", + " PeriodicSite: Li (7.039, 19.99, 16.89) [0.3465, 0.9842, 0.8313]\n", + " PeriodicSite: Li (18.84, 9.997, 8.207) [0.9276, 0.4922, 0.4041]\n", + " PeriodicSite: Li (18.52, 7.205, 15.19) [0.912, 0.3547, 0.7479]\n", + " PeriodicSite: Li (18.41, 20.08, 8.388) [0.9062, 0.9888, 0.4129]\n", + " PeriodicSite: Li (18.77, 15.29, 16.82) [0.9239, 0.7528, 0.8282]\n", + " PeriodicSite: Li (6.928, 5.285, 9.116) [0.3411, 0.2602, 0.4488]\n", + " PeriodicSite: Li (7.055, 6.14, 19.63) [0.3473, 0.3023, 0.9665]\n", + " PeriodicSite: Li (8.64, 18.26, 10.19) [0.4254, 0.8989, 0.5017]\n", + " PeriodicSite: Li (11.92, 13.84, 15.73) [0.5868, 0.6812, 0.7742]\n", + " PeriodicSite: Li (0.01712, 7.632, 7.482) [0.0008413, 0.3757, 0.3684]\n", + " PeriodicSite: Li (18.14, 5.293, 17.11) [0.8931, 0.2606, 0.8426]\n", + " PeriodicSite: Li (17.31, 17.2, 10.14) [0.8523, 0.8468, 0.4992]\n", + " PeriodicSite: Li (16.79, 17.0, 20.04) [0.8265, 0.8367, 0.9864]\n", + " PeriodicSite: Li (10.01, 8.398, 8.093) [0.4926, 0.4134, 0.3984]\n", + " PeriodicSite: Li (7.551, 9.017, 19.89) [0.3717, 0.4439, 0.9792]\n", + " PeriodicSite: Li (5.594, 19.6, 7.582) [0.2754, 0.9648, 0.3733]\n", + " PeriodicSite: Li (7.228, 15.01, 2.075) [0.3559, 0.7389, 0.1022]\n", + " PeriodicSite: Li (15.87, 6.228, 8.344) [0.7813, 0.3066, 0.4108]\n", + " PeriodicSite: Li (19.81, 8.599, 17.87) [0.9752, 0.4233, 0.8798]\n", + " PeriodicSite: Li (15.4, 18.18, 6.683) [0.7582, 0.8949, 0.329]\n", + " PeriodicSite: Li (15.79, 17.89, 16.5) [0.7771, 0.8805, 0.8121]\n", + " PeriodicSite: Li (6.595, 4.894, 11.92) [0.3247, 0.2409, 0.587]\n", + " PeriodicSite: Li (7.315, 10.0, 17.18) [0.3601, 0.4926, 0.8458]\n", + " PeriodicSite: Li (9.633, 17.78, 7.106) [0.4742, 0.8753, 0.3498]\n", + " PeriodicSite: Li (11.04, 17.81, 0.9273) [0.5436, 0.877, 0.04566]\n", + " PeriodicSite: Li (17.25, 8.425, 4.996) [0.8494, 0.4147, 0.2459]\n", + " PeriodicSite: Li (14.75, 3.728, 18.41) [0.7263, 0.1835, 0.9062]\n", + " PeriodicSite: Li (19.66, 17.04, 7.713) [0.9678, 0.839, 0.3797]\n", + " PeriodicSite: Li (18.33, 20.03, 1.826) [0.9026, 0.9861, 0.08992]\n", + " PeriodicSite: Li (3.168, 9.897, 3.24) [0.156, 0.4872, 0.1595]\n", + " PeriodicSite: Li (10.14, 8.448, 18.25) [0.4992, 0.4159, 0.8986]\n", + " PeriodicSite: Li (8.056, 15.47, 7.091) [0.3966, 0.7618, 0.3491]\n", + " PeriodicSite: Li (8.954, 18.23, 19.4) [0.4408, 0.8977, 0.9552]\n", + " PeriodicSite: Li (18.33, 5.347, 6.679) [0.9026, 0.2632, 0.3288]\n", + " PeriodicSite: Li (16.41, 12.33, 15.1) [0.8078, 0.6069, 0.7432]\n", + " PeriodicSite: Li (18.19, 14.52, 5.11) [0.8954, 0.7149, 0.2516]\n", + " PeriodicSite: Li (13.66, 0.2363, 13.96) [0.6723, 0.01163, 0.6871]\n", + " PeriodicSite: Cl (7.78, 12.59, 12.31) [0.383, 0.6198, 0.6062]\n", + " PeriodicSite: Cl (2.828, 12.57, 17.75) [0.1392, 0.6188, 0.8739]\n", + " PeriodicSite: Cl (12.82, 17.36, 12.3) [0.6313, 0.8546, 0.6057]\n", + " PeriodicSite: Cl (17.64, 7.518, 17.3) [0.8685, 0.3701, 0.8516]\n", + " PeriodicSite: Cl (7.769, 2.476, 2.024) [0.3825, 0.1219, 0.09967]\n", + " PeriodicSite: Cl (7.937, 7.711, 7.098) [0.3907, 0.3796, 0.3494]\n", + " PeriodicSite: Cl (12.5, 12.18, 7.526) [0.6152, 0.5998, 0.3705]\n", + " PeriodicSite: Cl (2.45, 7.674, 2.311) [0.1206, 0.3778, 0.1137]\n", + " PeriodicSite: Cl (2.586, 7.349, 12.77) [0.1273, 0.3618, 0.6288]\n", + " PeriodicSite: Cl (12.58, 12.63, 17.71) [0.6194, 0.6217, 0.8719]\n", + " PeriodicSite: Cl (17.6, 18.29, 18.08) [0.8667, 0.9004, 0.8899]\n", + " PeriodicSite: Cl (2.506, 2.904, 7.433) [0.1234, 0.143, 0.3659]\n", + " PeriodicSite: Cl (12.55, 2.336, 18.04) [0.618, 0.115, 0.8882]\n", + " PeriodicSite: Cl (12.73, 7.641, 2.985) [0.6265, 0.3762, 0.147]\n", + " PeriodicSite: Cl (18.1, 2.742, 12.6) [0.8911, 0.135, 0.6205]\n", + " PeriodicSite: Cl (7.405, 17.62, 17.98) [0.3645, 0.8676, 0.8849]\n", + " PeriodicSite: Cl (0.3917, 20.25, 0.5367) [0.01928, 0.997, 0.02642]\n", + " PeriodicSite: Cl (20.19, 0.5266, 9.851) [0.9938, 0.02592, 0.485]\n", + " PeriodicSite: Cl (0.1141, 10.01, 20.06) [0.005616, 0.4928, 0.9874]\n", + " PeriodicSite: Cl (20.19, 9.875, 10.23) [0.9941, 0.4862, 0.5037]\n", + " PeriodicSite: Cl (10.32, 20.24, 0.3261) [0.5083, 0.9962, 0.01606]\n", + " PeriodicSite: Cl (9.857, 0.3979, 9.793) [0.4853, 0.01958, 0.4821]\n", + " PeriodicSite: Cl (10.01, 10.07, 20.07) [0.4928, 0.4957, 0.9881]\n", + " PeriodicSite: Cl (9.801, 9.819, 9.833) [0.4825, 0.4834, 0.4841]\n", + " PeriodicSite: Cl (19.94, 5.058, 4.922) [0.9815, 0.249, 0.2423]\n", + " PeriodicSite: Cl (19.95, 5.273, 15.13) [0.9819, 0.2596, 0.745]\n", + " PeriodicSite: Cl (0.1073, 15.42, 5.284) [0.005275, 0.7589, 0.2602]\n", + " PeriodicSite: Cl (0.117, 15.43, 15.37) [0.005755, 0.7598, 0.7567]\n", + " PeriodicSite: Cl (10.37, 5.404, 4.702) [0.5104, 0.266, 0.2315]\n", + " PeriodicSite: Cl (9.938, 5.383, 15.34) [0.4893, 0.265, 0.7551]\n", + " PeriodicSite: Cl (9.707, 15.28, 5.46) [0.4779, 0.7521, 0.2688]\n", + " PeriodicSite: Cl (10.03, 15.59, 15.03) [0.494, 0.7675, 0.7398]\n", + " PeriodicSite: S (5.054, 20.27, 5.38) [0.2488, 0.998, 0.2649]\n", + " PeriodicSite: S (5.228, 0.268, 15.49) [0.2574, 0.01319, 0.7626]\n", + " PeriodicSite: S (5.124, 10.35, 4.986) [0.2523, 0.5097, 0.2455]\n", + " PeriodicSite: S (4.782, 10.18, 15.27) [0.2354, 0.501, 0.7517]\n", + " PeriodicSite: S (15.24, 20.24, 5.269) [0.7503, 0.9967, 0.2594]\n", + " PeriodicSite: S (15.68, 20.19, 15.14) [0.7717, 0.994, 0.7456]\n", + " PeriodicSite: S (15.42, 10.28, 4.992) [0.759, 0.506, 0.2458]\n", + " PeriodicSite: S (15.19, 10.13, 14.87) [0.7479, 0.4986, 0.7319]\n", + " PeriodicSite: S (4.96, 5.141, 19.76) [0.2442, 0.2531, 0.9729]\n", + " PeriodicSite: S (4.845, 5.281, 10.22) [0.2385, 0.26, 0.5031]\n", + " PeriodicSite: S (5.313, 15.13, 0.3617) [0.2616, 0.7449, 0.01781]\n", + " PeriodicSite: S (4.739, 15.04, 10.16) [0.2333, 0.7407, 0.4999]\n", + " PeriodicSite: S (14.97, 4.771, 0.2017) [0.7368, 0.2349, 0.009935]\n", + " PeriodicSite: S (14.81, 5.014, 10.3) [0.729, 0.2469, 0.5072]\n", + " PeriodicSite: S (15.36, 15.32, 0.1762) [0.7563, 0.7543, 0.008681]\n", + " PeriodicSite: S (15.28, 15.06, 10.41) [0.752, 0.7413, 0.5123]\n", + " PeriodicSite: S (8.833, 4.036, 8.478) [0.4349, 0.1987, 0.4174]\n", + " PeriodicSite: S (9.193, 4.007, 19.06) [0.4526, 0.1973, 0.9384]\n", + " PeriodicSite: S (9.077, 13.94, 8.76) [0.4469, 0.6864, 0.4313]\n", + " PeriodicSite: S (9.08, 14.08, 18.87) [0.447, 0.6934, 0.9289]\n", + " PeriodicSite: S (19.03, 4.262, 9.123) [0.9367, 0.2098, 0.4491]\n", + " PeriodicSite: S (18.65, 4.066, 19.35) [0.9183, 0.2002, 0.9528]\n", + " PeriodicSite: S (18.72, 14.25, 9.24) [0.9214, 0.7016, 0.4549]\n", + " PeriodicSite: S (18.82, 13.96, 19.29) [0.9266, 0.6874, 0.9499]\n", + " PeriodicSite: S (3.795, 1.379, 1.272) [0.1868, 0.06787, 0.06264]\n", + " PeriodicSite: S (3.904, 0.8122, 11.55) [0.1922, 0.03998, 0.5688]\n", + " PeriodicSite: S (3.788, 11.41, 1.03) [0.1865, 0.5617, 0.05071]\n", + " PeriodicSite: S (3.573, 11.36, 11.37) [0.1759, 0.5592, 0.5596]\n", + " PeriodicSite: S (13.99, 1.391, 1.487) [0.6886, 0.06847, 0.07323]\n", + " PeriodicSite: S (13.88, 1.123, 11.7) [0.6832, 0.05528, 0.576]\n", + " PeriodicSite: S (14.34, 11.05, 1.596) [0.7058, 0.5441, 0.07858]\n", + " PeriodicSite: S (13.8, 11.08, 10.87) [0.6793, 0.5454, 0.5354]\n", + " PeriodicSite: S (6.046, 1.112, 9.333) [0.2977, 0.05475, 0.4595]\n", + " PeriodicSite: S (6.243, 1.043, 18.91) [0.3074, 0.05136, 0.9308]\n", + " PeriodicSite: S (6.44, 11.5, 9.283) [0.3171, 0.5661, 0.457]\n", + " PeriodicSite: S (6.254, 11.0, 19.34) [0.3079, 0.5418, 0.9523]\n", + " PeriodicSite: S (16.38, 1.404, 9.344) [0.8063, 0.06913, 0.46]\n", + " PeriodicSite: S (15.91, 1.306, 19.01) [0.7833, 0.06431, 0.9357]\n", + " PeriodicSite: S (16.49, 11.0, 8.807) [0.812, 0.5416, 0.4336]\n", + " PeriodicSite: S (16.66, 11.11, 19.51) [0.8201, 0.547, 0.9604]\n", + " PeriodicSite: S (0.8897, 3.976, 1.264) [0.0438, 0.1957, 0.06223]\n", + " PeriodicSite: S (1.276, 3.816, 11.08) [0.06281, 0.1879, 0.5457]\n", + " PeriodicSite: S (1.082, 14.18, 0.7896) [0.05324, 0.698, 0.03888]\n", + " PeriodicSite: S (0.8365, 14.04, 11.7) [0.04118, 0.6914, 0.5758]\n", + " PeriodicSite: S (11.38, 4.488, 1.357) [0.5604, 0.2209, 0.06679]\n", + " PeriodicSite: S (11.3, 3.748, 10.76) [0.5565, 0.1845, 0.5297]\n", + " PeriodicSite: S (11.15, 13.73, 1.258) [0.5489, 0.6762, 0.06192]\n", + " PeriodicSite: S (11.39, 13.5, 10.82) [0.5605, 0.6648, 0.5326]\n", + " PeriodicSite: S (2.519, 2.875, 17.65) [0.124, 0.1416, 0.8688]\n", + " PeriodicSite: S (2.118, 12.79, 7.757) [0.1043, 0.6296, 0.3819]\n", + " PeriodicSite: S (12.68, 2.429, 7.438) [0.6243, 0.1196, 0.3662]\n", + " PeriodicSite: S (8.999, 9.194, 3.555) [0.4431, 0.4526, 0.175]\n", + " PeriodicSite: S (9.032, 9.175, 13.96) [0.4447, 0.4517, 0.6875]\n", + " PeriodicSite: S (8.957, 19.17, 3.823) [0.4409, 0.9439, 0.1882]\n", + " PeriodicSite: S (9.358, 19.75, 13.88) [0.4607, 0.9725, 0.6835]\n", + " PeriodicSite: S (19.27, 9.047, 3.81) [0.9489, 0.4454, 0.1876]\n", + " PeriodicSite: S (19.31, 8.713, 13.69) [0.9504, 0.429, 0.6738]\n", + " PeriodicSite: S (19.13, 18.91, 3.69) [0.9419, 0.9312, 0.1817]\n", + " PeriodicSite: S (19.18, 19.55, 14.5) [0.9442, 0.9626, 0.7139]\n", + " PeriodicSite: S (3.801, 6.407, 6.3) [0.1871, 0.3154, 0.3101]\n", + " PeriodicSite: S (3.975, 6.4, 16.11) [0.1957, 0.3151, 0.7934]\n", + " PeriodicSite: S (3.488, 16.42, 5.895) [0.1717, 0.8083, 0.2902]\n", + " PeriodicSite: S (3.537, 16.54, 16.57) [0.1741, 0.8145, 0.8156]\n", + " PeriodicSite: S (14.04, 5.969, 6.454) [0.6911, 0.2939, 0.3178]\n", + " PeriodicSite: S (13.2, 5.647, 16.3) [0.65, 0.278, 0.8024]\n", + " PeriodicSite: S (13.63, 16.39, 6.297) [0.671, 0.8069, 0.31]\n", + " PeriodicSite: S (14.13, 16.21, 16.9) [0.6956, 0.7979, 0.832]\n", + " PeriodicSite: S (5.827, 6.6, 3.753) [0.2869, 0.3249, 0.1848]\n", + " PeriodicSite: S (6.478, 6.15, 14.04) [0.3189, 0.3028, 0.691]\n", + " PeriodicSite: S (6.176, 16.47, 3.991) [0.304, 0.8108, 0.1965]\n", + " PeriodicSite: S (5.859, 16.68, 14.26) [0.2884, 0.8214, 0.7023]\n", + " PeriodicSite: S (16.17, 6.099, 3.849) [0.7961, 0.3003, 0.1895]\n", + " PeriodicSite: S (16.03, 6.442, 14.24) [0.7894, 0.3172, 0.7013]\n", + " PeriodicSite: S (16.36, 16.61, 4.256) [0.8055, 0.8178, 0.2095]\n", + " PeriodicSite: S (16.5, 16.4, 14.46) [0.8125, 0.8074, 0.7121]\n", + " PeriodicSite: S (1.454, 9.348, 6.217) [0.07158, 0.4602, 0.3061]\n", + " PeriodicSite: S (1.166, 8.572, 16.14) [0.0574, 0.422, 0.7945]\n", + " PeriodicSite: S (1.205, 18.98, 6.059) [0.05931, 0.9343, 0.2983]\n", + " PeriodicSite: S (1.186, 19.69, 16.8) [0.05838, 0.9691, 0.8271]\n", + " PeriodicSite: S (11.23, 9.016, 6.197) [0.5528, 0.4439, 0.3051]\n", + " PeriodicSite: S (11.36, 8.706, 15.99) [0.5591, 0.4286, 0.7871]\n", + " PeriodicSite: S (11.3, 19.32, 6.299) [0.5564, 0.9513, 0.3101]\n", + " PeriodicSite: S (12.17, 18.98, 15.64) [0.5992, 0.9346, 0.7698]\n", + " PeriodicSite: S (2.585, 17.76, 2.693) [0.1272, 0.8744, 0.1326]\n", + " PeriodicSite: S (2.484, 18.17, 12.86) [0.1223, 0.8945, 0.6329]\n", + " PeriodicSite: S (12.65, 7.447, 12.39) [0.6226, 0.3666, 0.6102]\n", + " PeriodicSite: S (12.6, 17.45, 2.42) [0.6205, 0.859, 0.1192]\n", + " PeriodicSite: S (3.804, 3.87, 4.141) [0.1873, 0.1905, 0.2039]\n", + " PeriodicSite: S (4.2, 3.828, 14.05) [0.2068, 0.1885, 0.6915]\n", + " PeriodicSite: S (3.79, 13.89, 3.557) [0.1866, 0.6838, 0.1751]\n", + " PeriodicSite: S (3.506, 14.32, 14.15) [0.1726, 0.705, 0.6966]\n", + " PeriodicSite: S (13.75, 4.03, 3.893) [0.6768, 0.1984, 0.1916]\n", + " PeriodicSite: S (14.39, 3.548, 13.8) [0.7084, 0.1747, 0.6795]\n", + " PeriodicSite: S (13.65, 14.11, 4.002) [0.6718, 0.6949, 0.197]\n", + " PeriodicSite: S (14.12, 13.85, 14.52) [0.6952, 0.6816, 0.7146]\n", + " PeriodicSite: S (8.782, 1.079, 6.143) [0.4323, 0.05312, 0.3024]\n", + " PeriodicSite: S (9.451, 0.2854, 17.09) [0.4653, 0.01405, 0.8415]\n", + " PeriodicSite: S (8.72, 11.12, 6.102) [0.4293, 0.5476, 0.3004]\n", + " PeriodicSite: S (9.342, 11.25, 16.65) [0.4599, 0.5537, 0.8196]\n", + " PeriodicSite: S (19.05, 0.9983, 6.275) [0.9381, 0.04914, 0.3089]\n", + " PeriodicSite: S (19.42, 1.835, 16.82) [0.9559, 0.09034, 0.8279]\n", + " PeriodicSite: S (19.1, 11.55, 6.261) [0.9404, 0.5686, 0.3082]\n", + " PeriodicSite: S (19.05, 10.77, 16.55) [0.9376, 0.53, 0.8148]\n", + " PeriodicSite: S (1.011, 1.368, 3.994) [0.04977, 0.06736, 0.1966]\n", + " PeriodicSite: S (1.211, 1.689, 14.13) [0.05961, 0.08314, 0.6955]\n", + " PeriodicSite: S (1.119, 11.59, 3.783) [0.05507, 0.5708, 0.1863]\n", + " PeriodicSite: S (0.9686, 11.47, 14.19) [0.04768, 0.5647, 0.6987]\n", + " PeriodicSite: S (11.28, 1.486, 3.841) [0.5551, 0.07317, 0.1891]\n", + " PeriodicSite: S (11.54, 1.722, 14.69) [0.5682, 0.08479, 0.7232]\n", + " PeriodicSite: S (11.22, 11.5, 4.045) [0.5526, 0.566, 0.1992]\n", + " PeriodicSite: S (11.64, 11.49, 14.21) [0.5731, 0.5658, 0.6994]\n", + " PeriodicSite: S (6.441, 4.27, 6.279) [0.3171, 0.2102, 0.3091]\n", + " PeriodicSite: S (6.561, 4.059, 16.34) [0.323, 0.1998, 0.8042]\n", + " PeriodicSite: S (5.8, 14.01, 6.067) [0.2856, 0.6896, 0.2987]\n", + " PeriodicSite: S (6.212, 14.21, 16.65) [0.3058, 0.6996, 0.8198]\n", + " PeriodicSite: S (16.42, 3.643, 6.282) [0.8086, 0.1793, 0.3093]\n", + " PeriodicSite: S (16.23, 4.027, 16.48) [0.7992, 0.1982, 0.8113]\n", + " PeriodicSite: S (16.0, 14.02, 6.308) [0.7876, 0.6903, 0.3105]\n", + " PeriodicSite: S (16.42, 14.08, 16.8) [0.8083, 0.6934, 0.827]\n", + " PeriodicSite: S (7.536, 2.685, 12.57) [0.371, 0.1322, 0.6187]\n", + " PeriodicSite: S (7.537, 12.49, 2.442) [0.3711, 0.6147, 0.1202]\n", + " PeriodicSite: S (17.74, 2.444, 2.682) [0.8732, 0.1203, 0.132]\n", + " PeriodicSite: S (17.7, 13.36, 3.153) [0.8712, 0.6578, 0.1552]\n", + " PeriodicSite: S (17.55, 12.62, 13.17) [0.864, 0.6213, 0.6482]\n", + " PeriodicSite: S (3.968, 9.341, 8.893) [0.1953, 0.4599, 0.4378]\n", + " PeriodicSite: S (3.526, 8.83, 18.96) [0.1736, 0.4347, 0.9336]\n", + " PeriodicSite: S (4.278, 18.69, 9.234) [0.2106, 0.9204, 0.4546]\n", + " PeriodicSite: S (3.873, 19.24, 19.28) [0.1907, 0.9471, 0.9494]\n", + " PeriodicSite: S (14.3, 8.501, 8.776) [0.704, 0.4185, 0.4321]\n", + " PeriodicSite: S (13.97, 8.998, 19.14) [0.6877, 0.443, 0.9423]\n", + " PeriodicSite: S (13.84, 19.38, 9.19) [0.6815, 0.9542, 0.4524]\n", + " PeriodicSite: S (13.42, 19.31, 19.55) [0.6607, 0.9505, 0.9625]\n", + " PeriodicSite: S (8.877, 6.655, 0.8056) [0.437, 0.3276, 0.03967]\n", + " PeriodicSite: S (8.838, 6.279, 10.87) [0.4351, 0.3091, 0.535]\n", + " PeriodicSite: S (8.999, 16.22, 1.163) [0.443, 0.7986, 0.05724]\n", + " PeriodicSite: S (9.294, 16.22, 11.21) [0.4576, 0.7984, 0.5521]\n", + " PeriodicSite: S (19.05, 6.6, 1.062) [0.9377, 0.3249, 0.05228]\n", + " PeriodicSite: S (19.76, 6.518, 11.66) [0.9728, 0.3209, 0.5739]\n", + " PeriodicSite: S (19.02, 16.68, 0.988) [0.9364, 0.8214, 0.04865]\n", + " PeriodicSite: S (19.08, 16.52, 11.83) [0.9394, 0.8135, 0.5826]\n", + " PeriodicSite: S (1.439, 6.244, 8.716) [0.07085, 0.3074, 0.4291]\n", + " PeriodicSite: S (0.9278, 6.208, 18.93) [0.04568, 0.3056, 0.932]\n", + " PeriodicSite: S (0.9729, 16.54, 9.304) [0.04789, 0.8143, 0.4581]\n", + " PeriodicSite: S (0.7122, 16.47, 18.61) [0.03506, 0.8107, 0.9161]\n", + " PeriodicSite: S (11.3, 6.198, 8.697) [0.5564, 0.3051, 0.4282]\n", + " PeriodicSite: S (11.48, 6.339, 18.85) [0.5651, 0.3121, 0.9278]\n", + " PeriodicSite: S (11.46, 16.27, 8.567) [0.5642, 0.801, 0.4218]\n", + " PeriodicSite: S (11.4, 16.26, 19.34) [0.5614, 0.8007, 0.9522]\n", + " PeriodicSite: S (5.641, 8.653, 1.221) [0.2777, 0.426, 0.0601]\n", + " PeriodicSite: S (5.933, 9.043, 11.62) [0.2921, 0.4452, 0.572]\n", + " PeriodicSite: S (6.093, 19.41, 1.523) [0.3, 0.9554, 0.075]\n", + " PeriodicSite: S (6.468, 18.83, 11.62) [0.3184, 0.927, 0.5721]\n", + " PeriodicSite: S (16.33, 8.466, 1.281) [0.8038, 0.4168, 0.06307]\n", + " PeriodicSite: S (16.27, 8.872, 11.36) [0.8008, 0.4368, 0.5591]\n", + " PeriodicSite: S (16.32, 19.29, 1.221) [0.8035, 0.9497, 0.06013]\n", + " PeriodicSite: S (16.38, 19.31, 11.42) [0.8065, 0.9506, 0.562]\n", + " PeriodicSite: S (7.725, 7.987, 17.9) [0.3803, 0.3932, 0.881]\n", + " PeriodicSite: S (7.389, 18.06, 7.786) [0.3638, 0.8893, 0.3833]\n", + " PeriodicSite: S (17.94, 7.746, 7.589) [0.8832, 0.3813, 0.3736]\n", + " PeriodicSite: S (17.6, 17.93, 7.826) [0.8663, 0.8826, 0.3853]\n", + " PeriodicSite: P (5.023, 0.1278, 0.1376) [0.2473, 0.00629, 0.006777]\n", + " PeriodicSite: P (5.21, 19.91, 10.51) [0.2565, 0.9801, 0.5174]\n", + " PeriodicSite: P (4.644, 9.954, 20.31) [0.2286, 0.49, 1.0]\n", + " PeriodicSite: P (5.033, 10.39, 10.42) [0.2478, 0.5113, 0.5132]\n", + " PeriodicSite: P (14.96, 0.09873, 0.09526) [0.7363, 0.004854, 0.004694]\n", + " PeriodicSite: P (15.01, 0.1639, 10.45) [0.7388, 0.008062, 0.5146]\n", + " PeriodicSite: P (15.3, 10.03, 0.2426) [0.7533, 0.4936, 0.01195]\n", + " PeriodicSite: P (15.21, 9.831, 9.938) [0.7487, 0.484, 0.4893]\n", + " PeriodicSite: P (4.937, 5.26, 5.072) [0.243, 0.2589, 0.2497]\n", + " PeriodicSite: P (5.299, 5.103, 15.32) [0.2609, 0.2512, 0.7544]\n", + " PeriodicSite: P (4.735, 15.28, 4.815) [0.2331, 0.7525, 0.2371]\n", + " PeriodicSite: P (4.874, 15.41, 15.44) [0.2399, 0.7586, 0.7602]\n", + " PeriodicSite: P (15.21, 4.855, 5.225) [0.749, 0.239, 0.2572]\n", + " PeriodicSite: P (14.91, 4.96, 15.2) [0.7338, 0.2442, 0.7485]\n", + " PeriodicSite: P (14.99, 15.28, 5.132) [0.738, 0.7525, 0.2526]\n", + " PeriodicSite: P (15.26, 15.15, 15.59) [0.7515, 0.7458, 0.7677]\n", + " PeriodicSite: P (20.25, 20.21, 5.015) [0.9971, 0.9948, 0.2469]\n", + " PeriodicSite: P (20.31, 0.5492, 15.53) [0.9999, 0.02703, 0.7644]\n", + " PeriodicSite: P (0.06902, 10.36, 5.025) [0.003395, 0.5099, 0.2474]\n", + " PeriodicSite: P (20.31, 9.954, 15.08) [0.9997, 0.49, 0.7426]\n", + " PeriodicSite: P (10.18, 0.04897, 4.851) [0.5013, 0.002407, 0.2388]\n", + " PeriodicSite: P (10.58, 0.03082, 15.39) [0.5208, 0.001514, 0.7577]\n", + " PeriodicSite: P (10.05, 10.1, 5.02) [0.495, 0.497, 0.2471]\n", + " PeriodicSite: P (10.25, 10.21, 15.18) [0.5048, 0.5024, 0.7472]\n", + " PeriodicSite: P (20.13, 5.114, 0.01781) [0.9911, 0.2518, 0.0008827]\n", + " PeriodicSite: P (0.2391, 5.377, 10.12) [0.01177, 0.2647, 0.498]\n", + " PeriodicSite: P (20.02, 15.45, 20.08) [0.9855, 0.7608, 0.9888]\n", + " PeriodicSite: P (20.03, 15.37, 10.43) [0.986, 0.7568, 0.5134]\n", + " PeriodicSite: P (10.23, 5.435, 20.16) [0.5035, 0.2675, 0.9924]\n", + " PeriodicSite: P (10.06, 5.108, 9.892) [0.4952, 0.2515, 0.487]\n", + " PeriodicSite: P (10.14, 15.04, 0.0354) [0.4992, 0.7404, 0.001747]\n", + " PeriodicSite: P (10.28, 15.02, 9.824) [0.5062, 0.7392, 0.4836],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.992, 4.322, 5.429) [0.09808, 0.2128, 0.2673]\n", + " PeriodicSite: Li (0.5516, 3.114, 17.24) [0.02716, 0.1533, 0.8486]\n", + " PeriodicSite: Li (2.789, 13.54, 9.926) [0.1373, 0.6667, 0.4887]\n", + " PeriodicSite: Li (1.795, 14.93, 16.85) [0.08839, 0.7351, 0.8297]\n", + " PeriodicSite: Li (15.09, 0.6612, 7.374) [0.7427, 0.03254, 0.363]\n", + " PeriodicSite: Li (11.58, 3.926, 16.41) [0.5701, 0.1933, 0.8077]\n", + " PeriodicSite: Li (15.44, 12.66, 4.082) [0.7602, 0.6234, 0.2009]\n", + " PeriodicSite: Li (16.75, 9.83, 17.03) [0.8247, 0.4839, 0.8385]\n", + " PeriodicSite: Li (4.203, 4.555, 8.182) [0.2069, 0.2242, 0.4028]\n", + " PeriodicSite: Li (4.065, 0.3901, 17.48) [0.2001, 0.01921, 0.8606]\n", + " PeriodicSite: Li (6.601, 9.93, 7.179) [0.325, 0.4889, 0.3534]\n", + " PeriodicSite: Li (6.377, 10.98, 13.58) [0.314, 0.5403, 0.6686]\n", + " PeriodicSite: Li (12.24, 4.489, 6.294) [0.6024, 0.221, 0.3099]\n", + " PeriodicSite: Li (13.92, 6.406, 18.91) [0.6855, 0.3154, 0.9309]\n", + " PeriodicSite: Li (10.49, 7.862, 11.79) [0.5162, 0.3871, 0.5807]\n", + " PeriodicSite: Li (11.41, 16.56, 17.23) [0.5616, 0.8151, 0.8484]\n", + " PeriodicSite: Li (3.178, 1.334, 5.347) [0.1564, 0.06569, 0.2632]\n", + " PeriodicSite: Li (3.333, 2.246, 15.48) [0.1641, 0.1106, 0.762]\n", + " PeriodicSite: Li (3.175, 11.34, 6.033) [0.1563, 0.5583, 0.297]\n", + " PeriodicSite: Li (4.386, 12.43, 15.95) [0.2159, 0.6117, 0.7851]\n", + " PeriodicSite: Li (12.31, 0.5633, 9.291) [0.6058, 0.02773, 0.4574]\n", + " PeriodicSite: Li (11.04, 0.7729, 18.97) [0.5437, 0.03805, 0.9341]\n", + " PeriodicSite: Li (13.67, 13.43, 9.581) [0.6728, 0.661, 0.4717]\n", + " PeriodicSite: Li (11.23, 12.03, 19.73) [0.5528, 0.5922, 0.9714]\n", + " PeriodicSite: Li (0.3557, 2.202, 8.119) [0.01751, 0.1084, 0.3997]\n", + " PeriodicSite: Li (2.874, 3.137, 0.0469) [0.1415, 0.1544, 0.00231]\n", + " PeriodicSite: Li (0.1078, 13.33, 7.378) [0.005303, 0.6561, 0.3632]\n", + " PeriodicSite: Li (4.332, 13.3, 18.9) [0.2133, 0.6546, 0.9304]\n", + " PeriodicSite: Li (13.4, 1.727, 5.348) [0.6597, 0.08503, 0.2633]\n", + " PeriodicSite: Li (14.13, 20.13, 17.36) [0.6957, 0.9913, 0.8548]\n", + " PeriodicSite: Li (10.54, 12.03, 8.415) [0.5187, 0.5925, 0.4143]\n", + " PeriodicSite: Li (14.57, 14.65, 18.51) [0.7175, 0.7213, 0.9113]\n", + " PeriodicSite: Li (6.239, 2.178, 5.445) [0.3072, 0.1072, 0.2681]\n", + " PeriodicSite: Li (1.414, 0.5611, 18.42) [0.06962, 0.02763, 0.9066]\n", + " PeriodicSite: Li (4.776, 13.16, 8.466) [0.2351, 0.6478, 0.4168]\n", + " PeriodicSite: Li (0.4879, 17.81, 15.08) [0.02402, 0.8769, 0.7424]\n", + " PeriodicSite: Li (14.85, 3.302, 8.232) [0.7312, 0.1625, 0.4053]\n", + " PeriodicSite: Li (12.92, 3.666, 0.1534) [0.6361, 0.1805, 0.007557]\n", + " PeriodicSite: Li (16.76, 15.76, 8.269) [0.825, 0.7761, 0.4071]\n", + " PeriodicSite: Li (14.22, 13.59, 1.485) [0.7002, 0.6689, 0.0731]\n", + " PeriodicSite: Li (4.861, 0.6042, 3.014) [0.2393, 0.02974, 0.1484]\n", + " PeriodicSite: Li (5.182, 3.056, 18.53) [0.2551, 0.1505, 0.9121]\n", + " PeriodicSite: Li (2.005, 14.55, 5.63) [0.09869, 0.7165, 0.2772]\n", + " PeriodicSite: Li (19.84, 12.84, 2.801) [0.9769, 0.6319, 0.1379]\n", + " PeriodicSite: Li (10.49, 2.19, 7.798) [0.5165, 0.1078, 0.3839]\n", + " PeriodicSite: Li (17.12, 0.16, 17.5) [0.8431, 0.007869, 0.8617]\n", + " PeriodicSite: Li (14.98, 11.89, 7.087) [0.7375, 0.5852, 0.3489]\n", + " PeriodicSite: Li (13.64, 11.07, 16.1) [0.6717, 0.5452, 0.7924]\n", + " PeriodicSite: Li (3.142, 10.51, 17.1) [0.1547, 0.5174, 0.842]\n", + " PeriodicSite: Li (2.192, 10.69, 8.649) [0.1079, 0.5264, 0.4258]\n", + " PeriodicSite: Li (4.493, 16.82, 19.27) [0.2212, 0.8282, 0.9485]\n", + " PeriodicSite: Li (2.068, 18.71, 10.36) [0.1018, 0.9209, 0.51]\n", + " PeriodicSite: Li (13.52, 5.719, 2.318) [0.6656, 0.2816, 0.1141]\n", + " PeriodicSite: Li (14.31, 8.068, 15.69) [0.7047, 0.3972, 0.7723]\n", + " PeriodicSite: Li (12.24, 14.51, 6.821) [0.6026, 0.7141, 0.3358]\n", + " PeriodicSite: Li (14.87, 17.56, 13.32) [0.7323, 0.8645, 0.6558]\n", + " PeriodicSite: Li (4.293, 7.172, 0.6073) [0.2113, 0.3531, 0.0299]\n", + " PeriodicSite: Li (3.543, 4.947, 12.16) [0.1744, 0.2435, 0.5985]\n", + " PeriodicSite: Li (5.09, 17.45, 1.636) [0.2506, 0.8589, 0.08055]\n", + " PeriodicSite: Li (4.003, 18.61, 14.82) [0.1971, 0.916, 0.7295]\n", + " PeriodicSite: Li (16.62, 6.298, 0.04121) [0.818, 0.31, 0.002034]\n", + " PeriodicSite: Li (12.93, 4.832, 12.07) [0.6364, 0.2379, 0.5941]\n", + " PeriodicSite: Li (12.8, 19.1, 4.386) [0.6302, 0.9402, 0.2159]\n", + " PeriodicSite: Li (10.67, 17.61, 13.78) [0.5255, 0.8671, 0.6784]\n", + " PeriodicSite: Li (1.7, 8.637, 0.2353) [0.08371, 0.4252, 0.01158]\n", + " PeriodicSite: Li (3.624, 6.9, 10.42) [0.1784, 0.3397, 0.5131]\n", + " PeriodicSite: Li (3.049, 15.63, 1.54) [0.1501, 0.7696, 0.0758]\n", + " PeriodicSite: Li (4.52, 17.28, 11.96) [0.2225, 0.8506, 0.589]\n", + " PeriodicSite: Li (12.6, 9.416, 1.065) [0.6204, 0.4635, 0.05246]\n", + " PeriodicSite: Li (12.05, 6.663, 14.62) [0.5932, 0.328, 0.7197]\n", + " PeriodicSite: Li (12.0, 15.7, 3.414) [0.5906, 0.7728, 0.1681]\n", + " PeriodicSite: Li (13.32, 14.89, 12.08) [0.6559, 0.7329, 0.5946]\n", + " PeriodicSite: Li (0.7035, 6.04, 2.916) [0.03463, 0.2973, 0.1436]\n", + " PeriodicSite: Li (18.38, 6.755, 9.543) [0.9048, 0.3325, 0.4698]\n", + " PeriodicSite: Li (1.196, 17.19, 4.175) [0.05888, 0.8464, 0.2056]\n", + " PeriodicSite: Li (0.1989, 19.18, 12.17) [0.009787, 0.9444, 0.599]\n", + " PeriodicSite: Li (10.22, 6.712, 2.907) [0.503, 0.3304, 0.1431]\n", + " PeriodicSite: Li (13.95, 9.213, 13.02) [0.6866, 0.4536, 0.6411]\n", + " PeriodicSite: Li (13.78, 16.72, 0.5384) [0.6786, 0.823, 0.02651]\n", + " PeriodicSite: Li (7.826, 15.77, 16.21) [0.3853, 0.7763, 0.7979]\n", + " PeriodicSite: Li (3.684, 8.038, 4.391) [0.1814, 0.3957, 0.2162]\n", + " PeriodicSite: Li (0.6235, 8.356, 11.14) [0.03069, 0.4114, 0.5486]\n", + " PeriodicSite: Li (0.4302, 18.11, 1.369) [0.02117, 0.8915, 0.0674]\n", + " PeriodicSite: Li (3.125, 0.04505, 13.23) [0.1539, 0.002217, 0.6514]\n", + " PeriodicSite: Li (14.68, 9.269, 3.526) [0.7229, 0.4563, 0.1736]\n", + " PeriodicSite: Li (13.03, 6.997, 9.857) [0.6417, 0.3445, 0.4853]\n", + " PeriodicSite: Li (12.13, 19.96, 1.639) [0.5971, 0.9828, 0.08069]\n", + " PeriodicSite: Li (13.65, 16.89, 9.695) [0.6718, 0.8313, 0.4773]\n", + " PeriodicSite: Li (5.078, 4.792, 2.088) [0.25, 0.2359, 0.1028]\n", + " PeriodicSite: Li (5.036, 8.057, 14.26) [0.2479, 0.3967, 0.7022]\n", + " PeriodicSite: Li (3.659, 18.3, 4.553) [0.1801, 0.9007, 0.2241]\n", + " PeriodicSite: Li (2.119, 15.68, 12.97) [0.1043, 0.7721, 0.6383]\n", + " PeriodicSite: Li (12.76, 10.29, 6.225) [0.6283, 0.5066, 0.3065]\n", + " PeriodicSite: Li (15.1, 6.648, 11.7) [0.7432, 0.3273, 0.5759]\n", + " PeriodicSite: Li (15.04, 18.19, 3.077) [0.7407, 0.8955, 0.1515]\n", + " PeriodicSite: Li (15.4, 2.016, 14.99) [0.7583, 0.09925, 0.7381]\n", + " PeriodicSite: Li (9.758, 3.117, 3.157) [0.4804, 0.1534, 0.1554]\n", + " PeriodicSite: Li (8.315, 4.592, 14.18) [0.4094, 0.2261, 0.6982]\n", + " PeriodicSite: Li (6.687, 10.47, 2.582) [0.3292, 0.5155, 0.1271]\n", + " PeriodicSite: Li (3.337, 10.53, 13.59) [0.1643, 0.5182, 0.6688]\n", + " PeriodicSite: Li (17.1, 1.695, 4.726) [0.8417, 0.08346, 0.2327]\n", + " PeriodicSite: Li (12.97, 3.738, 9.636) [0.6383, 0.184, 0.4744]\n", + " PeriodicSite: Li (18.56, 9.303, 1.519) [0.9136, 0.458, 0.07479]\n", + " PeriodicSite: Li (17.23, 10.03, 13.07) [0.8481, 0.4939, 0.6435]\n", + " PeriodicSite: Li (6.817, 18.79, 5.093) [0.3356, 0.925, 0.2507]\n", + " PeriodicSite: Li (6.004, 2.475, 14.67) [0.2956, 0.1218, 0.7222]\n", + " PeriodicSite: Li (7.209, 13.0, 0.141) [0.3549, 0.6398, 0.006942]\n", + " PeriodicSite: Li (9.872, 13.42, 12.75) [0.486, 0.6608, 0.6277]\n", + " PeriodicSite: Li (15.52, 0.7255, 2.95) [0.7643, 0.03571, 0.1453]\n", + " PeriodicSite: Li (19.03, 2.262, 10.73) [0.9369, 0.1113, 0.5283]\n", + " PeriodicSite: Li (17.23, 11.09, 4.552) [0.8484, 0.5459, 0.2241]\n", + " PeriodicSite: Li (16.56, 14.53, 12.46) [0.8153, 0.7152, 0.6133]\n", + " PeriodicSite: Li (8.123, 5.329, 6.37) [0.3999, 0.2624, 0.3136]\n", + " PeriodicSite: Li (9.795, 1.665, 12.65) [0.4822, 0.08195, 0.6229]\n", + " PeriodicSite: Li (9.867, 13.17, 4.797) [0.4858, 0.6482, 0.2362]\n", + " PeriodicSite: Li (7.183, 13.83, 10.42) [0.3536, 0.681, 0.5131]\n", + " PeriodicSite: Li (20.0, 2.648, 3.208) [0.9847, 0.1304, 0.158]\n", + " PeriodicSite: Li (19.88, 3.733, 13.35) [0.9788, 0.1838, 0.6571]\n", + " PeriodicSite: Li (17.02, 14.93, 2.289) [0.838, 0.735, 0.1127]\n", + " PeriodicSite: Li (15.22, 12.01, 12.36) [0.7495, 0.5911, 0.6087]\n", + " PeriodicSite: Li (2.279, 20.01, 1.071) [0.1122, 0.9849, 0.05271]\n", + " PeriodicSite: Li (7.128, 0.4311, 13.38) [0.3509, 0.02122, 0.6586]\n", + " PeriodicSite: Li (5.166, 13.51, 2.113) [0.2543, 0.6649, 0.104]\n", + " PeriodicSite: Li (8.205, 7.346, 15.28) [0.404, 0.3616, 0.752]\n", + " PeriodicSite: Li (17.7, 4.553, 4.015) [0.8714, 0.2242, 0.1977]\n", + " PeriodicSite: Li (16.97, 20.27, 13.74) [0.8355, 0.9981, 0.6763]\n", + " PeriodicSite: Li (16.68, 12.99, 0.2234) [0.8214, 0.6393, 0.011]\n", + " PeriodicSite: Li (19.93, 11.74, 11.98) [0.9809, 0.5781, 0.5899]\n", + " PeriodicSite: Li (6.745, 3.322, 0.5003) [0.3321, 0.1635, 0.02463]\n", + " PeriodicSite: Li (5.878, 2.682, 11.56) [0.2894, 0.132, 0.5691]\n", + " PeriodicSite: Li (9.691, 11.53, 2.033) [0.4771, 0.5679, 0.1001]\n", + " PeriodicSite: Li (8.272, 10.33, 11.45) [0.4072, 0.5087, 0.5636]\n", + " PeriodicSite: Li (14.99, 3.325, 1.985) [0.7378, 0.1637, 0.0977]\n", + " PeriodicSite: Li (15.82, 3.18, 11.59) [0.7791, 0.1566, 0.5705]\n", + " PeriodicSite: Li (1.227, 12.03, 19.93) [0.0604, 0.5921, 0.9813]\n", + " PeriodicSite: Li (19.43, 13.94, 13.27) [0.9567, 0.6865, 0.6533]\n", + " PeriodicSite: Li (8.414, 0.4066, 1.91) [0.4142, 0.02001, 0.09403]\n", + " PeriodicSite: Li (8.163, 2.029, 10.13) [0.4019, 0.09991, 0.4987]\n", + " PeriodicSite: Li (6.365, 12.11, 4.853) [0.3133, 0.5961, 0.2389]\n", + " PeriodicSite: Li (5.015, 13.47, 12.17) [0.2469, 0.663, 0.5989]\n", + " PeriodicSite: Li (16.9, 3.06, 20.18) [0.8318, 0.1507, 0.9937]\n", + " PeriodicSite: Li (0.7883, 7.084, 14.24) [0.03881, 0.3488, 0.7011]\n", + " PeriodicSite: Li (3.015, 15.55, 8.844) [0.1484, 0.7655, 0.4354]\n", + " PeriodicSite: Li (17.2, 13.17, 10.03) [0.8468, 0.6486, 0.4939]\n", + " PeriodicSite: Li (12.12, 6.967, 4.885) [0.5967, 0.343, 0.2405]\n", + " PeriodicSite: Li (5.273, 8.139, 17.43) [0.2596, 0.4007, 0.8579]\n", + " PeriodicSite: Li (5.861, 16.83, 9.206) [0.2886, 0.8287, 0.4532]\n", + " PeriodicSite: Li (6.84, 15.35, 18.44) [0.3367, 0.7558, 0.9078]\n", + " PeriodicSite: Li (16.24, 9.341, 7.261) [0.7996, 0.4599, 0.3574]\n", + " PeriodicSite: Li (3.089, 5.133, 18.56) [0.1521, 0.2527, 0.9138]\n", + " PeriodicSite: Li (17.65, 19.4, 5.766) [0.8688, 0.9549, 0.2839]\n", + " PeriodicSite: Li (19.45, 18.11, 19.24) [0.9574, 0.8915, 0.947]\n", + " PeriodicSite: Li (6.965, 8.25, 4.696) [0.3429, 0.4062, 0.2312]\n", + " PeriodicSite: Li (8.899, 5.496, 17.51) [0.4381, 0.2706, 0.8621]\n", + " PeriodicSite: Li (8.506, 19.9, 7.828) [0.4188, 0.9799, 0.3854]\n", + " PeriodicSite: Li (7.264, 20.19, 16.87) [0.3576, 0.9942, 0.8307]\n", + " PeriodicSite: Li (18.68, 9.659, 8.367) [0.9194, 0.4755, 0.4119]\n", + " PeriodicSite: Li (18.27, 7.385, 15.07) [0.8997, 0.3636, 0.7417]\n", + " PeriodicSite: Li (18.33, 20.06, 8.891) [0.9024, 0.9875, 0.4377]\n", + " PeriodicSite: Li (18.45, 15.37, 16.42) [0.9082, 0.7569, 0.8084]\n", + " PeriodicSite: Li (6.697, 6.367, 9.165) [0.3297, 0.3134, 0.4512]\n", + " PeriodicSite: Li (6.889, 5.834, 19.6) [0.3392, 0.2872, 0.965]\n", + " PeriodicSite: Li (8.515, 17.92, 9.678) [0.4192, 0.8823, 0.4765]\n", + " PeriodicSite: Li (11.2, 13.0, 15.86) [0.5513, 0.6399, 0.7808]\n", + " PeriodicSite: Li (0.227, 7.225, 7.073) [0.01118, 0.3557, 0.3482]\n", + " PeriodicSite: Li (18.32, 5.519, 17.07) [0.902, 0.2717, 0.8404]\n", + " PeriodicSite: Li (16.79, 17.6, 9.725) [0.8265, 0.8664, 0.4788]\n", + " PeriodicSite: Li (17.15, 16.21, 19.66) [0.8442, 0.7981, 0.9679]\n", + " PeriodicSite: Li (9.728, 8.084, 8.413) [0.4789, 0.398, 0.4142]\n", + " PeriodicSite: Li (8.209, 8.706, 19.94) [0.4041, 0.4286, 0.9816]\n", + " PeriodicSite: Li (5.573, 19.39, 7.336) [0.2743, 0.9547, 0.3612]\n", + " PeriodicSite: Li (7.302, 14.98, 2.199) [0.3595, 0.7373, 0.1083]\n", + " PeriodicSite: Li (15.79, 6.293, 8.193) [0.7774, 0.3098, 0.4033]\n", + " PeriodicSite: Li (19.24, 9.235, 18.1) [0.9471, 0.4546, 0.8913]\n", + " PeriodicSite: Li (15.37, 18.12, 6.653) [0.7566, 0.8921, 0.3275]\n", + " PeriodicSite: Li (15.84, 17.76, 16.16) [0.78, 0.8741, 0.7958]\n", + " PeriodicSite: Li (7.092, 4.975, 11.69) [0.3491, 0.2449, 0.5754]\n", + " PeriodicSite: Li (7.151, 9.961, 16.83) [0.352, 0.4904, 0.8285]\n", + " PeriodicSite: Li (10.29, 17.13, 7.166) [0.5066, 0.8434, 0.3528]\n", + " PeriodicSite: Li (10.34, 18.07, 2.428) [0.5089, 0.8895, 0.1196]\n", + " PeriodicSite: Li (17.43, 8.116, 5.201) [0.8582, 0.3996, 0.256]\n", + " PeriodicSite: Li (14.75, 3.71, 18.22) [0.726, 0.1827, 0.8969]\n", + " PeriodicSite: Li (19.42, 17.45, 6.99) [0.9561, 0.8589, 0.3441]\n", + " PeriodicSite: Li (17.98, 0.1721, 2.014) [0.8851, 0.008466, 0.09913]\n", + " PeriodicSite: Li (3.469, 10.73, 3.327) [0.1708, 0.5283, 0.1638]\n", + " PeriodicSite: Li (10.21, 8.369, 17.84) [0.5025, 0.412, 0.8782]\n", + " PeriodicSite: Li (7.799, 15.65, 6.517) [0.384, 0.7706, 0.3209]\n", + " PeriodicSite: Li (9.106, 17.83, 19.53) [0.4483, 0.878, 0.9614]\n", + " PeriodicSite: Li (18.3, 5.533, 6.747) [0.9008, 0.2724, 0.3322]\n", + " PeriodicSite: Li (16.54, 12.21, 14.95) [0.814, 0.6011, 0.7361]\n", + " PeriodicSite: Li (17.73, 14.33, 4.738) [0.873, 0.7053, 0.2333]\n", + " PeriodicSite: Li (13.47, 19.94, 14.12) [0.6633, 0.9817, 0.6951]\n", + " PeriodicSite: Cl (7.691, 12.56, 12.55) [0.3786, 0.6183, 0.6179]\n", + " PeriodicSite: Cl (2.5, 12.69, 17.86) [0.1231, 0.6249, 0.8791]\n", + " PeriodicSite: Cl (12.89, 17.28, 12.1) [0.6344, 0.8508, 0.5958]\n", + " PeriodicSite: Cl (17.63, 7.666, 17.24) [0.8678, 0.3774, 0.849]\n", + " PeriodicSite: Cl (7.839, 2.684, 2.657) [0.3859, 0.1322, 0.1308]\n", + " PeriodicSite: Cl (7.488, 7.71, 7.296) [0.3686, 0.3796, 0.3592]\n", + " PeriodicSite: Cl (12.88, 12.37, 7.69) [0.6342, 0.6089, 0.3786]\n", + " PeriodicSite: Cl (2.523, 7.585, 2.33) [0.1242, 0.3734, 0.1147]\n", + " PeriodicSite: Cl (2.671, 7.557, 12.72) [0.1315, 0.372, 0.6264]\n", + " PeriodicSite: Cl (13.12, 12.62, 17.62) [0.646, 0.6212, 0.8677]\n", + " PeriodicSite: Cl (17.39, 18.14, 18.08) [0.8561, 0.8929, 0.8903]\n", + " PeriodicSite: Cl (2.484, 2.924, 7.115) [0.1223, 0.1439, 0.3503]\n", + " PeriodicSite: Cl (12.58, 2.862, 18.29) [0.6192, 0.1409, 0.9006]\n", + " PeriodicSite: Cl (12.47, 7.803, 2.689) [0.614, 0.3842, 0.1324]\n", + " PeriodicSite: Cl (17.79, 2.551, 12.85) [0.8758, 0.1256, 0.6327]\n", + " PeriodicSite: Cl (7.685, 17.46, 17.74) [0.3783, 0.8594, 0.8736]\n", + " PeriodicSite: Cl (20.18, 19.98, 0.1403) [0.9936, 0.9835, 0.006912]\n", + " PeriodicSite: Cl (0.1169, 0.3129, 9.997) [0.00576, 0.01541, 0.4922]\n", + " PeriodicSite: Cl (20.19, 10.03, 0.01112) [0.9939, 0.4939, 0.0005538]\n", + " PeriodicSite: Cl (0.1494, 10.28, 9.734) [0.007354, 0.5059, 0.4792]\n", + " PeriodicSite: Cl (9.991, 19.64, 0.4827) [0.4918, 0.9671, 0.02377]\n", + " PeriodicSite: Cl (9.806, 0.5372, 9.639) [0.4827, 0.02644, 0.4745]\n", + " PeriodicSite: Cl (10.58, 10.03, 0.2105) [0.5209, 0.4936, 0.01037]\n", + " PeriodicSite: Cl (9.988, 9.737, 10.06) [0.4917, 0.4794, 0.4954]\n", + " PeriodicSite: Cl (20.11, 5.316, 5.15) [0.9899, 0.2617, 0.2536]\n", + " PeriodicSite: Cl (19.87, 5.238, 15.4) [0.9781, 0.2579, 0.7583]\n", + " PeriodicSite: Cl (19.67, 15.35, 5.792) [0.9681, 0.7558, 0.2852]\n", + " PeriodicSite: Cl (20.27, 15.59, 15.06) [0.9977, 0.7677, 0.7416]\n", + " PeriodicSite: Cl (10.29, 5.219, 4.941) [0.5064, 0.2569, 0.2432]\n", + " PeriodicSite: Cl (9.94, 5.651, 15.36) [0.4893, 0.2782, 0.7561]\n", + " PeriodicSite: Cl (10.12, 15.45, 5.081) [0.4985, 0.7606, 0.2501]\n", + " PeriodicSite: Cl (10.29, 15.61, 15.34) [0.5066, 0.7684, 0.7552]\n", + " PeriodicSite: S (5.107, 5.167e-05, 5.1) [0.2514, 6e-07, 0.2511]\n", + " PeriodicSite: S (5.0, 0.3037, 15.1) [0.2462, 0.01495, 0.7435]\n", + " PeriodicSite: S (5.058, 9.892, 4.618) [0.249, 0.487, 0.2273]\n", + " PeriodicSite: S (4.854, 10.21, 15.33) [0.239, 0.5026, 0.7548]\n", + " PeriodicSite: S (15.32, 20.12, 5.146) [0.7544, 0.9904, 0.2534]\n", + " PeriodicSite: S (15.41, 20.17, 15.46) [0.7588, 0.9931, 0.7609]\n", + " PeriodicSite: S (15.29, 10.21, 5.398) [0.7527, 0.5027, 0.2657]\n", + " PeriodicSite: S (15.35, 10.17, 14.65) [0.7557, 0.5005, 0.721]\n", + " PeriodicSite: S (4.964, 4.818, 20.2) [0.2444, 0.2372, 0.9947]\n", + " PeriodicSite: S (5.26, 5.131, 10.44) [0.2589, 0.2526, 0.5141]\n", + " PeriodicSite: S (5.29, 15.15, 0.2779) [0.2604, 0.7461, 0.01368]\n", + " PeriodicSite: S (4.797, 14.97, 10.16) [0.2361, 0.7369, 0.5002]\n", + " PeriodicSite: S (15.01, 4.776, 0.1288) [0.7387, 0.2351, 0.006345]\n", + " PeriodicSite: S (14.98, 5.204, 9.977) [0.7373, 0.2562, 0.4912]\n", + " PeriodicSite: S (15.34, 14.95, 0.425) [0.755, 0.736, 0.02093]\n", + " PeriodicSite: S (15.21, 15.07, 10.35) [0.7486, 0.7418, 0.5096]\n", + " PeriodicSite: S (8.715, 3.987, 8.528) [0.4291, 0.1963, 0.4198]\n", + " PeriodicSite: S (8.999, 4.011, 19.5) [0.443, 0.1974, 0.96]\n", + " PeriodicSite: S (8.998, 13.98, 8.483) [0.443, 0.6883, 0.4176]\n", + " PeriodicSite: S (8.999, 13.88, 19.26) [0.443, 0.6834, 0.948]\n", + " PeriodicSite: S (19.25, 4.258, 8.869) [0.9478, 0.2096, 0.4366]\n", + " PeriodicSite: S (18.91, 4.047, 19.15) [0.931, 0.1992, 0.943]\n", + " PeriodicSite: S (19.04, 14.2, 8.939) [0.9375, 0.6989, 0.4401]\n", + " PeriodicSite: S (18.84, 13.77, 19.44) [0.9277, 0.6777, 0.9573]\n", + " PeriodicSite: S (3.911, 1.438, 1.136) [0.1926, 0.07081, 0.05593]\n", + " PeriodicSite: S (3.984, 1.153, 11.27) [0.1961, 0.05677, 0.5548]\n", + " PeriodicSite: S (3.725, 11.53, 0.8527) [0.1834, 0.5678, 0.04198]\n", + " PeriodicSite: S (3.456, 11.33, 11.23) [0.1702, 0.5579, 0.5527]\n", + " PeriodicSite: S (13.81, 1.456, 1.436) [0.68, 0.07168, 0.07071]\n", + " PeriodicSite: S (13.84, 1.23, 11.19) [0.6815, 0.06056, 0.5507]\n", + " PeriodicSite: S (14.32, 11.16, 1.387) [0.7051, 0.5496, 0.06829]\n", + " PeriodicSite: S (13.84, 10.78, 11.14) [0.6814, 0.5306, 0.5486]\n", + " PeriodicSite: S (6.246, 1.108, 9.036) [0.3075, 0.05454, 0.4448]\n", + " PeriodicSite: S (6.413, 1.169, 18.98) [0.3157, 0.05756, 0.9344]\n", + " PeriodicSite: S (6.191, 11.67, 9.37) [0.3048, 0.5746, 0.4613]\n", + " PeriodicSite: S (6.316, 11.39, 18.97) [0.3109, 0.5605, 0.9341]\n", + " PeriodicSite: S (16.52, 1.35, 9.207) [0.8135, 0.06645, 0.4533]\n", + " PeriodicSite: S (15.83, 1.353, 18.94) [0.7794, 0.0666, 0.9325]\n", + " PeriodicSite: S (16.55, 11.2, 8.983) [0.8146, 0.5512, 0.4422]\n", + " PeriodicSite: S (16.81, 10.54, 19.31) [0.8274, 0.5187, 0.9506]\n", + " PeriodicSite: S (1.031, 3.92, 1.203) [0.05076, 0.193, 0.05924]\n", + " PeriodicSite: S (1.367, 3.731, 11.12) [0.06728, 0.1837, 0.5476]\n", + " PeriodicSite: S (0.8831, 14.01, 1.266) [0.04347, 0.69, 0.06232]\n", + " PeriodicSite: S (0.8233, 14.06, 11.41) [0.04053, 0.6924, 0.5617]\n", + " PeriodicSite: S (11.23, 4.567, 1.64) [0.5529, 0.2248, 0.08075]\n", + " PeriodicSite: S (11.12, 3.573, 10.9) [0.5475, 0.1759, 0.5364]\n", + " PeriodicSite: S (11.35, 13.65, 1.097) [0.5585, 0.6721, 0.05402]\n", + " PeriodicSite: S (11.36, 13.74, 10.95) [0.5591, 0.6766, 0.5389]\n", + " PeriodicSite: S (2.997, 2.474, 17.97) [0.1475, 0.1218, 0.8844]\n", + " PeriodicSite: S (2.529, 12.96, 7.575) [0.1245, 0.6379, 0.3729]\n", + " PeriodicSite: S (12.95, 2.268, 7.754) [0.6376, 0.1117, 0.3817]\n", + " PeriodicSite: S (9.061, 9.177, 3.593) [0.4461, 0.4518, 0.1769]\n", + " PeriodicSite: S (8.63, 9.364, 14.02) [0.4249, 0.461, 0.69]\n", + " PeriodicSite: S (9.047, 19.16, 3.894) [0.4454, 0.9433, 0.1917]\n", + " PeriodicSite: S (9.585, 19.74, 13.59) [0.4719, 0.9717, 0.6691]\n", + " PeriodicSite: S (19.4, 8.986, 4.036) [0.9553, 0.4424, 0.1987]\n", + " PeriodicSite: S (19.4, 8.95, 13.8) [0.9552, 0.4406, 0.6794]\n", + " PeriodicSite: S (19.25, 18.95, 3.789) [0.9479, 0.933, 0.1865]\n", + " PeriodicSite: S (19.32, 19.48, 14.23) [0.9512, 0.9589, 0.7004]\n", + " PeriodicSite: S (3.395, 6.325, 6.033) [0.1671, 0.3114, 0.297]\n", + " PeriodicSite: S (4.17, 6.603, 16.1) [0.2053, 0.325, 0.7927]\n", + " PeriodicSite: S (3.38, 16.29, 6.354) [0.1664, 0.8019, 0.3128]\n", + " PeriodicSite: S (3.66, 16.53, 16.72) [0.1802, 0.8139, 0.8232]\n", + " PeriodicSite: S (13.89, 6.122, 6.54) [0.6839, 0.3014, 0.322]\n", + " PeriodicSite: S (13.57, 5.532, 16.52) [0.6681, 0.2723, 0.8133]\n", + " PeriodicSite: S (13.6, 16.39, 6.175) [0.6696, 0.8068, 0.304]\n", + " PeriodicSite: S (13.95, 16.32, 16.69) [0.6867, 0.8034, 0.8216]\n", + " PeriodicSite: S (5.943, 6.292, 3.837) [0.2926, 0.3098, 0.1889]\n", + " PeriodicSite: S (6.551, 6.347, 13.9) [0.3225, 0.3125, 0.6845]\n", + " PeriodicSite: S (6.055, 16.53, 4.153) [0.2981, 0.814, 0.2045]\n", + " PeriodicSite: S (5.873, 16.7, 14.18) [0.2891, 0.8222, 0.6981]\n", + " PeriodicSite: S (16.13, 6.369, 3.862) [0.7942, 0.3135, 0.1901]\n", + " PeriodicSite: S (15.67, 6.654, 14.33) [0.7713, 0.3276, 0.7054]\n", + " PeriodicSite: S (16.33, 16.52, 3.97) [0.8039, 0.8132, 0.1954]\n", + " PeriodicSite: S (16.4, 16.3, 14.59) [0.8074, 0.8026, 0.7182]\n", + " PeriodicSite: S (1.455, 9.501, 6.267) [0.07164, 0.4678, 0.3085]\n", + " PeriodicSite: S (1.068, 9.048, 16.34) [0.05258, 0.4454, 0.8042]\n", + " PeriodicSite: S (1.417, 18.87, 6.111) [0.06973, 0.929, 0.3009]\n", + " PeriodicSite: S (1.306, 19.42, 16.64) [0.0643, 0.9561, 0.819]\n", + " PeriodicSite: S (10.94, 8.795, 6.202) [0.5388, 0.433, 0.3053]\n", + " PeriodicSite: S (11.54, 8.895, 16.04) [0.568, 0.4379, 0.7896]\n", + " PeriodicSite: S (11.12, 19.25, 6.497) [0.5476, 0.9477, 0.3199]\n", + " PeriodicSite: S (11.96, 18.87, 15.66) [0.5887, 0.9288, 0.7712]\n", + " PeriodicSite: S (2.675, 17.84, 2.43) [0.1317, 0.8782, 0.1196]\n", + " PeriodicSite: S (2.079, 17.96, 12.92) [0.1024, 0.8844, 0.636]\n", + " PeriodicSite: S (12.55, 7.079, 12.23) [0.6181, 0.3485, 0.6022]\n", + " PeriodicSite: S (12.73, 17.78, 2.515) [0.6268, 0.8754, 0.1238]\n", + " PeriodicSite: S (3.912, 3.808, 3.936) [0.1926, 0.1875, 0.1938]\n", + " PeriodicSite: S (4.393, 3.899, 14.06) [0.2163, 0.1919, 0.6921]\n", + " PeriodicSite: S (3.764, 14.13, 3.83) [0.1853, 0.6955, 0.1885]\n", + " PeriodicSite: S (3.506, 14.2, 14.17) [0.1726, 0.6992, 0.6978]\n", + " PeriodicSite: S (13.89, 3.964, 4.213) [0.6838, 0.1951, 0.2074]\n", + " PeriodicSite: S (14.13, 3.659, 13.79) [0.6956, 0.1802, 0.6788]\n", + " PeriodicSite: S (13.64, 14.22, 3.804) [0.6716, 0.7001, 0.1873]\n", + " PeriodicSite: S (14.03, 13.94, 14.18) [0.6909, 0.6863, 0.6979]\n", + " PeriodicSite: S (8.882, 1.401, 6.184) [0.4373, 0.06898, 0.3045]\n", + " PeriodicSite: S (9.634, 0.7128, 16.83) [0.4743, 0.03509, 0.8284]\n", + " PeriodicSite: S (8.702, 11.32, 6.271) [0.4284, 0.5573, 0.3087]\n", + " PeriodicSite: S (9.521, 11.33, 16.62) [0.4687, 0.5577, 0.818]\n", + " PeriodicSite: S (19.25, 1.056, 6.258) [0.9477, 0.052, 0.3081]\n", + " PeriodicSite: S (18.96, 1.585, 16.57) [0.9336, 0.07805, 0.8159]\n", + " PeriodicSite: S (18.94, 11.43, 6.279) [0.9326, 0.5627, 0.3091]\n", + " PeriodicSite: S (18.68, 11.13, 16.14) [0.9194, 0.5481, 0.7946]\n", + " PeriodicSite: S (1.398, 0.9675, 3.591) [0.06881, 0.04763, 0.1768]\n", + " PeriodicSite: S (1.235, 1.735, 14.37) [0.06079, 0.0854, 0.7073]\n", + " PeriodicSite: S (1.24, 11.87, 4.095) [0.06105, 0.5843, 0.2016]\n", + " PeriodicSite: S (0.9955, 11.6, 14.1) [0.04901, 0.5709, 0.6942]\n", + " PeriodicSite: S (11.45, 1.235, 3.928) [0.5637, 0.06078, 0.1934]\n", + " PeriodicSite: S (11.89, 1.778, 14.58) [0.5855, 0.08752, 0.7178]\n", + " PeriodicSite: S (11.25, 11.58, 4.221) [0.5538, 0.5699, 0.2078]\n", + " PeriodicSite: S (11.37, 11.4, 13.92) [0.5597, 0.5612, 0.6851]\n", + " PeriodicSite: S (5.989, 4.44, 6.677) [0.2948, 0.2186, 0.3287]\n", + " PeriodicSite: S (6.596, 4.174, 16.49) [0.3247, 0.2055, 0.812]\n", + " PeriodicSite: S (6.074, 14.08, 6.217) [0.299, 0.6932, 0.3061]\n", + " PeriodicSite: S (6.032, 14.22, 16.46) [0.297, 0.6999, 0.8102]\n", + " PeriodicSite: S (16.63, 4.169, 6.218) [0.8186, 0.2052, 0.3061]\n", + " PeriodicSite: S (16.35, 3.651, 16.23) [0.8051, 0.1797, 0.7992]\n", + " PeriodicSite: S (15.89, 14.11, 6.363) [0.7821, 0.6946, 0.3132]\n", + " PeriodicSite: S (16.32, 13.78, 16.67) [0.8035, 0.6783, 0.8205]\n", + " PeriodicSite: S (7.784, 2.742, 12.69) [0.3832, 0.135, 0.6248]\n", + " PeriodicSite: S (7.371, 12.7, 2.572) [0.3629, 0.6255, 0.1266]\n", + " PeriodicSite: S (17.47, 2.344, 2.63) [0.8601, 0.1154, 0.1295]\n", + " PeriodicSite: S (17.42, 12.74, 2.849) [0.8576, 0.6273, 0.1403]\n", + " PeriodicSite: S (17.59, 12.55, 12.26) [0.8658, 0.6177, 0.6036]\n", + " PeriodicSite: S (4.223, 8.998, 8.9) [0.2079, 0.443, 0.4382]\n", + " PeriodicSite: S (3.8, 9.019, 19.04) [0.1871, 0.444, 0.9376]\n", + " PeriodicSite: S (4.097, 18.78, 9.334) [0.2017, 0.9246, 0.4595]\n", + " PeriodicSite: S (3.771, 19.16, 19.44) [0.1856, 0.9431, 0.9571]\n", + " PeriodicSite: S (14.41, 8.78, 8.543) [0.7094, 0.4322, 0.4206]\n", + " PeriodicSite: S (13.92, 8.713, 19.38) [0.6851, 0.429, 0.9539]\n", + " PeriodicSite: S (14.22, 19.26, 8.971) [0.7002, 0.9481, 0.4417]\n", + " PeriodicSite: S (13.38, 19.32, 19.3) [0.6587, 0.9511, 0.9501]\n", + " PeriodicSite: S (8.813, 6.765, 0.9464) [0.4339, 0.333, 0.0466]\n", + " PeriodicSite: S (9.031, 6.478, 10.91) [0.4446, 0.3189, 0.537]\n", + " PeriodicSite: S (9.04, 16.1, 1.626) [0.445, 0.7924, 0.08003]\n", + " PeriodicSite: S (8.754, 15.95, 11.04) [0.431, 0.7851, 0.5434]\n", + " PeriodicSite: S (19.03, 6.183, 1.545) [0.937, 0.3044, 0.07606]\n", + " PeriodicSite: S (19.24, 6.236, 11.65) [0.9474, 0.307, 0.5734]\n", + " PeriodicSite: S (18.84, 16.33, 1.033) [0.9276, 0.8038, 0.05086]\n", + " PeriodicSite: S (18.83, 16.25, 11.75) [0.9272, 0.8001, 0.5783]\n", + " PeriodicSite: S (1.39, 6.714, 9.298) [0.06842, 0.3305, 0.4578]\n", + " PeriodicSite: S (0.9612, 6.399, 19.06) [0.04732, 0.3151, 0.9385]\n", + " PeriodicSite: S (0.8969, 16.78, 9.42) [0.04415, 0.826, 0.4638]\n", + " PeriodicSite: S (0.9512, 16.2, 18.89) [0.04683, 0.7977, 0.93]\n", + " PeriodicSite: S (11.24, 5.997, 8.351) [0.5531, 0.2952, 0.4111]\n", + " PeriodicSite: S (11.33, 6.287, 18.82) [0.5578, 0.3095, 0.9263]\n", + " PeriodicSite: S (11.48, 15.94, 8.682) [0.5654, 0.7849, 0.4274]\n", + " PeriodicSite: S (11.18, 16.68, 19.61) [0.5503, 0.8211, 0.9654]\n", + " PeriodicSite: S (6.203, 8.955, 0.9909) [0.3054, 0.4409, 0.04879]\n", + " PeriodicSite: S (5.976, 9.331, 11.87) [0.2942, 0.4594, 0.5843]\n", + " PeriodicSite: S (6.265, 19.42, 1.443) [0.3084, 0.9562, 0.07103]\n", + " PeriodicSite: S (6.524, 19.17, 11.55) [0.3212, 0.9439, 0.5685]\n", + " PeriodicSite: S (16.27, 8.593, 1.535) [0.8012, 0.423, 0.07555]\n", + " PeriodicSite: S (16.46, 8.692, 11.16) [0.8101, 0.4279, 0.5492]\n", + " PeriodicSite: S (16.17, 19.26, 0.9008) [0.7961, 0.9481, 0.04435]\n", + " PeriodicSite: S (16.29, 19.06, 11.6) [0.802, 0.9385, 0.5712]\n", + " PeriodicSite: S (7.722, 7.766, 17.75) [0.3802, 0.3823, 0.8739]\n", + " PeriodicSite: S (7.831, 17.71, 7.619) [0.3855, 0.8721, 0.3751]\n", + " PeriodicSite: S (17.92, 7.608, 7.585) [0.8824, 0.3745, 0.3734]\n", + " PeriodicSite: S (17.41, 18.0, 7.627) [0.8573, 0.8861, 0.3755]\n", + " PeriodicSite: P (5.166, 0.1869, 0.04803) [0.2543, 0.009197, 0.002366]\n", + " PeriodicSite: P (5.26, 20.29, 10.36) [0.2589, 0.999, 0.51]\n", + " PeriodicSite: P (5.084, 10.27, 20.15) [0.2503, 0.5057, 0.9922]\n", + " PeriodicSite: P (5.028, 10.29, 10.2) [0.2475, 0.5066, 0.5024]\n", + " PeriodicSite: P (14.8, 0.162, 20.29) [0.7285, 0.00797, 0.999]\n", + " PeriodicSite: P (15.27, 0.09457, 10.29) [0.7517, 0.004649, 0.5064]\n", + " PeriodicSite: P (15.34, 9.67, 0.1057) [0.755, 0.4761, 0.005211]\n", + " PeriodicSite: P (15.25, 9.906, 10.02) [0.7506, 0.4877, 0.4935]\n", + " PeriodicSite: P (4.897, 5.16, 5.146) [0.2411, 0.254, 0.2533]\n", + " PeriodicSite: P (5.406, 5.259, 15.17) [0.2661, 0.2589, 0.7467]\n", + " PeriodicSite: P (4.803, 15.27, 5.166) [0.2364, 0.7518, 0.2543]\n", + " PeriodicSite: P (4.73, 15.4, 15.33) [0.2329, 0.7581, 0.7547]\n", + " PeriodicSite: P (15.09, 5.221, 5.25) [0.743, 0.257, 0.2585]\n", + " PeriodicSite: P (15.06, 4.884, 15.11) [0.7416, 0.2405, 0.7437]\n", + " PeriodicSite: P (14.89, 15.4, 4.962) [0.7332, 0.7581, 0.2443]\n", + " PeriodicSite: P (15.08, 15.08, 15.55) [0.7424, 0.7426, 0.7653]\n", + " PeriodicSite: P (0.2055, 20.1, 4.94) [0.01011, 0.9895, 0.2432]\n", + " PeriodicSite: P (0.1124, 0.4413, 15.49) [0.005536, 0.02172, 0.7624]\n", + " PeriodicSite: P (0.0226, 10.51, 5.16) [0.001109, 0.5177, 0.254]\n", + " PeriodicSite: P (20.22, 10.25, 15.17) [0.9953, 0.5045, 0.747]\n", + " PeriodicSite: P (10.09, 0.1516, 5.173) [0.4967, 0.007458, 0.2547]\n", + " PeriodicSite: P (10.77, 0.1555, 15.17) [0.5301, 0.00765, 0.7467]\n", + " PeriodicSite: P (9.928, 10.27, 5.044) [0.4887, 0.5054, 0.2483]\n", + " PeriodicSite: P (10.22, 10.21, 15.14) [0.5031, 0.5027, 0.7452]\n", + " PeriodicSite: P (20.1, 5.255, 20.31) [0.9895, 0.2587, 0.9998]\n", + " PeriodicSite: P (0.198, 5.22, 10.24) [0.009748, 0.257, 0.504]\n", + " PeriodicSite: P (20.11, 15.05, 20.31) [0.9899, 0.7407, 0.9998]\n", + " PeriodicSite: P (20.02, 15.36, 10.39) [0.9855, 0.7562, 0.5113]\n", + " PeriodicSite: P (10.2, 5.388, 0.109) [0.5023, 0.2652, 0.005369]\n", + " PeriodicSite: P (10.07, 5.012, 9.728) [0.4958, 0.2467, 0.4789]\n", + " PeriodicSite: P (10.15, 15.05, 0.166) [0.4998, 0.741, 0.008175]\n", + " PeriodicSite: P (10.18, 15.01, 9.901) [0.5012, 0.7389, 0.4874],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.006, 4.063, 5.42) [0.09878, 0.2, 0.2668]\n", + " PeriodicSite: Li (0.3147, 2.735, 17.74) [0.0155, 0.1346, 0.8734]\n", + " PeriodicSite: Li (2.751, 13.52, 10.32) [0.1354, 0.6655, 0.5082]\n", + " PeriodicSite: Li (1.581, 14.93, 17.37) [0.07781, 0.7349, 0.8553]\n", + " PeriodicSite: Li (14.09, 0.5779, 7.06) [0.6936, 0.02845, 0.3476]\n", + " PeriodicSite: Li (12.08, 3.648, 15.98) [0.5945, 0.1796, 0.7867]\n", + " PeriodicSite: Li (15.47, 12.24, 3.253) [0.7615, 0.6025, 0.1601]\n", + " PeriodicSite: Li (17.2, 10.09, 16.92) [0.8468, 0.4966, 0.833]\n", + " PeriodicSite: Li (3.505, 3.744, 9.14) [0.1725, 0.1843, 0.45]\n", + " PeriodicSite: Li (4.428, 0.9517, 17.61) [0.218, 0.04685, 0.8668]\n", + " PeriodicSite: Li (5.181, 10.36, 7.304) [0.2551, 0.5101, 0.3596]\n", + " PeriodicSite: Li (6.779, 10.6, 14.37) [0.3337, 0.5217, 0.7074]\n", + " PeriodicSite: Li (12.56, 4.781, 7.028) [0.6183, 0.2354, 0.346]\n", + " PeriodicSite: Li (13.18, 6.36, 19.5) [0.6489, 0.3131, 0.96]\n", + " PeriodicSite: Li (11.1, 8.81, 12.11) [0.5464, 0.4337, 0.5963]\n", + " PeriodicSite: Li (11.17, 16.8, 16.74) [0.55, 0.8269, 0.8239]\n", + " PeriodicSite: Li (3.442, 1.366, 5.562) [0.1695, 0.06724, 0.2738]\n", + " PeriodicSite: Li (3.118, 2.277, 15.65) [0.1535, 0.1121, 0.7706]\n", + " PeriodicSite: Li (3.379, 11.86, 5.972) [0.1663, 0.5837, 0.294]\n", + " PeriodicSite: Li (4.368, 12.48, 16.13) [0.2151, 0.6143, 0.7939]\n", + " PeriodicSite: Li (12.32, 0.3203, 9.269) [0.6065, 0.01576, 0.4563]\n", + " PeriodicSite: Li (10.86, 0.6273, 18.26) [0.5347, 0.03088, 0.8992]\n", + " PeriodicSite: Li (13.37, 12.98, 9.666) [0.6581, 0.6391, 0.4759]\n", + " PeriodicSite: Li (10.68, 12.24, 18.79) [0.5256, 0.6028, 0.925]\n", + " PeriodicSite: Li (0.2143, 1.725, 8.032) [0.01055, 0.08491, 0.3954]\n", + " PeriodicSite: Li (3.117, 3.387, 0.4116) [0.1534, 0.1668, 0.02026]\n", + " PeriodicSite: Li (0.2355, 12.66, 7.965) [0.01159, 0.6231, 0.3921]\n", + " PeriodicSite: Li (4.259, 13.7, 19.07) [0.2097, 0.6746, 0.9389]\n", + " PeriodicSite: Li (13.38, 1.716, 4.973) [0.6586, 0.08448, 0.2448]\n", + " PeriodicSite: Li (14.03, 20.27, 16.89) [0.6905, 0.9979, 0.8313]\n", + " PeriodicSite: Li (10.13, 11.57, 8.438) [0.4989, 0.5697, 0.4154]\n", + " PeriodicSite: Li (14.09, 14.52, 18.26) [0.6935, 0.715, 0.8988]\n", + " PeriodicSite: Li (6.281, 2.037, 5.255) [0.3092, 0.1003, 0.2587]\n", + " PeriodicSite: Li (1.864, 0.2791, 18.44) [0.09177, 0.01374, 0.908]\n", + " PeriodicSite: Li (5.383, 13.54, 8.296) [0.265, 0.6665, 0.4084]\n", + " PeriodicSite: Li (0.6654, 17.69, 14.53) [0.03275, 0.8707, 0.7151]\n", + " PeriodicSite: Li (15.85, 3.172, 8.635) [0.7804, 0.1562, 0.4251]\n", + " PeriodicSite: Li (13.0, 3.629, 0.1818) [0.6402, 0.1787, 0.008954]\n", + " PeriodicSite: Li (16.53, 15.05, 8.255) [0.814, 0.7409, 0.4064]\n", + " PeriodicSite: Li (13.82, 13.42, 1.327) [0.6804, 0.6606, 0.06533]\n", + " PeriodicSite: Li (5.144, 20.12, 2.984) [0.2533, 0.9905, 0.1469]\n", + " PeriodicSite: Li (5.111, 3.263, 18.54) [0.2516, 0.1606, 0.9129]\n", + " PeriodicSite: Li (1.857, 13.78, 5.769) [0.09143, 0.6782, 0.284]\n", + " PeriodicSite: Li (19.98, 11.91, 2.384) [0.9834, 0.5863, 0.1174]\n", + " PeriodicSite: Li (10.56, 2.356, 7.818) [0.5199, 0.116, 0.3849]\n", + " PeriodicSite: Li (17.16, 20.18, 17.08) [0.8448, 0.9933, 0.8409]\n", + " PeriodicSite: Li (14.9, 12.05, 7.037) [0.7336, 0.5933, 0.3464]\n", + " PeriodicSite: Li (13.81, 11.79, 15.55) [0.68, 0.5805, 0.7655]\n", + " PeriodicSite: Li (3.104, 10.3, 16.97) [0.1528, 0.5073, 0.8354]\n", + " PeriodicSite: Li (2.352, 10.81, 8.702) [0.1158, 0.5323, 0.4284]\n", + " PeriodicSite: Li (4.497, 16.82, 18.99) [0.2214, 0.8279, 0.9348]\n", + " PeriodicSite: Li (2.327, 19.02, 10.56) [0.1146, 0.9364, 0.5197]\n", + " PeriodicSite: Li (14.12, 6.293, 2.264) [0.6954, 0.3098, 0.1115]\n", + " PeriodicSite: Li (14.3, 8.522, 16.12) [0.7038, 0.4196, 0.7938]\n", + " PeriodicSite: Li (12.29, 14.77, 6.658) [0.6049, 0.7271, 0.3278]\n", + " PeriodicSite: Li (14.64, 18.01, 13.4) [0.7208, 0.8865, 0.6596]\n", + " PeriodicSite: Li (4.605, 7.345, 0.5324) [0.2267, 0.3616, 0.02621]\n", + " PeriodicSite: Li (3.072, 5.211, 12.01) [0.1512, 0.2566, 0.5915]\n", + " PeriodicSite: Li (4.792, 17.1, 1.687) [0.2359, 0.8419, 0.08307]\n", + " PeriodicSite: Li (3.685, 18.83, 15.22) [0.1814, 0.9273, 0.7494]\n", + " PeriodicSite: Li (16.74, 6.587, 0.0669) [0.824, 0.3243, 0.003298]\n", + " PeriodicSite: Li (12.75, 5.211, 11.9) [0.6276, 0.2565, 0.5858]\n", + " PeriodicSite: Li (13.0, 18.97, 4.797) [0.6402, 0.9339, 0.2361]\n", + " PeriodicSite: Li (10.94, 17.45, 13.84) [0.5384, 0.8588, 0.6812]\n", + " PeriodicSite: Li (2.055, 9.021, 0.1959) [0.1012, 0.4441, 0.009644]\n", + " PeriodicSite: Li (5.033, 7.363, 11.12) [0.2478, 0.3625, 0.5477]\n", + " PeriodicSite: Li (2.5, 15.64, 1.099) [0.1231, 0.7702, 0.05412]\n", + " PeriodicSite: Li (4.715, 17.06, 11.83) [0.2321, 0.8397, 0.5824]\n", + " PeriodicSite: Li (12.2, 9.376, 0.6956) [0.6008, 0.4616, 0.03425]\n", + " PeriodicSite: Li (12.1, 6.865, 14.63) [0.5957, 0.3379, 0.7205]\n", + " PeriodicSite: Li (12.01, 15.95, 3.494) [0.5914, 0.7852, 0.172]\n", + " PeriodicSite: Li (13.33, 15.03, 11.89) [0.6564, 0.7399, 0.5855]\n", + " PeriodicSite: Li (1.091, 6.489, 2.79) [0.05369, 0.3194, 0.1373]\n", + " PeriodicSite: Li (17.23, 5.937, 10.28) [0.8484, 0.2923, 0.506]\n", + " PeriodicSite: Li (1.043, 17.08, 4.666) [0.05132, 0.841, 0.2297]\n", + " PeriodicSite: Li (19.87, 18.42, 11.77) [0.9784, 0.9069, 0.5795]\n", + " PeriodicSite: Li (10.37, 6.353, 2.966) [0.5103, 0.3128, 0.146]\n", + " PeriodicSite: Li (14.03, 9.324, 12.92) [0.6906, 0.459, 0.6361]\n", + " PeriodicSite: Li (13.52, 17.35, 0.4728) [0.6657, 0.8541, 0.02328]\n", + " PeriodicSite: Li (7.565, 16.01, 15.62) [0.3724, 0.7881, 0.7692]\n", + " PeriodicSite: Li (4.328, 7.732, 4.366) [0.2131, 0.3806, 0.215]\n", + " PeriodicSite: Li (1.902, 8.631, 10.62) [0.09365, 0.4249, 0.5231]\n", + " PeriodicSite: Li (0.3553, 17.77, 1.455) [0.01748, 0.875, 0.07164]\n", + " PeriodicSite: Li (3.332, 0.05877, 13.29) [0.164, 0.002893, 0.6544]\n", + " PeriodicSite: Li (14.16, 9.414, 3.345) [0.6972, 0.4634, 0.1647]\n", + " PeriodicSite: Li (13.21, 7.051, 10.15) [0.6502, 0.3471, 0.4997]\n", + " PeriodicSite: Li (12.15, 20.15, 1.275) [0.5984, 0.9919, 0.06276]\n", + " PeriodicSite: Li (13.46, 16.91, 10.08) [0.6628, 0.8325, 0.496]\n", + " PeriodicSite: Li (5.084, 4.613, 2.408) [0.2503, 0.2271, 0.1186]\n", + " PeriodicSite: Li (4.724, 8.204, 13.87) [0.2326, 0.4039, 0.683]\n", + " PeriodicSite: Li (3.413, 18.49, 4.836) [0.168, 0.9104, 0.2381]\n", + " PeriodicSite: Li (2.191, 15.66, 13.19) [0.1079, 0.7712, 0.6494]\n", + " PeriodicSite: Li (12.54, 10.88, 6.009) [0.6174, 0.5358, 0.2958]\n", + " PeriodicSite: Li (14.97, 6.498, 12.08) [0.7372, 0.3199, 0.5949]\n", + " PeriodicSite: Li (14.82, 18.24, 3.285) [0.7297, 0.8982, 0.1617]\n", + " PeriodicSite: Li (15.82, 2.241, 14.89) [0.7789, 0.1103, 0.7329]\n", + " PeriodicSite: Li (10.13, 2.99, 3.675) [0.4985, 0.1472, 0.1809]\n", + " PeriodicSite: Li (8.237, 4.26, 14.34) [0.4055, 0.2097, 0.7061]\n", + " PeriodicSite: Li (6.57, 10.71, 2.98) [0.3235, 0.5271, 0.1467]\n", + " PeriodicSite: Li (3.075, 10.32, 13.78) [0.1514, 0.5078, 0.6786]\n", + " PeriodicSite: Li (16.92, 2.027, 4.909) [0.8329, 0.09978, 0.2417]\n", + " PeriodicSite: Li (13.08, 3.342, 9.965) [0.6438, 0.1645, 0.4906]\n", + " PeriodicSite: Li (18.21, 10.45, 1.347) [0.8965, 0.5142, 0.06631]\n", + " PeriodicSite: Li (17.13, 10.02, 12.83) [0.8435, 0.4931, 0.6315]\n", + " PeriodicSite: Li (6.709, 18.38, 5.062) [0.3303, 0.9047, 0.2492]\n", + " PeriodicSite: Li (5.999, 2.287, 14.63) [0.2953, 0.1126, 0.7203]\n", + " PeriodicSite: Li (7.374, 12.92, 0.2632) [0.363, 0.6359, 0.01296]\n", + " PeriodicSite: Li (9.616, 13.42, 13.05) [0.4734, 0.6607, 0.6426]\n", + " PeriodicSite: Li (15.64, 0.755, 2.863) [0.7697, 0.03716, 0.1409]\n", + " PeriodicSite: Li (19.03, 2.136, 11.05) [0.9368, 0.1052, 0.5438]\n", + " PeriodicSite: Li (17.46, 10.65, 4.225) [0.8596, 0.5244, 0.208]\n", + " PeriodicSite: Li (16.6, 14.74, 12.21) [0.817, 0.7254, 0.6009]\n", + " PeriodicSite: Li (8.196, 5.362, 6.505) [0.4035, 0.264, 0.3202]\n", + " PeriodicSite: Li (9.878, 1.864, 12.59) [0.4863, 0.09178, 0.6199]\n", + " PeriodicSite: Li (9.55, 12.98, 4.805) [0.4701, 0.639, 0.2366]\n", + " PeriodicSite: Li (7.528, 14.37, 10.11) [0.3706, 0.7076, 0.4979]\n", + " PeriodicSite: Li (20.06, 2.568, 2.623) [0.9877, 0.1264, 0.1291]\n", + " PeriodicSite: Li (19.22, 3.196, 14.63) [0.9462, 0.1573, 0.7202]\n", + " PeriodicSite: Li (16.58, 15.27, 1.974) [0.8162, 0.7518, 0.09718]\n", + " PeriodicSite: Li (15.45, 11.96, 12.87) [0.7607, 0.5889, 0.6334]\n", + " PeriodicSite: Li (2.319, 19.76, 1.23) [0.1141, 0.9728, 0.06058]\n", + " PeriodicSite: Li (6.92, 19.97, 13.66) [0.3407, 0.9831, 0.6727]\n", + " PeriodicSite: Li (5.102, 13.47, 2.032) [0.2512, 0.6631, 0.1]\n", + " PeriodicSite: Li (8.397, 7.421, 15.43) [0.4134, 0.3653, 0.7594]\n", + " PeriodicSite: Li (18.01, 4.769, 3.214) [0.8868, 0.2348, 0.1582]\n", + " PeriodicSite: Li (17.08, 0.02552, 13.65) [0.8408, 0.00125, 0.6721]\n", + " PeriodicSite: Li (16.96, 12.82, 0.436) [0.8347, 0.6312, 0.02147]\n", + " PeriodicSite: Li (20.02, 11.82, 11.8) [0.9857, 0.5817, 0.581]\n", + " PeriodicSite: Li (6.928, 3.102, 0.5059) [0.3411, 0.1527, 0.02491]\n", + " PeriodicSite: Li (5.219, 2.903, 12.09) [0.2569, 0.1429, 0.595]\n", + " PeriodicSite: Li (9.716, 11.95, 1.991) [0.4783, 0.5884, 0.09803]\n", + " PeriodicSite: Li (8.214, 10.65, 11.42) [0.4044, 0.5245, 0.5622]\n", + " PeriodicSite: Li (15.61, 3.57, 2.089) [0.7683, 0.1757, 0.1029]\n", + " PeriodicSite: Li (15.43, 2.976, 11.98) [0.7595, 0.1465, 0.59]\n", + " PeriodicSite: Li (1.038, 12.21, 19.57) [0.05111, 0.6009, 0.9632]\n", + " PeriodicSite: Li (19.38, 14.1, 12.94) [0.9542, 0.6943, 0.6369]\n", + " PeriodicSite: Li (8.297, 0.4681, 2.151) [0.4085, 0.02304, 0.1059]\n", + " PeriodicSite: Li (8.055, 1.66, 10.4) [0.3966, 0.08173, 0.5118]\n", + " PeriodicSite: Li (6.599, 12.23, 5.053) [0.3249, 0.6022, 0.2487]\n", + " PeriodicSite: Li (5.276, 13.83, 12.26) [0.2598, 0.6809, 0.6036]\n", + " PeriodicSite: Li (17.38, 3.101, 0.5132) [0.8556, 0.1527, 0.02527]\n", + " PeriodicSite: Li (0.6839, 7.359, 14.29) [0.03367, 0.3623, 0.7033]\n", + " PeriodicSite: Li (3.002, 16.03, 8.544) [0.1478, 0.7892, 0.4206]\n", + " PeriodicSite: Li (16.54, 13.15, 10.27) [0.8142, 0.6476, 0.5056]\n", + " PeriodicSite: Li (12.02, 7.628, 5.281) [0.592, 0.3755, 0.26]\n", + " PeriodicSite: Li (5.142, 8.162, 17.01) [0.2531, 0.4018, 0.8374]\n", + " PeriodicSite: Li (5.618, 16.96, 8.718) [0.2766, 0.8352, 0.4292]\n", + " PeriodicSite: Li (7.246, 15.9, 19.55) [0.3567, 0.7829, 0.9624]\n", + " PeriodicSite: Li (16.34, 9.62, 7.159) [0.8043, 0.4736, 0.3524]\n", + " PeriodicSite: Li (2.798, 5.307, 18.17) [0.1378, 0.2613, 0.8948]\n", + " PeriodicSite: Li (17.78, 18.41, 5.32) [0.8754, 0.9064, 0.2619]\n", + " PeriodicSite: Li (19.54, 17.68, 19.18) [0.962, 0.8704, 0.9442]\n", + " PeriodicSite: Li (6.811, 8.311, 5.374) [0.3353, 0.4092, 0.2646]\n", + " PeriodicSite: Li (8.884, 5.719, 17.5) [0.4374, 0.2816, 0.8615]\n", + " PeriodicSite: Li (8.404, 20.07, 7.827) [0.4137, 0.988, 0.3853]\n", + " PeriodicSite: Li (6.683, 19.23, 16.91) [0.329, 0.9468, 0.8324]\n", + " PeriodicSite: Li (19.18, 9.46, 8.491) [0.9441, 0.4657, 0.418]\n", + " PeriodicSite: Li (18.38, 7.319, 14.83) [0.9047, 0.3603, 0.7303]\n", + " PeriodicSite: Li (18.67, 19.61, 8.543) [0.9191, 0.9656, 0.4206]\n", + " PeriodicSite: Li (18.13, 15.4, 15.96) [0.8927, 0.7582, 0.7858]\n", + " PeriodicSite: Li (6.684, 6.06, 9.116) [0.3291, 0.2983, 0.4488]\n", + " PeriodicSite: Li (6.94, 6.301, 19.42) [0.3417, 0.3102, 0.9559]\n", + " PeriodicSite: Li (8.424, 18.36, 9.795) [0.4147, 0.9038, 0.4822]\n", + " PeriodicSite: Li (11.74, 13.53, 15.48) [0.5779, 0.666, 0.762]\n", + " PeriodicSite: Li (0.04695, 7.07, 7.31) [0.00231, 0.3481, 0.3599]\n", + " PeriodicSite: Li (18.59, 5.685, 17.31) [0.9153, 0.2799, 0.852]\n", + " PeriodicSite: Li (16.7, 17.51, 9.683) [0.822, 0.8622, 0.4767]\n", + " PeriodicSite: Li (17.17, 15.27, 19.18) [0.8451, 0.7516, 0.9442]\n", + " PeriodicSite: Li (9.343, 8.13, 8.719) [0.46, 0.4002, 0.4293]\n", + " PeriodicSite: Li (8.832, 8.492, 20.24) [0.4348, 0.4181, 0.9966]\n", + " PeriodicSite: Li (5.548, 19.41, 7.417) [0.2731, 0.9554, 0.3652]\n", + " PeriodicSite: Li (7.399, 14.99, 2.443) [0.3643, 0.7378, 0.1203]\n", + " PeriodicSite: Li (15.48, 7.084, 8.235) [0.7623, 0.3487, 0.4054]\n", + " PeriodicSite: Li (19.52, 8.898, 18.62) [0.9611, 0.438, 0.9167]\n", + " PeriodicSite: Li (15.6, 18.31, 6.933) [0.7682, 0.9015, 0.3413]\n", + " PeriodicSite: Li (15.65, 17.83, 16.18) [0.7706, 0.8776, 0.7966]\n", + " PeriodicSite: Li (6.952, 4.928, 11.62) [0.3423, 0.2426, 0.5723]\n", + " PeriodicSite: Li (7.623, 10.5, 17.7) [0.3753, 0.5167, 0.8712]\n", + " PeriodicSite: Li (10.17, 17.51, 7.009) [0.5005, 0.862, 0.3451]\n", + " PeriodicSite: Li (10.36, 18.42, 2.455) [0.51, 0.9068, 0.1209]\n", + " PeriodicSite: Li (17.05, 7.819, 5.229) [0.8395, 0.3849, 0.2574]\n", + " PeriodicSite: Li (14.69, 3.145, 18.67) [0.7234, 0.1548, 0.9192]\n", + " PeriodicSite: Li (19.23, 15.94, 7.11) [0.9465, 0.7845, 0.3501]\n", + " PeriodicSite: Li (18.13, 0.233, 1.32) [0.8925, 0.01146, 0.06497]\n", + " PeriodicSite: Li (3.207, 10.27, 3.003) [0.1579, 0.5058, 0.1478]\n", + " PeriodicSite: Li (10.41, 8.054, 17.52) [0.5123, 0.3965, 0.8624]\n", + " PeriodicSite: Li (7.845, 15.9, 6.806) [0.3862, 0.7827, 0.3351]\n", + " PeriodicSite: Li (9.016, 18.02, 20.04) [0.4439, 0.887, 0.9864]\n", + " PeriodicSite: Li (18.25, 5.373, 6.624) [0.8984, 0.2645, 0.3261]\n", + " PeriodicSite: Li (16.95, 12.05, 14.97) [0.8347, 0.5931, 0.7371]\n", + " PeriodicSite: Li (18.55, 13.36, 4.66) [0.9132, 0.6576, 0.2294]\n", + " PeriodicSite: Li (13.6, 0.2822, 13.66) [0.6694, 0.01389, 0.6723]\n", + " PeriodicSite: Cl (7.087, 12.63, 12.96) [0.3489, 0.6218, 0.6383]\n", + " PeriodicSite: Cl (2.502, 12.74, 17.6) [0.1232, 0.6272, 0.8663]\n", + " PeriodicSite: Cl (12.78, 17.54, 12.5) [0.629, 0.8635, 0.6154]\n", + " PeriodicSite: Cl (17.68, 7.625, 17.52) [0.8702, 0.3754, 0.8626]\n", + " PeriodicSite: Cl (7.353, 2.572, 2.922) [0.362, 0.1266, 0.1439]\n", + " PeriodicSite: Cl (7.401, 7.538, 7.381) [0.3644, 0.3711, 0.3634]\n", + " PeriodicSite: Cl (12.74, 12.61, 7.544) [0.6274, 0.6206, 0.3714]\n", + " PeriodicSite: Cl (2.97, 7.865, 2.177) [0.1462, 0.3872, 0.1072]\n", + " PeriodicSite: Cl (2.75, 7.875, 12.63) [0.1354, 0.3877, 0.6218]\n", + " PeriodicSite: Cl (12.74, 12.69, 17.61) [0.6272, 0.6246, 0.8669]\n", + " PeriodicSite: Cl (17.65, 17.22, 17.72) [0.8691, 0.8479, 0.8726]\n", + " PeriodicSite: Cl (2.423, 2.602, 7.236) [0.1193, 0.1281, 0.3562]\n", + " PeriodicSite: Cl (12.26, 2.449, 18.43) [0.6035, 0.1205, 0.9072]\n", + " PeriodicSite: Cl (12.58, 7.813, 2.894) [0.6191, 0.3846, 0.1425]\n", + " PeriodicSite: Cl (17.41, 2.257, 12.77) [0.8571, 0.1111, 0.6288]\n", + " PeriodicSite: Cl (7.815, 17.35, 17.72) [0.3847, 0.854, 0.8722]\n", + " PeriodicSite: Cl (0.1158, 19.66, 20.08) [0.005697, 0.9678, 0.9884]\n", + " PeriodicSite: Cl (20.11, 20.17, 10.51) [0.9902, 0.9928, 0.5173]\n", + " PeriodicSite: Cl (0.08647, 10.17, 0.201) [0.004252, 0.5009, 0.009896]\n", + " PeriodicSite: Cl (0.3788, 10.59, 9.87) [0.01865, 0.5213, 0.4859]\n", + " PeriodicSite: Cl (9.679, 19.97, 0.5294) [0.4765, 0.9832, 0.02607]\n", + " PeriodicSite: Cl (10.18, 0.2088, 9.825) [0.501, 0.01028, 0.4837]\n", + " PeriodicSite: Cl (10.17, 10.65, 0.08736) [0.5005, 0.5242, 0.004304]\n", + " PeriodicSite: Cl (10.04, 9.97, 10.32) [0.4942, 0.4908, 0.508]\n", + " PeriodicSite: Cl (20.23, 5.414, 4.851) [0.9961, 0.2665, 0.2388]\n", + " PeriodicSite: Cl (19.92, 5.611, 15.27) [0.9805, 0.2763, 0.7517]\n", + " PeriodicSite: Cl (20.29, 14.77, 5.514) [0.9987, 0.7272, 0.2715]\n", + " PeriodicSite: Cl (20.18, 15.33, 14.79) [0.9936, 0.7545, 0.728]\n", + " PeriodicSite: Cl (10.31, 5.426, 5.179) [0.5077, 0.2671, 0.255]\n", + " PeriodicSite: Cl (10.18, 5.198, 15.38) [0.5014, 0.2559, 0.757]\n", + " PeriodicSite: Cl (10.27, 15.35, 5.207) [0.5055, 0.7557, 0.2564]\n", + " PeriodicSite: Cl (10.36, 15.29, 15.23) [0.5102, 0.7528, 0.7499]\n", + " PeriodicSite: S (5.199, 0.01216, 5.252) [0.2559, 0.0005967, 0.2586]\n", + " PeriodicSite: S (5.26, 0.2293, 15.21) [0.259, 0.01129, 0.7489]\n", + " PeriodicSite: S (5.018, 10.28, 5.091) [0.247, 0.5059, 0.2507]\n", + " PeriodicSite: S (4.752, 10.04, 15.33) [0.234, 0.4942, 0.7546]\n", + " PeriodicSite: S (15.17, 0.03593, 5.005) [0.7468, 0.001762, 0.2464]\n", + " PeriodicSite: S (15.4, 19.95, 15.0) [0.7581, 0.9819, 0.7384]\n", + " PeriodicSite: S (15.57, 10.07, 5.159) [0.7663, 0.4959, 0.254]\n", + " PeriodicSite: S (15.46, 10.21, 14.66) [0.7609, 0.5028, 0.722]\n", + " PeriodicSite: S (5.104, 5.011, 20.18) [0.2513, 0.2467, 0.9933]\n", + " PeriodicSite: S (4.86, 5.325, 10.46) [0.2392, 0.2621, 0.5149]\n", + " PeriodicSite: S (5.119, 15.3, 0.2316) [0.252, 0.7533, 0.01141]\n", + " PeriodicSite: S (4.637, 15.31, 10.07) [0.2283, 0.7539, 0.496]\n", + " PeriodicSite: S (15.2, 4.674, 0.1677) [0.7482, 0.2301, 0.008261]\n", + " PeriodicSite: S (14.86, 5.052, 10.14) [0.7317, 0.2487, 0.4993]\n", + " PeriodicSite: S (15.13, 15.15, 20.31) [0.7447, 0.7456, 0.9997]\n", + " PeriodicSite: S (15.14, 15.17, 10.33) [0.7455, 0.7468, 0.5087]\n", + " PeriodicSite: S (8.53, 3.74, 8.743) [0.4199, 0.1841, 0.4304]\n", + " PeriodicSite: S (8.557, 3.971, 19.34) [0.4213, 0.1955, 0.9521]\n", + " PeriodicSite: S (9.324, 13.77, 8.346) [0.459, 0.6781, 0.4109]\n", + " PeriodicSite: S (9.02, 14.02, 19.29) [0.444, 0.6902, 0.9499]\n", + " PeriodicSite: S (19.44, 3.584, 8.939) [0.9568, 0.1764, 0.4401]\n", + " PeriodicSite: S (19.17, 3.858, 19.17) [0.9436, 0.1899, 0.9439]\n", + " PeriodicSite: S (18.7, 14.34, 8.981) [0.9208, 0.706, 0.4422]\n", + " PeriodicSite: S (19.05, 13.7, 19.18) [0.9381, 0.6744, 0.9445]\n", + " PeriodicSite: S (4.29, 1.253, 1.346) [0.2112, 0.06168, 0.06627]\n", + " PeriodicSite: S (3.912, 1.04, 11.07) [0.1926, 0.05121, 0.5451]\n", + " PeriodicSite: S (3.638, 11.44, 0.7339) [0.1791, 0.5631, 0.03613]\n", + " PeriodicSite: S (3.627, 11.39, 11.42) [0.1786, 0.5609, 0.5621]\n", + " PeriodicSite: S (13.8, 1.463, 1.342) [0.6794, 0.07202, 0.06608]\n", + " PeriodicSite: S (13.96, 1.27, 11.27) [0.6875, 0.0625, 0.5549]\n", + " PeriodicSite: S (14.01, 10.89, 1.217) [0.6899, 0.5362, 0.05994]\n", + " PeriodicSite: S (14.13, 11.18, 11.19) [0.6958, 0.5505, 0.5508]\n", + " PeriodicSite: S (6.575, 1.087, 8.806) [0.3237, 0.05351, 0.4335]\n", + " PeriodicSite: S (6.31, 1.25, 19.01) [0.3107, 0.06153, 0.9359]\n", + " PeriodicSite: S (6.365, 11.46, 9.032) [0.3134, 0.5642, 0.4447]\n", + " PeriodicSite: S (5.791, 11.75, 18.57) [0.2851, 0.5787, 0.9141]\n", + " PeriodicSite: S (16.88, 1.105, 9.306) [0.8309, 0.05438, 0.4581]\n", + " PeriodicSite: S (16.18, 1.247, 18.98) [0.7966, 0.06137, 0.9345]\n", + " PeriodicSite: S (16.43, 11.28, 9.094) [0.8089, 0.5551, 0.4477]\n", + " PeriodicSite: S (16.72, 10.81, 19.33) [0.8232, 0.5324, 0.9517]\n", + " PeriodicSite: S (1.258, 4.142, 1.481) [0.06194, 0.2039, 0.07289]\n", + " PeriodicSite: S (1.352, 3.698, 11.46) [0.06655, 0.1821, 0.5643]\n", + " PeriodicSite: S (0.8404, 13.71, 1.443) [0.04137, 0.6748, 0.07104]\n", + " PeriodicSite: S (0.7543, 14.17, 11.37) [0.03713, 0.6977, 0.5599]\n", + " PeriodicSite: S (11.31, 4.534, 1.459) [0.5568, 0.2232, 0.07185]\n", + " PeriodicSite: S (10.87, 3.817, 11.25) [0.5353, 0.1879, 0.5537]\n", + " PeriodicSite: S (11.36, 13.72, 1.385) [0.5591, 0.6756, 0.06819]\n", + " PeriodicSite: S (11.35, 13.62, 11.03) [0.5586, 0.6706, 0.543]\n", + " PeriodicSite: S (2.719, 2.723, 17.99) [0.1339, 0.1341, 0.8859]\n", + " PeriodicSite: S (2.555, 12.83, 7.765) [0.1258, 0.6319, 0.3823]\n", + " PeriodicSite: S (12.92, 2.38, 7.454) [0.6359, 0.1172, 0.367]\n", + " PeriodicSite: S (8.576, 9.091, 3.815) [0.4222, 0.4476, 0.1878]\n", + " PeriodicSite: S (9.027, 9.591, 13.87) [0.4444, 0.4722, 0.6828]\n", + " PeriodicSite: S (8.799, 19.19, 4.128) [0.4332, 0.9449, 0.2032]\n", + " PeriodicSite: S (9.366, 19.52, 13.59) [0.4611, 0.9611, 0.669]\n", + " PeriodicSite: S (19.43, 9.462, 3.829) [0.9566, 0.4658, 0.1885]\n", + " PeriodicSite: S (19.34, 9.178, 13.69) [0.9523, 0.4519, 0.6739]\n", + " PeriodicSite: S (19.29, 18.85, 3.632) [0.9497, 0.928, 0.1788]\n", + " PeriodicSite: S (19.32, 19.23, 14.27) [0.9513, 0.9466, 0.7024]\n", + " PeriodicSite: S (3.387, 6.147, 5.904) [0.1667, 0.3026, 0.2907]\n", + " PeriodicSite: S (4.079, 6.424, 16.18) [0.2008, 0.3163, 0.7965]\n", + " PeriodicSite: S (4.024, 16.71, 6.49) [0.1981, 0.8225, 0.3195]\n", + " PeriodicSite: S (3.497, 16.38, 16.56) [0.1721, 0.8064, 0.8153]\n", + " PeriodicSite: S (14.0, 6.445, 6.303) [0.6895, 0.3173, 0.3103]\n", + " PeriodicSite: S (13.74, 6.081, 16.31) [0.6763, 0.2994, 0.8031]\n", + " PeriodicSite: S (13.93, 16.69, 6.148) [0.6859, 0.8217, 0.3027]\n", + " PeriodicSite: S (13.91, 16.13, 16.39) [0.6846, 0.794, 0.8069]\n", + " PeriodicSite: S (5.904, 6.055, 4.05) [0.2907, 0.2981, 0.1994]\n", + " PeriodicSite: S (6.589, 6.704, 14.07) [0.3244, 0.33, 0.6925]\n", + " PeriodicSite: S (5.983, 16.53, 3.836) [0.2945, 0.8137, 0.1888]\n", + " PeriodicSite: S (6.012, 16.53, 14.04) [0.296, 0.8137, 0.6913]\n", + " PeriodicSite: S (16.06, 6.258, 3.703) [0.7906, 0.3081, 0.1823]\n", + " PeriodicSite: S (16.22, 6.67, 14.05) [0.7983, 0.3284, 0.6917]\n", + " PeriodicSite: S (16.09, 16.45, 3.847) [0.7921, 0.8099, 0.1894]\n", + " PeriodicSite: S (16.37, 16.25, 14.09) [0.8057, 0.8001, 0.6935]\n", + " PeriodicSite: S (1.486, 9.24, 6.42) [0.07314, 0.4549, 0.3161]\n", + " PeriodicSite: S (0.7166, 9.429, 16.45) [0.03528, 0.4642, 0.8101]\n", + " PeriodicSite: S (1.407, 19.16, 6.113) [0.06928, 0.9434, 0.3009]\n", + " PeriodicSite: S (1.529, 19.2, 16.42) [0.07526, 0.9452, 0.8083]\n", + " PeriodicSite: S (10.81, 9.034, 6.592) [0.5324, 0.4447, 0.3245]\n", + " PeriodicSite: S (11.76, 8.831, 15.72) [0.579, 0.4347, 0.7739]\n", + " PeriodicSite: S (11.27, 19.56, 6.336) [0.5549, 0.9629, 0.3119]\n", + " PeriodicSite: S (11.66, 19.04, 15.93) [0.5739, 0.9373, 0.7841]\n", + " PeriodicSite: S (2.494, 17.56, 2.672) [0.1228, 0.8646, 0.1316]\n", + " PeriodicSite: S (2.447, 18.22, 12.74) [0.1205, 0.8969, 0.6273]\n", + " PeriodicSite: S (12.91, 7.436, 12.41) [0.6356, 0.3661, 0.6109]\n", + " PeriodicSite: S (12.62, 18.28, 2.727) [0.6214, 0.9001, 0.1342]\n", + " PeriodicSite: S (3.983, 3.456, 4.03) [0.1961, 0.1701, 0.1984]\n", + " PeriodicSite: S (3.949, 3.932, 14.02) [0.1944, 0.1936, 0.6904]\n", + " PeriodicSite: S (3.665, 14.11, 4.297) [0.1804, 0.6949, 0.2115]\n", + " PeriodicSite: S (3.696, 14.2, 14.3) [0.182, 0.6993, 0.7039]\n", + " PeriodicSite: S (13.89, 3.919, 3.819) [0.6837, 0.1929, 0.188]\n", + " PeriodicSite: S (14.03, 4.081, 13.8) [0.6905, 0.2009, 0.6796]\n", + " PeriodicSite: S (13.52, 13.99, 4.245) [0.6654, 0.6888, 0.209]\n", + " PeriodicSite: S (13.84, 13.99, 13.93) [0.6815, 0.6887, 0.6857]\n", + " PeriodicSite: S (9.093, 1.853, 6.028) [0.4477, 0.09123, 0.2968]\n", + " PeriodicSite: S (9.065, 0.7919, 16.68) [0.4463, 0.03898, 0.8211]\n", + " PeriodicSite: S (8.361, 11.32, 6.463) [0.4116, 0.5571, 0.3182]\n", + " PeriodicSite: S (9.479, 11.63, 16.71) [0.4667, 0.5724, 0.8228]\n", + " PeriodicSite: S (19.23, 1.063, 6.055) [0.9466, 0.0523, 0.2981]\n", + " PeriodicSite: S (19.36, 1.306, 16.67) [0.9533, 0.06427, 0.8208]\n", + " PeriodicSite: S (19.09, 11.25, 6.564) [0.9398, 0.5537, 0.3232]\n", + " PeriodicSite: S (18.84, 11.71, 16.23) [0.9278, 0.5767, 0.7991]\n", + " PeriodicSite: S (1.374, 1.118, 3.624) [0.06764, 0.05503, 0.1784]\n", + " PeriodicSite: S (1.237, 1.696, 14.22) [0.06091, 0.08349, 0.7]\n", + " PeriodicSite: S (1.211, 11.79, 4.188) [0.0596, 0.5805, 0.2062]\n", + " PeriodicSite: S (1.005, 11.66, 13.96) [0.04947, 0.5742, 0.6871]\n", + " PeriodicSite: S (11.33, 0.9976, 3.676) [0.558, 0.04911, 0.181]\n", + " PeriodicSite: S (11.64, 1.601, 14.57) [0.573, 0.07884, 0.7172]\n", + " PeriodicSite: S (11.15, 11.28, 4.113) [0.5491, 0.5555, 0.2025]\n", + " PeriodicSite: S (11.32, 11.76, 14.01) [0.5572, 0.5791, 0.6896]\n", + " PeriodicSite: S (5.982, 3.862, 6.626) [0.2945, 0.1901, 0.3262]\n", + " PeriodicSite: S (6.598, 4.062, 16.27) [0.3248, 0.2, 0.8008]\n", + " PeriodicSite: S (6.378, 14.26, 6.357) [0.314, 0.7018, 0.313]\n", + " PeriodicSite: S (6.211, 14.42, 16.53) [0.3058, 0.7098, 0.8136]\n", + " PeriodicSite: S (16.44, 4.117, 6.102) [0.8093, 0.2027, 0.3004]\n", + " PeriodicSite: S (16.41, 4.052, 16.21) [0.8077, 0.1995, 0.798]\n", + " PeriodicSite: S (16.39, 14.09, 6.069) [0.8068, 0.6936, 0.2988]\n", + " PeriodicSite: S (16.22, 13.69, 16.42) [0.7987, 0.6742, 0.8084]\n", + " PeriodicSite: S (7.44, 2.729, 12.63) [0.3663, 0.1343, 0.6216]\n", + " PeriodicSite: S (7.359, 12.84, 2.864) [0.3623, 0.6322, 0.141]\n", + " PeriodicSite: S (17.5, 2.44, 2.625) [0.8617, 0.1201, 0.1293]\n", + " PeriodicSite: S (17.7, 12.33, 2.585) [0.8716, 0.6072, 0.1272]\n", + " PeriodicSite: S (17.66, 12.65, 12.59) [0.8693, 0.6229, 0.6198]\n", + " PeriodicSite: S (3.9, 9.107, 9.042) [0.192, 0.4483, 0.4451]\n", + " PeriodicSite: S (3.929, 8.886, 18.96) [0.1934, 0.4375, 0.9337]\n", + " PeriodicSite: S (4.09, 18.8, 9.161) [0.2014, 0.9254, 0.451]\n", + " PeriodicSite: S (3.805, 19.26, 19.14) [0.1873, 0.948, 0.9422]\n", + " PeriodicSite: S (13.79, 8.986, 8.754) [0.6787, 0.4424, 0.431]\n", + " PeriodicSite: S (14.22, 8.604, 19.22) [0.7003, 0.4236, 0.9461]\n", + " PeriodicSite: S (14.47, 19.14, 8.964) [0.7124, 0.9424, 0.4413]\n", + " PeriodicSite: S (13.71, 19.32, 19.07) [0.6747, 0.9511, 0.9389]\n", + " PeriodicSite: S (8.624, 6.577, 1.283) [0.4246, 0.3238, 0.06319]\n", + " PeriodicSite: S (8.68, 6.622, 10.6) [0.4273, 0.326, 0.5217]\n", + " PeriodicSite: S (9.057, 16.3, 1.428) [0.4459, 0.8026, 0.07028]\n", + " PeriodicSite: S (8.971, 15.83, 11.07) [0.4416, 0.7792, 0.5452]\n", + " PeriodicSite: S (19.06, 6.317, 1.418) [0.9384, 0.311, 0.06981]\n", + " PeriodicSite: S (18.89, 5.351, 11.69) [0.9301, 0.2634, 0.5756]\n", + " PeriodicSite: S (18.7, 16.15, 1.035) [0.9209, 0.7949, 0.05095]\n", + " PeriodicSite: S (18.84, 16.41, 11.53) [0.9275, 0.8077, 0.5675]\n", + " PeriodicSite: S (1.081, 6.486, 9.425) [0.05323, 0.3193, 0.464]\n", + " PeriodicSite: S (1.184, 6.453, 19.46) [0.05829, 0.3177, 0.9579]\n", + " PeriodicSite: S (0.901, 16.72, 9.278) [0.04435, 0.8233, 0.4567]\n", + " PeriodicSite: S (1.163, 16.05, 19.57) [0.05727, 0.7902, 0.9636]\n", + " PeriodicSite: S (11.36, 5.882, 8.746) [0.5595, 0.2896, 0.4306]\n", + " PeriodicSite: S (10.9, 6.426, 19.17) [0.5364, 0.3163, 0.9437]\n", + " PeriodicSite: S (11.2, 16.43, 8.837) [0.5512, 0.8089, 0.4351]\n", + " PeriodicSite: S (11.51, 16.28, 19.24) [0.5665, 0.8016, 0.9471]\n", + " PeriodicSite: S (6.468, 9.363, 0.8091) [0.3184, 0.4609, 0.03983]\n", + " PeriodicSite: S (6.22, 9.297, 11.68) [0.3062, 0.4577, 0.5752]\n", + " PeriodicSite: S (6.46, 18.99, 0.9439) [0.318, 0.9347, 0.04647]\n", + " PeriodicSite: S (6.504, 19.17, 11.39) [0.3202, 0.9439, 0.5606]\n", + " PeriodicSite: S (16.35, 8.562, 1.59) [0.805, 0.4215, 0.07829]\n", + " PeriodicSite: S (16.35, 8.431, 10.94) [0.805, 0.4151, 0.5387]\n", + " PeriodicSite: S (15.98, 19.46, 1.187) [0.7867, 0.9582, 0.05846]\n", + " PeriodicSite: S (16.47, 19.2, 11.65) [0.8106, 0.9451, 0.5734]\n", + " PeriodicSite: S (8.059, 7.752, 17.92) [0.3968, 0.3816, 0.8822]\n", + " PeriodicSite: S (7.692, 17.91, 7.673) [0.3787, 0.8815, 0.3777]\n", + " PeriodicSite: S (17.92, 7.657, 7.342) [0.882, 0.3769, 0.3614]\n", + " PeriodicSite: S (17.69, 17.7, 7.834) [0.8708, 0.8712, 0.3857]\n", + " PeriodicSite: P (5.226, 20.31, 20.28) [0.2573, 0.9999, 0.9983]\n", + " PeriodicSite: P (5.309, 20.25, 10.03) [0.2614, 0.9971, 0.4939]\n", + " PeriodicSite: P (5.052, 10.39, 19.97) [0.2487, 0.5115, 0.9833]\n", + " PeriodicSite: P (5.028, 10.37, 10.36) [0.2476, 0.5107, 0.5099]\n", + " PeriodicSite: P (14.76, 0.3002, 20.26) [0.7266, 0.01477, 0.9974]\n", + " PeriodicSite: P (15.48, 20.29, 10.36) [0.7623, 0.9989, 0.5101]\n", + " PeriodicSite: P (15.37, 9.776, 0.1781) [0.7566, 0.4813, 0.008775]\n", + " PeriodicSite: P (15.21, 9.876, 9.973) [0.7488, 0.4862, 0.491]\n", + " PeriodicSite: P (4.799, 4.932, 5.333) [0.2363, 0.2428, 0.2625]\n", + " PeriodicSite: P (5.32, 5.226, 15.1) [0.2619, 0.2573, 0.7435]\n", + " PeriodicSite: P (4.955, 15.36, 5.231) [0.2439, 0.7563, 0.2575]\n", + " PeriodicSite: P (4.813, 15.41, 15.4) [0.2369, 0.7589, 0.7582]\n", + " PeriodicSite: P (15.02, 5.158, 4.964) [0.7393, 0.2539, 0.2444]\n", + " PeriodicSite: P (15.17, 5.288, 15.09) [0.7468, 0.2603, 0.7431]\n", + " PeriodicSite: P (14.97, 15.25, 5.156) [0.7369, 0.7509, 0.2538]\n", + " PeriodicSite: P (15.17, 14.9, 15.16) [0.7468, 0.7334, 0.7465]\n", + " PeriodicSite: P (0.1951, 0.017, 4.841) [0.009608, 0.0008375, 0.2383]\n", + " PeriodicSite: P (0.1953, 0.2244, 15.36) [0.009617, 0.01105, 0.7562]\n", + " PeriodicSite: P (0.1836, 10.34, 5.301) [0.009034, 0.5088, 0.261]\n", + " PeriodicSite: P (20.04, 10.5, 15.09) [0.9866, 0.5169, 0.7429]\n", + " PeriodicSite: P (10.08, 0.2697, 5.104) [0.4963, 0.01327, 0.2513]\n", + " PeriodicSite: P (10.32, 0.1472, 15.26) [0.5081, 0.007244, 0.7512]\n", + " PeriodicSite: P (9.713, 10.12, 5.205) [0.4782, 0.4982, 0.2562]\n", + " PeriodicSite: P (10.36, 10.48, 15.19) [0.5099, 0.5162, 0.7479]\n", + " PeriodicSite: P (20.26, 5.116, 0.2794) [0.9974, 0.2519, 0.01376]\n", + " PeriodicSite: P (0.1061, 4.884, 10.51) [0.005225, 0.2404, 0.5172]\n", + " PeriodicSite: P (20.02, 14.85, 0.1035) [0.9854, 0.7309, 0.005104]\n", + " PeriodicSite: P (19.88, 15.46, 10.14) [0.9789, 0.7612, 0.4994]\n", + " PeriodicSite: P (9.759, 5.349, 0.1162) [0.4804, 0.2634, 0.005724]\n", + " PeriodicSite: P (9.779, 4.982, 9.765) [0.4815, 0.2452, 0.4807]\n", + " PeriodicSite: P (10.36, 15.14, 0.2216) [0.51, 0.7452, 0.01091]\n", + " PeriodicSite: P (10.22, 14.88, 9.762) [0.5032, 0.7324, 0.4806],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.944, 4.064, 5.891) [0.09572, 0.2001, 0.29]\n", + " PeriodicSite: Li (0.5943, 2.708, 17.86) [0.02926, 0.1333, 0.8791]\n", + " PeriodicSite: Li (3.076, 13.71, 10.11) [0.1514, 0.675, 0.4979]\n", + " PeriodicSite: Li (1.914, 14.76, 16.81) [0.09424, 0.7268, 0.8275]\n", + " PeriodicSite: Li (14.97, 1.031, 7.141) [0.7371, 0.05074, 0.3516]\n", + " PeriodicSite: Li (11.93, 3.503, 15.72) [0.5874, 0.1724, 0.7737]\n", + " PeriodicSite: Li (15.26, 11.99, 3.141) [0.751, 0.5902, 0.1546]\n", + " PeriodicSite: Li (17.26, 10.37, 17.19) [0.8496, 0.5108, 0.8462]\n", + " PeriodicSite: Li (2.936, 3.624, 9.255) [0.1446, 0.1784, 0.4556]\n", + " PeriodicSite: Li (4.2, 0.7191, 17.28) [0.2068, 0.0354, 0.8508]\n", + " PeriodicSite: Li (5.623, 9.79, 7.534) [0.2768, 0.482, 0.3709]\n", + " PeriodicSite: Li (6.729, 10.78, 13.82) [0.3313, 0.5309, 0.6803]\n", + " PeriodicSite: Li (11.85, 4.876, 6.682) [0.5834, 0.2401, 0.329]\n", + " PeriodicSite: Li (14.05, 6.383, 18.53) [0.6918, 0.3142, 0.9124]\n", + " PeriodicSite: Li (10.9, 9.428, 11.95) [0.5364, 0.4641, 0.5884]\n", + " PeriodicSite: Li (10.44, 16.74, 17.28) [0.514, 0.824, 0.8509]\n", + " PeriodicSite: Li (3.304, 0.8233, 5.764) [0.1627, 0.04053, 0.2838]\n", + " PeriodicSite: Li (2.522, 2.679, 15.45) [0.1242, 0.1319, 0.7607]\n", + " PeriodicSite: Li (3.649, 11.99, 5.859) [0.1796, 0.5905, 0.2884]\n", + " PeriodicSite: Li (4.855, 12.28, 16.36) [0.239, 0.6045, 0.8055]\n", + " PeriodicSite: Li (12.41, 0.5902, 9.714) [0.611, 0.02905, 0.4782]\n", + " PeriodicSite: Li (10.16, 1.879, 18.35) [0.5004, 0.09248, 0.9033]\n", + " PeriodicSite: Li (13.66, 13.34, 9.558) [0.6723, 0.6569, 0.4706]\n", + " PeriodicSite: Li (10.39, 12.08, 18.18) [0.5113, 0.5946, 0.895]\n", + " PeriodicSite: Li (0.1155, 1.674, 8.014) [0.00569, 0.08243, 0.3945]\n", + " PeriodicSite: Li (3.345, 3.148, 0.2954) [0.1647, 0.155, 0.01454]\n", + " PeriodicSite: Li (0.4492, 12.61, 8.751) [0.02211, 0.621, 0.4308]\n", + " PeriodicSite: Li (4.132, 13.42, 19.54) [0.2034, 0.6608, 0.962]\n", + " PeriodicSite: Li (13.0, 1.967, 5.343) [0.6399, 0.09681, 0.263]\n", + " PeriodicSite: Li (13.3, 0.009841, 17.13) [0.6549, 0.0004797, 0.8432]\n", + " PeriodicSite: Li (10.3, 11.41, 8.075) [0.5069, 0.5617, 0.3975]\n", + " PeriodicSite: Li (14.18, 14.45, 17.88) [0.698, 0.7113, 0.8801]\n", + " PeriodicSite: Li (6.226, 1.686, 5.204) [0.3065, 0.08302, 0.2562]\n", + " PeriodicSite: Li (1.745, 0.1512, 18.83) [0.08593, 0.007444, 0.927]\n", + " PeriodicSite: Li (5.225, 13.54, 8.383) [0.2572, 0.6666, 0.4127]\n", + " PeriodicSite: Li (1.429, 17.58, 15.06) [0.07033, 0.8657, 0.7415]\n", + " PeriodicSite: Li (14.88, 3.706, 8.219) [0.7327, 0.1824, 0.4047]\n", + " PeriodicSite: Li (12.92, 3.238, 20.21) [0.6358, 0.1594, 0.9949]\n", + " PeriodicSite: Li (16.2, 15.6, 7.675) [0.7973, 0.7678, 0.3779]\n", + " PeriodicSite: Li (13.12, 13.61, 0.6019) [0.6458, 0.6701, 0.02964]\n", + " PeriodicSite: Li (5.796, 20.02, 2.821) [0.2854, 0.9858, 0.1389]\n", + " PeriodicSite: Li (5.043, 3.22, 18.59) [0.2483, 0.1585, 0.9152]\n", + " PeriodicSite: Li (1.791, 14.07, 5.898) [0.08818, 0.6928, 0.2904]\n", + " PeriodicSite: Li (0.05165, 11.97, 2.271) [0.002538, 0.5892, 0.1118]\n", + " PeriodicSite: Li (10.79, 2.111, 7.676) [0.5313, 0.1039, 0.3779]\n", + " PeriodicSite: Li (17.21, 0.5213, 16.65) [0.8473, 0.02566, 0.8197]\n", + " PeriodicSite: Li (15.26, 12.31, 6.625) [0.7513, 0.6059, 0.3261]\n", + " PeriodicSite: Li (13.3, 11.3, 15.85) [0.6548, 0.5565, 0.7801]\n", + " PeriodicSite: Li (2.984, 10.5, 16.74) [0.1469, 0.5168, 0.8241]\n", + " PeriodicSite: Li (2.411, 10.55, 8.426) [0.1187, 0.5195, 0.4148]\n", + " PeriodicSite: Li (4.406, 16.49, 18.8) [0.2169, 0.812, 0.9255]\n", + " PeriodicSite: Li (2.216, 19.78, 10.17) [0.1091, 0.9739, 0.5008]\n", + " PeriodicSite: Li (14.0, 6.0, 1.925) [0.6891, 0.2954, 0.09476]\n", + " PeriodicSite: Li (14.66, 8.752, 16.28) [0.7218, 0.4309, 0.8014]\n", + " PeriodicSite: Li (11.9, 14.7, 6.878) [0.5858, 0.7235, 0.3386]\n", + " PeriodicSite: Li (14.7, 18.2, 13.98) [0.7239, 0.8959, 0.6884]\n", + " PeriodicSite: Li (4.132, 7.115, 0.4919) [0.2034, 0.3503, 0.02422]\n", + " PeriodicSite: Li (3.084, 5.248, 12.1) [0.1518, 0.2584, 0.5956]\n", + " PeriodicSite: Li (4.88, 16.97, 1.792) [0.2403, 0.8355, 0.08824]\n", + " PeriodicSite: Li (4.328, 18.23, 14.63) [0.2131, 0.8974, 0.7204]\n", + " PeriodicSite: Li (16.83, 6.874, 20.12) [0.8287, 0.3384, 0.9907]\n", + " PeriodicSite: Li (12.83, 5.272, 12.53) [0.6315, 0.2595, 0.617]\n", + " PeriodicSite: Li (13.01, 18.31, 4.948) [0.6404, 0.9013, 0.2436]\n", + " PeriodicSite: Li (10.74, 17.75, 14.25) [0.5285, 0.8741, 0.7017]\n", + " PeriodicSite: Li (2.078, 9.262, 0.8213) [0.1023, 0.456, 0.04044]\n", + " PeriodicSite: Li (5.133, 7.325, 10.37) [0.2527, 0.3606, 0.5107]\n", + " PeriodicSite: Li (2.483, 15.48, 1.772) [0.1222, 0.762, 0.08723]\n", + " PeriodicSite: Li (4.745, 17.31, 12.03) [0.2336, 0.8523, 0.5924]\n", + " PeriodicSite: Li (11.99, 9.47, 0.6863) [0.5901, 0.4662, 0.03379]\n", + " PeriodicSite: Li (12.1, 7.514, 14.85) [0.5955, 0.3699, 0.731]\n", + " PeriodicSite: Li (12.24, 15.33, 3.303) [0.6024, 0.7546, 0.1626]\n", + " PeriodicSite: Li (13.27, 15.11, 12.09) [0.6535, 0.7441, 0.5954]\n", + " PeriodicSite: Li (0.07218, 6.549, 3.064) [0.003551, 0.3224, 0.1508]\n", + " PeriodicSite: Li (17.62, 6.1, 9.62) [0.8677, 0.3003, 0.4736]\n", + " PeriodicSite: Li (0.7077, 17.52, 4.462) [0.03483, 0.8626, 0.2197]\n", + " PeriodicSite: Li (0.4006, 18.81, 12.32) [0.01972, 0.9262, 0.6064]\n", + " PeriodicSite: Li (10.31, 6.822, 3.106) [0.5076, 0.3358, 0.1529]\n", + " PeriodicSite: Li (14.19, 9.428, 13.01) [0.6987, 0.4641, 0.6406]\n", + " PeriodicSite: Li (14.14, 16.87, 0.5106) [0.6961, 0.8308, 0.02514]\n", + " PeriodicSite: Li (7.381, 15.88, 15.85) [0.3634, 0.7819, 0.7805]\n", + " PeriodicSite: Li (3.632, 8.036, 5.033) [0.1788, 0.3956, 0.2478]\n", + " PeriodicSite: Li (0.7892, 8.078, 10.93) [0.03885, 0.3977, 0.538]\n", + " PeriodicSite: Li (0.4674, 17.71, 1.517) [0.023, 0.8719, 0.07469]\n", + " PeriodicSite: Li (2.971, 0.1668, 13.73) [0.1463, 0.008213, 0.6758]\n", + " PeriodicSite: Li (14.4, 9.141, 3.026) [0.7087, 0.45, 0.149]\n", + " PeriodicSite: Li (12.99, 7.424, 10.2) [0.6394, 0.3655, 0.5023]\n", + " PeriodicSite: Li (12.32, 20.03, 1.774) [0.6064, 0.9863, 0.08736]\n", + " PeriodicSite: Li (13.77, 16.92, 10.24) [0.6779, 0.8331, 0.5041]\n", + " PeriodicSite: Li (5.457, 4.461, 2.431) [0.2687, 0.2196, 0.1197]\n", + " PeriodicSite: Li (4.877, 8.114, 14.0) [0.2401, 0.3995, 0.6891]\n", + " PeriodicSite: Li (3.718, 18.11, 4.675) [0.183, 0.8915, 0.2302]\n", + " PeriodicSite: Li (2.408, 15.63, 12.91) [0.1185, 0.7695, 0.6355]\n", + " PeriodicSite: Li (13.01, 10.75, 5.798) [0.6405, 0.5294, 0.2854]\n", + " PeriodicSite: Li (14.94, 6.958, 11.84) [0.7357, 0.3426, 0.5827]\n", + " PeriodicSite: Li (14.89, 18.09, 2.889) [0.733, 0.8906, 0.1423]\n", + " PeriodicSite: Li (15.42, 2.218, 15.07) [0.7593, 0.1092, 0.7422]\n", + " PeriodicSite: Li (9.244, 3.295, 3.613) [0.4551, 0.1622, 0.1779]\n", + " PeriodicSite: Li (7.951, 4.15, 14.37) [0.3914, 0.2043, 0.7073]\n", + " PeriodicSite: Li (6.873, 9.692, 3.235) [0.3384, 0.4772, 0.1593]\n", + " PeriodicSite: Li (3.354, 10.98, 13.87) [0.1651, 0.5405, 0.6826]\n", + " PeriodicSite: Li (16.83, 1.353, 4.775) [0.8284, 0.06661, 0.2351]\n", + " PeriodicSite: Li (12.81, 4.278, 9.631) [0.6306, 0.2106, 0.4741]\n", + " PeriodicSite: Li (17.91, 10.57, 1.103) [0.8818, 0.5205, 0.05429]\n", + " PeriodicSite: Li (17.08, 10.41, 13.05) [0.8408, 0.5125, 0.6423]\n", + " PeriodicSite: Li (6.711, 18.14, 5.362) [0.3304, 0.893, 0.264]\n", + " PeriodicSite: Li (5.491, 2.303, 14.68) [0.2704, 0.1134, 0.7227]\n", + " PeriodicSite: Li (7.038, 12.35, 0.5827) [0.3465, 0.608, 0.02869]\n", + " PeriodicSite: Li (10.02, 14.35, 12.83) [0.4933, 0.7063, 0.6316]\n", + " PeriodicSite: Li (15.89, 0.4606, 2.768) [0.7823, 0.02267, 0.1363]\n", + " PeriodicSite: Li (19.59, 1.98, 11.32) [0.9645, 0.09745, 0.5575]\n", + " PeriodicSite: Li (17.76, 11.09, 4.306) [0.8744, 0.5461, 0.212]\n", + " PeriodicSite: Li (16.48, 14.75, 12.15) [0.8113, 0.7263, 0.598]\n", + " PeriodicSite: Li (7.909, 5.593, 5.859) [0.3894, 0.2754, 0.2884]\n", + " PeriodicSite: Li (9.337, 1.421, 13.06) [0.4597, 0.06993, 0.6432]\n", + " PeriodicSite: Li (8.862, 13.13, 4.916) [0.4363, 0.6462, 0.242]\n", + " PeriodicSite: Li (7.548, 14.45, 10.19) [0.3716, 0.7113, 0.5015]\n", + " PeriodicSite: Li (20.11, 2.865, 2.299) [0.99, 0.141, 0.1132]\n", + " PeriodicSite: Li (19.17, 3.577, 14.36) [0.9436, 0.1761, 0.7068]\n", + " PeriodicSite: Li (16.94, 14.79, 1.81) [0.8342, 0.7282, 0.08913]\n", + " PeriodicSite: Li (15.34, 12.36, 12.54) [0.7553, 0.6085, 0.6175]\n", + " PeriodicSite: Li (2.621, 19.87, 2.518) [0.129, 0.9784, 0.124]\n", + " PeriodicSite: Li (6.558, 0.0631, 13.17) [0.3229, 0.003105, 0.6485]\n", + " PeriodicSite: Li (5.654, 14.29, 2.486) [0.2783, 0.7035, 0.1224]\n", + " PeriodicSite: Li (7.679, 7.931, 15.29) [0.3781, 0.3904, 0.7529]\n", + " PeriodicSite: Li (17.92, 4.213, 3.632) [0.8822, 0.2074, 0.1788]\n", + " PeriodicSite: Li (17.38, 20.25, 13.05) [0.8559, 0.9968, 0.6424]\n", + " PeriodicSite: Li (17.06, 13.07, 0.1212) [0.8398, 0.6434, 0.005971]\n", + " PeriodicSite: Li (19.87, 11.24, 12.3) [0.9784, 0.5535, 0.6057]\n", + " PeriodicSite: Li (7.014, 2.995, 0.1918) [0.3453, 0.1475, 0.009447]\n", + " PeriodicSite: Li (5.456, 2.741, 11.52) [0.2686, 0.1349, 0.567]\n", + " PeriodicSite: Li (9.667, 11.88, 2.011) [0.4759, 0.5848, 0.09899]\n", + " PeriodicSite: Li (8.201, 11.32, 11.12) [0.4037, 0.5572, 0.5477]\n", + " PeriodicSite: Li (15.34, 3.32, 2.099) [0.755, 0.1635, 0.1034]\n", + " PeriodicSite: Li (16.12, 3.101, 11.5) [0.7938, 0.1527, 0.5664]\n", + " PeriodicSite: Li (1.102, 12.05, 19.48) [0.05426, 0.593, 0.959]\n", + " PeriodicSite: Li (20.02, 13.66, 13.38) [0.9855, 0.6725, 0.6588]\n", + " PeriodicSite: Li (8.559, 0.4033, 1.47) [0.4214, 0.01985, 0.07235]\n", + " PeriodicSite: Li (7.878, 2.247, 10.24) [0.3878, 0.1106, 0.5039]\n", + " PeriodicSite: Li (6.447, 11.92, 4.614) [0.3174, 0.587, 0.2271]\n", + " PeriodicSite: Li (5.221, 13.87, 12.27) [0.257, 0.6826, 0.6039]\n", + " PeriodicSite: Li (17.28, 3.487, 0.1778) [0.851, 0.1717, 0.008756]\n", + " PeriodicSite: Li (0.7695, 7.506, 14.32) [0.03789, 0.3695, 0.7047]\n", + " PeriodicSite: Li (2.781, 16.03, 8.668) [0.1369, 0.789, 0.4267]\n", + " PeriodicSite: Li (17.16, 12.83, 10.01) [0.845, 0.6314, 0.4929]\n", + " PeriodicSite: Li (12.27, 7.537, 5.173) [0.6042, 0.3711, 0.2547]\n", + " PeriodicSite: Li (5.272, 8.464, 17.16) [0.2596, 0.4167, 0.8448]\n", + " PeriodicSite: Li (5.691, 16.82, 8.834) [0.2801, 0.8283, 0.4349]\n", + " PeriodicSite: Li (7.135, 15.87, 19.48) [0.3512, 0.7814, 0.9591]\n", + " PeriodicSite: Li (16.71, 9.397, 6.659) [0.8227, 0.4626, 0.3279]\n", + " PeriodicSite: Li (3.161, 4.9, 18.82) [0.1556, 0.2412, 0.9265]\n", + " PeriodicSite: Li (17.54, 18.26, 5.001) [0.8633, 0.899, 0.2462]\n", + " PeriodicSite: Li (19.7, 17.7, 18.99) [0.9697, 0.8712, 0.9351]\n", + " PeriodicSite: Li (6.882, 8.254, 5.547) [0.3388, 0.4064, 0.2731]\n", + " PeriodicSite: Li (9.955, 5.6, 17.65) [0.4901, 0.2757, 0.8689]\n", + " PeriodicSite: Li (8.39, 20.04, 8.176) [0.4131, 0.9868, 0.4025]\n", + " PeriodicSite: Li (6.626, 19.65, 16.79) [0.3262, 0.9672, 0.8266]\n", + " PeriodicSite: Li (18.37, 9.43, 8.57) [0.9043, 0.4642, 0.4219]\n", + " PeriodicSite: Li (18.2, 7.233, 15.6) [0.8962, 0.3561, 0.7682]\n", + " PeriodicSite: Li (18.18, 19.47, 8.097) [0.8949, 0.9585, 0.3987]\n", + " PeriodicSite: Li (18.15, 15.35, 15.54) [0.8937, 0.7558, 0.7649]\n", + " PeriodicSite: Li (6.557, 4.96, 8.943) [0.3228, 0.2442, 0.4403]\n", + " PeriodicSite: Li (6.947, 5.87, 19.4) [0.342, 0.289, 0.9549]\n", + " PeriodicSite: Li (8.729, 18.39, 9.901) [0.4297, 0.9055, 0.4874]\n", + " PeriodicSite: Li (11.45, 13.94, 15.39) [0.5638, 0.6864, 0.7577]\n", + " PeriodicSite: Li (19.86, 6.879, 7.07) [0.9778, 0.3387, 0.3481]\n", + " PeriodicSite: Li (19.41, 5.777, 17.88) [0.9553, 0.2844, 0.8802]\n", + " PeriodicSite: Li (17.14, 16.91, 9.955) [0.8439, 0.8326, 0.4901]\n", + " PeriodicSite: Li (17.14, 15.71, 19.07) [0.844, 0.7733, 0.939]\n", + " PeriodicSite: Li (9.23, 7.85, 9.041) [0.4544, 0.3864, 0.4451]\n", + " PeriodicSite: Li (8.073, 8.309, 20.04) [0.3975, 0.409, 0.9864]\n", + " PeriodicSite: Li (5.9, 19.94, 7.144) [0.2904, 0.9814, 0.3517]\n", + " PeriodicSite: Li (8.532, 15.08, 2.434) [0.42, 0.7424, 0.1198]\n", + " PeriodicSite: Li (15.14, 6.904, 8.312) [0.7453, 0.3399, 0.4092]\n", + " PeriodicSite: Li (0.004929, 8.497, 18.23) [0.0002437, 0.4183, 0.8974]\n", + " PeriodicSite: Li (15.41, 18.5, 6.879) [0.7588, 0.9108, 0.3387]\n", + " PeriodicSite: Li (15.84, 17.99, 16.22) [0.7799, 0.8857, 0.7986]\n", + " PeriodicSite: Li (6.813, 4.807, 12.08) [0.3354, 0.2367, 0.5947]\n", + " PeriodicSite: Li (7.897, 10.4, 17.99) [0.3888, 0.5119, 0.8856]\n", + " PeriodicSite: Li (9.714, 17.98, 6.117) [0.4782, 0.8852, 0.3011]\n", + " PeriodicSite: Li (10.39, 17.6, 2.667) [0.5113, 0.8665, 0.1313]\n", + " PeriodicSite: Li (16.94, 8.037, 4.156) [0.8341, 0.3957, 0.2046]\n", + " PeriodicSite: Li (14.78, 3.284, 18.39) [0.7279, 0.1617, 0.9052]\n", + " PeriodicSite: Li (19.71, 15.89, 7.136) [0.9702, 0.7824, 0.3513]\n", + " PeriodicSite: Li (19.07, 0.04253, 1.47) [0.9388, 0.002085, 0.07239]\n", + " PeriodicSite: Li (3.511, 10.41, 3.101) [0.1728, 0.5125, 0.1527]\n", + " PeriodicSite: Li (9.911, 8.842, 17.82) [0.4879, 0.4353, 0.8772]\n", + " PeriodicSite: Li (8.2, 15.78, 7.253) [0.4037, 0.7768, 0.3571]\n", + " PeriodicSite: Li (9.153, 18.9, 19.6) [0.4506, 0.9304, 0.9648]\n", + " PeriodicSite: Li (18.11, 4.891, 6.925) [0.8917, 0.2408, 0.3409]\n", + " PeriodicSite: Li (16.93, 12.36, 15.06) [0.8335, 0.6084, 0.7416]\n", + " PeriodicSite: Li (18.48, 14.31, 4.221) [0.9098, 0.7045, 0.2078]\n", + " PeriodicSite: Li (13.43, 0.4711, 13.75) [0.6612, 0.02319, 0.6772]\n", + " PeriodicSite: Cl (7.31, 12.84, 12.7) [0.3599, 0.6322, 0.6251]\n", + " PeriodicSite: Cl (2.763, 12.68, 17.59) [0.136, 0.6243, 0.8661]\n", + " PeriodicSite: Cl (12.64, 17.69, 12.58) [0.6221, 0.8708, 0.6193]\n", + " PeriodicSite: Cl (18.18, 7.863, 18.01) [0.8951, 0.3871, 0.8866]\n", + " PeriodicSite: Cl (7.523, 2.457, 2.203) [0.3704, 0.1209, 0.1085]\n", + " PeriodicSite: Cl (7.514, 7.178, 7.535) [0.3699, 0.3534, 0.371]\n", + " PeriodicSite: Cl (12.77, 12.66, 7.379) [0.6287, 0.6234, 0.3633]\n", + " PeriodicSite: Cl (3.149, 8.051, 2.525) [0.155, 0.3964, 0.1243]\n", + " PeriodicSite: Cl (2.688, 7.953, 12.75) [0.1323, 0.3915, 0.6277]\n", + " PeriodicSite: Cl (12.53, 12.88, 17.47) [0.6169, 0.634, 0.8601]\n", + " PeriodicSite: Cl (18.12, 17.08, 17.21) [0.8923, 0.8407, 0.8472]\n", + " PeriodicSite: Cl (2.515, 2.482, 7.461) [0.1238, 0.1222, 0.3673]\n", + " PeriodicSite: Cl (12.69, 2.404, 17.69) [0.6249, 0.1184, 0.871]\n", + " PeriodicSite: Cl (12.53, 7.707, 2.803) [0.6167, 0.3794, 0.138]\n", + " PeriodicSite: Cl (17.58, 2.248, 13.28) [0.8656, 0.1107, 0.6537]\n", + " PeriodicSite: Cl (7.948, 17.56, 17.87) [0.3913, 0.8647, 0.8799]\n", + " PeriodicSite: Cl (0.337, 19.56, 0.1169) [0.01658, 0.9629, 0.005758]\n", + " PeriodicSite: Cl (20.18, 20.28, 10.26) [0.9933, 0.9982, 0.5049]\n", + " PeriodicSite: Cl (20.3, 10.12, 0.2606) [0.9991, 0.498, 0.01284]\n", + " PeriodicSite: Cl (0.1509, 10.28, 10.16) [0.007425, 0.5062, 0.5001]\n", + " PeriodicSite: Cl (10.34, 0.2874, 0.1791) [0.5092, 0.01415, 0.00882]\n", + " PeriodicSite: Cl (9.779, 0.2192, 9.866) [0.4814, 0.01079, 0.4857]\n", + " PeriodicSite: Cl (9.707, 10.39, 20.08) [0.4779, 0.5113, 0.9886]\n", + " PeriodicSite: Cl (9.712, 10.22, 10.07) [0.4781, 0.5032, 0.4956]\n", + " PeriodicSite: Cl (19.87, 5.226, 5.032) [0.9783, 0.2573, 0.2477]\n", + " PeriodicSite: Cl (19.9, 5.456, 15.6) [0.9795, 0.2686, 0.7678]\n", + " PeriodicSite: Cl (0.02384, 15.37, 5.057) [0.001168, 0.7566, 0.249]\n", + " PeriodicSite: Cl (0.2905, 15.58, 15.28) [0.0143, 0.7671, 0.7524]\n", + " PeriodicSite: Cl (10.13, 5.324, 5.178) [0.4986, 0.2621, 0.2549]\n", + " PeriodicSite: Cl (10.18, 4.822, 15.46) [0.5014, 0.2374, 0.7612]\n", + " PeriodicSite: Cl (10.11, 15.6, 5.491) [0.4977, 0.7678, 0.2703]\n", + " PeriodicSite: Cl (9.862, 15.69, 14.74) [0.4855, 0.7723, 0.7256]\n", + " PeriodicSite: S (5.175, 19.94, 4.965) [0.2547, 0.9817, 0.2445]\n", + " PeriodicSite: S (5.028, 0.09898, 15.11) [0.2475, 0.004872, 0.744]\n", + " PeriodicSite: S (5.33, 9.874, 4.991) [0.2624, 0.4861, 0.2457]\n", + " PeriodicSite: S (4.906, 10.14, 15.41) [0.2415, 0.4991, 0.7587]\n", + " PeriodicSite: S (15.12, 20.03, 5.01) [0.7442, 0.9863, 0.2466]\n", + " PeriodicSite: S (15.19, 20.21, 15.4) [0.7478, 0.9952, 0.758]\n", + " PeriodicSite: S (15.33, 10.26, 4.827) [0.755, 0.5049, 0.2376]\n", + " PeriodicSite: S (15.57, 10.42, 15.24) [0.7663, 0.5131, 0.7502]\n", + " PeriodicSite: S (5.01, 4.812, 20.31) [0.2466, 0.2369, 1.0]\n", + " PeriodicSite: S (4.737, 5.032, 10.59) [0.2332, 0.2477, 0.5215]\n", + " PeriodicSite: S (4.956, 15.13, 0.3453) [0.244, 0.7447, 0.017]\n", + " PeriodicSite: S (5.018, 14.98, 10.2) [0.2471, 0.7373, 0.5021]\n", + " PeriodicSite: S (14.85, 4.786, 20.22) [0.7313, 0.2356, 0.9955]\n", + " PeriodicSite: S (14.81, 5.346, 9.991) [0.729, 0.2632, 0.4918]\n", + " PeriodicSite: S (15.42, 14.73, 20.23) [0.7591, 0.725, 0.9961]\n", + " PeriodicSite: S (15.07, 15.14, 10.34) [0.7417, 0.7452, 0.5089]\n", + " PeriodicSite: S (8.847, 3.8, 8.9) [0.4356, 0.1871, 0.4382]\n", + " PeriodicSite: S (8.888, 4.076, 19.3) [0.4376, 0.2007, 0.9503]\n", + " PeriodicSite: S (9.144, 13.85, 8.815) [0.4502, 0.6817, 0.434]\n", + " PeriodicSite: S (9.071, 14.11, 19.23) [0.4466, 0.6944, 0.9467]\n", + " PeriodicSite: S (19.19, 3.436, 9.03) [0.9446, 0.1692, 0.4446]\n", + " PeriodicSite: S (19.44, 3.944, 19.35) [0.9568, 0.1942, 0.9527]\n", + " PeriodicSite: S (18.66, 14.14, 9.132) [0.9185, 0.6962, 0.4496]\n", + " PeriodicSite: S (19.07, 13.76, 18.98) [0.9389, 0.6772, 0.9346]\n", + " PeriodicSite: S (4.091, 0.9524, 1.287) [0.2014, 0.04689, 0.06338]\n", + " PeriodicSite: S (3.906, 1.035, 11.21) [0.1923, 0.05097, 0.5519]\n", + " PeriodicSite: S (3.711, 11.49, 0.8725) [0.1827, 0.5658, 0.04296]\n", + " PeriodicSite: S (3.929, 11.8, 11.74) [0.1934, 0.5812, 0.578]\n", + " PeriodicSite: S (14.27, 1.241, 1.15) [0.7024, 0.06111, 0.0566]\n", + " PeriodicSite: S (14.29, 1.363, 11.4) [0.7037, 0.06709, 0.5615]\n", + " PeriodicSite: S (13.85, 11.04, 1.28) [0.6821, 0.5435, 0.06301]\n", + " PeriodicSite: S (13.95, 11.21, 10.94) [0.6868, 0.552, 0.5388]\n", + " PeriodicSite: S (6.3, 1.23, 8.843) [0.3102, 0.06054, 0.4353]\n", + " PeriodicSite: S (6.398, 0.9601, 19.06) [0.315, 0.04726, 0.9382]\n", + " PeriodicSite: S (6.263, 11.53, 9.184) [0.3083, 0.5676, 0.4522]\n", + " PeriodicSite: S (5.923, 11.75, 18.78) [0.2916, 0.5784, 0.9245]\n", + " PeriodicSite: S (16.49, 1.318, 9.035) [0.812, 0.0649, 0.4448]\n", + " PeriodicSite: S (16.54, 1.232, 18.98) [0.8141, 0.06065, 0.9345]\n", + " PeriodicSite: S (16.5, 10.98, 8.547) [0.8122, 0.5405, 0.4208]\n", + " PeriodicSite: S (16.37, 11.21, 19.19) [0.8057, 0.5517, 0.9446]\n", + " PeriodicSite: S (1.364, 4.562, 1.641) [0.06716, 0.2246, 0.08077]\n", + " PeriodicSite: S (1.265, 3.404, 11.21) [0.0623, 0.1676, 0.5521]\n", + " PeriodicSite: S (0.8785, 13.73, 1.29) [0.04324, 0.6758, 0.06353]\n", + " PeriodicSite: S (0.8513, 13.99, 11.33) [0.04191, 0.6886, 0.558]\n", + " PeriodicSite: S (10.72, 4.261, 1.672) [0.5276, 0.2098, 0.08233]\n", + " PeriodicSite: S (11.04, 3.973, 11.49) [0.5435, 0.1956, 0.5654]\n", + " PeriodicSite: S (10.94, 14.23, 1.681) [0.5385, 0.7007, 0.08276]\n", + " PeriodicSite: S (11.6, 14.03, 11.1) [0.5709, 0.6907, 0.5465]\n", + " PeriodicSite: S (2.9, 2.633, 17.98) [0.1428, 0.1296, 0.8851]\n", + " PeriodicSite: S (2.512, 12.94, 7.899) [0.1237, 0.6369, 0.3889]\n", + " PeriodicSite: S (12.9, 2.525, 7.812) [0.6352, 0.1243, 0.3846]\n", + " PeriodicSite: S (8.686, 8.495, 4.159) [0.4276, 0.4182, 0.2048]\n", + " PeriodicSite: S (9.182, 9.555, 13.73) [0.452, 0.4704, 0.6759]\n", + " PeriodicSite: S (9.033, 19.3, 3.839) [0.4447, 0.9502, 0.189]\n", + " PeriodicSite: S (9.089, 19.35, 13.76) [0.4475, 0.9525, 0.6774]\n", + " PeriodicSite: S (19.49, 8.928, 3.89) [0.9596, 0.4395, 0.1915]\n", + " PeriodicSite: S (19.13, 9.105, 13.88) [0.942, 0.4483, 0.6832]\n", + " PeriodicSite: S (19.3, 19.03, 3.554) [0.9504, 0.9371, 0.175]\n", + " PeriodicSite: S (19.26, 18.9, 14.41) [0.9482, 0.9305, 0.7095]\n", + " PeriodicSite: S (3.461, 5.984, 6.353) [0.1704, 0.2946, 0.3128]\n", + " PeriodicSite: S (4.018, 6.41, 16.5) [0.1978, 0.3156, 0.8123]\n", + " PeriodicSite: S (4.254, 16.69, 6.402) [0.2094, 0.8219, 0.3152]\n", + " PeriodicSite: S (3.475, 16.5, 16.42) [0.1711, 0.8122, 0.8085]\n", + " PeriodicSite: S (14.17, 6.296, 6.137) [0.6976, 0.31, 0.3021]\n", + " PeriodicSite: S (13.75, 6.559, 16.32) [0.6771, 0.3229, 0.8037]\n", + " PeriodicSite: S (14.27, 16.27, 6.506) [0.7026, 0.8009, 0.3203]\n", + " PeriodicSite: S (13.67, 16.59, 16.17) [0.6728, 0.8169, 0.7958]\n", + " PeriodicSite: S (6.192, 6.128, 4.272) [0.3049, 0.3017, 0.2103]\n", + " PeriodicSite: S (6.428, 6.202, 14.04) [0.3164, 0.3053, 0.6913]\n", + " PeriodicSite: S (6.364, 16.49, 3.829) [0.3133, 0.8116, 0.1885]\n", + " PeriodicSite: S (5.972, 16.71, 14.37) [0.294, 0.8227, 0.7073]\n", + " PeriodicSite: S (16.37, 5.885, 3.613) [0.8062, 0.2897, 0.1779]\n", + " PeriodicSite: S (16.41, 6.341, 14.06) [0.8081, 0.3122, 0.6922]\n", + " PeriodicSite: S (16.37, 16.47, 3.824) [0.8058, 0.8109, 0.1883]\n", + " PeriodicSite: S (16.2, 16.31, 14.07) [0.7974, 0.8027, 0.6927]\n", + " PeriodicSite: S (1.321, 8.805, 6.629) [0.06505, 0.4335, 0.3263]\n", + " PeriodicSite: S (1.036, 9.187, 16.29) [0.051, 0.4523, 0.8021]\n", + " PeriodicSite: S (1.224, 19.22, 6.145) [0.06027, 0.9463, 0.3025]\n", + " PeriodicSite: S (1.596, 19.59, 16.46) [0.07858, 0.9644, 0.8105]\n", + " PeriodicSite: S (10.92, 9.247, 6.675) [0.5375, 0.4552, 0.3286]\n", + " PeriodicSite: S (11.77, 9.305, 16.22) [0.5796, 0.4581, 0.7985]\n", + " PeriodicSite: S (11.45, 19.79, 6.238) [0.5636, 0.9743, 0.3071]\n", + " PeriodicSite: S (11.35, 19.01, 16.32) [0.5589, 0.9361, 0.8037]\n", + " PeriodicSite: S (2.568, 17.61, 2.755) [0.1264, 0.8668, 0.1356]\n", + " PeriodicSite: S (2.647, 17.84, 12.84) [0.1303, 0.8781, 0.632]\n", + " PeriodicSite: S (12.58, 7.737, 12.5) [0.6193, 0.3809, 0.6156]\n", + " PeriodicSite: S (12.65, 17.48, 2.538) [0.6226, 0.8604, 0.1249]\n", + " PeriodicSite: S (4.094, 3.579, 4.041) [0.2016, 0.1762, 0.1989]\n", + " PeriodicSite: S (3.926, 3.952, 13.87) [0.1933, 0.1946, 0.6827]\n", + " PeriodicSite: S (3.884, 14.14, 4.285) [0.1912, 0.6961, 0.211]\n", + " PeriodicSite: S (3.719, 14.0, 14.24) [0.1831, 0.6892, 0.7009]\n", + " PeriodicSite: S (13.62, 4.186, 3.717) [0.6707, 0.2061, 0.183]\n", + " PeriodicSite: S (14.05, 3.958, 14.24) [0.6917, 0.1949, 0.7009]\n", + " PeriodicSite: S (14.25, 14.05, 3.962) [0.7016, 0.6917, 0.1951]\n", + " PeriodicSite: S (13.61, 13.98, 14.14) [0.67, 0.6884, 0.6964]\n", + " PeriodicSite: S (8.948, 1.616, 5.956) [0.4405, 0.07958, 0.2932]\n", + " PeriodicSite: S (8.842, 0.9447, 16.73) [0.4353, 0.04651, 0.8239]\n", + " PeriodicSite: S (8.234, 11.37, 6.261) [0.4054, 0.5596, 0.3082]\n", + " PeriodicSite: S (9.018, 11.58, 16.34) [0.444, 0.57, 0.8043]\n", + " PeriodicSite: S (19.0, 0.7935, 6.123) [0.9356, 0.03906, 0.3015]\n", + " PeriodicSite: S (19.44, 1.366, 16.67) [0.9572, 0.06722, 0.8207]\n", + " PeriodicSite: S (19.1, 11.3, 6.179) [0.9403, 0.5564, 0.3042]\n", + " PeriodicSite: S (19.12, 11.6, 16.46) [0.9415, 0.5711, 0.8103]\n", + " PeriodicSite: S (1.071, 1.422, 3.831) [0.05273, 0.06998, 0.1886]\n", + " PeriodicSite: S (1.044, 1.295, 13.89) [0.05141, 0.06374, 0.6839]\n", + " PeriodicSite: S (1.357, 11.44, 4.373) [0.06682, 0.563, 0.2153]\n", + " PeriodicSite: S (1.027, 11.82, 14.2) [0.05056, 0.582, 0.699]\n", + " PeriodicSite: S (11.14, 1.521, 3.61) [0.5485, 0.07489, 0.1777]\n", + " PeriodicSite: S (11.2, 1.49, 14.48) [0.5514, 0.07335, 0.7127]\n", + " PeriodicSite: S (10.73, 11.39, 4.082) [0.5282, 0.561, 0.201]\n", + " PeriodicSite: S (11.75, 11.7, 14.0) [0.5785, 0.5761, 0.6894]\n", + " PeriodicSite: S (6.148, 3.717, 6.463) [0.3027, 0.183, 0.3182]\n", + " PeriodicSite: S (6.439, 3.93, 16.31) [0.317, 0.1935, 0.8032]\n", + " PeriodicSite: S (6.521, 14.24, 6.409) [0.321, 0.7008, 0.3155]\n", + " PeriodicSite: S (5.843, 14.35, 16.69) [0.2877, 0.7067, 0.8219]\n", + " PeriodicSite: S (16.24, 3.524, 6.037) [0.7995, 0.1735, 0.2972]\n", + " PeriodicSite: S (16.4, 4.242, 16.44) [0.8076, 0.2088, 0.8093]\n", + " PeriodicSite: S (16.72, 14.03, 5.929) [0.823, 0.6905, 0.2919]\n", + " PeriodicSite: S (16.0, 14.04, 16.6) [0.7879, 0.691, 0.8172]\n", + " PeriodicSite: S (7.299, 2.5, 12.66) [0.3593, 0.1231, 0.6234]\n", + " PeriodicSite: S (7.512, 12.82, 2.716) [0.3698, 0.6314, 0.1337]\n", + " PeriodicSite: S (17.72, 2.415, 2.336) [0.8726, 0.1189, 0.115]\n", + " PeriodicSite: S (17.62, 12.6, 2.524) [0.8675, 0.6203, 0.1242]\n", + " PeriodicSite: S (17.72, 12.82, 12.53) [0.8723, 0.631, 0.617]\n", + " PeriodicSite: S (4.041, 9.189, 9.556) [0.1989, 0.4524, 0.4705]\n", + " PeriodicSite: S (3.825, 9.018, 18.93) [0.1883, 0.444, 0.9319]\n", + " PeriodicSite: S (4.032, 18.77, 8.996) [0.1985, 0.9241, 0.4429]\n", + " PeriodicSite: S (3.978, 19.28, 18.74) [0.1958, 0.949, 0.9224]\n", + " PeriodicSite: S (13.86, 8.923, 8.495) [0.6826, 0.4393, 0.4182]\n", + " PeriodicSite: S (14.07, 8.941, 19.06) [0.6928, 0.4402, 0.9383]\n", + " PeriodicSite: S (14.03, 19.18, 8.855) [0.6908, 0.9442, 0.4359]\n", + " PeriodicSite: S (13.73, 19.34, 19.35) [0.6757, 0.952, 0.9529]\n", + " PeriodicSite: S (8.307, 6.558, 1.142) [0.4089, 0.3229, 0.05622]\n", + " PeriodicSite: S (8.685, 6.354, 11.14) [0.4276, 0.3128, 0.5483]\n", + " PeriodicSite: S (8.872, 16.81, 0.7667) [0.4367, 0.8277, 0.03775]\n", + " PeriodicSite: S (8.845, 16.02, 11.24) [0.4354, 0.7888, 0.5534]\n", + " PeriodicSite: S (19.05, 6.669, 1.109) [0.938, 0.3283, 0.05461]\n", + " PeriodicSite: S (18.77, 5.213, 11.85) [0.9243, 0.2566, 0.5833]\n", + " PeriodicSite: S (18.98, 16.35, 0.8754) [0.9343, 0.8048, 0.0431]\n", + " PeriodicSite: S (18.85, 16.57, 11.44) [0.928, 0.8156, 0.5633]\n", + " PeriodicSite: S (0.6651, 6.091, 9.278) [0.03274, 0.2999, 0.4568]\n", + " PeriodicSite: S (1.152, 6.345, 19.01) [0.05672, 0.3124, 0.9357]\n", + " PeriodicSite: S (0.4888, 16.51, 8.987) [0.02406, 0.8129, 0.4424]\n", + " PeriodicSite: S (1.211, 16.02, 19.2) [0.05964, 0.7884, 0.9452]\n", + " PeriodicSite: S (11.15, 6.173, 8.819) [0.5491, 0.3039, 0.4342]\n", + " PeriodicSite: S (11.27, 6.565, 19.6) [0.5547, 0.3232, 0.965]\n", + " PeriodicSite: S (11.38, 16.56, 8.949) [0.5603, 0.8151, 0.4406]\n", + " PeriodicSite: S (11.9, 15.9, 19.34) [0.586, 0.7827, 0.9523]\n", + " PeriodicSite: S (6.318, 9.504, 0.7987) [0.311, 0.4679, 0.03932]\n", + " PeriodicSite: S (6.137, 9.012, 11.89) [0.3021, 0.4437, 0.5853]\n", + " PeriodicSite: S (6.363, 18.95, 0.8532) [0.3133, 0.9329, 0.04201]\n", + " PeriodicSite: S (6.272, 18.97, 11.34) [0.3088, 0.9337, 0.5582]\n", + " PeriodicSite: S (16.24, 8.706, 1.192) [0.7994, 0.4286, 0.0587]\n", + " PeriodicSite: S (16.26, 9.065, 11.29) [0.8007, 0.4463, 0.5556]\n", + " PeriodicSite: S (16.42, 19.17, 1.142) [0.8082, 0.9436, 0.05622]\n", + " PeriodicSite: S (16.55, 19.01, 11.24) [0.8147, 0.936, 0.5535]\n", + " PeriodicSite: S (7.742, 8.035, 17.61) [0.3811, 0.3955, 0.8669]\n", + " PeriodicSite: S (7.716, 17.93, 7.686) [0.3799, 0.8825, 0.3784]\n", + " PeriodicSite: S (17.76, 7.229, 7.614) [0.8742, 0.3559, 0.3749]\n", + " PeriodicSite: S (17.46, 17.5, 7.229) [0.8597, 0.8613, 0.3559]\n", + " PeriodicSite: P (5.109, 20.24, 20.18) [0.2515, 0.9966, 0.9936]\n", + " PeriodicSite: P (5.155, 20.15, 10.09) [0.2538, 0.9922, 0.4969]\n", + " PeriodicSite: P (4.938, 10.36, 20.0) [0.2431, 0.5099, 0.9844]\n", + " PeriodicSite: P (5.148, 10.49, 10.69) [0.2534, 0.5163, 0.5263]\n", + " PeriodicSite: P (15.41, 0.01761, 20.13) [0.7585, 0.0008616, 0.9908]\n", + " PeriodicSite: P (15.32, 0.00709, 10.13) [0.7541, 0.0003428, 0.4989]\n", + " PeriodicSite: P (15.26, 9.973, 0.02005) [0.7512, 0.491, 0.0009922]\n", + " PeriodicSite: P (15.09, 9.916, 9.812) [0.7429, 0.4882, 0.483]\n", + " PeriodicSite: P (4.833, 4.909, 5.296) [0.2379, 0.2417, 0.2608]\n", + " PeriodicSite: P (5.127, 5.126, 15.28) [0.2524, 0.2523, 0.7523]\n", + " PeriodicSite: P (5.226, 15.38, 5.203) [0.2573, 0.757, 0.2562]\n", + " PeriodicSite: P (4.792, 15.42, 15.29) [0.2359, 0.759, 0.7529]\n", + " PeriodicSite: P (15.14, 4.912, 5.014) [0.7452, 0.2418, 0.2469]\n", + " PeriodicSite: P (15.23, 5.294, 15.25) [0.7498, 0.2606, 0.7509]\n", + " PeriodicSite: P (15.38, 15.23, 5.039) [0.7569, 0.7499, 0.2481]\n", + " PeriodicSite: P (14.91, 15.2, 15.3) [0.7339, 0.7482, 0.7533]\n", + " PeriodicSite: P (0.04434, 20.18, 4.854) [0.002175, 0.9934, 0.239]\n", + " PeriodicSite: P (0.1645, 0.05144, 15.27) [0.008104, 0.002534, 0.7518]\n", + " PeriodicSite: P (0.1687, 10.0, 5.415) [0.008303, 0.4924, 0.2666]\n", + " PeriodicSite: P (20.17, 10.49, 15.17) [0.9929, 0.5164, 0.7469]\n", + " PeriodicSite: P (10.08, 0.3734, 4.866) [0.4962, 0.01838, 0.2395]\n", + " PeriodicSite: P (10.01, 20.29, 15.32) [0.4926, 0.9989, 0.7542]\n", + " PeriodicSite: P (9.516, 10.14, 5.282) [0.4685, 0.4994, 0.26]\n", + " PeriodicSite: P (10.41, 10.48, 15.11) [0.5124, 0.5159, 0.7438]\n", + " PeriodicSite: P (0.09482, 5.374, 0.1448) [0.004666, 0.2646, 0.007129]\n", + " PeriodicSite: P (20.13, 4.646, 10.27) [0.9908, 0.2287, 0.5057]\n", + " PeriodicSite: P (20.14, 14.92, 20.28) [0.9913, 0.7347, 0.9984]\n", + " PeriodicSite: P (19.96, 15.3, 10.36) [0.9827, 0.7532, 0.5101]\n", + " PeriodicSite: P (9.793, 5.296, 0.342) [0.4821, 0.2607, 0.01684]\n", + " PeriodicSite: P (9.907, 5.118, 10.24) [0.4877, 0.2519, 0.5039]\n", + " PeriodicSite: P (10.25, 15.31, 0.02575) [0.5047, 0.7538, 0.001272]\n", + " PeriodicSite: P (10.31, 15.21, 10.05) [0.5075, 0.7487, 0.4947],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.899, 3.672, 5.695) [0.09347, 0.1808, 0.2804]\n", + " PeriodicSite: Li (0.1816, 2.613, 17.93) [0.008946, 0.1287, 0.8828]\n", + " PeriodicSite: Li (2.936, 13.15, 9.963) [0.1445, 0.6473, 0.4905]\n", + " PeriodicSite: Li (1.121, 14.02, 16.93) [0.05517, 0.6901, 0.8336]\n", + " PeriodicSite: Li (14.62, 0.6929, 7.158) [0.7196, 0.0341, 0.3524]\n", + " PeriodicSite: Li (12.21, 3.524, 15.53) [0.6009, 0.1735, 0.7643]\n", + " PeriodicSite: Li (15.67, 11.72, 2.9) [0.7713, 0.577, 0.1428]\n", + " PeriodicSite: Li (17.04, 9.941, 17.06) [0.839, 0.4894, 0.84]\n", + " PeriodicSite: Li (2.602, 4.542, 8.545) [0.1281, 0.2236, 0.4207]\n", + " PeriodicSite: Li (4.046, 0.1891, 16.97) [0.1992, 0.009307, 0.8354]\n", + " PeriodicSite: Li (6.098, 9.948, 7.825) [0.3002, 0.4898, 0.3852]\n", + " PeriodicSite: Li (7.27, 10.9, 13.8) [0.3579, 0.5367, 0.6793]\n", + " PeriodicSite: Li (11.7, 5.059, 6.929) [0.5758, 0.2491, 0.3411]\n", + " PeriodicSite: Li (13.69, 6.204, 18.95) [0.6739, 0.3054, 0.933]\n", + " PeriodicSite: Li (11.14, 9.443, 12.09) [0.5483, 0.4649, 0.5952]\n", + " PeriodicSite: Li (10.27, 16.7, 17.42) [0.5056, 0.822, 0.8574]\n", + " PeriodicSite: Li (3.014, 1.025, 5.517) [0.1484, 0.05046, 0.2716]\n", + " PeriodicSite: Li (2.253, 2.45, 15.79) [0.1109, 0.1206, 0.7772]\n", + " PeriodicSite: Li (3.082, 11.32, 6.045) [0.1517, 0.5572, 0.2976]\n", + " PeriodicSite: Li (4.66, 12.72, 16.33) [0.2294, 0.626, 0.8042]\n", + " PeriodicSite: Li (12.63, 1.643, 9.743) [0.6217, 0.08086, 0.4797]\n", + " PeriodicSite: Li (10.48, 2.14, 18.17) [0.5161, 0.1053, 0.8944]\n", + " PeriodicSite: Li (13.75, 13.78, 9.673) [0.6768, 0.6784, 0.4762]\n", + " PeriodicSite: Li (10.32, 11.86, 18.15) [0.5082, 0.5838, 0.8936]\n", + " PeriodicSite: Li (0.1199, 1.923, 8.579) [0.005905, 0.09469, 0.4224]\n", + " PeriodicSite: Li (3.25, 3.338, 20.3) [0.16, 0.1643, 0.9992]\n", + " PeriodicSite: Li (0.3148, 12.66, 8.539) [0.01549, 0.6235, 0.4204]\n", + " PeriodicSite: Li (4.216, 13.32, 19.67) [0.2075, 0.6559, 0.9682]\n", + " PeriodicSite: Li (12.84, 2.004, 5.352) [0.632, 0.09865, 0.2635]\n", + " PeriodicSite: Li (13.25, 0.2945, 16.89) [0.6522, 0.01449, 0.8315]\n", + " PeriodicSite: Li (10.71, 11.34, 8.093) [0.5271, 0.5584, 0.3984]\n", + " PeriodicSite: Li (13.94, 14.94, 17.96) [0.6863, 0.7353, 0.8844]\n", + " PeriodicSite: Li (5.995, 2.113, 5.043) [0.2952, 0.104, 0.2483]\n", + " PeriodicSite: Li (2.45, 0.467, 19.61) [0.1206, 0.02299, 0.9653]\n", + " PeriodicSite: Li (4.682, 13.61, 8.248) [0.2305, 0.6702, 0.4061]\n", + " PeriodicSite: Li (1.004, 17.71, 14.96) [0.04942, 0.872, 0.7364]\n", + " PeriodicSite: Li (14.74, 3.71, 8.165) [0.7259, 0.1826, 0.402]\n", + " PeriodicSite: Li (13.21, 3.12, 0.5247) [0.6504, 0.1536, 0.02583]\n", + " PeriodicSite: Li (16.48, 15.68, 7.746) [0.8112, 0.772, 0.3813]\n", + " PeriodicSite: Li (13.53, 13.64, 0.5808) [0.6663, 0.6716, 0.0286]\n", + " PeriodicSite: Li (5.613, 0.4118, 2.632) [0.2763, 0.02027, 0.1296]\n", + " PeriodicSite: Li (4.795, 2.972, 18.32) [0.2361, 0.1463, 0.9021]\n", + " PeriodicSite: Li (1.938, 13.49, 5.854) [0.09538, 0.6644, 0.2882]\n", + " PeriodicSite: Li (0.4013, 12.74, 2.73) [0.01975, 0.6275, 0.1344]\n", + " PeriodicSite: Li (10.33, 2.103, 7.752) [0.5087, 0.1035, 0.3817]\n", + " PeriodicSite: Li (17.36, 20.22, 17.07) [0.8549, 0.9956, 0.8404]\n", + " PeriodicSite: Li (15.48, 11.98, 6.419) [0.7622, 0.5899, 0.316]\n", + " PeriodicSite: Li (13.79, 12.08, 15.87) [0.6791, 0.5949, 0.7813]\n", + " PeriodicSite: Li (3.225, 10.29, 17.29) [0.1588, 0.5068, 0.8514]\n", + " PeriodicSite: Li (1.833, 10.11, 8.43) [0.09024, 0.4978, 0.415]\n", + " PeriodicSite: Li (3.44, 16.77, 19.56) [0.1694, 0.8254, 0.9628]\n", + " PeriodicSite: Li (2.049, 19.19, 10.83) [0.1009, 0.945, 0.5334]\n", + " PeriodicSite: Li (13.6, 5.671, 1.988) [0.6695, 0.2792, 0.09787]\n", + " PeriodicSite: Li (14.29, 8.772, 16.34) [0.7037, 0.4319, 0.8044]\n", + " PeriodicSite: Li (11.92, 14.91, 6.7) [0.5868, 0.7339, 0.3299]\n", + " PeriodicSite: Li (14.64, 18.2, 14.49) [0.7205, 0.896, 0.7135]\n", + " PeriodicSite: Li (4.481, 6.88, 1.169) [0.2206, 0.3387, 0.05755]\n", + " PeriodicSite: Li (3.389, 5.122, 11.86) [0.1668, 0.2522, 0.5838]\n", + " PeriodicSite: Li (5.03, 17.43, 1.817) [0.2476, 0.8579, 0.08945]\n", + " PeriodicSite: Li (4.435, 18.25, 14.77) [0.2183, 0.8984, 0.7269]\n", + " PeriodicSite: Li (16.54, 6.458, 0.4837) [0.814, 0.3179, 0.02382]\n", + " PeriodicSite: Li (12.1, 5.404, 12.84) [0.5957, 0.266, 0.6321]\n", + " PeriodicSite: Li (13.03, 19.14, 4.61) [0.6416, 0.9423, 0.2269]\n", + " PeriodicSite: Li (10.61, 17.64, 14.04) [0.5222, 0.8686, 0.6911]\n", + " PeriodicSite: Li (1.872, 8.98, 0.5586) [0.09218, 0.4421, 0.0275]\n", + " PeriodicSite: Li (5.369, 7.305, 10.02) [0.2643, 0.3597, 0.4931]\n", + " PeriodicSite: Li (3.16, 15.37, 1.969) [0.1556, 0.7566, 0.09695]\n", + " PeriodicSite: Li (4.467, 17.24, 12.25) [0.2199, 0.8488, 0.603]\n", + " PeriodicSite: Li (11.6, 8.729, 0.477) [0.5708, 0.4297, 0.02349]\n", + " PeriodicSite: Li (11.94, 7.503, 15.08) [0.5878, 0.3694, 0.7424]\n", + " PeriodicSite: Li (12.68, 15.67, 3.368) [0.6241, 0.7716, 0.1658]\n", + " PeriodicSite: Li (14.26, 15.88, 12.33) [0.7021, 0.782, 0.607]\n", + " PeriodicSite: Li (0.07981, 6.361, 3.098) [0.003927, 0.3131, 0.1525]\n", + " PeriodicSite: Li (17.45, 6.526, 9.991) [0.8588, 0.3213, 0.4918]\n", + " PeriodicSite: Li (0.7843, 17.39, 4.135) [0.0386, 0.8563, 0.2036]\n", + " PeriodicSite: Li (0.1166, 18.05, 12.67) [0.005738, 0.8886, 0.6239]\n", + " PeriodicSite: Li (9.862, 6.545, 3.18) [0.4855, 0.3222, 0.1566]\n", + " PeriodicSite: Li (14.33, 9.572, 13.17) [0.7056, 0.4712, 0.6482]\n", + " PeriodicSite: Li (13.58, 16.89, 0.4286) [0.6688, 0.8315, 0.0211]\n", + " PeriodicSite: Li (7.541, 16.21, 15.72) [0.3713, 0.798, 0.7738]\n", + " PeriodicSite: Li (3.279, 7.738, 5.339) [0.1614, 0.381, 0.2628]\n", + " PeriodicSite: Li (0.8447, 7.823, 10.77) [0.04159, 0.3852, 0.5304]\n", + " PeriodicSite: Li (0.6416, 17.59, 1.203) [0.03158, 0.8658, 0.05924]\n", + " PeriodicSite: Li (3.112, 0.05283, 13.57) [0.1532, 0.002601, 0.6682]\n", + " PeriodicSite: Li (14.34, 9.246, 2.743) [0.7058, 0.4552, 0.1351]\n", + " PeriodicSite: Li (13.22, 7.204, 10.1) [0.6511, 0.3546, 0.497]\n", + " PeriodicSite: Li (12.56, 19.56, 0.6156) [0.6185, 0.9631, 0.03031]\n", + " PeriodicSite: Li (13.11, 17.43, 10.03) [0.6453, 0.858, 0.4937]\n", + " PeriodicSite: Li (6.136, 4.252, 2.32) [0.3021, 0.2093, 0.1142]\n", + " PeriodicSite: Li (4.709, 8.186, 13.83) [0.2318, 0.403, 0.6811]\n", + " PeriodicSite: Li (3.708, 18.21, 4.606) [0.1825, 0.8967, 0.2267]\n", + " PeriodicSite: Li (1.46, 15.55, 12.94) [0.0719, 0.7657, 0.637]\n", + " PeriodicSite: Li (12.92, 11.4, 5.359) [0.6362, 0.561, 0.2639]\n", + " PeriodicSite: Li (15.09, 6.91, 12.2) [0.7429, 0.3402, 0.6008]\n", + " PeriodicSite: Li (15.38, 18.15, 3.183) [0.7572, 0.8937, 0.1567]\n", + " PeriodicSite: Li (15.92, 2.385, 14.69) [0.7839, 0.1174, 0.7233]\n", + " PeriodicSite: Li (9.304, 3.126, 3.445) [0.4581, 0.1539, 0.1696]\n", + " PeriodicSite: Li (8.665, 3.491, 14.59) [0.4266, 0.1718, 0.7185]\n", + " PeriodicSite: Li (6.879, 10.33, 3.466) [0.3387, 0.5086, 0.1706]\n", + " PeriodicSite: Li (3.31, 11.12, 14.09) [0.163, 0.5474, 0.6936]\n", + " PeriodicSite: Li (16.85, 1.322, 5.136) [0.8297, 0.06505, 0.2528]\n", + " PeriodicSite: Li (12.91, 4.411, 9.786) [0.6358, 0.2172, 0.4818]\n", + " PeriodicSite: Li (18.1, 10.56, 0.5961) [0.8913, 0.5198, 0.02935]\n", + " PeriodicSite: Li (17.02, 10.02, 13.25) [0.8378, 0.4933, 0.6521]\n", + " PeriodicSite: Li (6.943, 18.74, 4.593) [0.3418, 0.9225, 0.2261]\n", + " PeriodicSite: Li (5.515, 2.504, 14.52) [0.2715, 0.1233, 0.7148]\n", + " PeriodicSite: Li (7.276, 13.03, 0.2408) [0.3582, 0.6412, 0.01186]\n", + " PeriodicSite: Li (9.737, 14.75, 13.07) [0.4794, 0.7262, 0.6433]\n", + " PeriodicSite: Li (15.66, 0.7602, 2.879) [0.7711, 0.03742, 0.1417]\n", + " PeriodicSite: Li (20.1, 1.485, 11.54) [0.9897, 0.0731, 0.5681]\n", + " PeriodicSite: Li (17.87, 11.61, 4.625) [0.8797, 0.5715, 0.2277]\n", + " PeriodicSite: Li (16.97, 14.76, 12.21) [0.8355, 0.7266, 0.6012]\n", + " PeriodicSite: Li (8.094, 5.243, 6.299) [0.3985, 0.2581, 0.3101]\n", + " PeriodicSite: Li (9.565, 0.8872, 12.62) [0.4709, 0.04367, 0.6214]\n", + " PeriodicSite: Li (8.878, 12.74, 4.76) [0.4371, 0.6273, 0.2344]\n", + " PeriodicSite: Li (7.468, 14.89, 10.24) [0.3676, 0.7331, 0.5043]\n", + " PeriodicSite: Li (19.99, 2.878, 2.473) [0.9839, 0.1417, 0.1218]\n", + " PeriodicSite: Li (19.09, 3.643, 14.19) [0.9398, 0.1793, 0.6988]\n", + " PeriodicSite: Li (16.01, 15.21, 2.057) [0.7884, 0.7488, 0.1013]\n", + " PeriodicSite: Li (15.39, 12.21, 13.15) [0.7578, 0.6011, 0.6475]\n", + " PeriodicSite: Li (2.017, 19.89, 2.207) [0.09928, 0.9794, 0.1087]\n", + " PeriodicSite: Li (6.787, 0.3342, 13.05) [0.3341, 0.01645, 0.6426]\n", + " PeriodicSite: Li (5.729, 14.17, 2.475) [0.282, 0.6975, 0.1218]\n", + " PeriodicSite: Li (8.02, 7.326, 15.46) [0.3949, 0.3607, 0.7609]\n", + " PeriodicSite: Li (17.9, 4.149, 4.221) [0.8812, 0.2042, 0.2078]\n", + " PeriodicSite: Li (17.22, 20.18, 13.7) [0.8477, 0.9935, 0.6745]\n", + " PeriodicSite: Li (16.9, 13.29, 0.0276) [0.8321, 0.6543, 0.001365]\n", + " PeriodicSite: Li (19.47, 11.08, 12.06) [0.9584, 0.5454, 0.5936]\n", + " PeriodicSite: Li (6.975, 2.818, 0.02264) [0.3434, 0.1387, 0.001117]\n", + " PeriodicSite: Li (5.408, 2.745, 11.31) [0.2662, 0.1351, 0.557]\n", + " PeriodicSite: Li (9.695, 12.01, 2.009) [0.4773, 0.5912, 0.09893]\n", + " PeriodicSite: Li (8.128, 10.99, 11.26) [0.4001, 0.5411, 0.5543]\n", + " PeriodicSite: Li (15.64, 3.732, 2.338) [0.77, 0.1837, 0.1151]\n", + " PeriodicSite: Li (16.8, 3.147, 10.66) [0.827, 0.1549, 0.5247]\n", + " PeriodicSite: Li (0.9731, 12.13, 19.79) [0.04791, 0.5973, 0.9742]\n", + " PeriodicSite: Li (19.76, 13.39, 13.36) [0.9727, 0.6594, 0.6578]\n", + " PeriodicSite: Li (9.634, 0.592, 1.937) [0.4743, 0.02914, 0.09535]\n", + " PeriodicSite: Li (7.633, 2.177, 10.25) [0.3758, 0.1072, 0.5046]\n", + " PeriodicSite: Li (5.986, 12.0, 4.784) [0.2947, 0.5908, 0.2355]\n", + " PeriodicSite: Li (5.442, 13.89, 12.13) [0.2679, 0.6839, 0.5972]\n", + " PeriodicSite: Li (17.33, 2.837, 0.2801) [0.853, 0.1397, 0.0138]\n", + " PeriodicSite: Li (0.9999, 7.177, 14.74) [0.04923, 0.3533, 0.7258]\n", + " PeriodicSite: Li (3.329, 16.31, 9.289) [0.1639, 0.8027, 0.4573]\n", + " PeriodicSite: Li (16.72, 13.02, 10.33) [0.823, 0.6412, 0.5086]\n", + " PeriodicSite: Li (12.68, 7.707, 4.863) [0.6241, 0.3794, 0.2394]\n", + " PeriodicSite: Li (5.645, 8.251, 17.0) [0.2779, 0.4062, 0.8371]\n", + " PeriodicSite: Li (5.749, 17.19, 9.251) [0.283, 0.8463, 0.4555]\n", + " PeriodicSite: Li (7.18, 16.19, 19.25) [0.3535, 0.797, 0.9476]\n", + " PeriodicSite: Li (16.0, 9.379, 7.004) [0.7876, 0.4617, 0.3448]\n", + " PeriodicSite: Li (2.848, 4.973, 18.22) [0.1402, 0.2448, 0.8968]\n", + " PeriodicSite: Li (17.38, 18.89, 5.868) [0.8558, 0.9299, 0.2889]\n", + " PeriodicSite: Li (20.2, 18.57, 18.46) [0.9945, 0.9145, 0.9087]\n", + " PeriodicSite: Li (6.91, 8.283, 5.41) [0.3402, 0.4078, 0.2663]\n", + " PeriodicSite: Li (9.432, 6.008, 17.54) [0.4644, 0.2958, 0.8635]\n", + " PeriodicSite: Li (7.838, 0.1994, 7.845) [0.3859, 0.009812, 0.3862]\n", + " PeriodicSite: Li (7.071, 20.09, 16.16) [0.3481, 0.9891, 0.7958]\n", + " PeriodicSite: Li (17.86, 9.327, 9.286) [0.8791, 0.4592, 0.4572]\n", + " PeriodicSite: Li (18.23, 7.096, 15.41) [0.8976, 0.3493, 0.7584]\n", + " PeriodicSite: Li (18.25, 19.79, 8.494) [0.8985, 0.9744, 0.4182]\n", + " PeriodicSite: Li (18.15, 16.24, 15.89) [0.8934, 0.7996, 0.7824]\n", + " PeriodicSite: Li (6.598, 5.091, 8.472) [0.3248, 0.2506, 0.4171]\n", + " PeriodicSite: Li (6.488, 5.448, 18.24) [0.3194, 0.2682, 0.8978]\n", + " PeriodicSite: Li (8.749, 18.51, 9.716) [0.4307, 0.9113, 0.4783]\n", + " PeriodicSite: Li (11.47, 13.74, 15.35) [0.5646, 0.6766, 0.7559]\n", + " PeriodicSite: Li (19.86, 7.304, 7.144) [0.9778, 0.3596, 0.3517]\n", + " PeriodicSite: Li (19.41, 5.842, 17.74) [0.9556, 0.2876, 0.8734]\n", + " PeriodicSite: Li (16.98, 16.9, 10.15) [0.8359, 0.8321, 0.4998]\n", + " PeriodicSite: Li (17.15, 15.93, 18.95) [0.8442, 0.7842, 0.9327]\n", + " PeriodicSite: Li (9.129, 7.712, 9.387) [0.4494, 0.3797, 0.4621]\n", + " PeriodicSite: Li (7.974, 8.454, 0.02576) [0.3926, 0.4162, 0.001271]\n", + " PeriodicSite: Li (5.663, 19.42, 6.976) [0.2788, 0.9559, 0.3434]\n", + " PeriodicSite: Li (8.559, 15.46, 3.075) [0.4214, 0.7611, 0.1514]\n", + " PeriodicSite: Li (15.44, 6.671, 8.279) [0.7602, 0.3284, 0.4076]\n", + " PeriodicSite: Li (20.07, 8.693, 18.25) [0.9882, 0.428, 0.8983]\n", + " PeriodicSite: Li (14.93, 17.95, 7.199) [0.7352, 0.8835, 0.3544]\n", + " PeriodicSite: Li (15.64, 18.19, 17.55) [0.7702, 0.8954, 0.8638]\n", + " PeriodicSite: Li (6.973, 4.625, 12.13) [0.3433, 0.2277, 0.597]\n", + " PeriodicSite: Li (7.164, 10.48, 16.69) [0.3527, 0.5158, 0.8218]\n", + " PeriodicSite: Li (9.825, 17.87, 6.142) [0.4837, 0.8797, 0.3024]\n", + " PeriodicSite: Li (10.75, 17.66, 2.406) [0.5295, 0.8693, 0.1185]\n", + " PeriodicSite: Li (16.86, 8.23, 4.759) [0.8301, 0.4052, 0.2343]\n", + " PeriodicSite: Li (14.83, 3.393, 18.63) [0.7301, 0.1671, 0.9172]\n", + " PeriodicSite: Li (19.24, 15.81, 7.035) [0.9471, 0.7784, 0.3463]\n", + " PeriodicSite: Li (18.61, 20.23, 1.841) [0.9163, 0.9961, 0.09063]\n", + " PeriodicSite: Li (3.777, 9.781, 3.098) [0.186, 0.4815, 0.1525]\n", + " PeriodicSite: Li (9.908, 8.495, 17.99) [0.4878, 0.4182, 0.8856]\n", + " PeriodicSite: Li (8.311, 15.68, 7.01) [0.4092, 0.772, 0.3451]\n", + " PeriodicSite: Li (8.502, 19.38, 19.32) [0.4186, 0.9542, 0.951]\n", + " PeriodicSite: Li (17.93, 5.033, 6.942) [0.8828, 0.2478, 0.3418]\n", + " PeriodicSite: Li (17.11, 12.26, 15.52) [0.8421, 0.6035, 0.764]\n", + " PeriodicSite: Li (18.41, 14.52, 3.672) [0.9061, 0.7146, 0.1808]\n", + " PeriodicSite: Li (13.58, 0.5427, 13.62) [0.6686, 0.02671, 0.6706]\n", + " PeriodicSite: Cl (7.891, 13.01, 12.36) [0.3885, 0.6406, 0.6083]\n", + " PeriodicSite: Cl (2.471, 12.4, 17.91) [0.1217, 0.6106, 0.8817]\n", + " PeriodicSite: Cl (13.06, 17.85, 12.4) [0.643, 0.8786, 0.6106]\n", + " PeriodicSite: Cl (18.09, 7.894, 17.65) [0.8905, 0.3886, 0.869]\n", + " PeriodicSite: Cl (7.397, 2.322, 2.501) [0.3642, 0.1143, 0.1231]\n", + " PeriodicSite: Cl (7.041, 7.35, 8.185) [0.3466, 0.3618, 0.403]\n", + " PeriodicSite: Cl (12.96, 12.7, 7.338) [0.6382, 0.6254, 0.3613]\n", + " PeriodicSite: Cl (2.755, 8.019, 2.611) [0.1356, 0.3948, 0.1285]\n", + " PeriodicSite: Cl (2.118, 7.221, 12.82) [0.1043, 0.3555, 0.6311]\n", + " PeriodicSite: Cl (12.52, 13.11, 17.54) [0.6162, 0.6454, 0.8634]\n", + " PeriodicSite: Cl (17.83, 17.9, 17.78) [0.878, 0.8812, 0.8754]\n", + " PeriodicSite: Cl (2.155, 2.359, 7.351) [0.1061, 0.1161, 0.3619]\n", + " PeriodicSite: Cl (12.92, 2.553, 17.67) [0.6361, 0.1257, 0.8698]\n", + " PeriodicSite: Cl (12.44, 7.763, 2.614) [0.6125, 0.3822, 0.1287]\n", + " PeriodicSite: Cl (17.6, 2.032, 13.01) [0.8664, 0.1, 0.6403]\n", + " PeriodicSite: Cl (7.866, 17.67, 17.5) [0.3872, 0.8698, 0.8615]\n", + " PeriodicSite: Cl (0.3657, 20.04, 0.1575) [0.018, 0.9867, 0.007755]\n", + " PeriodicSite: Cl (20.3, 20.27, 9.857) [0.9992, 0.9981, 0.4853]\n", + " PeriodicSite: Cl (20.3, 10.3, 0.0188) [0.9992, 0.507, 0.0009317]\n", + " PeriodicSite: Cl (20.15, 9.818, 10.11) [0.9919, 0.4833, 0.4976]\n", + " PeriodicSite: Cl (10.65, 0.3388, 20.12) [0.5243, 0.01667, 0.9905]\n", + " PeriodicSite: Cl (9.753, 0.502, 9.874) [0.4801, 0.02471, 0.4861]\n", + " PeriodicSite: Cl (10.04, 10.17, 19.95) [0.4943, 0.5009, 0.982]\n", + " PeriodicSite: Cl (9.953, 9.911, 9.676) [0.49, 0.4879, 0.4764]\n", + " PeriodicSite: Cl (19.8, 4.783, 5.591) [0.9748, 0.2355, 0.2753]\n", + " PeriodicSite: Cl (20.0, 5.523, 15.45) [0.9848, 0.2719, 0.7607]\n", + " PeriodicSite: Cl (20.09, 15.52, 4.86) [0.9891, 0.7642, 0.2393]\n", + " PeriodicSite: Cl (20.22, 15.11, 15.06) [0.9954, 0.7438, 0.7416]\n", + " PeriodicSite: Cl (10.09, 5.006, 4.936) [0.4967, 0.2465, 0.243]\n", + " PeriodicSite: Cl (10.38, 5.247, 15.55) [0.5109, 0.2583, 0.7655]\n", + " PeriodicSite: Cl (10.12, 15.68, 5.123) [0.4983, 0.772, 0.2522]\n", + " PeriodicSite: Cl (9.952, 15.56, 15.23) [0.49, 0.7658, 0.7496]\n", + " PeriodicSite: S (5.131, 20.3, 4.911) [0.2526, 0.9995, 0.2418]\n", + " PeriodicSite: S (5.128, 0.1347, 14.94) [0.2525, 0.00663, 0.7354]\n", + " PeriodicSite: S (4.967, 9.957, 5.365) [0.2445, 0.4902, 0.2641]\n", + " PeriodicSite: S (5.119, 10.14, 15.52) [0.252, 0.4993, 0.7642]\n", + " PeriodicSite: S (15.42, 20.09, 5.023) [0.7593, 0.9892, 0.2473]\n", + " PeriodicSite: S (15.28, 20.22, 15.36) [0.7523, 0.9956, 0.7561]\n", + " PeriodicSite: S (15.28, 10.14, 4.872) [0.752, 0.499, 0.2398]\n", + " PeriodicSite: S (15.26, 10.48, 15.05) [0.7514, 0.5159, 0.7409]\n", + " PeriodicSite: S (5.159, 4.608, 20.1) [0.254, 0.2269, 0.9895]\n", + " PeriodicSite: S (5.173, 4.955, 10.45) [0.2547, 0.2439, 0.5146]\n", + " PeriodicSite: S (5.131, 15.4, 0.3908) [0.2526, 0.758, 0.01924]\n", + " PeriodicSite: S (5.06, 15.32, 10.4) [0.2491, 0.7541, 0.5118]\n", + " PeriodicSite: S (14.99, 4.579, 0.2544) [0.738, 0.2254, 0.01253]\n", + " PeriodicSite: S (14.92, 5.241, 10.15) [0.7345, 0.258, 0.4998]\n", + " PeriodicSite: S (15.24, 15.1, 20.13) [0.7503, 0.7433, 0.9912]\n", + " PeriodicSite: S (15.56, 15.12, 10.46) [0.7659, 0.7443, 0.5152]\n", + " PeriodicSite: S (8.885, 3.878, 9.039) [0.4374, 0.1909, 0.445]\n", + " PeriodicSite: S (9.091, 4.26, 18.96) [0.4476, 0.2097, 0.9333]\n", + " PeriodicSite: S (9.262, 14.04, 8.898) [0.456, 0.6911, 0.4381]\n", + " PeriodicSite: S (8.872, 14.12, 19.26) [0.4368, 0.6952, 0.9483]\n", + " PeriodicSite: S (18.73, 3.554, 9.074) [0.9221, 0.175, 0.4467]\n", + " PeriodicSite: S (19.34, 4.087, 19.62) [0.9522, 0.2012, 0.9659]\n", + " PeriodicSite: S (18.86, 14.34, 9.099) [0.9287, 0.706, 0.4479]\n", + " PeriodicSite: S (19.18, 13.78, 18.89) [0.944, 0.6783, 0.93]\n", + " PeriodicSite: S (3.972, 0.8439, 0.8012) [0.1955, 0.04154, 0.03944]\n", + " PeriodicSite: S (3.639, 0.7646, 11.18) [0.1791, 0.03764, 0.5504]\n", + " PeriodicSite: S (3.702, 11.59, 1.196) [0.1823, 0.5707, 0.05886]\n", + " PeriodicSite: S (3.744, 11.65, 11.73) [0.1843, 0.5735, 0.5773]\n", + " PeriodicSite: S (14.16, 0.928, 1.159) [0.697, 0.04568, 0.05704]\n", + " PeriodicSite: S (14.15, 1.334, 11.45) [0.6965, 0.06568, 0.5636]\n", + " PeriodicSite: S (13.66, 11.15, 1.056) [0.6723, 0.5488, 0.052]\n", + " PeriodicSite: S (13.86, 11.4, 10.94) [0.6824, 0.561, 0.5386]\n", + " PeriodicSite: S (5.953, 1.129, 9.141) [0.2931, 0.05556, 0.45]\n", + " PeriodicSite: S (6.411, 1.025, 18.84) [0.3156, 0.05045, 0.9274]\n", + " PeriodicSite: S (6.192, 11.53, 9.442) [0.3048, 0.5675, 0.4649]\n", + " PeriodicSite: S (6.046, 11.41, 19.17) [0.2976, 0.5617, 0.9436]\n", + " PeriodicSite: S (16.29, 1.333, 8.788) [0.8021, 0.0656, 0.4326]\n", + " PeriodicSite: S (16.32, 1.154, 18.99) [0.8035, 0.05679, 0.9347]\n", + " PeriodicSite: S (16.48, 11.32, 8.818) [0.8115, 0.5574, 0.4341]\n", + " PeriodicSite: S (16.22, 11.19, 19.04) [0.7988, 0.5508, 0.9372]\n", + " PeriodicSite: S (1.357, 4.59, 1.576) [0.06679, 0.2259, 0.07757]\n", + " PeriodicSite: S (1.168, 3.548, 10.74) [0.05751, 0.1747, 0.5286]\n", + " PeriodicSite: S (1.334, 13.94, 1.054) [0.06568, 0.6862, 0.0519]\n", + " PeriodicSite: S (0.8772, 13.85, 11.35) [0.04318, 0.6819, 0.5588]\n", + " PeriodicSite: S (11.07, 4.477, 1.486) [0.545, 0.2204, 0.07316]\n", + " PeriodicSite: S (11.18, 3.713, 11.35) [0.5504, 0.1828, 0.5587]\n", + " PeriodicSite: S (11.02, 14.28, 1.778) [0.5424, 0.7032, 0.08753]\n", + " PeriodicSite: S (11.64, 14.26, 11.46) [0.5731, 0.7023, 0.5641]\n", + " PeriodicSite: S (2.515, 2.328, 18.04) [0.1238, 0.1146, 0.888]\n", + " PeriodicSite: S (2.591, 12.47, 7.861) [0.1275, 0.6137, 0.387]\n", + " PeriodicSite: S (12.65, 2.718, 7.649) [0.6227, 0.1338, 0.3766]\n", + " PeriodicSite: S (8.94, 8.72, 3.982) [0.4401, 0.4293, 0.196]\n", + " PeriodicSite: S (9.184, 8.988, 14.06) [0.4521, 0.4425, 0.692]\n", + " PeriodicSite: S (9.055, 19.23, 3.571) [0.4458, 0.9465, 0.1758]\n", + " PeriodicSite: S (8.707, 19.31, 14.26) [0.4286, 0.9504, 0.7019]\n", + " PeriodicSite: S (19.23, 8.91, 3.97) [0.9468, 0.4386, 0.1955]\n", + " PeriodicSite: S (19.15, 9.01, 14.17) [0.9428, 0.4435, 0.6976]\n", + " PeriodicSite: S (19.24, 19.09, 3.783) [0.9473, 0.94, 0.1862]\n", + " PeriodicSite: S (19.17, 19.14, 14.5) [0.9437, 0.9423, 0.7137]\n", + " PeriodicSite: S (3.713, 5.805, 6.663) [0.1828, 0.2858, 0.328]\n", + " PeriodicSite: S (4.016, 6.556, 16.52) [0.1977, 0.3227, 0.8135]\n", + " PeriodicSite: S (4.343, 16.25, 6.487) [0.2138, 0.7999, 0.3193]\n", + " PeriodicSite: S (3.446, 16.67, 16.36) [0.1697, 0.8206, 0.8056]\n", + " PeriodicSite: S (13.84, 5.942, 6.152) [0.6812, 0.2925, 0.3029]\n", + " PeriodicSite: S (13.75, 6.46, 16.45) [0.6769, 0.318, 0.8099]\n", + " PeriodicSite: S (14.08, 15.96, 5.928) [0.6931, 0.7858, 0.2919]\n", + " PeriodicSite: S (13.94, 16.79, 16.39) [0.6863, 0.8264, 0.807]\n", + " PeriodicSite: S (6.259, 6.109, 4.064) [0.3081, 0.3007, 0.2001]\n", + " PeriodicSite: S (6.171, 6.213, 14.08) [0.3038, 0.3059, 0.693]\n", + " PeriodicSite: S (6.326, 16.19, 3.95) [0.3114, 0.7971, 0.1944]\n", + " PeriodicSite: S (6.032, 16.37, 14.03) [0.2969, 0.8057, 0.6906]\n", + " PeriodicSite: S (16.13, 5.965, 3.515) [0.7943, 0.2937, 0.173]\n", + " PeriodicSite: S (16.26, 6.188, 14.01) [0.8003, 0.3047, 0.6897]\n", + " PeriodicSite: S (16.69, 16.36, 3.952) [0.8215, 0.8057, 0.1945]\n", + " PeriodicSite: S (16.33, 16.63, 13.92) [0.8039, 0.8188, 0.6855]\n", + " PeriodicSite: S (1.374, 8.716, 6.457) [0.06764, 0.4291, 0.3179]\n", + " PeriodicSite: S (1.432, 9.043, 16.4) [0.07048, 0.4452, 0.8075]\n", + " PeriodicSite: S (1.344, 19.19, 6.062) [0.06614, 0.9448, 0.2985]\n", + " PeriodicSite: S (1.302, 19.7, 16.4) [0.0641, 0.9696, 0.8075]\n", + " PeriodicSite: S (11.53, 9.33, 6.405) [0.5675, 0.4593, 0.3153]\n", + " PeriodicSite: S (11.2, 9.49, 16.53) [0.5514, 0.4672, 0.814]\n", + " PeriodicSite: S (11.25, 19.65, 6.213) [0.5538, 0.9672, 0.3059]\n", + " PeriodicSite: S (11.36, 19.03, 16.46) [0.5592, 0.9367, 0.8102]\n", + " PeriodicSite: S (2.735, 17.63, 2.386) [0.1347, 0.8682, 0.1174]\n", + " PeriodicSite: S (2.254, 17.84, 12.78) [0.111, 0.8784, 0.629]\n", + " PeriodicSite: S (12.83, 7.901, 12.52) [0.6316, 0.389, 0.6163]\n", + " PeriodicSite: S (13.07, 17.91, 2.487) [0.6434, 0.8818, 0.1224]\n", + " PeriodicSite: S (4.1, 3.443, 4.012) [0.2018, 0.1695, 0.1975]\n", + " PeriodicSite: S (3.74, 4.083, 14.33) [0.1841, 0.201, 0.7057]\n", + " PeriodicSite: S (4.157, 13.68, 4.322) [0.2046, 0.6733, 0.2128]\n", + " PeriodicSite: S (3.76, 13.96, 14.51) [0.1851, 0.6875, 0.7142]\n", + " PeriodicSite: S (13.69, 3.612, 3.852) [0.6742, 0.1778, 0.1896]\n", + " PeriodicSite: S (14.04, 3.775, 14.09) [0.6911, 0.1859, 0.6935]\n", + " PeriodicSite: S (14.41, 13.79, 3.548) [0.7094, 0.679, 0.1747]\n", + " PeriodicSite: S (13.84, 14.34, 14.22) [0.6813, 0.7057, 0.6999]\n", + " PeriodicSite: S (8.589, 1.287, 5.672) [0.4228, 0.06336, 0.2792]\n", + " PeriodicSite: S (9.007, 1.301, 16.69) [0.4434, 0.06406, 0.8216]\n", + " PeriodicSite: S (8.762, 11.02, 6.372) [0.4313, 0.5424, 0.3137]\n", + " PeriodicSite: S (8.854, 11.78, 16.05) [0.4359, 0.5799, 0.7903]\n", + " PeriodicSite: S (18.99, 0.817, 6.342) [0.9351, 0.04021, 0.3122]\n", + " PeriodicSite: S (18.97, 1.654, 16.29) [0.934, 0.08142, 0.8019]\n", + " PeriodicSite: S (19.19, 11.0, 6.645) [0.9447, 0.5415, 0.3272]\n", + " PeriodicSite: S (19.11, 11.21, 16.65) [0.9408, 0.5516, 0.8198]\n", + " PeriodicSite: S (0.9848, 1.436, 3.976) [0.04848, 0.07071, 0.1957]\n", + " PeriodicSite: S (0.9797, 1.626, 13.93) [0.04823, 0.08003, 0.6858]\n", + " PeriodicSite: S (1.484, 11.21, 4.228) [0.07304, 0.5521, 0.2082]\n", + " PeriodicSite: S (0.8935, 11.59, 13.93) [0.04398, 0.5705, 0.6857]\n", + " PeriodicSite: S (11.04, 1.494, 3.488) [0.5437, 0.07354, 0.1717]\n", + " PeriodicSite: S (11.23, 1.195, 14.26) [0.5531, 0.05881, 0.7021]\n", + " PeriodicSite: S (10.98, 11.5, 4.023) [0.5404, 0.5662, 0.198]\n", + " PeriodicSite: S (11.26, 11.58, 13.77) [0.5542, 0.57, 0.6778]\n", + " PeriodicSite: S (6.286, 3.805, 6.488) [0.3095, 0.1873, 0.3194]\n", + " PeriodicSite: S (6.334, 3.858, 16.45) [0.3118, 0.1899, 0.81]\n", + " PeriodicSite: S (6.663, 13.93, 6.559) [0.328, 0.6856, 0.3229]\n", + " PeriodicSite: S (6.013, 14.63, 17.03) [0.296, 0.7203, 0.8386]\n", + " PeriodicSite: S (16.16, 3.632, 6.005) [0.7954, 0.1788, 0.2956]\n", + " PeriodicSite: S (16.31, 4.148, 16.56) [0.8031, 0.2042, 0.8152]\n", + " PeriodicSite: S (16.69, 13.9, 6.03) [0.8217, 0.6844, 0.2968]\n", + " PeriodicSite: S (16.34, 14.57, 16.62) [0.8044, 0.7171, 0.8181]\n", + " PeriodicSite: S (7.62, 2.513, 12.73) [0.3751, 0.1237, 0.6266]\n", + " PeriodicSite: S (7.505, 12.6, 2.758) [0.3695, 0.6204, 0.1358]\n", + " PeriodicSite: S (17.7, 2.194, 2.767) [0.8713, 0.108, 0.1362]\n", + " PeriodicSite: S (17.93, 12.71, 2.376) [0.8826, 0.6257, 0.117]\n", + " PeriodicSite: S (17.52, 12.5, 12.98) [0.8624, 0.6152, 0.6389]\n", + " PeriodicSite: S (3.952, 9.121, 9.322) [0.1946, 0.4491, 0.4589]\n", + " PeriodicSite: S (3.677, 8.948, 19.25) [0.181, 0.4405, 0.9479]\n", + " PeriodicSite: S (3.872, 18.97, 8.874) [0.1906, 0.9339, 0.4369]\n", + " PeriodicSite: S (4.258, 18.93, 18.9) [0.2096, 0.9318, 0.9305]\n", + " PeriodicSite: S (14.12, 8.935, 8.679) [0.6949, 0.4399, 0.4273]\n", + " PeriodicSite: S (13.53, 9.111, 18.83) [0.6663, 0.4486, 0.9269]\n", + " PeriodicSite: S (13.55, 19.76, 8.869) [0.6671, 0.973, 0.4366]\n", + " PeriodicSite: S (14.36, 18.88, 19.11) [0.7071, 0.9297, 0.941]\n", + " PeriodicSite: S (8.413, 6.229, 1.247) [0.4142, 0.3067, 0.06139]\n", + " PeriodicSite: S (8.866, 6.255, 11.37) [0.4365, 0.308, 0.5597]\n", + " PeriodicSite: S (9.183, 16.83, 0.7703) [0.4521, 0.8286, 0.03793]\n", + " PeriodicSite: S (9.184, 16.41, 11.31) [0.4521, 0.8077, 0.5567]\n", + " PeriodicSite: S (19.21, 6.671, 1.11) [0.9459, 0.3284, 0.05466]\n", + " PeriodicSite: S (18.96, 5.683, 11.65) [0.9334, 0.2798, 0.5734]\n", + " PeriodicSite: S (19.0, 16.4, 0.6183) [0.9354, 0.8074, 0.03045]\n", + " PeriodicSite: S (19.21, 16.32, 11.61) [0.9458, 0.8035, 0.5714]\n", + " PeriodicSite: S (0.8651, 6.144, 9.117) [0.04259, 0.3025, 0.4489]\n", + " PeriodicSite: S (1.193, 6.611, 19.04) [0.05873, 0.3255, 0.9376]\n", + " PeriodicSite: S (1.113, 16.45, 8.893) [0.05477, 0.8101, 0.4378]\n", + " PeriodicSite: S (1.05, 16.17, 18.75) [0.0517, 0.7962, 0.923]\n", + " PeriodicSite: S (11.11, 6.312, 8.983) [0.5471, 0.3108, 0.4423]\n", + " PeriodicSite: S (11.13, 6.697, 19.32) [0.548, 0.3297, 0.9512]\n", + " PeriodicSite: S (11.38, 16.59, 8.777) [0.5604, 0.8167, 0.4321]\n", + " PeriodicSite: S (11.58, 16.11, 19.23) [0.5701, 0.7932, 0.9467]\n", + " PeriodicSite: S (5.902, 9.055, 1.166) [0.2906, 0.4458, 0.05739]\n", + " PeriodicSite: S (6.226, 9.316, 11.75) [0.3065, 0.4586, 0.5786]\n", + " PeriodicSite: S (6.692, 19.2, 0.9659) [0.3294, 0.9454, 0.04756]\n", + " PeriodicSite: S (6.588, 18.8, 11.25) [0.3243, 0.9254, 0.5536]\n", + " PeriodicSite: S (15.91, 8.808, 0.958) [0.7835, 0.4336, 0.04717]\n", + " PeriodicSite: S (16.33, 9.093, 11.22) [0.804, 0.4477, 0.5523]\n", + " PeriodicSite: S (16.77, 18.91, 0.881) [0.8256, 0.9311, 0.04338]\n", + " PeriodicSite: S (16.29, 18.99, 11.32) [0.8022, 0.9351, 0.5572]\n", + " PeriodicSite: S (7.849, 7.572, 17.73) [0.3864, 0.3728, 0.873]\n", + " PeriodicSite: S (7.716, 18.11, 7.26) [0.3799, 0.8914, 0.3574]\n", + " PeriodicSite: S (17.53, 7.296, 7.825) [0.8629, 0.3592, 0.3852]\n", + " PeriodicSite: S (17.16, 17.87, 7.796) [0.8448, 0.8799, 0.3838]\n", + " PeriodicSite: P (5.286, 20.07, 20.05) [0.2602, 0.9881, 0.9872]\n", + " PeriodicSite: P (5.044, 19.95, 10.18) [0.2483, 0.9822, 0.5014]\n", + " PeriodicSite: P (4.81, 10.36, 20.28) [0.2368, 0.5099, 0.9984]\n", + " PeriodicSite: P (4.995, 10.42, 10.54) [0.2459, 0.513, 0.5187]\n", + " PeriodicSite: P (15.41, 20.16, 20.28) [0.7585, 0.9924, 0.9984]\n", + " PeriodicSite: P (15.19, 0.01619, 10.13) [0.7481, 0.0007908, 0.4988]\n", + " PeriodicSite: P (14.73, 10.18, 19.99) [0.7254, 0.5012, 0.9841]\n", + " PeriodicSite: P (15.09, 10.25, 9.864) [0.7429, 0.5048, 0.4856]\n", + " PeriodicSite: P (5.065, 4.9, 5.284) [0.2494, 0.2412, 0.2601]\n", + " PeriodicSite: P (5.003, 5.179, 15.38) [0.2463, 0.255, 0.757]\n", + " PeriodicSite: P (5.411, 14.98, 5.41) [0.2664, 0.7373, 0.2663]\n", + " PeriodicSite: P (4.82, 15.37, 15.54) [0.2373, 0.7569, 0.765]\n", + " PeriodicSite: P (14.93, 4.812, 4.817) [0.7349, 0.2369, 0.2371]\n", + " PeriodicSite: P (14.98, 5.264, 15.34) [0.7373, 0.2591, 0.755]\n", + " PeriodicSite: P (15.45, 15.06, 4.79) [0.7606, 0.7416, 0.2358]\n", + " PeriodicSite: P (15.11, 15.61, 15.25) [0.7437, 0.7686, 0.7506]\n", + " PeriodicSite: P (0.01445, 0.06311, 5.093) [0.0007127, 0.003108, 0.2507]\n", + " PeriodicSite: P (20.22, 0.4843, 15.32) [0.9955, 0.02384, 0.7542]\n", + " PeriodicSite: P (0.09813, 9.931, 5.328) [0.004828, 0.4889, 0.2623]\n", + " PeriodicSite: P (0.05687, 10.25, 15.35) [0.0028, 0.5045, 0.7557]\n", + " PeriodicSite: P (10.1, 0.2517, 4.838) [0.4973, 0.01239, 0.2382]\n", + " PeriodicSite: P (10.07, 0.002331, 15.44) [0.4958, 0.0001113, 0.7603]\n", + " PeriodicSite: P (10.07, 9.987, 5.152) [0.4958, 0.4917, 0.2537]\n", + " PeriodicSite: P (10.13, 10.56, 15.09) [0.4986, 0.5197, 0.7429]\n", + " PeriodicSite: P (0.1877, 5.504, 0.1921) [0.009239, 0.271, 0.009459]\n", + " PeriodicSite: P (20.05, 4.725, 10.24) [0.9873, 0.2326, 0.5042]\n", + " PeriodicSite: P (20.3, 15.07, 20.1) [0.9995, 0.7417, 0.9893]\n", + " PeriodicSite: P (20.24, 15.34, 10.1) [0.9966, 0.7554, 0.4973]\n", + " PeriodicSite: P (10.01, 5.504, 0.1159) [0.4927, 0.271, 0.005708]\n", + " PeriodicSite: P (10.06, 5.005, 10.2) [0.4953, 0.2464, 0.5024]\n", + " PeriodicSite: P (10.19, 15.23, 0.1053) [0.5016, 0.7498, 0.005189]\n", + " PeriodicSite: P (10.4, 15.27, 10.05) [0.512, 0.7516, 0.4948],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.217, 3.823, 5.291) [0.1092, 0.1882, 0.2605]\n", + " PeriodicSite: Li (0.285, 2.018, 18.24) [0.01404, 0.09933, 0.8978]\n", + " PeriodicSite: Li (3.198, 13.05, 10.14) [0.1575, 0.6422, 0.4993]\n", + " PeriodicSite: Li (0.05833, 13.36, 16.61) [0.00287, 0.6576, 0.8176]\n", + " PeriodicSite: Li (14.03, 0.6908, 7.01) [0.6906, 0.03401, 0.3451]\n", + " PeriodicSite: Li (12.14, 3.796, 15.52) [0.5977, 0.1869, 0.7641]\n", + " PeriodicSite: Li (15.77, 12.12, 3.45) [0.7763, 0.5966, 0.1699]\n", + " PeriodicSite: Li (16.72, 9.81, 16.94) [0.8232, 0.4829, 0.8339]\n", + " PeriodicSite: Li (2.995, 4.398, 8.949) [0.1474, 0.2165, 0.4406]\n", + " PeriodicSite: Li (4.483, 0.813, 17.38) [0.2207, 0.04003, 0.8554]\n", + " PeriodicSite: Li (5.492, 9.483, 7.442) [0.2704, 0.4668, 0.3664]\n", + " PeriodicSite: Li (7.055, 11.06, 14.57) [0.3473, 0.5444, 0.7174]\n", + " PeriodicSite: Li (11.51, 4.958, 6.948) [0.5669, 0.2441, 0.3421]\n", + " PeriodicSite: Li (13.52, 6.395, 18.85) [0.6658, 0.3148, 0.9282]\n", + " PeriodicSite: Li (10.95, 8.98, 12.66) [0.5393, 0.4421, 0.6234]\n", + " PeriodicSite: Li (10.29, 17.54, 17.3) [0.5067, 0.8636, 0.8515]\n", + " PeriodicSite: Li (3.244, 1.087, 5.491) [0.1597, 0.05353, 0.2703]\n", + " PeriodicSite: Li (2.409, 2.465, 15.72) [0.1186, 0.1214, 0.774]\n", + " PeriodicSite: Li (2.957, 11.04, 6.074) [0.1456, 0.5433, 0.2991]\n", + " PeriodicSite: Li (5.027, 12.35, 16.74) [0.2475, 0.608, 0.8242]\n", + " PeriodicSite: Li (12.02, 1.262, 9.352) [0.5916, 0.06213, 0.4604]\n", + " PeriodicSite: Li (10.18, 1.718, 18.69) [0.5014, 0.08459, 0.9203]\n", + " PeriodicSite: Li (13.75, 13.42, 9.895) [0.677, 0.6607, 0.4872]\n", + " PeriodicSite: Li (10.5, 11.92, 18.31) [0.5167, 0.587, 0.9014]\n", + " PeriodicSite: Li (0.05149, 2.159, 8.577) [0.002536, 0.1063, 0.4223]\n", + " PeriodicSite: Li (3.16, 3.257, 0.3107) [0.1556, 0.1603, 0.0153]\n", + " PeriodicSite: Li (0.1377, 12.86, 7.498) [0.006777, 0.6332, 0.3691]\n", + " PeriodicSite: Li (3.975, 12.87, 19.97) [0.1957, 0.6335, 0.9832]\n", + " PeriodicSite: Li (12.36, 2.537, 5.437) [0.6084, 0.1249, 0.2677]\n", + " PeriodicSite: Li (14.25, 0.79, 17.7) [0.7016, 0.03889, 0.8715]\n", + " PeriodicSite: Li (11.91, 10.39, 8.107) [0.5863, 0.5113, 0.3991]\n", + " PeriodicSite: Li (13.86, 15.12, 18.22) [0.6824, 0.7445, 0.897]\n", + " PeriodicSite: Li (6.227, 1.81, 5.036) [0.3066, 0.0891, 0.2479]\n", + " PeriodicSite: Li (2.225, 20.21, 18.83) [0.1095, 0.9952, 0.9269]\n", + " PeriodicSite: Li (4.764, 13.46, 7.907) [0.2345, 0.6625, 0.3893]\n", + " PeriodicSite: Li (1.416, 17.72, 15.22) [0.06972, 0.8723, 0.7492]\n", + " PeriodicSite: Li (15.4, 3.45, 8.445) [0.758, 0.1698, 0.4157]\n", + " PeriodicSite: Li (13.31, 2.943, 0.1438) [0.6551, 0.1449, 0.007081]\n", + " PeriodicSite: Li (16.51, 15.36, 8.134) [0.8129, 0.7561, 0.4004]\n", + " PeriodicSite: Li (13.93, 13.58, 0.4104) [0.6859, 0.6684, 0.02021]\n", + " PeriodicSite: Li (5.967, 0.3709, 2.729) [0.2937, 0.01826, 0.1344]\n", + " PeriodicSite: Li (4.979, 3.238, 18.21) [0.2451, 0.1594, 0.8965]\n", + " PeriodicSite: Li (2.261, 14.0, 5.959) [0.1113, 0.6893, 0.2933]\n", + " PeriodicSite: Li (20.06, 11.19, 2.118) [0.9877, 0.5506, 0.1043]\n", + " PeriodicSite: Li (10.29, 2.566, 7.565) [0.5067, 0.1263, 0.3724]\n", + " PeriodicSite: Li (17.24, 0.4719, 16.74) [0.8489, 0.02322, 0.8241]\n", + " PeriodicSite: Li (15.07, 12.17, 6.882) [0.7421, 0.5993, 0.3388]\n", + " PeriodicSite: Li (13.98, 12.01, 16.17) [0.6881, 0.5911, 0.7959]\n", + " PeriodicSite: Li (2.901, 10.27, 17.49) [0.1428, 0.5058, 0.861]\n", + " PeriodicSite: Li (1.907, 10.54, 9.485) [0.09389, 0.5189, 0.4669]\n", + " PeriodicSite: Li (3.374, 16.07, 19.85) [0.1661, 0.7911, 0.9773]\n", + " PeriodicSite: Li (1.906, 18.72, 9.7) [0.09384, 0.9217, 0.4775]\n", + " PeriodicSite: Li (13.66, 5.544, 2.092) [0.6725, 0.2729, 0.103]\n", + " PeriodicSite: Li (13.83, 8.892, 16.04) [0.6809, 0.4378, 0.7897]\n", + " PeriodicSite: Li (11.88, 15.03, 6.711) [0.5848, 0.7398, 0.3304]\n", + " PeriodicSite: Li (14.47, 18.21, 14.69) [0.7125, 0.8967, 0.7232]\n", + " PeriodicSite: Li (3.571, 6.69, 0.2134) [0.1758, 0.3294, 0.01051]\n", + " PeriodicSite: Li (3.003, 4.578, 11.95) [0.1479, 0.2254, 0.5882]\n", + " PeriodicSite: Li (4.952, 17.58, 2.087) [0.2438, 0.8657, 0.1028]\n", + " PeriodicSite: Li (4.671, 18.1, 14.64) [0.23, 0.891, 0.7206]\n", + " PeriodicSite: Li (17.12, 6.386, 0.6161) [0.8427, 0.3144, 0.03034]\n", + " PeriodicSite: Li (12.04, 5.166, 12.36) [0.593, 0.2543, 0.6083]\n", + " PeriodicSite: Li (12.89, 19.91, 4.014) [0.6345, 0.9804, 0.1976]\n", + " PeriodicSite: Li (11.09, 17.47, 14.04) [0.5461, 0.8603, 0.691]\n", + " PeriodicSite: Li (1.224, 8.229, 0.679) [0.06023, 0.4051, 0.03343]\n", + " PeriodicSite: Li (5.33, 7.36, 10.5) [0.2624, 0.3623, 0.517]\n", + " PeriodicSite: Li (3.074, 15.31, 2.409) [0.1513, 0.7536, 0.1186]\n", + " PeriodicSite: Li (4.319, 17.23, 11.97) [0.2126, 0.8483, 0.5894]\n", + " PeriodicSite: Li (12.05, 9.432, 0.5048) [0.5933, 0.4644, 0.02485]\n", + " PeriodicSite: Li (11.57, 7.385, 14.79) [0.5694, 0.3635, 0.7281]\n", + " PeriodicSite: Li (12.72, 15.7, 3.118) [0.626, 0.7731, 0.1535]\n", + " PeriodicSite: Li (13.89, 15.82, 12.62) [0.684, 0.779, 0.6211]\n", + " PeriodicSite: Li (19.97, 6.838, 4.084) [0.9832, 0.3367, 0.2011]\n", + " PeriodicSite: Li (17.09, 6.441, 9.836) [0.8412, 0.3171, 0.4842]\n", + " PeriodicSite: Li (0.8822, 16.99, 4.104) [0.04342, 0.8363, 0.202]\n", + " PeriodicSite: Li (0.3569, 18.59, 11.95) [0.01757, 0.915, 0.5885]\n", + " PeriodicSite: Li (10.44, 7.098, 2.961) [0.514, 0.3494, 0.1458]\n", + " PeriodicSite: Li (14.1, 9.171, 13.29) [0.6942, 0.4515, 0.6542]\n", + " PeriodicSite: Li (13.91, 16.88, 0.2253) [0.6849, 0.8309, 0.0111]\n", + " PeriodicSite: Li (7.527, 16.09, 15.93) [0.3706, 0.7921, 0.7844]\n", + " PeriodicSite: Li (3.776, 7.62, 4.613) [0.1859, 0.3751, 0.2271]\n", + " PeriodicSite: Li (0.8809, 7.711, 11.09) [0.04337, 0.3796, 0.5462]\n", + " PeriodicSite: Li (0.9176, 18.15, 0.8423) [0.04516, 0.8934, 0.04147]\n", + " PeriodicSite: Li (3.021, 20.24, 13.72) [0.1487, 0.9963, 0.6754]\n", + " PeriodicSite: Li (14.4, 9.54, 2.574) [0.7088, 0.4697, 0.1267]\n", + " PeriodicSite: Li (11.97, 8.021, 10.32) [0.5892, 0.3949, 0.5079]\n", + " PeriodicSite: Li (12.27, 19.3, 0.2492) [0.604, 0.95, 0.01227]\n", + " PeriodicSite: Li (13.5, 17.15, 10.27) [0.6646, 0.8442, 0.5057]\n", + " PeriodicSite: Li (5.104, 4.96, 2.457) [0.2513, 0.2442, 0.121]\n", + " PeriodicSite: Li (5.253, 8.743, 13.83) [0.2586, 0.4304, 0.681]\n", + " PeriodicSite: Li (3.249, 18.1, 4.677) [0.1599, 0.8913, 0.2303]\n", + " PeriodicSite: Li (1.24, 15.78, 12.95) [0.06103, 0.7769, 0.6374]\n", + " PeriodicSite: Li (13.01, 10.88, 5.014) [0.6404, 0.5356, 0.2468]\n", + " PeriodicSite: Li (14.67, 6.258, 12.15) [0.7223, 0.3081, 0.5981]\n", + " PeriodicSite: Li (14.99, 18.01, 3.43) [0.7382, 0.8864, 0.1689]\n", + " PeriodicSite: Li (15.69, 2.44, 14.43) [0.7724, 0.1201, 0.7104]\n", + " PeriodicSite: Li (9.284, 2.946, 4.074) [0.4571, 0.145, 0.2006]\n", + " PeriodicSite: Li (9.028, 2.897, 14.25) [0.4445, 0.1426, 0.7016]\n", + " PeriodicSite: Li (8.327, 10.34, 2.155) [0.4099, 0.5088, 0.1061]\n", + " PeriodicSite: Li (3.412, 11.21, 14.37) [0.168, 0.5521, 0.7076]\n", + " PeriodicSite: Li (17.28, 1.812, 5.074) [0.8507, 0.08921, 0.2498]\n", + " PeriodicSite: Li (12.97, 4.254, 9.559) [0.6384, 0.2094, 0.4706]\n", + " PeriodicSite: Li (17.63, 10.39, 0.7206) [0.8682, 0.5115, 0.03548]\n", + " PeriodicSite: Li (17.0, 9.814, 13.19) [0.8368, 0.4831, 0.6496]\n", + " PeriodicSite: Li (7.057, 18.11, 5.131) [0.3474, 0.8915, 0.2526]\n", + " PeriodicSite: Li (5.78, 2.452, 14.61) [0.2845, 0.1207, 0.7193]\n", + " PeriodicSite: Li (7.09, 13.27, 0.4371) [0.349, 0.6534, 0.02152]\n", + " PeriodicSite: Li (9.954, 13.46, 12.24) [0.49, 0.6625, 0.6026]\n", + " PeriodicSite: Li (15.84, 0.68, 2.902) [0.78, 0.03347, 0.1429]\n", + " PeriodicSite: Li (20.08, 1.67, 12.04) [0.9885, 0.0822, 0.5926]\n", + " PeriodicSite: Li (17.89, 11.75, 4.5) [0.8809, 0.5787, 0.2215]\n", + " PeriodicSite: Li (16.98, 14.9, 12.32) [0.836, 0.7337, 0.6065]\n", + " PeriodicSite: Li (7.949, 5.793, 6.104) [0.3914, 0.2852, 0.3005]\n", + " PeriodicSite: Li (9.491, 0.8032, 12.28) [0.4672, 0.03954, 0.6047]\n", + " PeriodicSite: Li (9.284, 12.75, 4.758) [0.4571, 0.6276, 0.2343]\n", + " PeriodicSite: Li (7.184, 13.79, 10.62) [0.3537, 0.6789, 0.5228]\n", + " PeriodicSite: Li (19.95, 2.911, 2.997) [0.9821, 0.1433, 0.1475]\n", + " PeriodicSite: Li (18.8, 3.569, 14.41) [0.9254, 0.1757, 0.7095]\n", + " PeriodicSite: Li (16.38, 14.6, 1.908) [0.8066, 0.7188, 0.09396]\n", + " PeriodicSite: Li (15.75, 12.1, 13.23) [0.7755, 0.5958, 0.6511]\n", + " PeriodicSite: Li (2.511, 20.0, 2.283) [0.1236, 0.9845, 0.1124]\n", + " PeriodicSite: Li (6.17, 0.3431, 12.78) [0.3038, 0.01689, 0.629]\n", + " PeriodicSite: Li (5.794, 14.08, 2.733) [0.2853, 0.6932, 0.1346]\n", + " PeriodicSite: Li (8.184, 7.3, 15.48) [0.4029, 0.3594, 0.762]\n", + " PeriodicSite: Li (17.85, 4.707, 4.238) [0.8788, 0.2317, 0.2087]\n", + " PeriodicSite: Li (17.04, 0.1798, 13.13) [0.839, 0.008847, 0.6466]\n", + " PeriodicSite: Li (17.08, 13.62, 19.83) [0.8411, 0.6704, 0.9762]\n", + " PeriodicSite: Li (19.58, 10.52, 12.23) [0.9637, 0.5178, 0.6019]\n", + " PeriodicSite: Li (6.946, 3.449, 0.4167) [0.3419, 0.1698, 0.02051]\n", + " PeriodicSite: Li (5.281, 2.599, 10.6) [0.26, 0.128, 0.5219]\n", + " PeriodicSite: Li (9.778, 12.52, 1.418) [0.4814, 0.6164, 0.06979]\n", + " PeriodicSite: Li (8.257, 10.6, 9.6) [0.4065, 0.5221, 0.4726]\n", + " PeriodicSite: Li (15.83, 4.02, 2.439) [0.7791, 0.1979, 0.1201]\n", + " PeriodicSite: Li (16.51, 3.209, 10.54) [0.8127, 0.158, 0.519]\n", + " PeriodicSite: Li (1.174, 12.26, 19.82) [0.05781, 0.6035, 0.9759]\n", + " PeriodicSite: Li (20.11, 13.47, 13.15) [0.9899, 0.663, 0.6475]\n", + " PeriodicSite: Li (8.598, 0.4212, 2.022) [0.4233, 0.02073, 0.09953]\n", + " PeriodicSite: Li (7.891, 2.434, 10.25) [0.3885, 0.1198, 0.5046]\n", + " PeriodicSite: Li (6.491, 11.68, 4.867) [0.3196, 0.5751, 0.2396]\n", + " PeriodicSite: Li (5.202, 13.99, 12.71) [0.2561, 0.6887, 0.6256]\n", + " PeriodicSite: Li (16.98, 3.073, 0.2631) [0.836, 0.1513, 0.01296]\n", + " PeriodicSite: Li (1.111, 6.808, 14.49) [0.05468, 0.3352, 0.7135]\n", + " PeriodicSite: Li (3.45, 15.79, 8.94) [0.1699, 0.7773, 0.4401]\n", + " PeriodicSite: Li (17.63, 13.06, 10.42) [0.8681, 0.6431, 0.5131]\n", + " PeriodicSite: Li (14.61, 7.711, 4.816) [0.7191, 0.3796, 0.2371]\n", + " PeriodicSite: Li (5.132, 8.217, 17.32) [0.2527, 0.4045, 0.8524]\n", + " PeriodicSite: Li (6.201, 17.04, 9.624) [0.3053, 0.8391, 0.4738]\n", + " PeriodicSite: Li (6.989, 15.7, 19.41) [0.3441, 0.773, 0.9555]\n", + " PeriodicSite: Li (15.42, 9.193, 7.22) [0.7593, 0.4526, 0.3555]\n", + " PeriodicSite: Li (2.694, 5.105, 18.65) [0.1326, 0.2513, 0.9183]\n", + " PeriodicSite: Li (17.59, 19.05, 5.714) [0.8659, 0.9377, 0.2813]\n", + " PeriodicSite: Li (19.68, 18.46, 18.65) [0.969, 0.9087, 0.918]\n", + " PeriodicSite: Li (6.995, 8.522, 5.088) [0.3444, 0.4195, 0.2505]\n", + " PeriodicSite: Li (9.447, 5.565, 17.4) [0.4651, 0.2739, 0.8565]\n", + " PeriodicSite: Li (8.008, 0.1016, 8.073) [0.3943, 0.005, 0.3974]\n", + " PeriodicSite: Li (7.088, 19.96, 16.23) [0.349, 0.9827, 0.7991]\n", + " PeriodicSite: Li (17.85, 9.461, 8.836) [0.879, 0.4658, 0.435]\n", + " PeriodicSite: Li (18.27, 6.892, 14.88) [0.8994, 0.3393, 0.7327]\n", + " PeriodicSite: Li (17.72, 19.58, 9.325) [0.8725, 0.9639, 0.4591]\n", + " PeriodicSite: Li (18.25, 16.49, 15.44) [0.8987, 0.8119, 0.7603]\n", + " PeriodicSite: Li (6.345, 5.141, 8.734) [0.3124, 0.2531, 0.43]\n", + " PeriodicSite: Li (6.612, 5.514, 18.02) [0.3255, 0.2715, 0.8873]\n", + " PeriodicSite: Li (9.643, 18.07, 8.877) [0.4747, 0.8897, 0.437]\n", + " PeriodicSite: Li (11.54, 13.69, 15.08) [0.568, 0.6738, 0.7422]\n", + " PeriodicSite: Li (20.09, 8.294, 7.878) [0.989, 0.4083, 0.3879]\n", + " PeriodicSite: Li (19.11, 5.719, 17.78) [0.9408, 0.2816, 0.8752]\n", + " PeriodicSite: Li (16.72, 17.01, 10.28) [0.8229, 0.8372, 0.5059]\n", + " PeriodicSite: Li (16.73, 17.54, 20.28) [0.8238, 0.8633, 0.9983]\n", + " PeriodicSite: Li (8.851, 7.574, 9.56) [0.4358, 0.3729, 0.4706]\n", + " PeriodicSite: Li (6.831, 7.287, 0.07384) [0.3363, 0.3587, 0.003638]\n", + " PeriodicSite: Li (4.599, 19.39, 6.841) [0.2264, 0.9545, 0.3368]\n", + " PeriodicSite: Li (8.775, 14.51, 3.047) [0.432, 0.7144, 0.15]\n", + " PeriodicSite: Li (15.08, 6.726, 8.075) [0.7426, 0.3311, 0.3975]\n", + " PeriodicSite: Li (19.57, 8.991, 17.71) [0.9634, 0.4426, 0.8721]\n", + " PeriodicSite: Li (15.22, 18.07, 6.821) [0.7493, 0.8896, 0.3358]\n", + " PeriodicSite: Li (15.75, 18.6, 16.89) [0.7753, 0.9157, 0.8317]\n", + " PeriodicSite: Li (6.555, 4.521, 12.48) [0.3227, 0.2226, 0.6142]\n", + " PeriodicSite: Li (7.008, 10.16, 17.22) [0.345, 0.5002, 0.8479]\n", + " PeriodicSite: Li (10.04, 17.53, 6.313) [0.4945, 0.8631, 0.3108]\n", + " PeriodicSite: Li (10.69, 17.87, 2.462) [0.5262, 0.8795, 0.1212]\n", + " PeriodicSite: Li (17.25, 8.237, 5.073) [0.8494, 0.4055, 0.2498]\n", + " PeriodicSite: Li (15.13, 3.442, 18.57) [0.7446, 0.1694, 0.9141]\n", + " PeriodicSite: Li (19.44, 16.78, 8.058) [0.9569, 0.8262, 0.3967]\n", + " PeriodicSite: Li (18.77, 0.3938, 2.086) [0.9243, 0.01938, 0.1027]\n", + " PeriodicSite: Li (3.805, 9.939, 3.276) [0.1873, 0.4893, 0.1613]\n", + " PeriodicSite: Li (9.552, 8.684, 18.54) [0.4702, 0.4275, 0.9126]\n", + " PeriodicSite: Li (8.304, 15.7, 7.047) [0.4088, 0.7729, 0.347]\n", + " PeriodicSite: Li (8.047, 19.66, 19.25) [0.3962, 0.9679, 0.9476]\n", + " PeriodicSite: Li (18.73, 5.373, 7.243) [0.922, 0.2645, 0.3566]\n", + " PeriodicSite: Li (17.32, 12.78, 15.06) [0.8528, 0.6293, 0.7412]\n", + " PeriodicSite: Li (19.0, 14.7, 3.282) [0.9355, 0.7239, 0.1616]\n", + " PeriodicSite: Li (13.49, 0.5248, 13.49) [0.6641, 0.02583, 0.6641]\n", + " PeriodicSite: Cl (7.521, 12.7, 12.44) [0.3702, 0.6251, 0.6122]\n", + " PeriodicSite: Cl (2.745, 12.69, 17.88) [0.1351, 0.6246, 0.8804]\n", + " PeriodicSite: Cl (12.83, 18.13, 12.95) [0.6318, 0.8926, 0.6374]\n", + " PeriodicSite: Cl (17.6, 7.519, 17.37) [0.8666, 0.3702, 0.8551]\n", + " PeriodicSite: Cl (7.432, 2.448, 2.403) [0.3659, 0.1205, 0.1183]\n", + " PeriodicSite: Cl (7.075, 7.649, 8.024) [0.3483, 0.3766, 0.395]\n", + " PeriodicSite: Cl (12.83, 12.72, 7.567) [0.6315, 0.6263, 0.3725]\n", + " PeriodicSite: Cl (2.678, 7.631, 2.594) [0.1318, 0.3757, 0.1277]\n", + " PeriodicSite: Cl (2.271, 6.874, 12.69) [0.1118, 0.3384, 0.6248]\n", + " PeriodicSite: Cl (12.48, 13.08, 17.36) [0.6144, 0.6441, 0.8549]\n", + " PeriodicSite: Cl (17.69, 18.43, 17.99) [0.871, 0.9074, 0.8859]\n", + " PeriodicSite: Cl (2.325, 2.619, 7.275) [0.1145, 0.1289, 0.3581]\n", + " PeriodicSite: Cl (12.83, 2.496, 18.07) [0.6315, 0.1229, 0.8896]\n", + " PeriodicSite: Cl (12.62, 7.733, 2.477) [0.6211, 0.3807, 0.1219]\n", + " PeriodicSite: Cl (17.81, 2.387, 12.44) [0.877, 0.1175, 0.6125]\n", + " PeriodicSite: Cl (7.912, 18.13, 17.63) [0.3895, 0.8927, 0.8681]\n", + " PeriodicSite: Cl (0.2923, 0.03464, 0.1571) [0.01439, 0.001705, 0.007733]\n", + " PeriodicSite: Cl (20.23, 20.16, 10.29) [0.996, 0.9925, 0.5065]\n", + " PeriodicSite: Cl (20.24, 10.25, 20.27) [0.9964, 0.5045, 0.9979]\n", + " PeriodicSite: Cl (20.26, 9.654, 10.33) [0.9977, 0.4753, 0.5087]\n", + " PeriodicSite: Cl (10.07, 20.14, 19.99) [0.496, 0.9917, 0.984]\n", + " PeriodicSite: Cl (9.645, 0.4127, 9.747) [0.4748, 0.02031, 0.4799]\n", + " PeriodicSite: Cl (10.06, 10.56, 20.27) [0.4952, 0.5201, 0.9979]\n", + " PeriodicSite: Cl (10.28, 9.631, 10.28) [0.5062, 0.4742, 0.5062]\n", + " PeriodicSite: Cl (19.79, 5.1, 5.172) [0.9741, 0.2511, 0.2546]\n", + " PeriodicSite: Cl (19.87, 5.2, 15.43) [0.9785, 0.256, 0.7598]\n", + " PeriodicSite: Cl (0.3602, 14.8, 5.258) [0.01773, 0.7285, 0.2589]\n", + " PeriodicSite: Cl (20.04, 15.3, 14.85) [0.9864, 0.7534, 0.731]\n", + " PeriodicSite: Cl (10.15, 5.019, 5.159) [0.4997, 0.2471, 0.254]\n", + " PeriodicSite: Cl (10.14, 5.434, 15.06) [0.4991, 0.2675, 0.7412]\n", + " PeriodicSite: Cl (10.03, 15.4, 5.093) [0.4937, 0.7579, 0.2508]\n", + " PeriodicSite: Cl (10.23, 15.74, 15.38) [0.5037, 0.7751, 0.757]\n", + " PeriodicSite: S (5.084, 19.92, 4.679) [0.2503, 0.9805, 0.2304]\n", + " PeriodicSite: S (4.826, 0.2068, 15.0) [0.2376, 0.01018, 0.7383]\n", + " PeriodicSite: S (5.161, 9.765, 5.223) [0.2541, 0.4807, 0.2572]\n", + " PeriodicSite: S (5.216, 10.28, 15.8) [0.2568, 0.506, 0.7779]\n", + " PeriodicSite: S (15.19, 20.08, 5.147) [0.7478, 0.9885, 0.2534]\n", + " PeriodicSite: S (15.27, 0.09406, 15.07) [0.7518, 0.004625, 0.7417]\n", + " PeriodicSite: S (15.27, 10.05, 4.894) [0.7518, 0.4946, 0.241]\n", + " PeriodicSite: S (15.37, 10.51, 15.11) [0.7565, 0.5172, 0.7437]\n", + " PeriodicSite: S (5.033, 4.861, 0.002488) [0.2478, 0.2393, 0.0001243]\n", + " PeriodicSite: S (4.813, 4.95, 10.55) [0.237, 0.2437, 0.5195]\n", + " PeriodicSite: S (5.087, 14.81, 0.5862) [0.2504, 0.7289, 0.02886]\n", + " PeriodicSite: S (4.989, 14.88, 10.24) [0.2456, 0.7328, 0.5043]\n", + " PeriodicSite: S (15.13, 4.753, 0.08484) [0.7449, 0.234, 0.004181]\n", + " PeriodicSite: S (15.15, 5.147, 9.768) [0.746, 0.2534, 0.4809]\n", + " PeriodicSite: S (15.43, 15.08, 20.14) [0.7595, 0.7425, 0.9917]\n", + " PeriodicSite: S (15.46, 15.07, 10.59) [0.7612, 0.7417, 0.5212]\n", + " PeriodicSite: S (8.831, 4.237, 8.667) [0.4348, 0.2086, 0.4267]\n", + " PeriodicSite: S (9.005, 3.929, 19.27) [0.4433, 0.1934, 0.9487]\n", + " PeriodicSite: S (9.333, 14.3, 8.913) [0.4594, 0.7042, 0.4388]\n", + " PeriodicSite: S (8.959, 14.18, 19.43) [0.4411, 0.6983, 0.9566]\n", + " PeriodicSite: S (18.58, 3.816, 9.325) [0.9149, 0.1878, 0.4591]\n", + " PeriodicSite: S (18.94, 4.244, 19.55) [0.9323, 0.2089, 0.9622]\n", + " PeriodicSite: S (18.94, 14.12, 8.658) [0.9323, 0.6952, 0.4263]\n", + " PeriodicSite: S (19.26, 13.87, 18.82) [0.948, 0.683, 0.9266]\n", + " PeriodicSite: S (4.256, 1.18, 0.9266) [0.2095, 0.0581, 0.04562]\n", + " PeriodicSite: S (3.808, 0.7665, 11.35) [0.1875, 0.03774, 0.5586]\n", + " PeriodicSite: S (3.581, 11.29, 1.244) [0.1763, 0.5561, 0.06126]\n", + " PeriodicSite: S (3.725, 11.41, 11.69) [0.1834, 0.5616, 0.5756]\n", + " PeriodicSite: S (13.89, 0.9684, 1.221) [0.684, 0.04767, 0.0601]\n", + " PeriodicSite: S (14.04, 1.86, 11.32) [0.6914, 0.09157, 0.5571]\n", + " PeriodicSite: S (13.8, 11.27, 1.064) [0.6794, 0.5548, 0.05237]\n", + " PeriodicSite: S (14.03, 11.26, 11.44) [0.6908, 0.5546, 0.5631]\n", + " PeriodicSite: S (5.894, 0.9463, 8.846) [0.2902, 0.04659, 0.4355]\n", + " PeriodicSite: S (6.343, 1.194, 18.69) [0.3123, 0.05879, 0.9199]\n", + " PeriodicSite: S (5.975, 11.55, 9.179) [0.2941, 0.5685, 0.4519]\n", + " PeriodicSite: S (6.266, 11.2, 19.6) [0.3085, 0.5512, 0.9648]\n", + " PeriodicSite: S (16.34, 1.323, 9.018) [0.8046, 0.06513, 0.444]\n", + " PeriodicSite: S (16.37, 1.126, 19.08) [0.8059, 0.05543, 0.9391]\n", + " PeriodicSite: S (16.37, 11.37, 9.021) [0.806, 0.5599, 0.4441]\n", + " PeriodicSite: S (16.19, 11.23, 18.87) [0.7971, 0.5528, 0.9289]\n", + " PeriodicSite: S (1.104, 4.306, 1.528) [0.05435, 0.212, 0.07521]\n", + " PeriodicSite: S (1.273, 3.551, 10.85) [0.06268, 0.1748, 0.534]\n", + " PeriodicSite: S (1.49, 14.3, 0.669) [0.07335, 0.7038, 0.03293]\n", + " PeriodicSite: S (1.013, 14.04, 11.33) [0.04986, 0.6912, 0.558]\n", + " PeriodicSite: S (11.62, 4.193, 1.009) [0.5723, 0.2064, 0.04966]\n", + " PeriodicSite: S (11.09, 3.429, 10.96) [0.5462, 0.1688, 0.5398]\n", + " PeriodicSite: S (11.26, 14.35, 1.612) [0.5545, 0.7063, 0.07935]\n", + " PeriodicSite: S (11.81, 14.65, 11.16) [0.5816, 0.7215, 0.5496]\n", + " PeriodicSite: S (2.793, 2.596, 18.17) [0.1375, 0.1278, 0.8946]\n", + " PeriodicSite: S (2.597, 12.45, 7.95) [0.1279, 0.6129, 0.3914]\n", + " PeriodicSite: S (12.59, 2.669, 7.65) [0.6199, 0.1314, 0.3766]\n", + " PeriodicSite: S (9.173, 8.795, 4.014) [0.4516, 0.433, 0.1976]\n", + " PeriodicSite: S (8.958, 9.151, 13.97) [0.441, 0.4505, 0.6879]\n", + " PeriodicSite: S (8.881, 19.08, 3.886) [0.4372, 0.9391, 0.1913]\n", + " PeriodicSite: S (9.116, 19.33, 14.22) [0.4488, 0.9515, 0.7001]\n", + " PeriodicSite: S (19.19, 8.993, 4.04) [0.9447, 0.4427, 0.1989]\n", + " PeriodicSite: S (19.22, 8.923, 13.97) [0.9463, 0.4393, 0.6879]\n", + " PeriodicSite: S (19.19, 19.16, 3.959) [0.9446, 0.9435, 0.1949]\n", + " PeriodicSite: S (18.96, 19.54, 14.1) [0.9335, 0.9621, 0.6939]\n", + " PeriodicSite: S (3.508, 5.831, 6.157) [0.1727, 0.287, 0.3031]\n", + " PeriodicSite: S (3.769, 6.116, 16.58) [0.1856, 0.3011, 0.8162]\n", + " PeriodicSite: S (3.817, 16.31, 6.499) [0.1879, 0.8027, 0.32]\n", + " PeriodicSite: S (3.535, 16.73, 16.46) [0.174, 0.8235, 0.8106]\n", + " PeriodicSite: S (13.54, 6.066, 6.129) [0.6668, 0.2986, 0.3017]\n", + " PeriodicSite: S (13.67, 6.28, 16.46) [0.673, 0.3091, 0.8102]\n", + " PeriodicSite: S (13.94, 16.17, 5.711) [0.6865, 0.7958, 0.2812]\n", + " PeriodicSite: S (14.03, 16.52, 16.38) [0.6909, 0.8132, 0.8064]\n", + " PeriodicSite: S (6.298, 6.058, 4.128) [0.3101, 0.2982, 0.2032]\n", + " PeriodicSite: S (6.088, 6.634, 14.02) [0.2997, 0.3266, 0.6902]\n", + " PeriodicSite: S (6.395, 16.19, 4.107) [0.3148, 0.7972, 0.2022]\n", + " PeriodicSite: S (5.743, 16.14, 14.0) [0.2827, 0.7948, 0.6892]\n", + " PeriodicSite: S (15.97, 6.276, 3.904) [0.7863, 0.309, 0.1922]\n", + " PeriodicSite: S (16.21, 6.482, 14.01) [0.798, 0.3191, 0.6898]\n", + " PeriodicSite: S (16.67, 16.3, 3.766) [0.8205, 0.8026, 0.1854]\n", + " PeriodicSite: S (16.39, 16.76, 14.15) [0.8068, 0.8253, 0.6967]\n", + " PeriodicSite: S (1.342, 8.623, 6.198) [0.06605, 0.4245, 0.3051]\n", + " PeriodicSite: S (1.183, 8.755, 16.27) [0.05824, 0.431, 0.8011]\n", + " PeriodicSite: S (1.615, 19.03, 5.956) [0.07949, 0.9368, 0.2932]\n", + " PeriodicSite: S (0.8173, 19.66, 16.67) [0.04023, 0.9678, 0.8206]\n", + " PeriodicSite: S (11.65, 9.097, 5.929) [0.5738, 0.4479, 0.2919]\n", + " PeriodicSite: S (11.22, 9.603, 16.34) [0.5521, 0.4727, 0.8042]\n", + " PeriodicSite: S (11.35, 19.59, 6.207) [0.559, 0.9643, 0.3056]\n", + " PeriodicSite: S (11.75, 19.29, 16.15) [0.5783, 0.9495, 0.7953]\n", + " PeriodicSite: S (2.611, 17.68, 2.407) [0.1285, 0.8706, 0.1185]\n", + " PeriodicSite: S (2.305, 17.88, 12.89) [0.1135, 0.8802, 0.6348]\n", + " PeriodicSite: S (12.63, 7.435, 12.7) [0.622, 0.3661, 0.6254]\n", + " PeriodicSite: S (12.93, 17.97, 2.164) [0.6365, 0.8846, 0.1065]\n", + " PeriodicSite: S (4.3, 3.35, 4.148) [0.2117, 0.1649, 0.2042]\n", + " PeriodicSite: S (3.951, 3.893, 14.24) [0.1945, 0.1916, 0.701]\n", + " PeriodicSite: S (3.962, 13.89, 4.313) [0.1951, 0.6837, 0.2124]\n", + " PeriodicSite: S (3.584, 13.73, 14.59) [0.1765, 0.6758, 0.7184]\n", + " PeriodicSite: S (13.95, 3.514, 3.934) [0.6868, 0.173, 0.1937]\n", + " PeriodicSite: S (13.86, 4.065, 14.03) [0.6826, 0.2001, 0.6906]\n", + " PeriodicSite: S (14.26, 13.88, 3.46) [0.702, 0.6832, 0.1703]\n", + " PeriodicSite: S (14.24, 14.06, 14.27) [0.7011, 0.692, 0.7026]\n", + " PeriodicSite: S (8.728, 1.372, 5.845) [0.4297, 0.06752, 0.2878]\n", + " PeriodicSite: S (9.289, 1.367, 16.57) [0.4573, 0.06728, 0.8158]\n", + " PeriodicSite: S (9.259, 11.0, 6.54) [0.4558, 0.5417, 0.322]\n", + " PeriodicSite: S (8.866, 11.59, 16.13) [0.4365, 0.5705, 0.7943]\n", + " PeriodicSite: S (19.28, 0.8401, 6.49) [0.9494, 0.04135, 0.3195]\n", + " PeriodicSite: S (19.01, 1.951, 16.23) [0.9357, 0.09606, 0.7989]\n", + " PeriodicSite: S (19.17, 10.87, 6.764) [0.9439, 0.535, 0.333]\n", + " PeriodicSite: S (18.92, 11.19, 16.5) [0.9316, 0.5508, 0.8122]\n", + " PeriodicSite: S (1.245, 1.209, 3.89) [0.06128, 0.05951, 0.1915]\n", + " PeriodicSite: S (0.9895, 1.327, 14.04) [0.04872, 0.06531, 0.691]\n", + " PeriodicSite: S (1.25, 11.45, 4.239) [0.06151, 0.5638, 0.2087]\n", + " PeriodicSite: S (0.9007, 11.44, 13.9) [0.04434, 0.5631, 0.6841]\n", + " PeriodicSite: S (11.08, 1.277, 3.41) [0.5456, 0.06288, 0.1679]\n", + " PeriodicSite: S (11.35, 1.407, 13.98) [0.559, 0.06924, 0.6882]\n", + " PeriodicSite: S (11.06, 11.54, 3.773) [0.5444, 0.5679, 0.1858]\n", + " PeriodicSite: S (11.36, 11.62, 13.73) [0.5593, 0.5719, 0.6762]\n", + " PeriodicSite: S (6.442, 3.796, 6.665) [0.3171, 0.1869, 0.3281]\n", + " PeriodicSite: S (6.363, 4.092, 16.31) [0.3132, 0.2014, 0.8029]\n", + " PeriodicSite: S (6.534, 14.03, 6.355) [0.3217, 0.6906, 0.3129]\n", + " PeriodicSite: S (6.084, 14.54, 16.91) [0.2995, 0.7158, 0.8325]\n", + " PeriodicSite: S (16.14, 3.96, 6.376) [0.7944, 0.1949, 0.3139]\n", + " PeriodicSite: S (16.27, 3.949, 16.32) [0.8009, 0.1944, 0.8037]\n", + " PeriodicSite: S (16.33, 13.82, 6.228) [0.8041, 0.6806, 0.3066]\n", + " PeriodicSite: S (16.82, 14.54, 16.46) [0.828, 0.7157, 0.8106]\n", + " PeriodicSite: S (7.4, 2.244, 12.58) [0.3643, 0.1105, 0.6195]\n", + " PeriodicSite: S (7.747, 12.59, 2.869) [0.3814, 0.6196, 0.1412]\n", + " PeriodicSite: S (17.67, 2.747, 2.677) [0.8698, 0.1352, 0.1318]\n", + " PeriodicSite: S (17.61, 12.51, 2.128) [0.867, 0.6159, 0.1048]\n", + " PeriodicSite: S (17.83, 12.29, 12.7) [0.8776, 0.6051, 0.625]\n", + " PeriodicSite: S (3.841, 9.005, 9.332) [0.1891, 0.4433, 0.4594]\n", + " PeriodicSite: S (3.86, 8.774, 19.47) [0.1901, 0.4319, 0.9584]\n", + " PeriodicSite: S (4.098, 18.65, 8.803) [0.2017, 0.9183, 0.4334]\n", + " PeriodicSite: S (4.161, 18.93, 18.98) [0.2049, 0.9322, 0.9344]\n", + " PeriodicSite: S (13.79, 9.194, 9.058) [0.6789, 0.4526, 0.4459]\n", + " PeriodicSite: S (13.73, 8.91, 18.87) [0.6759, 0.4386, 0.9289]\n", + " PeriodicSite: S (13.73, 19.62, 9.12) [0.6758, 0.9661, 0.449]\n", + " PeriodicSite: S (14.37, 19.05, 18.87) [0.7075, 0.9376, 0.9289]\n", + " PeriodicSite: S (8.87, 6.371, 1.159) [0.4367, 0.3136, 0.05706]\n", + " PeriodicSite: S (9.098, 6.173, 11.41) [0.4479, 0.3039, 0.5619]\n", + " PeriodicSite: S (8.951, 16.53, 1.237) [0.4407, 0.8139, 0.06093]\n", + " PeriodicSite: S (9.397, 16.74, 11.08) [0.4626, 0.8242, 0.5455]\n", + " PeriodicSite: S (19.07, 6.539, 1.679) [0.9391, 0.3219, 0.08266]\n", + " PeriodicSite: S (19.32, 5.993, 11.5) [0.9513, 0.295, 0.5659]\n", + " PeriodicSite: S (19.03, 16.19, 0.9218) [0.9371, 0.7973, 0.04539]\n", + " PeriodicSite: S (18.98, 16.2, 11.57) [0.9342, 0.7978, 0.5694]\n", + " PeriodicSite: S (0.9165, 6.108, 8.629) [0.04512, 0.3007, 0.4248]\n", + " PeriodicSite: S (1.014, 6.527, 19.43) [0.04993, 0.3213, 0.9564]\n", + " PeriodicSite: S (1.108, 16.52, 9.141) [0.05452, 0.8131, 0.45]\n", + " PeriodicSite: S (0.9386, 16.79, 18.74) [0.0462, 0.8266, 0.9227]\n", + " PeriodicSite: S (11.38, 6.085, 8.927) [0.5602, 0.2996, 0.4395]\n", + " PeriodicSite: S (11.02, 6.535, 18.98) [0.5428, 0.3217, 0.9342]\n", + " PeriodicSite: S (11.7, 16.81, 8.454) [0.5759, 0.8274, 0.4162]\n", + " PeriodicSite: S (11.44, 16.49, 19.21) [0.563, 0.812, 0.9459]\n", + " PeriodicSite: S (5.848, 8.676, 1.656) [0.2879, 0.4271, 0.08154]\n", + " PeriodicSite: S (6.455, 9.572, 11.57) [0.3178, 0.4712, 0.5698]\n", + " PeriodicSite: S (6.615, 19.21, 0.8897) [0.3256, 0.9456, 0.0438]\n", + " PeriodicSite: S (6.163, 18.72, 11.26) [0.3034, 0.9218, 0.5541]\n", + " PeriodicSite: S (16.01, 8.826, 1.067) [0.7882, 0.4345, 0.05255]\n", + " PeriodicSite: S (16.24, 8.732, 11.25) [0.7997, 0.4299, 0.5539]\n", + " PeriodicSite: S (16.66, 19.42, 1.147) [0.8203, 0.9561, 0.05648]\n", + " PeriodicSite: S (15.97, 19.2, 11.41) [0.786, 0.9451, 0.5617]\n", + " PeriodicSite: S (7.402, 7.833, 17.72) [0.3644, 0.3856, 0.8724]\n", + " PeriodicSite: S (7.923, 17.97, 7.547) [0.3901, 0.8848, 0.3716]\n", + " PeriodicSite: S (17.34, 7.703, 7.639) [0.8537, 0.3792, 0.3761]\n", + " PeriodicSite: S (17.26, 17.56, 7.931) [0.85, 0.8643, 0.3905]\n", + " PeriodicSite: P (5.36, 20.31, 19.99) [0.2639, 0.9999, 0.9839]\n", + " PeriodicSite: P (5.019, 19.96, 10.16) [0.2471, 0.9829, 0.5002]\n", + " PeriodicSite: P (4.952, 10.01, 0.4242) [0.2438, 0.4926, 0.02088]\n", + " PeriodicSite: P (4.912, 10.35, 10.52) [0.2418, 0.5096, 0.5177]\n", + " PeriodicSite: P (15.2, 0.003529, 20.28) [0.7485, 0.0001683, 0.9986]\n", + " PeriodicSite: P (14.99, 0.3462, 10.36) [0.7381, 0.01704, 0.5099]\n", + " PeriodicSite: P (14.96, 9.926, 20.1) [0.7366, 0.4887, 0.9895]\n", + " PeriodicSite: P (15.21, 10.12, 10.28) [0.7486, 0.4982, 0.5061]\n", + " PeriodicSite: P (5.078, 4.832, 5.347) [0.25, 0.2379, 0.2632]\n", + " PeriodicSite: P (5.081, 5.324, 15.33) [0.2501, 0.2621, 0.7549]\n", + " PeriodicSite: P (5.161, 15.21, 5.359) [0.2541, 0.7489, 0.2638]\n", + " PeriodicSite: P (4.614, 15.32, 15.63) [0.2272, 0.754, 0.7696]\n", + " PeriodicSite: P (14.89, 4.903, 5.087) [0.733, 0.2414, 0.2504]\n", + " PeriodicSite: P (15.08, 5.189, 15.26) [0.7422, 0.2554, 0.7515]\n", + " PeriodicSite: P (15.35, 14.96, 4.883) [0.7555, 0.7365, 0.2404]\n", + " PeriodicSite: P (15.37, 15.36, 15.31) [0.7567, 0.7562, 0.7537]\n", + " PeriodicSite: P (0.154, 20.21, 5.094) [0.007572, 0.9948, 0.2508]\n", + " PeriodicSite: P (20.05, 0.3491, 15.27) [0.9868, 0.01718, 0.752]\n", + " PeriodicSite: P (0.09598, 10.06, 5.307) [0.004722, 0.4952, 0.2612]\n", + " PeriodicSite: P (20.24, 10.16, 15.2) [0.9965, 0.5, 0.7484]\n", + " PeriodicSite: P (10.14, 0.1215, 4.933) [0.4992, 0.005977, 0.2429]\n", + " PeriodicSite: P (10.41, 0.1286, 15.41) [0.5125, 0.00633, 0.7584]\n", + " PeriodicSite: P (10.3, 10.14, 5.07) [0.5069, 0.499, 0.2496]\n", + " PeriodicSite: P (10.17, 10.46, 14.93) [0.5008, 0.515, 0.7353]\n", + " PeriodicSite: P (20.17, 5.345, 0.4313) [0.9928, 0.2631, 0.02124]\n", + " PeriodicSite: P (20.11, 4.989, 10.04) [0.9902, 0.2456, 0.4941]\n", + " PeriodicSite: P (20.3, 15.23, 19.86) [0.9995, 0.7499, 0.9779]\n", + " PeriodicSite: P (20.12, 15.22, 10.18) [0.9903, 0.7495, 0.5011]\n", + " PeriodicSite: P (10.06, 5.207, 20.31) [0.4952, 0.2563, 0.9998]\n", + " PeriodicSite: P (10.17, 4.954, 10.05) [0.5005, 0.2439, 0.4948]\n", + " PeriodicSite: P (10.24, 15.42, 0.1719) [0.5042, 0.759, 0.008468]\n", + " PeriodicSite: P (10.58, 15.66, 9.795) [0.5207, 0.7707, 0.4822],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.824, 3.794, 5.405) [0.08978, 0.1868, 0.2661]\n", + " PeriodicSite: Li (0.1481, 2.549, 18.08) [0.007297, 0.1255, 0.8901]\n", + " PeriodicSite: Li (2.777, 14.02, 9.931) [0.1367, 0.6901, 0.4889]\n", + " PeriodicSite: Li (0.5287, 13.41, 16.32) [0.02602, 0.6604, 0.8033]\n", + " PeriodicSite: Li (13.48, 0.5251, 6.845) [0.6637, 0.02585, 0.337]\n", + " PeriodicSite: Li (12.3, 3.678, 15.89) [0.6057, 0.1811, 0.7825]\n", + " PeriodicSite: Li (15.69, 11.96, 2.874) [0.7725, 0.589, 0.1415]\n", + " PeriodicSite: Li (17.13, 9.747, 16.83) [0.8432, 0.4799, 0.8286]\n", + " PeriodicSite: Li (3.087, 4.629, 8.549) [0.152, 0.2279, 0.4209]\n", + " PeriodicSite: Li (4.077, 0.4798, 17.09) [0.2007, 0.02362, 0.8412]\n", + " PeriodicSite: Li (4.69, 8.726, 7.505) [0.2309, 0.4296, 0.3695]\n", + " PeriodicSite: Li (7.317, 11.1, 14.83) [0.3602, 0.5462, 0.73]\n", + " PeriodicSite: Li (12.08, 4.882, 7.096) [0.5946, 0.2404, 0.3493]\n", + " PeriodicSite: Li (13.95, 6.358, 18.74) [0.6867, 0.313, 0.9224]\n", + " PeriodicSite: Li (11.07, 9.482, 12.71) [0.5448, 0.4668, 0.6257]\n", + " PeriodicSite: Li (10.23, 17.49, 17.49) [0.5038, 0.8612, 0.8612]\n", + " PeriodicSite: Li (3.279, 0.8323, 5.502) [0.1614, 0.04097, 0.2709]\n", + " PeriodicSite: Li (3.299, 2.033, 15.42) [0.1624, 0.1001, 0.759]\n", + " PeriodicSite: Li (3.175, 11.52, 5.886) [0.1563, 0.5672, 0.2898]\n", + " PeriodicSite: Li (4.841, 12.46, 16.31) [0.2383, 0.6133, 0.8031]\n", + " PeriodicSite: Li (12.12, 1.548, 9.66) [0.5965, 0.07621, 0.4756]\n", + " PeriodicSite: Li (9.705, 1.956, 19.15) [0.4778, 0.09632, 0.9426]\n", + " PeriodicSite: Li (13.82, 13.15, 9.887) [0.6802, 0.6476, 0.4867]\n", + " PeriodicSite: Li (10.78, 12.19, 18.32) [0.5309, 0.6003, 0.9019]\n", + " PeriodicSite: Li (0.2864, 2.406, 8.1) [0.0141, 0.1184, 0.3988]\n", + " PeriodicSite: Li (3.194, 3.184, 20.21) [0.1572, 0.1567, 0.9949]\n", + " PeriodicSite: Li (0.1835, 12.81, 6.267) [0.009027, 0.6308, 0.3085]\n", + " PeriodicSite: Li (4.135, 12.79, 19.78) [0.2036, 0.6296, 0.9738]\n", + " PeriodicSite: Li (12.22, 2.947, 5.273) [0.6017, 0.1451, 0.2596]\n", + " PeriodicSite: Li (13.37, 0.6016, 16.94) [0.658, 0.02961, 0.8341]\n", + " PeriodicSite: Li (11.43, 10.04, 8.248) [0.5629, 0.4941, 0.406]\n", + " PeriodicSite: Li (13.38, 15.19, 18.66) [0.6585, 0.7479, 0.9188]\n", + " PeriodicSite: Li (6.453, 1.782, 5.586) [0.3177, 0.08773, 0.275]\n", + " PeriodicSite: Li (1.97, 0.3346, 19.32) [0.09697, 0.01647, 0.9511]\n", + " PeriodicSite: Li (4.819, 13.47, 8.453) [0.2372, 0.6633, 0.4162]\n", + " PeriodicSite: Li (1.662, 17.31, 15.45) [0.08182, 0.8522, 0.7604]\n", + " PeriodicSite: Li (15.73, 3.458, 8.365) [0.7743, 0.1702, 0.4118]\n", + " PeriodicSite: Li (13.14, 3.281, 20.24) [0.6469, 0.1615, 0.9965]\n", + " PeriodicSite: Li (16.71, 15.67, 8.068) [0.8226, 0.7714, 0.3972]\n", + " PeriodicSite: Li (13.59, 13.89, 1.099) [0.6688, 0.6837, 0.05413]\n", + " PeriodicSite: Li (6.173, 0.5144, 2.975) [0.3039, 0.02532, 0.1464]\n", + " PeriodicSite: Li (4.899, 2.892, 18.23) [0.2412, 0.1424, 0.8973]\n", + " PeriodicSite: Li (2.486, 14.68, 5.925) [0.1224, 0.7227, 0.2917]\n", + " PeriodicSite: Li (20.15, 11.91, 2.229) [0.9922, 0.5863, 0.1097]\n", + " PeriodicSite: Li (10.42, 2.102, 7.875) [0.5131, 0.1035, 0.3877]\n", + " PeriodicSite: Li (16.99, 0.8228, 16.9) [0.8364, 0.0405, 0.8321]\n", + " PeriodicSite: Li (14.82, 12.19, 7.03) [0.7297, 0.6001, 0.3461]\n", + " PeriodicSite: Li (14.28, 12.14, 15.99) [0.703, 0.5977, 0.7873]\n", + " PeriodicSite: Li (3.064, 10.15, 16.87) [0.1509, 0.4998, 0.8304]\n", + " PeriodicSite: Li (2.055, 11.05, 9.183) [0.1012, 0.5442, 0.4521]\n", + " PeriodicSite: Li (3.376, 15.76, 19.1) [0.1662, 0.7761, 0.9404]\n", + " PeriodicSite: Li (1.423, 18.92, 9.452) [0.07003, 0.9315, 0.4654]\n", + " PeriodicSite: Li (13.29, 5.61, 1.755) [0.6542, 0.2762, 0.08641]\n", + " PeriodicSite: Li (14.23, 8.777, 16.37) [0.7006, 0.4321, 0.8058]\n", + " PeriodicSite: Li (12.27, 14.73, 7.19) [0.6041, 0.7251, 0.354]\n", + " PeriodicSite: Li (14.91, 18.57, 13.42) [0.7338, 0.9143, 0.6608]\n", + " PeriodicSite: Li (3.213, 6.786, 20.16) [0.1582, 0.3341, 0.9925]\n", + " PeriodicSite: Li (2.888, 4.618, 11.78) [0.1422, 0.2273, 0.5798]\n", + " PeriodicSite: Li (5.043, 17.14, 1.297) [0.2482, 0.8441, 0.06388]\n", + " PeriodicSite: Li (4.579, 18.14, 14.43) [0.2254, 0.8932, 0.7103]\n", + " PeriodicSite: Li (17.29, 6.886, 19.91) [0.8511, 0.339, 0.9804]\n", + " PeriodicSite: Li (10.72, 5.8, 12.88) [0.5277, 0.2856, 0.634]\n", + " PeriodicSite: Li (13.15, 20.03, 3.885) [0.6474, 0.9862, 0.1913]\n", + " PeriodicSite: Li (11.07, 17.56, 14.26) [0.5451, 0.8646, 0.7022]\n", + " PeriodicSite: Li (0.4033, 7.955, 1.269) [0.01985, 0.3916, 0.0625]\n", + " PeriodicSite: Li (4.486, 7.084, 11.13) [0.2209, 0.3488, 0.5482]\n", + " PeriodicSite: Li (2.99, 15.19, 2.115) [0.1472, 0.7477, 0.1041]\n", + " PeriodicSite: Li (4.351, 16.94, 11.65) [0.2142, 0.8339, 0.5735]\n", + " PeriodicSite: Li (11.89, 9.383, 0.6273) [0.5854, 0.4619, 0.03089]\n", + " PeriodicSite: Li (11.84, 7.079, 15.12) [0.5827, 0.3485, 0.7445]\n", + " PeriodicSite: Li (12.32, 15.81, 3.847) [0.6066, 0.7782, 0.1894]\n", + " PeriodicSite: Li (13.85, 15.51, 12.24) [0.6818, 0.7638, 0.6027]\n", + " PeriodicSite: Li (0.8117, 6.835, 3.754) [0.03996, 0.3365, 0.1848]\n", + " PeriodicSite: Li (17.03, 6.506, 9.825) [0.8384, 0.3203, 0.4837]\n", + " PeriodicSite: Li (1.208, 17.3, 4.362) [0.05948, 0.8519, 0.2147]\n", + " PeriodicSite: Li (0.2484, 18.56, 12.54) [0.01223, 0.9137, 0.6174]\n", + " PeriodicSite: Li (10.4, 6.648, 3.534) [0.5119, 0.3273, 0.174]\n", + " PeriodicSite: Li (14.43, 8.894, 13.34) [0.7102, 0.4379, 0.657]\n", + " PeriodicSite: Li (13.45, 16.97, 0.6653) [0.6623, 0.8356, 0.03276]\n", + " PeriodicSite: Li (7.605, 15.99, 15.59) [0.3744, 0.7871, 0.7676]\n", + " PeriodicSite: Li (4.477, 7.563, 4.83) [0.2204, 0.3723, 0.2378]\n", + " PeriodicSite: Li (1.012, 7.589, 11.06) [0.04982, 0.3736, 0.5447]\n", + " PeriodicSite: Li (0.7131, 18.17, 1.4) [0.0351, 0.8943, 0.06891]\n", + " PeriodicSite: Li (2.909, 20.08, 13.63) [0.1432, 0.9885, 0.6708]\n", + " PeriodicSite: Li (15.18, 9.007, 2.784) [0.7471, 0.4434, 0.1371]\n", + " PeriodicSite: Li (12.89, 7.138, 10.51) [0.6345, 0.3514, 0.5172]\n", + " PeriodicSite: Li (12.35, 19.64, 1.089) [0.6079, 0.9667, 0.0536]\n", + " PeriodicSite: Li (13.48, 17.0, 9.786) [0.6638, 0.837, 0.4818]\n", + " PeriodicSite: Li (4.709, 4.969, 2.206) [0.2318, 0.2446, 0.1086]\n", + " PeriodicSite: Li (4.906, 8.924, 13.44) [0.2415, 0.4393, 0.6614]\n", + " PeriodicSite: Li (4.056, 18.05, 4.373) [0.1997, 0.8884, 0.2153]\n", + " PeriodicSite: Li (1.721, 15.55, 13.08) [0.08474, 0.7657, 0.644]\n", + " PeriodicSite: Li (13.25, 11.27, 5.359) [0.6524, 0.5549, 0.2639]\n", + " PeriodicSite: Li (14.45, 5.979, 12.14) [0.7116, 0.2943, 0.5978]\n", + " PeriodicSite: Li (15.1, 18.11, 3.517) [0.7436, 0.8916, 0.1732]\n", + " PeriodicSite: Li (15.3, 2.388, 14.04) [0.7531, 0.1176, 0.691]\n", + " PeriodicSite: Li (9.609, 3.165, 3.664) [0.4731, 0.1558, 0.1804]\n", + " PeriodicSite: Li (9.077, 2.869, 13.73) [0.4469, 0.1413, 0.6759]\n", + " PeriodicSite: Li (8.182, 10.46, 1.736) [0.4028, 0.5148, 0.08544]\n", + " PeriodicSite: Li (3.536, 11.36, 13.92) [0.1741, 0.5591, 0.6854]\n", + " PeriodicSite: Li (16.44, 1.947, 5.298) [0.8094, 0.09587, 0.2608]\n", + " PeriodicSite: Li (13.15, 3.984, 10.19) [0.6476, 0.1961, 0.5017]\n", + " PeriodicSite: Li (17.79, 10.72, 0.7715) [0.876, 0.5275, 0.03799]\n", + " PeriodicSite: Li (17.47, 10.18, 12.88) [0.8599, 0.5013, 0.6342]\n", + " PeriodicSite: Li (6.93, 18.22, 5.129) [0.3412, 0.8971, 0.2525]\n", + " PeriodicSite: Li (6.262, 2.167, 14.62) [0.3083, 0.1067, 0.7198]\n", + " PeriodicSite: Li (6.803, 13.09, 0.5938) [0.3349, 0.6446, 0.02924]\n", + " PeriodicSite: Li (9.64, 12.42, 12.13) [0.4746, 0.6113, 0.5971]\n", + " PeriodicSite: Li (15.59, 1.045, 3.038) [0.7675, 0.05145, 0.1495]\n", + " PeriodicSite: Li (19.93, 2.058, 12.23) [0.9811, 0.1013, 0.602]\n", + " PeriodicSite: Li (17.24, 11.69, 4.754) [0.8488, 0.5757, 0.234]\n", + " PeriodicSite: Li (16.47, 14.65, 12.64) [0.8108, 0.7213, 0.6221]\n", + " PeriodicSite: Li (8.126, 5.376, 6.195) [0.4, 0.2647, 0.305]\n", + " PeriodicSite: Li (8.021, 20.25, 11.91) [0.3949, 0.9968, 0.5862]\n", + " PeriodicSite: Li (9.694, 12.58, 4.363) [0.4772, 0.6194, 0.2148]\n", + " PeriodicSite: Li (7.155, 13.54, 10.03) [0.3522, 0.6665, 0.4937]\n", + " PeriodicSite: Li (19.71, 2.753, 3.056) [0.9705, 0.1355, 0.1505]\n", + " PeriodicSite: Li (18.6, 3.565, 15.11) [0.9156, 0.1755, 0.7437]\n", + " PeriodicSite: Li (16.21, 14.68, 2.021) [0.7981, 0.7226, 0.09953]\n", + " PeriodicSite: Li (15.32, 11.77, 12.95) [0.7541, 0.5794, 0.6374]\n", + " PeriodicSite: Li (2.756, 19.88, 2.801) [0.1357, 0.9789, 0.1379]\n", + " PeriodicSite: Li (5.426, 0.6428, 12.86) [0.2671, 0.03164, 0.6332]\n", + " PeriodicSite: Li (6.207, 14.53, 2.535) [0.3056, 0.7154, 0.1248]\n", + " PeriodicSite: Li (7.537, 7.961, 15.62) [0.3711, 0.3919, 0.769]\n", + " PeriodicSite: Li (18.0, 4.621, 3.959) [0.8861, 0.2275, 0.1949]\n", + " PeriodicSite: Li (17.13, 0.3921, 13.61) [0.8431, 0.0193, 0.6698]\n", + " PeriodicSite: Li (17.11, 13.85, 20.03) [0.8424, 0.6817, 0.9859]\n", + " PeriodicSite: Li (0.02978, 10.95, 12.1) [0.001464, 0.5389, 0.5958]\n", + " PeriodicSite: Li (6.857, 3.312, 0.4501) [0.3376, 0.163, 0.02216]\n", + " PeriodicSite: Li (5.382, 2.597, 10.43) [0.265, 0.1278, 0.5135]\n", + " PeriodicSite: Li (9.89, 12.62, 1.287) [0.4869, 0.6212, 0.06337]\n", + " PeriodicSite: Li (7.733, 9.882, 10.26) [0.3807, 0.4865, 0.5049]\n", + " PeriodicSite: Li (15.85, 4.251, 2.367) [0.7804, 0.2093, 0.1165]\n", + " PeriodicSite: Li (16.21, 3.235, 11.15) [0.7978, 0.1592, 0.5487]\n", + " PeriodicSite: Li (0.6462, 12.44, 19.58) [0.03181, 0.6125, 0.9637]\n", + " PeriodicSite: Li (19.46, 13.67, 13.28) [0.9581, 0.6732, 0.6536]\n", + " PeriodicSite: Li (8.961, 0.1255, 2.249) [0.4411, 0.006174, 0.1107]\n", + " PeriodicSite: Li (8.334, 2.535, 10.3) [0.4103, 0.1248, 0.5072]\n", + " PeriodicSite: Li (6.609, 11.7, 4.881) [0.3254, 0.5758, 0.2403]\n", + " PeriodicSite: Li (5.475, 13.77, 12.87) [0.2696, 0.6779, 0.6336]\n", + " PeriodicSite: Li (17.04, 3.266, 0.4867) [0.8388, 0.1608, 0.02397]\n", + " PeriodicSite: Li (2.081, 7.31, 15.08) [0.1025, 0.3599, 0.7423]\n", + " PeriodicSite: Li (3.699, 16.23, 8.526) [0.1821, 0.7991, 0.4198]\n", + " PeriodicSite: Li (16.99, 13.67, 10.28) [0.8364, 0.6731, 0.5063]\n", + " PeriodicSite: Li (13.56, 8.12, 4.652) [0.6674, 0.3997, 0.229]\n", + " PeriodicSite: Li (5.275, 8.1, 17.22) [0.2597, 0.3988, 0.8479]\n", + " PeriodicSite: Li (7.251, 16.74, 9.992) [0.357, 0.8244, 0.4919]\n", + " PeriodicSite: Li (7.284, 15.68, 19.44) [0.3586, 0.7717, 0.9568]\n", + " PeriodicSite: Li (15.82, 9.479, 7.233) [0.7791, 0.4666, 0.3561]\n", + " PeriodicSite: Li (2.323, 4.794, 17.89) [0.1144, 0.236, 0.8808]\n", + " PeriodicSite: Li (17.77, 19.46, 5.631) [0.8746, 0.9578, 0.2772]\n", + " PeriodicSite: Li (19.5, 19.39, 18.43) [0.9598, 0.9548, 0.9073]\n", + " PeriodicSite: Li (7.423, 8.678, 5.673) [0.3654, 0.4272, 0.2793]\n", + " PeriodicSite: Li (8.884, 5.766, 17.15) [0.4374, 0.2838, 0.8445]\n", + " PeriodicSite: Li (8.182, 20.02, 7.921) [0.4028, 0.9856, 0.39]\n", + " PeriodicSite: Li (7.285, 19.51, 15.44) [0.3586, 0.9607, 0.7599]\n", + " PeriodicSite: Li (18.01, 9.624, 9.159) [0.8866, 0.4738, 0.4509]\n", + " PeriodicSite: Li (17.9, 6.572, 15.14) [0.8812, 0.3236, 0.7452]\n", + " PeriodicSite: Li (18.21, 19.71, 9.051) [0.8964, 0.9704, 0.4456]\n", + " PeriodicSite: Li (18.36, 16.49, 15.94) [0.9038, 0.812, 0.7846]\n", + " PeriodicSite: Li (6.455, 5.711, 8.924) [0.3178, 0.2812, 0.4393]\n", + " PeriodicSite: Li (6.138, 5.844, 18.38) [0.3022, 0.2877, 0.905]\n", + " PeriodicSite: Li (9.86, 18.27, 8.788) [0.4854, 0.8993, 0.4327]\n", + " PeriodicSite: Li (11.78, 14.31, 15.44) [0.5799, 0.7044, 0.7603]\n", + " PeriodicSite: Li (20.1, 8.019, 7.817) [0.9896, 0.3948, 0.3849]\n", + " PeriodicSite: Li (19.6, 6.137, 17.85) [0.965, 0.3021, 0.8786]\n", + " PeriodicSite: Li (16.97, 17.25, 10.28) [0.8355, 0.8494, 0.5063]\n", + " PeriodicSite: Li (16.46, 17.02, 19.32) [0.8106, 0.8381, 0.951]\n", + " PeriodicSite: Li (9.298, 7.695, 9.328) [0.4578, 0.3788, 0.4592]\n", + " PeriodicSite: Li (7.101, 7.251, 0.04625) [0.3496, 0.357, 0.002279]\n", + " PeriodicSite: Li (4.831, 19.15, 7.053) [0.2378, 0.9428, 0.3472]\n", + " PeriodicSite: Li (8.418, 15.01, 3.706) [0.4144, 0.739, 0.1824]\n", + " PeriodicSite: Li (15.12, 6.824, 8.349) [0.7443, 0.3359, 0.4111]\n", + " PeriodicSite: Li (19.8, 9.605, 18.28) [0.9749, 0.4728, 0.8998]\n", + " PeriodicSite: Li (15.37, 18.92, 7.204) [0.7565, 0.9314, 0.3547]\n", + " PeriodicSite: Li (14.54, 18.77, 16.79) [0.7159, 0.9239, 0.8264]\n", + " PeriodicSite: Li (6.697, 4.781, 12.27) [0.3297, 0.2354, 0.6043]\n", + " PeriodicSite: Li (7.32, 10.12, 17.8) [0.3604, 0.4984, 0.8763]\n", + " PeriodicSite: Li (9.936, 17.38, 6.289) [0.4892, 0.8557, 0.3096]\n", + " PeriodicSite: Li (10.44, 17.71, 1.988) [0.5141, 0.8718, 0.09786]\n", + " PeriodicSite: Li (17.4, 8.388, 5.313) [0.8564, 0.4129, 0.2616]\n", + " PeriodicSite: Li (15.22, 3.979, 18.25) [0.7492, 0.1959, 0.8984]\n", + " PeriodicSite: Li (19.32, 16.41, 6.797) [0.9511, 0.8079, 0.3346]\n", + " PeriodicSite: Li (18.65, 0.2884, 2.039) [0.9179, 0.01419, 0.1004]\n", + " PeriodicSite: Li (3.325, 9.843, 3.622) [0.1637, 0.4846, 0.1783]\n", + " PeriodicSite: Li (9.953, 8.153, 18.3) [0.49, 0.4014, 0.9011]\n", + " PeriodicSite: Li (8.263, 15.31, 6.948) [0.4068, 0.7535, 0.342]\n", + " PeriodicSite: Li (7.863, 19.27, 19.09) [0.3871, 0.9488, 0.9398]\n", + " PeriodicSite: Li (18.57, 5.893, 6.924) [0.914, 0.2901, 0.3409]\n", + " PeriodicSite: Li (17.2, 12.24, 15.17) [0.8467, 0.6024, 0.747]\n", + " PeriodicSite: Li (19.33, 14.24, 2.823) [0.9517, 0.701, 0.139]\n", + " PeriodicSite: Li (12.83, 0.1914, 13.13) [0.6317, 0.00942, 0.6462]\n", + " PeriodicSite: Cl (7.439, 12.96, 12.45) [0.3662, 0.6382, 0.6128]\n", + " PeriodicSite: Cl (2.685, 12.16, 18.03) [0.1322, 0.5984, 0.8878]\n", + " PeriodicSite: Cl (12.77, 17.91, 12.59) [0.6288, 0.8818, 0.62]\n", + " PeriodicSite: Cl (17.76, 7.737, 17.73) [0.8745, 0.3809, 0.8729]\n", + " PeriodicSite: Cl (7.796, 2.16, 2.395) [0.3838, 0.1063, 0.1179]\n", + " PeriodicSite: Cl (7.648, 7.501, 7.563) [0.3765, 0.3693, 0.3724]\n", + " PeriodicSite: Cl (12.84, 12.53, 7.791) [0.6321, 0.6167, 0.3836]\n", + " PeriodicSite: Cl (2.481, 7.63, 2.585) [0.1221, 0.3756, 0.1272]\n", + " PeriodicSite: Cl (2.837, 7.502, 12.68) [0.1397, 0.3693, 0.6245]\n", + " PeriodicSite: Cl (12.61, 13.15, 17.56) [0.6208, 0.6473, 0.8644]\n", + " PeriodicSite: Cl (17.56, 18.24, 17.46) [0.8646, 0.8981, 0.8597]\n", + " PeriodicSite: Cl (2.652, 2.554, 7.308) [0.1305, 0.1257, 0.3598]\n", + " PeriodicSite: Cl (12.98, 2.839, 17.7) [0.6393, 0.1397, 0.8713]\n", + " PeriodicSite: Cl (12.96, 7.876, 2.247) [0.6381, 0.3878, 0.1106]\n", + " PeriodicSite: Cl (17.68, 2.683, 12.88) [0.8706, 0.1321, 0.6339]\n", + " PeriodicSite: Cl (8.01, 17.69, 17.25) [0.3943, 0.8709, 0.8492]\n", + " PeriodicSite: Cl (0.1139, 0.002725, 0.1471) [0.005607, 0.0001341, 0.007242]\n", + " PeriodicSite: Cl (19.96, 20.0, 10.74) [0.9825, 0.9845, 0.529]\n", + " PeriodicSite: Cl (20.0, 10.3, 0.18) [0.9847, 0.5071, 0.008866]\n", + " PeriodicSite: Cl (0.01719, 9.523, 9.932) [0.0008444, 0.4688, 0.489]\n", + " PeriodicSite: Cl (9.88, 20.02, 0.1493) [0.4864, 0.9857, 0.007357]\n", + " PeriodicSite: Cl (9.646, 0.4504, 9.531) [0.4749, 0.02217, 0.4692]\n", + " PeriodicSite: Cl (9.932, 10.53, 20.29) [0.489, 0.5185, 0.9988]\n", + " PeriodicSite: Cl (10.11, 9.724, 10.13) [0.4979, 0.4787, 0.4985]\n", + " PeriodicSite: Cl (20.12, 4.852, 4.879) [0.9904, 0.2388, 0.2402]\n", + " PeriodicSite: Cl (19.96, 5.449, 15.67) [0.9828, 0.2682, 0.7714]\n", + " PeriodicSite: Cl (0.1911, 15.1, 5.217) [0.009401, 0.7432, 0.2568]\n", + " PeriodicSite: Cl (0.2449, 15.35, 15.06) [0.01206, 0.7559, 0.7415]\n", + " PeriodicSite: Cl (10.07, 4.956, 5.004) [0.4958, 0.244, 0.2463]\n", + " PeriodicSite: Cl (9.805, 4.925, 15.01) [0.4827, 0.2425, 0.7388]\n", + " PeriodicSite: Cl (10.09, 15.23, 5.486) [0.4969, 0.7498, 0.2701]\n", + " PeriodicSite: Cl (10.16, 16.03, 15.47) [0.5004, 0.7891, 0.7614]\n", + " PeriodicSite: S (5.113, 20.13, 5.111) [0.2517, 0.9909, 0.2516]\n", + " PeriodicSite: S (5.173, 0.09525, 15.1) [0.2547, 0.004688, 0.7433]\n", + " PeriodicSite: S (4.985, 9.964, 5.373) [0.2454, 0.4905, 0.2645]\n", + " PeriodicSite: S (5.112, 10.27, 15.68) [0.2517, 0.5054, 0.7721]\n", + " PeriodicSite: S (15.23, 20.05, 5.116) [0.7497, 0.9872, 0.2519]\n", + " PeriodicSite: S (15.36, 0.1122, 15.15) [0.756, 0.00552, 0.7458]\n", + " PeriodicSite: S (15.27, 10.27, 5.091) [0.7516, 0.5057, 0.2507]\n", + " PeriodicSite: S (15.48, 10.18, 15.01) [0.7622, 0.5013, 0.739]\n", + " PeriodicSite: S (4.869, 5.04, 19.98) [0.2397, 0.2481, 0.9839]\n", + " PeriodicSite: S (4.925, 4.923, 10.22) [0.2424, 0.2424, 0.5034]\n", + " PeriodicSite: S (5.212, 14.88, 0.6046) [0.2566, 0.7326, 0.02977]\n", + " PeriodicSite: S (5.148, 15.08, 10.02) [0.2534, 0.7426, 0.4933]\n", + " PeriodicSite: S (15.11, 5.09, 0.09524) [0.7436, 0.2506, 0.004693]\n", + " PeriodicSite: S (15.1, 5.078, 10.06) [0.7435, 0.25, 0.4954]\n", + " PeriodicSite: S (15.1, 15.13, 20.25) [0.7436, 0.7447, 0.9968]\n", + " PeriodicSite: S (15.33, 15.34, 10.4) [0.755, 0.7554, 0.5118]\n", + " PeriodicSite: S (8.674, 4.032, 8.496) [0.427, 0.1985, 0.4183]\n", + " PeriodicSite: S (8.726, 4.169, 19.27) [0.4296, 0.2052, 0.9488]\n", + " PeriodicSite: S (9.366, 14.09, 9.089) [0.4611, 0.6936, 0.4475]\n", + " PeriodicSite: S (8.962, 14.11, 19.37) [0.4412, 0.6948, 0.9537]\n", + " PeriodicSite: S (18.83, 3.769, 8.621) [0.9269, 0.1855, 0.4244]\n", + " PeriodicSite: S (18.96, 4.189, 19.4) [0.9333, 0.2062, 0.9552]\n", + " PeriodicSite: S (19.12, 14.09, 8.952) [0.9413, 0.6938, 0.4407]\n", + " PeriodicSite: S (19.45, 14.16, 18.74) [0.9578, 0.6973, 0.9225]\n", + " PeriodicSite: S (3.989, 1.252, 1.383) [0.1964, 0.06162, 0.06811]\n", + " PeriodicSite: S (3.818, 0.8871, 11.18) [0.188, 0.04367, 0.5503]\n", + " PeriodicSite: S (3.53, 10.96, 1.151) [0.1738, 0.5394, 0.05668]\n", + " PeriodicSite: S (3.941, 11.45, 11.61) [0.194, 0.5636, 0.5717]\n", + " PeriodicSite: S (13.96, 1.412, 1.13) [0.6873, 0.06952, 0.05565]\n", + " PeriodicSite: S (14.06, 1.536, 11.39) [0.6922, 0.0756, 0.5606]\n", + " PeriodicSite: S (14.16, 11.0, 1.126) [0.6973, 0.5414, 0.05546]\n", + " PeriodicSite: S (13.69, 10.94, 11.56) [0.6742, 0.5385, 0.569]\n", + " PeriodicSite: S (6.223, 0.6672, 8.949) [0.3064, 0.03285, 0.4406]\n", + " PeriodicSite: S (6.437, 1.336, 19.23) [0.3169, 0.06578, 0.9469]\n", + " PeriodicSite: S (6.255, 11.04, 8.988) [0.3079, 0.5434, 0.4425]\n", + " PeriodicSite: S (6.095, 11.22, 19.44) [0.3, 0.5526, 0.9569]\n", + " PeriodicSite: S (16.36, 1.28, 8.996) [0.8053, 0.06303, 0.4429]\n", + " PeriodicSite: S (16.24, 1.63, 19.09) [0.7995, 0.08026, 0.94]\n", + " PeriodicSite: S (15.92, 11.22, 8.99) [0.7839, 0.5526, 0.4426]\n", + " PeriodicSite: S (16.52, 11.1, 18.9) [0.8131, 0.5465, 0.9305]\n", + " PeriodicSite: S (1.119, 3.724, 1.352) [0.05508, 0.1834, 0.06655]\n", + " PeriodicSite: S (1.225, 3.626, 10.75) [0.06032, 0.1785, 0.5293]\n", + " PeriodicSite: S (1.478, 14.1, 0.6466) [0.07277, 0.6942, 0.03183]\n", + " PeriodicSite: S (0.9415, 13.99, 11.5) [0.04635, 0.6887, 0.566]\n", + " PeriodicSite: S (11.31, 4.036, 1.226) [0.5568, 0.1987, 0.06038]\n", + " PeriodicSite: S (10.99, 3.518, 10.99) [0.5412, 0.1732, 0.5411]\n", + " PeriodicSite: S (11.49, 14.34, 1.178) [0.5658, 0.7058, 0.05799]\n", + " PeriodicSite: S (11.66, 14.51, 11.03) [0.574, 0.7144, 0.5429]\n", + " PeriodicSite: S (2.549, 2.573, 17.9) [0.1255, 0.1267, 0.881]\n", + " PeriodicSite: S (2.407, 13.13, 7.873) [0.1185, 0.6465, 0.3876]\n", + " PeriodicSite: S (12.46, 2.59, 7.442) [0.6136, 0.1275, 0.3664]\n", + " PeriodicSite: S (9.109, 8.755, 3.88) [0.4484, 0.431, 0.191]\n", + " PeriodicSite: S (8.719, 9.402, 14.17) [0.4292, 0.4629, 0.6974]\n", + " PeriodicSite: S (8.874, 19.02, 4.028) [0.4369, 0.9364, 0.1983]\n", + " PeriodicSite: S (9.382, 19.48, 13.94) [0.4619, 0.9588, 0.6861]\n", + " PeriodicSite: S (19.05, 9.263, 3.85) [0.938, 0.456, 0.1896]\n", + " PeriodicSite: S (19.44, 8.811, 13.55) [0.957, 0.4338, 0.6673]\n", + " PeriodicSite: S (19.37, 18.87, 3.686) [0.9537, 0.9288, 0.1815]\n", + " PeriodicSite: S (18.91, 19.45, 14.44) [0.9311, 0.9576, 0.7107]\n", + " PeriodicSite: S (3.624, 5.876, 6.226) [0.1784, 0.2893, 0.3065]\n", + " PeriodicSite: S (3.796, 6.203, 16.39) [0.1869, 0.3054, 0.8067]\n", + " PeriodicSite: S (3.942, 16.67, 6.289) [0.1941, 0.8205, 0.3096]\n", + " PeriodicSite: S (3.628, 16.59, 16.72) [0.1786, 0.8169, 0.823]\n", + " PeriodicSite: S (14.01, 6.225, 6.343) [0.6899, 0.3065, 0.3123]\n", + " PeriodicSite: S (13.76, 5.98, 16.43) [0.6775, 0.2944, 0.8087]\n", + " PeriodicSite: S (13.93, 16.48, 5.703) [0.6859, 0.8111, 0.2808]\n", + " PeriodicSite: S (14.02, 16.19, 16.5) [0.6901, 0.797, 0.8122]\n", + " PeriodicSite: S (6.219, 5.949, 4.207) [0.3062, 0.2929, 0.2071]\n", + " PeriodicSite: S (6.014, 6.572, 13.89) [0.2961, 0.3235, 0.6837]\n", + " PeriodicSite: S (6.276, 16.45, 3.915) [0.309, 0.81, 0.1927]\n", + " PeriodicSite: S (5.865, 16.27, 14.04) [0.2887, 0.801, 0.6913]\n", + " PeriodicSite: S (16.1, 6.504, 3.792) [0.7927, 0.3202, 0.1867]\n", + " PeriodicSite: S (15.9, 6.827, 13.88) [0.7828, 0.3361, 0.6835]\n", + " PeriodicSite: S (16.61, 16.1, 3.851) [0.8179, 0.7924, 0.1896]\n", + " PeriodicSite: S (16.22, 16.48, 14.04) [0.7985, 0.8111, 0.6912]\n", + " PeriodicSite: S (1.137, 8.634, 5.94) [0.05598, 0.4251, 0.2925]\n", + " PeriodicSite: S (0.9287, 8.811, 16.44) [0.04572, 0.4338, 0.8093]\n", + " PeriodicSite: S (1.349, 19.0, 6.174) [0.06639, 0.9353, 0.304]\n", + " PeriodicSite: S (1.009, 19.26, 16.63) [0.04965, 0.9482, 0.8187]\n", + " PeriodicSite: S (11.61, 9.132, 6.071) [0.5715, 0.4496, 0.2989]\n", + " PeriodicSite: S (11.3, 8.97, 16.45) [0.5563, 0.4416, 0.8097]\n", + " PeriodicSite: S (11.49, 19.35, 5.833) [0.5657, 0.9525, 0.2872]\n", + " PeriodicSite: S (11.57, 19.57, 15.93) [0.5698, 0.9637, 0.7841]\n", + " PeriodicSite: S (2.68, 17.54, 2.561) [0.132, 0.8636, 0.1261]\n", + " PeriodicSite: S (2.357, 17.78, 13.21) [0.116, 0.8752, 0.6504]\n", + " PeriodicSite: S (12.32, 7.504, 12.8) [0.6065, 0.3694, 0.63]\n", + " PeriodicSite: S (12.66, 18.02, 2.728) [0.6232, 0.8869, 0.1343]\n", + " PeriodicSite: S (4.287, 3.414, 4.044) [0.2111, 0.1681, 0.1991]\n", + " PeriodicSite: S (4.19, 3.762, 14.01) [0.2063, 0.1852, 0.6898]\n", + " PeriodicSite: S (3.94, 13.91, 3.911) [0.194, 0.6849, 0.1925]\n", + " PeriodicSite: S (3.535, 13.97, 14.65) [0.174, 0.6876, 0.7215]\n", + " PeriodicSite: S (13.92, 3.957, 3.909) [0.6851, 0.1948, 0.1924]\n", + " PeriodicSite: S (13.54, 4.296, 13.83) [0.6668, 0.2115, 0.6806]\n", + " PeriodicSite: S (14.0, 13.89, 3.572) [0.6893, 0.6837, 0.1759]\n", + " PeriodicSite: S (14.32, 13.84, 14.32) [0.705, 0.6815, 0.705]\n", + " PeriodicSite: S (8.862, 1.41, 6.304) [0.4363, 0.06942, 0.3103]\n", + " PeriodicSite: S (8.966, 1.334, 16.43) [0.4414, 0.06568, 0.8088]\n", + " PeriodicSite: S (9.022, 10.94, 6.265) [0.4441, 0.5385, 0.3085]\n", + " PeriodicSite: S (8.97, 11.44, 16.6) [0.4416, 0.5633, 0.8174]\n", + " PeriodicSite: S (19.24, 0.9859, 6.364) [0.947, 0.04853, 0.3133]\n", + " PeriodicSite: S (19.17, 1.577, 16.36) [0.9436, 0.07762, 0.8053]\n", + " PeriodicSite: S (19.19, 10.92, 6.625) [0.945, 0.5376, 0.3262]\n", + " PeriodicSite: S (18.98, 11.12, 16.41) [0.9346, 0.5475, 0.8081]\n", + " PeriodicSite: S (1.243, 1.172, 3.959) [0.06122, 0.0577, 0.1949]\n", + " PeriodicSite: S (1.263, 1.362, 14.14) [0.06219, 0.06707, 0.6961]\n", + " PeriodicSite: S (1.217, 11.52, 4.325) [0.0599, 0.5673, 0.2129]\n", + " PeriodicSite: S (1.078, 11.43, 14.33) [0.05308, 0.5629, 0.7057]\n", + " PeriodicSite: S (10.97, 1.366, 3.652) [0.5402, 0.06725, 0.1798]\n", + " PeriodicSite: S (11.36, 2.011, 14.04) [0.5593, 0.099, 0.6912]\n", + " PeriodicSite: S (11.45, 11.22, 3.664) [0.5638, 0.5526, 0.1804]\n", + " PeriodicSite: S (11.18, 11.57, 14.38) [0.5503, 0.5694, 0.7082]\n", + " PeriodicSite: S (6.137, 3.714, 6.852) [0.3021, 0.1829, 0.3373]\n", + " PeriodicSite: S (6.36, 4.165, 16.46) [0.3131, 0.2051, 0.8102]\n", + " PeriodicSite: S (6.102, 13.97, 6.209) [0.3004, 0.6875, 0.3057]\n", + " PeriodicSite: S (6.248, 14.42, 16.7) [0.3076, 0.7098, 0.8221]\n", + " PeriodicSite: S (16.64, 4.239, 6.193) [0.8194, 0.2087, 0.3049]\n", + " PeriodicSite: S (16.34, 4.292, 15.92) [0.8043, 0.2113, 0.7839]\n", + " PeriodicSite: S (16.36, 13.73, 6.158) [0.8055, 0.6759, 0.3032]\n", + " PeriodicSite: S (16.92, 14.33, 16.4) [0.8328, 0.7053, 0.8076]\n", + " PeriodicSite: S (7.151, 2.349, 12.31) [0.352, 0.1157, 0.6062]\n", + " PeriodicSite: S (7.962, 12.85, 2.868) [0.392, 0.6324, 0.1412]\n", + " PeriodicSite: S (17.45, 2.528, 2.917) [0.8591, 0.1244, 0.1436]\n", + " PeriodicSite: S (17.8, 12.5, 2.287) [0.8764, 0.6156, 0.1126]\n", + " PeriodicSite: S (17.67, 12.5, 12.71) [0.8697, 0.6154, 0.6255]\n", + " PeriodicSite: S (3.825, 8.805, 9.571) [0.1883, 0.4335, 0.4712]\n", + " PeriodicSite: S (3.998, 8.68, 19.04) [0.1968, 0.4273, 0.9373]\n", + " PeriodicSite: S (3.839, 18.45, 9.437) [0.189, 0.9085, 0.4646]\n", + " PeriodicSite: S (3.782, 19.32, 19.07) [0.1862, 0.9511, 0.9389]\n", + " PeriodicSite: S (13.8, 8.798, 8.804) [0.6794, 0.4332, 0.4334]\n", + " PeriodicSite: S (13.86, 8.826, 19.05) [0.6825, 0.4345, 0.9379]\n", + " PeriodicSite: S (13.76, 19.42, 9.061) [0.6774, 0.956, 0.4461]\n", + " PeriodicSite: S (14.29, 19.12, 19.39) [0.7036, 0.9411, 0.9545]\n", + " PeriodicSite: S (9.18, 6.542, 1.243) [0.4519, 0.3221, 0.06117]\n", + " PeriodicSite: S (8.852, 6.051, 11.25) [0.4358, 0.2979, 0.5537]\n", + " PeriodicSite: S (8.723, 16.54, 1.18) [0.4294, 0.8142, 0.0581]\n", + " PeriodicSite: S (9.37, 16.96, 11.01) [0.4613, 0.8351, 0.5419]\n", + " PeriodicSite: S (19.1, 6.212, 1.808) [0.9402, 0.3058, 0.08901]\n", + " PeriodicSite: S (19.23, 6.191, 11.34) [0.9467, 0.3048, 0.5584]\n", + " PeriodicSite: S (19.15, 15.99, 1.285) [0.9428, 0.7871, 0.06326]\n", + " PeriodicSite: S (19.0, 16.47, 11.65) [0.9354, 0.811, 0.5734]\n", + " PeriodicSite: S (0.8461, 6.154, 8.636) [0.04165, 0.303, 0.4252]\n", + " PeriodicSite: S (0.8319, 6.492, 19.62) [0.04096, 0.3196, 0.9657]\n", + " PeriodicSite: S (1.004, 16.66, 9.043) [0.0494, 0.8202, 0.4452]\n", + " PeriodicSite: S (0.9947, 17.1, 19.34) [0.04897, 0.8419, 0.9521]\n", + " PeriodicSite: S (11.2, 6.145, 8.898) [0.5513, 0.3025, 0.4381]\n", + " PeriodicSite: S (11.34, 5.964, 18.8) [0.558, 0.2936, 0.9255]\n", + " PeriodicSite: S (11.58, 16.6, 8.382) [0.5699, 0.8172, 0.4127]\n", + " PeriodicSite: S (11.48, 16.76, 19.39) [0.5652, 0.8252, 0.9547]\n", + " PeriodicSite: S (6.088, 8.818, 1.537) [0.2997, 0.4341, 0.07566]\n", + " PeriodicSite: S (6.349, 8.825, 11.61) [0.3126, 0.4345, 0.5715]\n", + " PeriodicSite: S (6.294, 19.14, 0.966) [0.3099, 0.9421, 0.04756]\n", + " PeriodicSite: S (6.306, 18.85, 11.35) [0.3104, 0.9278, 0.5589]\n", + " PeriodicSite: S (16.87, 8.733, 0.8989) [0.8304, 0.4299, 0.04426]\n", + " PeriodicSite: S (16.18, 8.779, 11.41) [0.7966, 0.4322, 0.5615]\n", + " PeriodicSite: S (16.45, 19.78, 1.372) [0.81, 0.9738, 0.06756]\n", + " PeriodicSite: S (16.21, 19.36, 11.31) [0.7978, 0.9529, 0.5566]\n", + " PeriodicSite: S (7.564, 7.606, 17.96) [0.3724, 0.3745, 0.8842]\n", + " PeriodicSite: S (7.874, 17.62, 7.494) [0.3877, 0.8674, 0.3689]\n", + " PeriodicSite: S (17.53, 7.695, 7.68) [0.8629, 0.3788, 0.3781]\n", + " PeriodicSite: S (17.42, 17.81, 7.839) [0.8576, 0.8768, 0.3859]\n", + " PeriodicSite: P (4.955, 0.1757, 0.02824) [0.2439, 0.008649, 0.001391]\n", + " PeriodicSite: P (5.034, 19.88, 10.17) [0.2478, 0.9789, 0.5004]\n", + " PeriodicSite: P (4.907, 9.823, 0.221) [0.2416, 0.4836, 0.01088]\n", + " PeriodicSite: P (5.103, 10.17, 10.44) [0.2512, 0.5005, 0.514]\n", + " PeriodicSite: P (15.32, 0.2791, 0.01129) [0.7542, 0.01373, 0.0005598]\n", + " PeriodicSite: P (15.11, 0.2415, 10.1) [0.7437, 0.01188, 0.4972]\n", + " PeriodicSite: P (15.3, 10.03, 20.09) [0.7535, 0.4938, 0.9893]\n", + " PeriodicSite: P (14.87, 9.936, 10.21) [0.732, 0.4892, 0.5029]\n", + " PeriodicSite: P (5.099, 4.749, 5.372) [0.251, 0.2338, 0.2645]\n", + " PeriodicSite: P (5.124, 5.162, 15.12) [0.2523, 0.2541, 0.7442]\n", + " PeriodicSite: P (4.989, 15.19, 5.11) [0.2456, 0.7479, 0.2516]\n", + " PeriodicSite: P (4.81, 15.28, 15.45) [0.2368, 0.7525, 0.7606]\n", + " PeriodicSite: P (15.2, 5.231, 5.126) [0.7481, 0.2575, 0.2523]\n", + " PeriodicSite: P (14.94, 5.45, 14.88) [0.7355, 0.2683, 0.7328]\n", + " PeriodicSite: P (15.27, 15.06, 4.842) [0.7517, 0.7412, 0.2384]\n", + " PeriodicSite: P (15.5, 15.27, 15.45) [0.7631, 0.752, 0.7607]\n", + " PeriodicSite: P (0.1038, 20.17, 5.04) [0.005101, 0.9929, 0.2481]\n", + " PeriodicSite: P (0.0001681, 0.2155, 15.38) [1.239e-05, 0.01061, 0.7572]\n", + " PeriodicSite: P (20.31, 10.1, 5.171) [1.0, 0.4972, 0.2546]\n", + " PeriodicSite: P (20.22, 9.989, 15.17) [0.9955, 0.4918, 0.7471]\n", + " PeriodicSite: P (9.902, 0.1697, 5.004) [0.4875, 0.008348, 0.2463]\n", + " PeriodicSite: P (10.25, 0.6074, 15.0) [0.5048, 0.0299, 0.7387]\n", + " PeriodicSite: P (10.24, 10.05, 4.891) [0.5041, 0.4949, 0.2408]\n", + " PeriodicSite: P (10.0, 10.31, 15.42) [0.4924, 0.5077, 0.7589]\n", + " PeriodicSite: P (20.17, 5.066, 0.4673) [0.993, 0.2494, 0.02301]\n", + " PeriodicSite: P (20.12, 4.882, 9.919) [0.9906, 0.2404, 0.4883]\n", + " PeriodicSite: P (0.08541, 15.43, 20.15) [0.004203, 0.7595, 0.9918]\n", + " PeriodicSite: P (20.09, 15.37, 10.25) [0.9888, 0.7565, 0.5044]\n", + " PeriodicSite: P (10.23, 5.274, 0.09409) [0.5038, 0.2596, 0.004635]\n", + " PeriodicSite: P (9.892, 4.912, 10.04) [0.487, 0.2418, 0.4942]\n", + " PeriodicSite: P (10.18, 15.5, 0.1317) [0.5014, 0.7631, 0.006487]\n", + " PeriodicSite: P (10.32, 15.61, 9.964) [0.5081, 0.7686, 0.4906],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.316, 4.033, 6.052) [0.114, 0.1985, 0.2979]\n", + " PeriodicSite: Li (0.4218, 2.935, 17.96) [0.02077, 0.1445, 0.8844]\n", + " PeriodicSite: Li (3.085, 13.45, 9.904) [0.1519, 0.662, 0.4876]\n", + " PeriodicSite: Li (1.451, 13.56, 16.02) [0.07143, 0.6675, 0.7887]\n", + " PeriodicSite: Li (14.05, 1.115, 7.074) [0.6917, 0.05489, 0.3483]\n", + " PeriodicSite: Li (12.24, 3.671, 15.55) [0.6028, 0.1807, 0.7658]\n", + " PeriodicSite: Li (16.0, 11.87, 3.471) [0.7878, 0.5844, 0.1709]\n", + " PeriodicSite: Li (17.06, 9.735, 16.85) [0.8397, 0.4793, 0.8298]\n", + " PeriodicSite: Li (3.131, 4.316, 8.718) [0.1541, 0.2125, 0.4292]\n", + " PeriodicSite: Li (4.045, 20.24, 17.47) [0.1991, 0.9966, 0.8602]\n", + " PeriodicSite: Li (3.967, 8.49, 6.756) [0.1953, 0.418, 0.3326]\n", + " PeriodicSite: Li (7.045, 11.54, 14.89) [0.3468, 0.5681, 0.7333]\n", + " PeriodicSite: Li (12.17, 5.122, 7.068) [0.599, 0.2522, 0.348]\n", + " PeriodicSite: Li (13.81, 6.466, 19.53) [0.6799, 0.3183, 0.9614]\n", + " PeriodicSite: Li (11.25, 9.587, 11.88) [0.5539, 0.472, 0.585]\n", + " PeriodicSite: Li (9.974, 17.46, 17.29) [0.491, 0.8594, 0.8511]\n", + " PeriodicSite: Li (2.783, 0.4684, 5.984) [0.137, 0.02306, 0.2946]\n", + " PeriodicSite: Li (3.11, 2.304, 15.43) [0.1531, 0.1134, 0.7597]\n", + " PeriodicSite: Li (3.424, 11.98, 5.586) [0.1686, 0.5896, 0.275]\n", + " PeriodicSite: Li (4.852, 11.92, 17.0) [0.2389, 0.587, 0.8368]\n", + " PeriodicSite: Li (12.29, 0.6346, 9.63) [0.6051, 0.03124, 0.4741]\n", + " PeriodicSite: Li (9.769, 1.923, 18.53) [0.4809, 0.09469, 0.9121]\n", + " PeriodicSite: Li (13.48, 13.59, 9.899) [0.6637, 0.669, 0.4873]\n", + " PeriodicSite: Li (10.68, 11.93, 18.57) [0.5256, 0.5872, 0.9143]\n", + " PeriodicSite: Li (20.24, 2.559, 7.543) [0.9967, 0.126, 0.3714]\n", + " PeriodicSite: Li (3.192, 3.263, 20.08) [0.1572, 0.1606, 0.9888]\n", + " PeriodicSite: Li (20.11, 13.15, 7.616) [0.9902, 0.6472, 0.375]\n", + " PeriodicSite: Li (3.333, 13.28, 20.07) [0.1641, 0.6539, 0.9878]\n", + " PeriodicSite: Li (12.24, 3.041, 5.295) [0.6027, 0.1497, 0.2607]\n", + " PeriodicSite: Li (12.7, 0.8395, 16.27) [0.625, 0.04133, 0.8012]\n", + " PeriodicSite: Li (11.04, 10.94, 8.33) [0.5434, 0.5384, 0.4101]\n", + " PeriodicSite: Li (13.51, 15.08, 18.73) [0.6652, 0.7423, 0.922]\n", + " PeriodicSite: Li (5.965, 1.686, 6.031) [0.2937, 0.08301, 0.2969]\n", + " PeriodicSite: Li (1.678, 0.2197, 19.52) [0.08263, 0.01082, 0.9611]\n", + " PeriodicSite: Li (5.186, 12.86, 8.479) [0.2553, 0.6334, 0.4174]\n", + " PeriodicSite: Li (1.8, 17.43, 15.56) [0.08861, 0.8583, 0.7662]\n", + " PeriodicSite: Li (16.4, 3.744, 8.496) [0.8076, 0.1843, 0.4183]\n", + " PeriodicSite: Li (12.89, 3.721, 19.79) [0.6346, 0.1832, 0.9743]\n", + " PeriodicSite: Li (15.85, 15.69, 8.094) [0.7805, 0.7723, 0.3985]\n", + " PeriodicSite: Li (13.98, 13.63, 0.9629) [0.6884, 0.6708, 0.04741]\n", + " PeriodicSite: Li (5.387, 0.9625, 3.342) [0.2652, 0.04738, 0.1646]\n", + " PeriodicSite: Li (5.214, 3.084, 18.41) [0.2567, 0.1518, 0.9064]\n", + " PeriodicSite: Li (2.054, 14.73, 5.761) [0.1011, 0.7254, 0.2836]\n", + " PeriodicSite: Li (19.85, 12.15, 2.467) [0.9774, 0.5981, 0.1215]\n", + " PeriodicSite: Li (10.12, 1.811, 7.657) [0.4983, 0.08917, 0.377]\n", + " PeriodicSite: Li (17.14, 20.03, 17.27) [0.8438, 0.9862, 0.8502]\n", + " PeriodicSite: Li (15.31, 11.99, 6.641) [0.7537, 0.5902, 0.3269]\n", + " PeriodicSite: Li (13.13, 11.57, 15.71) [0.6466, 0.5695, 0.7733]\n", + " PeriodicSite: Li (3.221, 9.906, 17.06) [0.1586, 0.4877, 0.8397]\n", + " PeriodicSite: Li (2.006, 10.77, 8.469) [0.09876, 0.5301, 0.4169]\n", + " PeriodicSite: Li (3.297, 15.77, 18.65) [0.1623, 0.7765, 0.9182]\n", + " PeriodicSite: Li (1.249, 18.73, 9.745) [0.0615, 0.9219, 0.4798]\n", + " PeriodicSite: Li (13.37, 5.404, 1.884) [0.6585, 0.266, 0.09276]\n", + " PeriodicSite: Li (13.84, 8.948, 16.3) [0.6815, 0.4405, 0.8025]\n", + " PeriodicSite: Li (11.92, 14.48, 6.806) [0.5866, 0.7128, 0.3351]\n", + " PeriodicSite: Li (15.15, 18.42, 12.9) [0.746, 0.907, 0.6351]\n", + " PeriodicSite: Li (3.501, 6.745, 0.5236) [0.1724, 0.3321, 0.02578]\n", + " PeriodicSite: Li (2.8, 4.686, 11.69) [0.1378, 0.2307, 0.5757]\n", + " PeriodicSite: Li (4.685, 17.4, 0.6085) [0.2306, 0.8569, 0.02996]\n", + " PeriodicSite: Li (4.627, 18.08, 14.82) [0.2278, 0.8899, 0.7297]\n", + " PeriodicSite: Li (17.33, 6.27, 20.15) [0.853, 0.3087, 0.9922]\n", + " PeriodicSite: Li (10.38, 6.145, 12.41) [0.5111, 0.3025, 0.6111]\n", + " PeriodicSite: Li (13.16, 19.63, 4.435) [0.6479, 0.9664, 0.2183]\n", + " PeriodicSite: Li (10.93, 17.64, 13.69) [0.5383, 0.8684, 0.6742]\n", + " PeriodicSite: Li (0.2771, 8.272, 1.675) [0.01364, 0.4073, 0.08245]\n", + " PeriodicSite: Li (4.096, 7.127, 10.56) [0.2017, 0.3509, 0.5197]\n", + " PeriodicSite: Li (2.848, 15.63, 1.966) [0.1402, 0.7696, 0.09679]\n", + " PeriodicSite: Li (4.371, 17.09, 11.41) [0.2152, 0.8412, 0.5618]\n", + " PeriodicSite: Li (12.35, 9.638, 1.163) [0.6081, 0.4745, 0.05727]\n", + " PeriodicSite: Li (11.43, 7.348, 14.84) [0.5625, 0.3617, 0.7306]\n", + " PeriodicSite: Li (12.41, 15.88, 3.144) [0.6108, 0.7819, 0.1548]\n", + " PeriodicSite: Li (13.5, 15.63, 11.98) [0.6646, 0.7696, 0.5896]\n", + " PeriodicSite: Li (1.514, 6.598, 4.396) [0.07455, 0.3248, 0.2164]\n", + " PeriodicSite: Li (17.36, 6.384, 10.03) [0.8548, 0.3143, 0.4938]\n", + " PeriodicSite: Li (1.152, 17.82, 4.441) [0.05671, 0.8772, 0.2186]\n", + " PeriodicSite: Li (0.4746, 18.12, 12.74) [0.02336, 0.8923, 0.6272]\n", + " PeriodicSite: Li (10.72, 6.938, 3.344) [0.5279, 0.3415, 0.1646]\n", + " PeriodicSite: Li (14.45, 8.831, 13.28) [0.7115, 0.4347, 0.6538]\n", + " PeriodicSite: Li (13.4, 17.21, 0.497) [0.6596, 0.8473, 0.02447]\n", + " PeriodicSite: Li (7.869, 15.57, 15.83) [0.3874, 0.7667, 0.7796]\n", + " PeriodicSite: Li (4.722, 7.956, 3.937) [0.2325, 0.3917, 0.1938]\n", + " PeriodicSite: Li (0.6211, 8.025, 11.27) [0.03058, 0.3951, 0.5547]\n", + " PeriodicSite: Li (0.6551, 17.93, 1.502) [0.03224, 0.8829, 0.07397]\n", + " PeriodicSite: Li (2.821, 19.94, 13.89) [0.1389, 0.9818, 0.6837]\n", + " PeriodicSite: Li (15.15, 8.752, 2.702) [0.746, 0.4309, 0.133]\n", + " PeriodicSite: Li (12.63, 7.389, 10.36) [0.6216, 0.3638, 0.5101]\n", + " PeriodicSite: Li (12.67, 19.9, 0.7692) [0.6239, 0.9795, 0.03787]\n", + " PeriodicSite: Li (13.53, 16.94, 9.815) [0.6661, 0.8342, 0.4832]\n", + " PeriodicSite: Li (5.439, 4.786, 2.262) [0.2678, 0.2356, 0.1114]\n", + " PeriodicSite: Li (4.905, 8.154, 13.52) [0.2415, 0.4014, 0.6656]\n", + " PeriodicSite: Li (4.326, 17.78, 4.35) [0.213, 0.8755, 0.2141]\n", + " PeriodicSite: Li (1.95, 15.28, 13.46) [0.09601, 0.752, 0.6626]\n", + " PeriodicSite: Li (12.89, 10.94, 5.488) [0.6344, 0.5386, 0.2702]\n", + " PeriodicSite: Li (14.53, 6.268, 12.06) [0.7155, 0.3086, 0.5939]\n", + " PeriodicSite: Li (15.0, 18.4, 3.3) [0.7383, 0.9057, 0.1625]\n", + " PeriodicSite: Li (15.66, 2.491, 14.49) [0.7709, 0.1226, 0.7133]\n", + " PeriodicSite: Li (9.181, 3.927, 2.933) [0.452, 0.1933, 0.1444]\n", + " PeriodicSite: Li (9.462, 3.142, 13.63) [0.4658, 0.1547, 0.6712]\n", + " PeriodicSite: Li (7.439, 10.36, 2.61) [0.3662, 0.5102, 0.1285]\n", + " PeriodicSite: Li (3.517, 10.79, 13.54) [0.1732, 0.5314, 0.6668]\n", + " PeriodicSite: Li (17.0, 1.723, 5.008) [0.8367, 0.08483, 0.2466]\n", + " PeriodicSite: Li (13.69, 3.371, 9.729) [0.6741, 0.166, 0.479]\n", + " PeriodicSite: Li (17.88, 11.12, 0.855) [0.88, 0.5476, 0.0421]\n", + " PeriodicSite: Li (16.85, 10.01, 13.64) [0.8296, 0.4929, 0.6717]\n", + " PeriodicSite: Li (7.326, 19.09, 4.984) [0.3607, 0.9398, 0.2453]\n", + " PeriodicSite: Li (6.76, 2.037, 14.78) [0.3328, 0.1003, 0.7275]\n", + " PeriodicSite: Li (7.121, 13.38, 0.1041) [0.3506, 0.6589, 0.005129]\n", + " PeriodicSite: Li (10.02, 13.36, 13.76) [0.4931, 0.6578, 0.6776]\n", + " PeriodicSite: Li (15.31, 1.213, 2.984) [0.7536, 0.05969, 0.1469]\n", + " PeriodicSite: Li (20.0, 1.74, 11.89) [0.9848, 0.08564, 0.5853]\n", + " PeriodicSite: Li (18.38, 12.72, 4.915) [0.905, 0.626, 0.242]\n", + " PeriodicSite: Li (16.5, 14.81, 12.22) [0.8121, 0.7292, 0.6016]\n", + " PeriodicSite: Li (8.067, 5.259, 6.071) [0.3971, 0.2589, 0.2989]\n", + " PeriodicSite: Li (7.933, 0.1424, 11.69) [0.3906, 0.00701, 0.5753]\n", + " PeriodicSite: Li (9.58, 12.97, 4.271) [0.4716, 0.6385, 0.2102]\n", + " PeriodicSite: Li (7.188, 13.68, 10.61) [0.3539, 0.6737, 0.5224]\n", + " PeriodicSite: Li (20.17, 2.936, 3.107) [0.993, 0.1445, 0.153]\n", + " PeriodicSite: Li (19.42, 2.866, 14.84) [0.9561, 0.1411, 0.7307]\n", + " PeriodicSite: Li (16.79, 15.22, 1.719) [0.8264, 0.7493, 0.08466]\n", + " PeriodicSite: Li (14.94, 12.13, 13.05) [0.7357, 0.5971, 0.6425]\n", + " PeriodicSite: Li (1.99, 20.11, 2.311) [0.09794, 0.99, 0.1138]\n", + " PeriodicSite: Li (5.415, 0.8845, 12.84) [0.2666, 0.04354, 0.6321]\n", + " PeriodicSite: Li (5.203, 13.8, 2.008) [0.2562, 0.6794, 0.09885]\n", + " PeriodicSite: Li (8.282, 7.466, 15.36) [0.4077, 0.3676, 0.7563]\n", + " PeriodicSite: Li (18.36, 5.043, 3.605) [0.9037, 0.2483, 0.1775]\n", + " PeriodicSite: Li (17.04, 0.1808, 13.6) [0.8388, 0.008894, 0.6696]\n", + " PeriodicSite: Li (16.62, 14.16, 19.0) [0.8183, 0.6973, 0.9354]\n", + " PeriodicSite: Li (19.96, 11.61, 12.16) [0.9829, 0.5716, 0.5989]\n", + " PeriodicSite: Li (6.532, 3.162, 0.293) [0.3216, 0.1557, 0.01442]\n", + " PeriodicSite: Li (5.394, 2.7, 10.42) [0.2655, 0.1329, 0.5131]\n", + " PeriodicSite: Li (9.859, 11.99, 1.529) [0.4854, 0.5902, 0.0753]\n", + " PeriodicSite: Li (7.932, 10.73, 11.58) [0.3905, 0.5283, 0.5699]\n", + " PeriodicSite: Li (15.73, 4.319, 2.171) [0.7746, 0.2126, 0.1069]\n", + " PeriodicSite: Li (16.25, 3.249, 11.3) [0.8, 0.1599, 0.5564]\n", + " PeriodicSite: Li (0.5187, 12.38, 19.38) [0.02554, 0.6095, 0.9542]\n", + " PeriodicSite: Li (19.15, 14.69, 13.15) [0.9428, 0.7231, 0.6473]\n", + " PeriodicSite: Li (9.533, 0.6662, 2.182) [0.4693, 0.0328, 0.1074]\n", + " PeriodicSite: Li (9.002, 2.336, 10.72) [0.4432, 0.115, 0.5276]\n", + " PeriodicSite: Li (6.466, 12.08, 4.466) [0.3183, 0.5949, 0.2199]\n", + " PeriodicSite: Li (5.176, 14.04, 12.56) [0.2548, 0.6914, 0.6186]\n", + " PeriodicSite: Li (17.33, 2.918, 0.1783) [0.8532, 0.1436, 0.008782]\n", + " PeriodicSite: Li (1.29, 7.096, 14.78) [0.06349, 0.3494, 0.7275]\n", + " PeriodicSite: Li (3.715, 15.99, 8.535) [0.1829, 0.787, 0.4202]\n", + " PeriodicSite: Li (17.16, 12.97, 10.35) [0.8446, 0.6384, 0.5097]\n", + " PeriodicSite: Li (13.31, 8.419, 4.892) [0.6552, 0.4145, 0.2408]\n", + " PeriodicSite: Li (5.566, 8.259, 16.81) [0.274, 0.4066, 0.8277]\n", + " PeriodicSite: Li (7.086, 17.21, 10.06) [0.3489, 0.8475, 0.4954]\n", + " PeriodicSite: Li (6.994, 15.96, 18.8) [0.3443, 0.7855, 0.9256]\n", + " PeriodicSite: Li (15.62, 9.172, 7.171) [0.7689, 0.4515, 0.3531]\n", + " PeriodicSite: Li (3.114, 4.748, 17.72) [0.1533, 0.2338, 0.8725]\n", + " PeriodicSite: Li (17.73, 18.34, 5.506) [0.8731, 0.9028, 0.271]\n", + " PeriodicSite: Li (20.06, 18.04, 18.85) [0.9877, 0.888, 0.9279]\n", + " PeriodicSite: Li (7.137, 8.801, 5.945) [0.3514, 0.4333, 0.2927]\n", + " PeriodicSite: Li (8.623, 4.96, 16.9) [0.4245, 0.2442, 0.8318]\n", + " PeriodicSite: Li (8.113, 20.08, 8.083) [0.3994, 0.9885, 0.3979]\n", + " PeriodicSite: Li (7.009, 19.75, 15.65) [0.3451, 0.9723, 0.7704]\n", + " PeriodicSite: Li (17.94, 9.52, 9.464) [0.8831, 0.4687, 0.4659]\n", + " PeriodicSite: Li (17.81, 6.341, 15.57) [0.8769, 0.3122, 0.7664]\n", + " PeriodicSite: Li (18.26, 20.02, 8.387) [0.899, 0.9858, 0.4129]\n", + " PeriodicSite: Li (18.21, 16.06, 15.88) [0.8966, 0.7906, 0.7816]\n", + " PeriodicSite: Li (6.752, 5.478, 8.866) [0.3324, 0.2697, 0.4365]\n", + " PeriodicSite: Li (5.607, 5.899, 18.19) [0.276, 0.2904, 0.8956]\n", + " PeriodicSite: Li (10.07, 18.19, 8.983) [0.4956, 0.8956, 0.4422]\n", + " PeriodicSite: Li (12.4, 14.61, 16.17) [0.6105, 0.7193, 0.7962]\n", + " PeriodicSite: Li (19.82, 8.275, 8.267) [0.9758, 0.4074, 0.407]\n", + " PeriodicSite: Li (20.08, 6.659, 17.67) [0.9886, 0.3278, 0.8701]\n", + " PeriodicSite: Li (17.17, 16.79, 9.703) [0.8455, 0.8266, 0.4777]\n", + " PeriodicSite: Li (15.57, 17.49, 19.01) [0.7664, 0.861, 0.9361]\n", + " PeriodicSite: Li (9.41, 7.969, 8.797) [0.4633, 0.3923, 0.4331]\n", + " PeriodicSite: Li (7.32, 7.336, 19.99) [0.3604, 0.3612, 0.9842]\n", + " PeriodicSite: Li (5.693, 18.98, 7.348) [0.2803, 0.9342, 0.3617]\n", + " PeriodicSite: Li (8.464, 14.95, 2.608) [0.4167, 0.7361, 0.1284]\n", + " PeriodicSite: Li (15.3, 6.42, 8.091) [0.7531, 0.316, 0.3984]\n", + " PeriodicSite: Li (19.68, 9.669, 18.35) [0.9687, 0.476, 0.9035]\n", + " PeriodicSite: Li (15.62, 18.87, 6.998) [0.7689, 0.929, 0.3445]\n", + " PeriodicSite: Li (15.29, 18.25, 15.99) [0.7527, 0.8984, 0.7871]\n", + " PeriodicSite: Li (6.631, 4.806, 12.09) [0.3264, 0.2366, 0.595]\n", + " PeriodicSite: Li (7.603, 9.878, 18.17) [0.3743, 0.4863, 0.8945]\n", + " PeriodicSite: Li (9.859, 16.89, 6.359) [0.4854, 0.8317, 0.3131]\n", + " PeriodicSite: Li (10.49, 18.08, 1.978) [0.5166, 0.89, 0.09739]\n", + " PeriodicSite: Li (17.54, 8.872, 5.453) [0.8633, 0.4368, 0.2685]\n", + " PeriodicSite: Li (15.38, 3.398, 18.4) [0.757, 0.1673, 0.9059]\n", + " PeriodicSite: Li (19.2, 16.5, 7.256) [0.9452, 0.8121, 0.3572]\n", + " PeriodicSite: Li (18.33, 0.3311, 1.985) [0.9026, 0.01629, 0.09772]\n", + " PeriodicSite: Li (3.188, 10.32, 3.543) [0.1569, 0.5082, 0.1744]\n", + " PeriodicSite: Li (9.96, 8.191, 18.81) [0.4903, 0.4033, 0.9258]\n", + " PeriodicSite: Li (7.524, 15.49, 7.793) [0.3704, 0.7628, 0.3836]\n", + " PeriodicSite: Li (8.013, 19.69, 19.97) [0.3945, 0.9691, 0.9829]\n", + " PeriodicSite: Li (18.72, 5.883, 6.958) [0.9214, 0.2896, 0.3425]\n", + " PeriodicSite: Li (17.3, 12.26, 15.23) [0.8519, 0.6037, 0.7497]\n", + " PeriodicSite: Li (18.8, 15.42, 3.438) [0.9254, 0.759, 0.1693]\n", + " PeriodicSite: Li (13.25, 0.3294, 13.33) [0.6524, 0.01621, 0.6565]\n", + " PeriodicSite: Cl (7.994, 12.77, 12.82) [0.3935, 0.6286, 0.631]\n", + " PeriodicSite: Cl (2.267, 12.05, 17.91) [0.1116, 0.5933, 0.8819]\n", + " PeriodicSite: Cl (13.19, 17.88, 12.15) [0.6492, 0.8801, 0.5982]\n", + " PeriodicSite: Cl (18.0, 7.788, 18.08) [0.8859, 0.3834, 0.8903]\n", + " PeriodicSite: Cl (7.404, 2.301, 2.41) [0.3645, 0.1133, 0.1186]\n", + " PeriodicSite: Cl (7.881, 7.197, 7.33) [0.388, 0.3543, 0.3609]\n", + " PeriodicSite: Cl (12.8, 12.46, 7.396) [0.6303, 0.6135, 0.3641]\n", + " PeriodicSite: Cl (2.424, 7.619, 2.65) [0.1193, 0.3751, 0.1305]\n", + " PeriodicSite: Cl (2.673, 7.948, 12.78) [0.1316, 0.3913, 0.629]\n", + " PeriodicSite: Cl (12.61, 12.87, 17.88) [0.621, 0.6334, 0.8802]\n", + " PeriodicSite: Cl (17.51, 17.83, 17.58) [0.862, 0.8778, 0.8654]\n", + " PeriodicSite: Cl (2.335, 2.489, 7.476) [0.1149, 0.1225, 0.3681]\n", + " PeriodicSite: Cl (12.73, 2.954, 17.52) [0.6266, 0.1454, 0.8624]\n", + " PeriodicSite: Cl (12.89, 7.711, 2.823) [0.6347, 0.3796, 0.139]\n", + " PeriodicSite: Cl (17.53, 2.397, 13.24) [0.8632, 0.118, 0.6519]\n", + " PeriodicSite: Cl (7.749, 17.83, 17.43) [0.3815, 0.878, 0.8582]\n", + " PeriodicSite: Cl (20.01, 20.23, 0.1748) [0.985, 0.996, 0.008611]\n", + " PeriodicSite: Cl (19.9, 20.13, 10.58) [0.9795, 0.991, 0.5208]\n", + " PeriodicSite: Cl (20.31, 10.42, 0.08978) [0.9998, 0.513, 0.004426]\n", + " PeriodicSite: Cl (20.31, 10.11, 9.888) [0.9998, 0.4979, 0.4868]\n", + " PeriodicSite: Cl (10.17, 0.1068, 0.05324) [0.5008, 0.005256, 0.002624]\n", + " PeriodicSite: Cl (9.93, 0.2714, 9.719) [0.4888, 0.01336, 0.4785]\n", + " PeriodicSite: Cl (10.2, 10.24, 0.1619) [0.5021, 0.5043, 0.007972]\n", + " PeriodicSite: Cl (10.02, 9.972, 10.09) [0.4934, 0.4909, 0.4968]\n", + " PeriodicSite: Cl (0.1321, 4.517, 4.997) [0.006505, 0.2224, 0.246]\n", + " PeriodicSite: Cl (20.14, 5.456, 15.58) [0.9916, 0.2686, 0.7668]\n", + " PeriodicSite: Cl (20.22, 15.78, 5.363) [0.9952, 0.7766, 0.264]\n", + " PeriodicSite: Cl (0.01583, 15.15, 15.32) [0.0007768, 0.7458, 0.7544]\n", + " PeriodicSite: Cl (10.51, 4.786, 4.892) [0.5174, 0.2356, 0.2408]\n", + " PeriodicSite: Cl (9.937, 5.265, 14.92) [0.4892, 0.2592, 0.7346]\n", + " PeriodicSite: Cl (10.35, 14.99, 4.901) [0.5094, 0.7379, 0.2413]\n", + " PeriodicSite: Cl (10.58, 15.67, 15.35) [0.5207, 0.7716, 0.7557]\n", + " PeriodicSite: S (5.118, 19.84, 5.3) [0.2519, 0.9768, 0.2609]\n", + " PeriodicSite: S (4.789, 0.2753, 15.07) [0.2358, 0.01355, 0.7418]\n", + " PeriodicSite: S (4.851, 9.976, 4.984) [0.2388, 0.4911, 0.2454]\n", + " PeriodicSite: S (4.818, 10.1, 15.43) [0.2372, 0.497, 0.7596]\n", + " PeriodicSite: S (15.25, 0.05286, 5.119) [0.7506, 0.002596, 0.252]\n", + " PeriodicSite: S (14.91, 0.1177, 14.89) [0.7338, 0.005788, 0.7331]\n", + " PeriodicSite: S (15.22, 10.02, 5.041) [0.7494, 0.4934, 0.2482]\n", + " PeriodicSite: S (15.2, 10.41, 15.19) [0.7485, 0.5125, 0.7481]\n", + " PeriodicSite: S (4.845, 4.812, 0.06114) [0.2385, 0.2369, 0.003012]\n", + " PeriodicSite: S (4.888, 4.966, 10.17) [0.2406, 0.2445, 0.5008]\n", + " PeriodicSite: S (4.927, 15.13, 20.17) [0.2425, 0.7447, 0.9929]\n", + " PeriodicSite: S (5.095, 15.22, 10.3) [0.2508, 0.7493, 0.5073]\n", + " PeriodicSite: S (15.04, 4.793, 20.31) [0.7405, 0.236, 0.9999]\n", + " PeriodicSite: S (15.26, 5.134, 10.07) [0.7513, 0.2527, 0.4956]\n", + " PeriodicSite: S (15.18, 15.33, 0.04458) [0.7475, 0.7548, 0.0022]\n", + " PeriodicSite: S (15.12, 15.19, 10.22) [0.7444, 0.748, 0.5033]\n", + " PeriodicSite: S (8.671, 3.664, 8.627) [0.4269, 0.1804, 0.4247]\n", + " PeriodicSite: S (8.59, 3.948, 19.48) [0.4229, 0.1944, 0.9591]\n", + " PeriodicSite: S (9.06, 13.92, 9.027) [0.446, 0.6852, 0.4444]\n", + " PeriodicSite: S (9.337, 14.19, 19.08) [0.4597, 0.6985, 0.9394]\n", + " PeriodicSite: S (18.82, 3.949, 8.552) [0.9266, 0.1944, 0.421]\n", + " PeriodicSite: S (18.9, 4.247, 19.05) [0.9305, 0.2091, 0.9377]\n", + " PeriodicSite: S (18.71, 14.49, 8.995) [0.9211, 0.7136, 0.4428]\n", + " PeriodicSite: S (19.5, 14.3, 18.78) [0.9602, 0.704, 0.9245]\n", + " PeriodicSite: S (3.803, 1.334, 1.452) [0.1872, 0.06567, 0.07148]\n", + " PeriodicSite: S (3.774, 1.099, 11.31) [0.1858, 0.05412, 0.557]\n", + " PeriodicSite: S (3.458, 11.05, 1.147) [0.1702, 0.5441, 0.05645]\n", + " PeriodicSite: S (3.918, 11.73, 11.48) [0.1929, 0.5777, 0.565]\n", + " PeriodicSite: S (14.14, 1.423, 1.009) [0.6963, 0.07004, 0.04969]\n", + " PeriodicSite: S (14.01, 1.224, 11.29) [0.69, 0.06028, 0.5558]\n", + " PeriodicSite: S (14.63, 11.09, 1.493) [0.7202, 0.546, 0.07349]\n", + " PeriodicSite: S (13.35, 11.14, 11.08) [0.6571, 0.5483, 0.5457]\n", + " PeriodicSite: S (6.053, 0.7493, 8.99) [0.298, 0.03689, 0.4426]\n", + " PeriodicSite: S (6.245, 1.112, 19.19) [0.3075, 0.05473, 0.9445]\n", + " PeriodicSite: S (6.416, 10.95, 9.032) [0.3159, 0.5393, 0.4447]\n", + " PeriodicSite: S (5.885, 11.54, 19.18) [0.2897, 0.5681, 0.9444]\n", + " PeriodicSite: S (16.49, 1.356, 9.041) [0.812, 0.06676, 0.4451]\n", + " PeriodicSite: S (16.5, 1.249, 19.03) [0.8125, 0.0615, 0.937]\n", + " PeriodicSite: S (15.98, 11.24, 8.984) [0.7869, 0.5533, 0.4423]\n", + " PeriodicSite: S (16.66, 11.48, 19.07) [0.8201, 0.5652, 0.9387]\n", + " PeriodicSite: S (1.08, 3.602, 1.15) [0.05315, 0.1774, 0.0566]\n", + " PeriodicSite: S (1.213, 3.265, 10.58) [0.05972, 0.1607, 0.5211]\n", + " PeriodicSite: S (1.102, 13.87, 1.152) [0.05425, 0.6829, 0.05671]\n", + " PeriodicSite: S (0.9634, 13.86, 11.59) [0.04743, 0.6825, 0.5706]\n", + " PeriodicSite: S (11.22, 4.003, 1.263) [0.5523, 0.1971, 0.06218]\n", + " PeriodicSite: S (10.69, 3.881, 11.41) [0.5262, 0.1911, 0.5617]\n", + " PeriodicSite: S (11.29, 14.32, 1.62) [0.5558, 0.705, 0.07975]\n", + " PeriodicSite: S (11.47, 14.1, 11.42) [0.5644, 0.694, 0.5623]\n", + " PeriodicSite: S (2.642, 2.462, 17.96) [0.1301, 0.1212, 0.8843]\n", + " PeriodicSite: S (2.688, 12.82, 7.673) [0.1323, 0.6313, 0.3778]\n", + " PeriodicSite: S (12.48, 2.703, 7.638) [0.6144, 0.1331, 0.376]\n", + " PeriodicSite: S (8.951, 8.534, 3.594) [0.4406, 0.4201, 0.177]\n", + " PeriodicSite: S (8.874, 9.567, 14.21) [0.4369, 0.471, 0.6994]\n", + " PeriodicSite: S (9.164, 19.0, 3.53) [0.4511, 0.9352, 0.1738]\n", + " PeriodicSite: S (9.014, 19.56, 13.72) [0.4438, 0.9627, 0.6755]\n", + " PeriodicSite: S (19.22, 9.275, 3.536) [0.9461, 0.4566, 0.1741]\n", + " PeriodicSite: S (19.51, 9.123, 13.87) [0.9607, 0.4491, 0.6828]\n", + " PeriodicSite: S (19.26, 19.02, 3.81) [0.9481, 0.9363, 0.1876]\n", + " PeriodicSite: S (19.41, 18.9, 14.46) [0.9557, 0.9307, 0.7117]\n", + " PeriodicSite: S (3.593, 6.193, 6.03) [0.1769, 0.3049, 0.2969]\n", + " PeriodicSite: S (3.965, 6.539, 16.29) [0.1952, 0.3219, 0.802]\n", + " PeriodicSite: S (3.97, 16.36, 6.221) [0.1955, 0.8052, 0.3062]\n", + " PeriodicSite: S (4.119, 16.55, 16.46) [0.2028, 0.8146, 0.8104]\n", + " PeriodicSite: S (14.05, 6.755, 6.215) [0.6918, 0.3325, 0.306]\n", + " PeriodicSite: S (13.49, 6.47, 16.36) [0.6639, 0.3185, 0.8054]\n", + " PeriodicSite: S (14.11, 16.1, 6.406) [0.6947, 0.7925, 0.3154]\n", + " PeriodicSite: S (14.02, 16.36, 16.53) [0.6902, 0.8054, 0.814]\n", + " PeriodicSite: S (6.247, 6.058, 4.129) [0.3075, 0.2982, 0.2033]\n", + " PeriodicSite: S (6.488, 6.137, 13.92) [0.3194, 0.3021, 0.6854]\n", + " PeriodicSite: S (6.356, 16.27, 3.816) [0.3129, 0.8012, 0.1879]\n", + " PeriodicSite: S (6.214, 16.41, 14.11) [0.3059, 0.808, 0.6947]\n", + " PeriodicSite: S (16.47, 6.596, 3.702) [0.8108, 0.3247, 0.1822]\n", + " PeriodicSite: S (15.83, 6.907, 14.24) [0.7793, 0.3401, 0.7009]\n", + " PeriodicSite: S (16.46, 16.51, 3.921) [0.8102, 0.8128, 0.193]\n", + " PeriodicSite: S (16.49, 16.46, 14.07) [0.8116, 0.8105, 0.6928]\n", + " PeriodicSite: S (1.163, 8.788, 6.196) [0.05725, 0.4326, 0.305]\n", + " PeriodicSite: S (1.17, 9.007, 16.55) [0.05761, 0.4434, 0.8148]\n", + " PeriodicSite: S (1.306, 19.27, 6.434) [0.06431, 0.9487, 0.3167]\n", + " PeriodicSite: S (1.467, 19.57, 16.71) [0.07223, 0.9636, 0.8226]\n", + " PeriodicSite: S (11.33, 9.031, 6.147) [0.5577, 0.4446, 0.3026]\n", + " PeriodicSite: S (11.26, 8.828, 16.62) [0.5546, 0.4346, 0.8181]\n", + " PeriodicSite: S (11.19, 19.42, 6.495) [0.5507, 0.956, 0.3198]\n", + " PeriodicSite: S (11.2, 19.46, 16.3) [0.5513, 0.9578, 0.8022]\n", + " PeriodicSite: S (2.632, 17.79, 2.591) [0.1296, 0.8758, 0.1276]\n", + " PeriodicSite: S (2.632, 17.63, 13.22) [0.1296, 0.8678, 0.6509]\n", + " PeriodicSite: S (12.41, 7.399, 12.63) [0.611, 0.3643, 0.622]\n", + " PeriodicSite: S (12.63, 18.17, 2.498) [0.6216, 0.8946, 0.123]\n", + " PeriodicSite: S (3.993, 3.585, 4.016) [0.1966, 0.1765, 0.1977]\n", + " PeriodicSite: S (3.984, 3.882, 14.02) [0.1961, 0.1911, 0.6903]\n", + " PeriodicSite: S (3.912, 13.86, 4.071) [0.1926, 0.6821, 0.2004]\n", + " PeriodicSite: S (3.847, 13.8, 14.51) [0.1894, 0.6794, 0.7141]\n", + " PeriodicSite: S (13.98, 4.398, 3.856) [0.6883, 0.2165, 0.1898]\n", + " PeriodicSite: S (14.0, 4.177, 13.93) [0.6895, 0.2056, 0.6858]\n", + " PeriodicSite: S (14.19, 13.86, 3.956) [0.6984, 0.6825, 0.1947]\n", + " PeriodicSite: S (13.96, 14.21, 14.11) [0.6872, 0.6998, 0.6945]\n", + " PeriodicSite: S (8.722, 1.084, 5.96) [0.4294, 0.05335, 0.2934]\n", + " PeriodicSite: S (8.558, 1.214, 16.2) [0.4213, 0.05975, 0.7976]\n", + " PeriodicSite: S (8.779, 11.24, 5.856) [0.4322, 0.5536, 0.2883]\n", + " PeriodicSite: S (8.894, 11.33, 16.92) [0.4379, 0.5576, 0.8331]\n", + " PeriodicSite: S (18.97, 0.9315, 6.328) [0.9338, 0.04585, 0.3115]\n", + " PeriodicSite: S (19.0, 0.9385, 16.82) [0.9354, 0.0462, 0.8281]\n", + " PeriodicSite: S (19.12, 10.96, 6.145) [0.9413, 0.5397, 0.3026]\n", + " PeriodicSite: S (19.1, 11.11, 16.45) [0.9405, 0.547, 0.8101]\n", + " PeriodicSite: S (1.198, 1.279, 4.09) [0.05898, 0.06299, 0.2013]\n", + " PeriodicSite: S (0.8124, 1.525, 14.19) [0.04, 0.07506, 0.6988]\n", + " PeriodicSite: S (1.319, 11.46, 4.166) [0.06495, 0.5641, 0.2051]\n", + " PeriodicSite: S (1.341, 11.68, 14.41) [0.066, 0.5752, 0.7094]\n", + " PeriodicSite: S (11.36, 1.035, 3.813) [0.5594, 0.05094, 0.1877]\n", + " PeriodicSite: S (11.38, 1.752, 14.2) [0.56, 0.08627, 0.6993]\n", + " PeriodicSite: S (11.21, 11.25, 3.53) [0.5518, 0.5541, 0.1738]\n", + " PeriodicSite: S (11.31, 11.5, 14.49) [0.5567, 0.5659, 0.7132]\n", + " PeriodicSite: S (6.011, 3.994, 6.692) [0.2959, 0.1966, 0.3294]\n", + " PeriodicSite: S (6.449, 3.994, 16.48) [0.3175, 0.1966, 0.8111]\n", + " PeriodicSite: S (6.529, 14.02, 6.396) [0.3214, 0.6901, 0.3149]\n", + " PeriodicSite: S (6.278, 14.01, 16.62) [0.3091, 0.6899, 0.8182]\n", + " PeriodicSite: S (16.56, 4.292, 5.947) [0.8154, 0.2113, 0.2928]\n", + " PeriodicSite: S (16.32, 4.452, 16.11) [0.8034, 0.2192, 0.7933]\n", + " PeriodicSite: S (16.72, 13.94, 6.259) [0.8229, 0.6864, 0.3081]\n", + " PeriodicSite: S (16.51, 14.15, 16.54) [0.8126, 0.6964, 0.8142]\n", + " PeriodicSite: S (7.528, 2.338, 12.4) [0.3706, 0.1151, 0.6102]\n", + " PeriodicSite: S (7.553, 12.76, 2.437) [0.3719, 0.6284, 0.12]\n", + " PeriodicSite: S (17.63, 2.673, 2.596) [0.868, 0.1316, 0.1278]\n", + " PeriodicSite: S (17.81, 13.0, 2.67) [0.8767, 0.6402, 0.1315]\n", + " PeriodicSite: S (17.32, 12.61, 12.66) [0.8524, 0.6208, 0.6231]\n", + " PeriodicSite: S (3.469, 9.18, 9.212) [0.1708, 0.452, 0.4535]\n", + " PeriodicSite: S (4.091, 8.626, 19.0) [0.2014, 0.4247, 0.9355]\n", + " PeriodicSite: S (3.742, 18.63, 9.148) [0.1842, 0.9173, 0.4504]\n", + " PeriodicSite: S (3.757, 19.12, 19.46) [0.185, 0.9411, 0.9582]\n", + " PeriodicSite: S (13.76, 8.769, 8.808) [0.6777, 0.4317, 0.4336]\n", + " PeriodicSite: S (14.06, 9.308, 18.93) [0.6923, 0.4582, 0.9322]\n", + " PeriodicSite: S (14.08, 19.21, 8.98) [0.6933, 0.946, 0.4421]\n", + " PeriodicSite: S (13.94, 19.3, 19.14) [0.6865, 0.9503, 0.9421]\n", + " PeriodicSite: S (9.401, 6.877, 0.9926) [0.4628, 0.3386, 0.04887]\n", + " PeriodicSite: S (8.501, 6.38, 10.8) [0.4185, 0.3141, 0.5317]\n", + " PeriodicSite: S (8.753, 16.57, 0.9447) [0.4309, 0.8157, 0.04651]\n", + " PeriodicSite: S (9.166, 16.48, 11.38) [0.4513, 0.8112, 0.5604]\n", + " PeriodicSite: S (19.15, 6.173, 1.332) [0.9427, 0.3039, 0.0656]\n", + " PeriodicSite: S (19.4, 6.061, 11.33) [0.955, 0.2984, 0.5577]\n", + " PeriodicSite: S (18.99, 16.4, 1.188) [0.9348, 0.8071, 0.0585]\n", + " PeriodicSite: S (19.01, 16.43, 11.47) [0.9358, 0.8091, 0.5645]\n", + " PeriodicSite: S (1.15, 6.004, 8.792) [0.05661, 0.2956, 0.4328]\n", + " PeriodicSite: S (1.419, 6.306, 19.5) [0.06984, 0.3104, 0.9598]\n", + " PeriodicSite: S (1.186, 16.26, 9.211) [0.05837, 0.8006, 0.4535]\n", + " PeriodicSite: S (1.279, 16.57, 19.62) [0.06297, 0.8159, 0.9659]\n", + " PeriodicSite: S (11.23, 6.041, 8.951) [0.5528, 0.2974, 0.4407]\n", + " PeriodicSite: S (11.37, 5.966, 18.79) [0.5599, 0.2937, 0.9249]\n", + " PeriodicSite: S (11.5, 16.05, 8.758) [0.5661, 0.7899, 0.4312]\n", + " PeriodicSite: S (11.47, 16.53, 19.24) [0.5645, 0.8139, 0.947]\n", + " PeriodicSite: S (6.139, 8.954, 1.114) [0.3022, 0.4408, 0.05483]\n", + " PeriodicSite: S (5.872, 8.939, 11.5) [0.2891, 0.4401, 0.5661]\n", + " PeriodicSite: S (6.123, 19.21, 1.533) [0.3014, 0.9458, 0.0755]\n", + " PeriodicSite: S (6.031, 19.0, 11.66) [0.2969, 0.9356, 0.5739]\n", + " PeriodicSite: S (16.67, 8.607, 0.8263) [0.8204, 0.4237, 0.04068]\n", + " PeriodicSite: S (16.05, 8.904, 11.32) [0.79, 0.4383, 0.5573]\n", + " PeriodicSite: S (16.18, 19.1, 1.18) [0.7966, 0.9403, 0.0581]\n", + " PeriodicSite: S (16.49, 19.29, 11.28) [0.8117, 0.9496, 0.5555]\n", + " PeriodicSite: S (7.589, 7.31, 17.65) [0.3736, 0.3599, 0.8688]\n", + " PeriodicSite: S (7.789, 17.85, 7.712) [0.3835, 0.879, 0.3796]\n", + " PeriodicSite: S (17.58, 7.758, 7.872) [0.8653, 0.3819, 0.3876]\n", + " PeriodicSite: S (17.63, 17.92, 7.725) [0.868, 0.8822, 0.3803]\n", + " PeriodicSite: P (5.021, 0.03714, 0.3158) [0.2472, 0.001826, 0.01555]\n", + " PeriodicSite: P (4.842, 19.98, 10.25) [0.2384, 0.9838, 0.5047]\n", + " PeriodicSite: P (4.847, 10.14, 20.24) [0.2386, 0.4993, 0.9964]\n", + " PeriodicSite: P (4.982, 10.28, 10.29) [0.2453, 0.5059, 0.5065]\n", + " PeriodicSite: P (15.23, 0.1738, 20.27) [0.7498, 0.008551, 0.9981]\n", + " PeriodicSite: P (15.29, 0.1043, 10.2) [0.7525, 0.00513, 0.5023]\n", + " PeriodicSite: P (15.6, 9.991, 20.11) [0.7679, 0.4919, 0.9902]\n", + " PeriodicSite: P (14.76, 9.998, 10.1) [0.7264, 0.4922, 0.4971]\n", + " PeriodicSite: P (4.972, 4.867, 5.235) [0.2448, 0.2396, 0.2577]\n", + " PeriodicSite: P (5.126, 5.132, 15.12) [0.2524, 0.2527, 0.7443]\n", + " PeriodicSite: P (5.292, 15.16, 5.164) [0.2605, 0.7462, 0.2543]\n", + " PeriodicSite: P (5.131, 15.2, 15.45) [0.2526, 0.7485, 0.7605]\n", + " PeriodicSite: P (15.22, 5.475, 4.924) [0.7494, 0.2695, 0.2424]\n", + " PeriodicSite: P (14.85, 5.444, 15.27) [0.7311, 0.268, 0.7517]\n", + " PeriodicSite: P (15.34, 15.05, 5.18) [0.755, 0.7411, 0.255]\n", + " PeriodicSite: P (15.24, 15.2, 15.3) [0.7504, 0.7484, 0.7533]\n", + " PeriodicSite: P (0.02279, 20.23, 5.141) [0.001114, 0.9962, 0.2531]\n", + " PeriodicSite: P (0.02344, 0.08895, 15.43) [0.001158, 0.00438, 0.7596]\n", + " PeriodicSite: P (0.1181, 9.97, 4.991) [0.005813, 0.4909, 0.2457]\n", + " PeriodicSite: P (0.1134, 10.25, 15.23) [0.005581, 0.5045, 0.7499]\n", + " PeriodicSite: P (10.18, 20.27, 4.997) [0.501, 0.9977, 0.246]\n", + " PeriodicSite: P (10.1, 0.327, 15.1) [0.4974, 0.01609, 0.7433]\n", + " PeriodicSite: P (10.03, 9.958, 4.788) [0.4938, 0.4902, 0.2357]\n", + " PeriodicSite: P (10.2, 10.23, 15.68) [0.5021, 0.5037, 0.7721]\n", + " PeriodicSite: P (0.03208, 4.967, 0.132) [0.001577, 0.2445, 0.0065]\n", + " PeriodicSite: P (20.25, 4.785, 9.876) [0.9967, 0.2355, 0.4862]\n", + " PeriodicSite: P (20.31, 15.22, 0.06011) [0.9999, 0.749, 0.002966]\n", + " PeriodicSite: P (20.26, 15.19, 10.32) [0.9974, 0.748, 0.5079]\n", + " PeriodicSite: P (10.08, 5.183, 20.23) [0.4962, 0.2551, 0.9958]\n", + " PeriodicSite: P (9.707, 4.952, 9.798) [0.4779, 0.2438, 0.4824]\n", + " PeriodicSite: P (10.19, 15.38, 0.1) [0.5018, 0.7569, 0.004929]\n", + " PeriodicSite: P (10.25, 15.16, 10.16) [0.5047, 0.7465, 0.5002],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.164, 3.357, 5.271) [0.1066, 0.1653, 0.2595]\n", + " PeriodicSite: Li (0.5884, 2.791, 18.25) [0.02897, 0.1374, 0.8983]\n", + " PeriodicSite: Li (2.833, 13.36, 10.3) [0.1395, 0.6575, 0.5072]\n", + " PeriodicSite: Li (1.571, 13.48, 15.32) [0.07732, 0.6634, 0.7542]\n", + " PeriodicSite: Li (15.14, 1.297, 6.835) [0.7454, 0.06384, 0.3365]\n", + " PeriodicSite: Li (11.86, 4.461, 16.32) [0.5838, 0.2196, 0.8036]\n", + " PeriodicSite: Li (16.08, 12.27, 3.504) [0.7919, 0.6041, 0.1725]\n", + " PeriodicSite: Li (16.84, 10.54, 17.03) [0.8288, 0.5188, 0.8384]\n", + " PeriodicSite: Li (2.932, 4.065, 9.093) [0.1444, 0.2001, 0.4476]\n", + " PeriodicSite: Li (4.171, 19.64, 17.27) [0.2053, 0.967, 0.8501]\n", + " PeriodicSite: Li (4.195, 8.564, 6.344) [0.2065, 0.4216, 0.3123]\n", + " PeriodicSite: Li (7.232, 10.8, 14.74) [0.3561, 0.5319, 0.7257]\n", + " PeriodicSite: Li (12.2, 4.972, 6.908) [0.6007, 0.2448, 0.3401]\n", + " PeriodicSite: Li (13.66, 6.24, 18.85) [0.6725, 0.3072, 0.9281]\n", + " PeriodicSite: Li (11.76, 10.61, 12.26) [0.5789, 0.5223, 0.6035]\n", + " PeriodicSite: Li (9.914, 17.88, 18.06) [0.4881, 0.88, 0.8891]\n", + " PeriodicSite: Li (2.854, 0.4552, 5.81) [0.1405, 0.02241, 0.2861]\n", + " PeriodicSite: Li (3.036, 2.083, 15.62) [0.1494, 0.1026, 0.7688]\n", + " PeriodicSite: Li (3.45, 11.85, 5.574) [0.1699, 0.5834, 0.2744]\n", + " PeriodicSite: Li (4.86, 12.24, 16.08) [0.2393, 0.6025, 0.7916]\n", + " PeriodicSite: Li (12.51, 0.6842, 8.665) [0.616, 0.03368, 0.4266]\n", + " PeriodicSite: Li (10.52, 1.73, 18.26) [0.518, 0.08514, 0.899]\n", + " PeriodicSite: Li (13.18, 13.58, 9.727) [0.6489, 0.6683, 0.4789]\n", + " PeriodicSite: Li (10.68, 12.04, 18.4) [0.5258, 0.5928, 0.9058]\n", + " PeriodicSite: Li (0.02433, 3.174, 7.324) [0.001198, 0.1563, 0.3605]\n", + " PeriodicSite: Li (3.165, 3.511, 20.21) [0.1558, 0.1729, 0.9947]\n", + " PeriodicSite: Li (0.4105, 12.68, 8.485) [0.02021, 0.6244, 0.4177]\n", + " PeriodicSite: Li (4.508, 13.03, 19.33) [0.2219, 0.6414, 0.9518]\n", + " PeriodicSite: Li (12.76, 2.776, 5.185) [0.628, 0.1367, 0.2553]\n", + " PeriodicSite: Li (13.52, 19.94, 16.61) [0.6654, 0.9818, 0.8178]\n", + " PeriodicSite: Li (10.35, 11.07, 7.769) [0.5095, 0.5448, 0.3825]\n", + " PeriodicSite: Li (13.6, 15.17, 18.49) [0.6697, 0.747, 0.9105]\n", + " PeriodicSite: Li (5.203, 2.048, 6.696) [0.2562, 0.1008, 0.3297]\n", + " PeriodicSite: Li (1.663, 0.2347, 19.12) [0.0819, 0.01155, 0.9413]\n", + " PeriodicSite: Li (4.646, 12.95, 8.361) [0.2287, 0.6376, 0.4116]\n", + " PeriodicSite: Li (1.071, 17.41, 14.96) [0.05272, 0.8571, 0.7366]\n", + " PeriodicSite: Li (16.19, 3.512, 8.581) [0.7969, 0.1729, 0.4224]\n", + " PeriodicSite: Li (12.99, 3.423, 20.06) [0.6395, 0.1685, 0.9878]\n", + " PeriodicSite: Li (15.85, 15.39, 8.228) [0.7801, 0.7576, 0.4051]\n", + " PeriodicSite: Li (13.94, 13.65, 1.415) [0.6861, 0.6721, 0.06967]\n", + " PeriodicSite: Li (5.643, 1.055, 3.179) [0.2778, 0.05193, 0.1565]\n", + " PeriodicSite: Li (5.126, 2.967, 18.31) [0.2524, 0.1461, 0.9012]\n", + " PeriodicSite: Li (2.024, 14.4, 5.679) [0.09962, 0.7089, 0.2796]\n", + " PeriodicSite: Li (20.22, 12.01, 2.466) [0.9953, 0.5915, 0.1214]\n", + " PeriodicSite: Li (10.31, 2.635, 7.117) [0.5075, 0.1297, 0.3504]\n", + " PeriodicSite: Li (17.26, 0.05897, 17.09) [0.8499, 0.002896, 0.8415]\n", + " PeriodicSite: Li (15.29, 12.15, 6.731) [0.7526, 0.5982, 0.3314]\n", + " PeriodicSite: Li (14.36, 12.32, 16.22) [0.7072, 0.6065, 0.7985]\n", + " PeriodicSite: Li (3.103, 10.25, 16.98) [0.1528, 0.5046, 0.836]\n", + " PeriodicSite: Li (1.671, 10.63, 8.153) [0.08228, 0.5235, 0.4014]\n", + " PeriodicSite: Li (3.58, 16.18, 19.05) [0.1763, 0.7963, 0.9376]\n", + " PeriodicSite: Li (1.417, 19.22, 8.755) [0.06976, 0.9464, 0.431]\n", + " PeriodicSite: Li (13.59, 5.878, 1.741) [0.6691, 0.2894, 0.0857]\n", + " PeriodicSite: Li (13.92, 9.312, 16.33) [0.6855, 0.4584, 0.8041]\n", + " PeriodicSite: Li (12.14, 14.85, 6.834) [0.5978, 0.7313, 0.3364]\n", + " PeriodicSite: Li (14.89, 17.88, 13.13) [0.7329, 0.8805, 0.6462]\n", + " PeriodicSite: Li (3.72, 6.81, 0.05915) [0.1831, 0.3352, 0.002914]\n", + " PeriodicSite: Li (3.102, 4.751, 11.82) [0.1527, 0.2339, 0.582]\n", + " PeriodicSite: Li (4.894, 17.09, 2.123) [0.2409, 0.8413, 0.1045]\n", + " PeriodicSite: Li (4.576, 18.03, 14.4) [0.2253, 0.8875, 0.709]\n", + " PeriodicSite: Li (17.08, 6.473, 20.02) [0.8408, 0.3187, 0.9855]\n", + " PeriodicSite: Li (10.35, 6.61, 12.55) [0.5095, 0.3254, 0.618]\n", + " PeriodicSite: Li (13.06, 19.17, 4.434) [0.6431, 0.9439, 0.2183]\n", + " PeriodicSite: Li (10.51, 17.25, 13.14) [0.5176, 0.8495, 0.6469]\n", + " PeriodicSite: Li (0.6506, 8.409, 1.274) [0.03202, 0.414, 0.06272]\n", + " PeriodicSite: Li (4.38, 7.285, 10.43) [0.2156, 0.3586, 0.5137]\n", + " PeriodicSite: Li (2.767, 15.69, 1.118) [0.1362, 0.7723, 0.05503]\n", + " PeriodicSite: Li (3.862, 17.17, 10.79) [0.1901, 0.8451, 0.5313]\n", + " PeriodicSite: Li (12.07, 9.901, 1.675) [0.5941, 0.4874, 0.08248]\n", + " PeriodicSite: Li (11.6, 7.767, 14.72) [0.5708, 0.3824, 0.7248]\n", + " PeriodicSite: Li (12.61, 15.92, 3.834) [0.6207, 0.784, 0.1887]\n", + " PeriodicSite: Li (13.23, 15.27, 12.01) [0.6515, 0.7517, 0.5915]\n", + " PeriodicSite: Li (1.183, 7.334, 4.467) [0.05822, 0.361, 0.2199]\n", + " PeriodicSite: Li (17.68, 6.098, 9.92) [0.8705, 0.3002, 0.4884]\n", + " PeriodicSite: Li (0.9865, 17.44, 4.553) [0.04856, 0.8587, 0.2242]\n", + " PeriodicSite: Li (0.5175, 18.23, 11.87) [0.02547, 0.8976, 0.5845]\n", + " PeriodicSite: Li (10.04, 6.778, 3.253) [0.4943, 0.3337, 0.1602]\n", + " PeriodicSite: Li (14.64, 8.809, 13.31) [0.7208, 0.4337, 0.6552]\n", + " PeriodicSite: Li (13.55, 17.08, 0.4497) [0.6671, 0.8408, 0.02214]\n", + " PeriodicSite: Li (8.079, 16.23, 15.6) [0.3978, 0.7989, 0.7679]\n", + " PeriodicSite: Li (5.244, 7.961, 2.995) [0.2581, 0.3919, 0.1474]\n", + " PeriodicSite: Li (0.9218, 8.616, 11.42) [0.04538, 0.4242, 0.5621]\n", + " PeriodicSite: Li (0.8274, 17.84, 1.253) [0.04073, 0.8785, 0.06171]\n", + " PeriodicSite: Li (2.621, 19.85, 13.69) [0.1291, 0.977, 0.6739]\n", + " PeriodicSite: Li (15.39, 9.096, 2.947) [0.7575, 0.4478, 0.1451]\n", + " PeriodicSite: Li (12.46, 7.34, 10.27) [0.6137, 0.3613, 0.5056]\n", + " PeriodicSite: Li (12.16, 19.98, 1.431) [0.5988, 0.9835, 0.07043]\n", + " PeriodicSite: Li (13.58, 17.26, 10.15) [0.6686, 0.8496, 0.4998]\n", + " PeriodicSite: Li (5.189, 4.646, 2.197) [0.2555, 0.2287, 0.1082]\n", + " PeriodicSite: Li (5.184, 8.207, 14.18) [0.2552, 0.4041, 0.6979]\n", + " PeriodicSite: Li (4.008, 18.26, 4.71) [0.1973, 0.899, 0.2319]\n", + " PeriodicSite: Li (2.221, 15.41, 12.91) [0.1093, 0.7587, 0.6358]\n", + " PeriodicSite: Li (12.88, 11.76, 4.892) [0.6342, 0.5792, 0.2409]\n", + " PeriodicSite: Li (14.19, 6.052, 12.21) [0.6988, 0.2979, 0.601]\n", + " PeriodicSite: Li (15.47, 18.69, 2.962) [0.7617, 0.9203, 0.1459]\n", + " PeriodicSite: Li (15.41, 2.145, 15.17) [0.7589, 0.1056, 0.7471]\n", + " PeriodicSite: Li (9.377, 4.214, 2.722) [0.4617, 0.2074, 0.134]\n", + " PeriodicSite: Li (9.344, 3.215, 13.29) [0.46, 0.1583, 0.6543]\n", + " PeriodicSite: Li (6.931, 10.37, 2.858) [0.3412, 0.5105, 0.1407]\n", + " PeriodicSite: Li (3.491, 10.44, 13.52) [0.1718, 0.5141, 0.6654]\n", + " PeriodicSite: Li (17.07, 1.557, 4.42) [0.8403, 0.07663, 0.2176]\n", + " PeriodicSite: Li (13.14, 4.241, 9.308) [0.647, 0.2088, 0.4583]\n", + " PeriodicSite: Li (17.83, 10.95, 1.218) [0.8776, 0.539, 0.05995]\n", + " PeriodicSite: Li (17.17, 10.42, 12.93) [0.8451, 0.5131, 0.6366]\n", + " PeriodicSite: Li (7.048, 18.9, 5.025) [0.347, 0.9303, 0.2474]\n", + " PeriodicSite: Li (6.628, 1.674, 14.86) [0.3263, 0.08241, 0.7317]\n", + " PeriodicSite: Li (7.209, 12.79, 0.08148) [0.3549, 0.6296, 0.004014]\n", + " PeriodicSite: Li (9.86, 13.24, 13.11) [0.4854, 0.6519, 0.6455]\n", + " PeriodicSite: Li (14.91, 1.542, 3.21) [0.7341, 0.07592, 0.158]\n", + " PeriodicSite: Li (20.0, 1.512, 11.59) [0.9847, 0.07443, 0.5707]\n", + " PeriodicSite: Li (18.4, 13.27, 5.237) [0.9059, 0.6531, 0.2578]\n", + " PeriodicSite: Li (16.78, 14.88, 12.65) [0.8259, 0.7324, 0.6227]\n", + " PeriodicSite: Li (8.372, 5.162, 6.404) [0.4122, 0.2542, 0.3153]\n", + " PeriodicSite: Li (8.083, 0.07688, 12.31) [0.3979, 0.003782, 0.6059]\n", + " PeriodicSite: Li (9.03, 13.27, 4.281) [0.4445, 0.6531, 0.2108]\n", + " PeriodicSite: Li (7.238, 13.09, 10.74) [0.3563, 0.6446, 0.5289]\n", + " PeriodicSite: Li (19.9, 2.566, 2.821) [0.9799, 0.1263, 0.1389]\n", + " PeriodicSite: Li (18.86, 3.262, 14.81) [0.9284, 0.1606, 0.7291]\n", + " PeriodicSite: Li (16.82, 15.26, 1.898) [0.8283, 0.7513, 0.09345]\n", + " PeriodicSite: Li (15.12, 12.33, 13.09) [0.7444, 0.6068, 0.6444]\n", + " PeriodicSite: Li (2.337, 20.17, 2.602) [0.115, 0.9932, 0.1281]\n", + " PeriodicSite: Li (5.458, 0.6705, 12.98) [0.2687, 0.03301, 0.6392]\n", + " PeriodicSite: Li (5.105, 13.04, 2.155) [0.2513, 0.6419, 0.1061]\n", + " PeriodicSite: Li (8.263, 7.599, 15.74) [0.4068, 0.3741, 0.7749]\n", + " PeriodicSite: Li (17.99, 4.692, 3.272) [0.8858, 0.231, 0.1611]\n", + " PeriodicSite: Li (17.44, 20.31, 13.51) [0.8584, 0.9997, 0.665]\n", + " PeriodicSite: Li (16.58, 13.77, 19.53) [0.8164, 0.6779, 0.9614]\n", + " PeriodicSite: Li (19.77, 11.37, 12.1) [0.9733, 0.5598, 0.5959]\n", + " PeriodicSite: Li (7.12, 3.034, 0.2487) [0.3505, 0.1494, 0.01225]\n", + " PeriodicSite: Li (5.665, 2.91, 10.79) [0.2789, 0.1432, 0.5313]\n", + " PeriodicSite: Li (9.847, 12.11, 1.121) [0.4848, 0.596, 0.0552]\n", + " PeriodicSite: Li (8.265, 10.07, 11.79) [0.4069, 0.4957, 0.5802]\n", + " PeriodicSite: Li (15.48, 3.559, 1.556) [0.7619, 0.1752, 0.07661]\n", + " PeriodicSite: Li (15.82, 3.132, 12.03) [0.779, 0.1542, 0.5921]\n", + " PeriodicSite: Li (0.8828, 12.4, 19.67) [0.04346, 0.6106, 0.9684]\n", + " PeriodicSite: Li (19.26, 14.3, 13.03) [0.9481, 0.7042, 0.6414]\n", + " PeriodicSite: Li (9.301, 0.8379, 2.29) [0.4579, 0.04125, 0.1127]\n", + " PeriodicSite: Li (8.899, 2.276, 10.62) [0.4381, 0.1121, 0.5229]\n", + " PeriodicSite: Li (6.331, 12.38, 4.406) [0.3117, 0.6093, 0.2169]\n", + " PeriodicSite: Li (5.344, 13.64, 12.58) [0.2631, 0.6713, 0.6191]\n", + " PeriodicSite: Li (17.69, 2.953, 20.25) [0.8709, 0.1454, 0.9967]\n", + " PeriodicSite: Li (0.3072, 7.35, 13.91) [0.01513, 0.3619, 0.6849]\n", + " PeriodicSite: Li (3.651, 15.12, 8.362) [0.1797, 0.7443, 0.4117]\n", + " PeriodicSite: Li (16.88, 13.01, 10.2) [0.8312, 0.6403, 0.5021]\n", + " PeriodicSite: Li (13.36, 8.229, 4.983) [0.6577, 0.4051, 0.2453]\n", + " PeriodicSite: Li (5.439, 8.578, 17.21) [0.2678, 0.4223, 0.8473]\n", + " PeriodicSite: Li (6.835, 16.92, 10.15) [0.3365, 0.8332, 0.4997]\n", + " PeriodicSite: Li (6.451, 15.53, 18.84) [0.3176, 0.7643, 0.9273]\n", + " PeriodicSite: Li (15.57, 9.323, 7.223) [0.7664, 0.459, 0.3556]\n", + " PeriodicSite: Li (3.133, 4.501, 17.73) [0.1542, 0.2216, 0.8729]\n", + " PeriodicSite: Li (17.85, 18.42, 5.577) [0.8786, 0.9069, 0.2746]\n", + " PeriodicSite: Li (19.49, 17.79, 19.07) [0.9595, 0.876, 0.9389]\n", + " PeriodicSite: Li (7.103, 8.947, 5.867) [0.3497, 0.4405, 0.2889]\n", + " PeriodicSite: Li (8.494, 5.483, 17.34) [0.4182, 0.27, 0.8536]\n", + " PeriodicSite: Li (8.083, 20.07, 8.126) [0.398, 0.9881, 0.4001]\n", + " PeriodicSite: Li (7.042, 19.79, 16.51) [0.3467, 0.9744, 0.8128]\n", + " PeriodicSite: Li (17.79, 9.145, 9.833) [0.8759, 0.4502, 0.4841]\n", + " PeriodicSite: Li (17.81, 6.079, 15.87) [0.877, 0.2992, 0.7814]\n", + " PeriodicSite: Li (18.09, 19.62, 8.614) [0.8907, 0.9661, 0.4241]\n", + " PeriodicSite: Li (18.51, 14.97, 16.73) [0.9115, 0.7369, 0.8236]\n", + " PeriodicSite: Li (6.09, 5.764, 8.356) [0.2998, 0.2838, 0.4114]\n", + " PeriodicSite: Li (5.968, 5.642, 18.05) [0.2938, 0.2778, 0.8888]\n", + " PeriodicSite: Li (10.08, 18.23, 9.313) [0.496, 0.8975, 0.4585]\n", + " PeriodicSite: Li (11.95, 14.65, 15.96) [0.5885, 0.7214, 0.7859]\n", + " PeriodicSite: Li (19.87, 8.005, 7.775) [0.9781, 0.3941, 0.3828]\n", + " PeriodicSite: Li (20.16, 6.241, 17.51) [0.9925, 0.3073, 0.8622]\n", + " PeriodicSite: Li (16.75, 17.29, 10.09) [0.8248, 0.851, 0.4966]\n", + " PeriodicSite: Li (16.12, 17.09, 19.59) [0.7934, 0.8416, 0.9647]\n", + " PeriodicSite: Li (8.836, 8.138, 8.851) [0.435, 0.4006, 0.4358]\n", + " PeriodicSite: Li (6.862, 6.948, 0.1002) [0.3378, 0.342, 0.004936]\n", + " PeriodicSite: Li (5.295, 18.61, 7.157) [0.2607, 0.916, 0.3523]\n", + " PeriodicSite: Li (7.726, 15.08, 1.86) [0.3803, 0.7424, 0.09158]\n", + " PeriodicSite: Li (15.18, 6.85, 8.831) [0.7474, 0.3372, 0.4347]\n", + " PeriodicSite: Li (19.38, 9.35, 18.15) [0.9542, 0.4603, 0.8934]\n", + " PeriodicSite: Li (15.26, 18.23, 6.766) [0.7514, 0.8973, 0.3331]\n", + " PeriodicSite: Li (15.74, 18.08, 16.24) [0.7751, 0.8901, 0.7993]\n", + " PeriodicSite: Li (6.521, 5.432, 11.83) [0.321, 0.2674, 0.5823]\n", + " PeriodicSite: Li (7.919, 10.06, 17.95) [0.3899, 0.4954, 0.8836]\n", + " PeriodicSite: Li (9.362, 17.34, 5.916) [0.4609, 0.8539, 0.2913]\n", + " PeriodicSite: Li (10.59, 17.16, 2.521) [0.5213, 0.845, 0.1241]\n", + " PeriodicSite: Li (17.54, 9.167, 5.421) [0.8633, 0.4513, 0.2669]\n", + " PeriodicSite: Li (14.99, 3.078, 18.41) [0.738, 0.1515, 0.9065]\n", + " PeriodicSite: Li (19.38, 16.27, 7.757) [0.9541, 0.8007, 0.3819]\n", + " PeriodicSite: Li (18.48, 0.1174, 1.676) [0.9098, 0.00577, 0.08249]\n", + " PeriodicSite: Li (3.282, 10.23, 3.15) [0.1616, 0.5034, 0.1551]\n", + " PeriodicSite: Li (9.865, 8.262, 18.71) [0.4857, 0.4067, 0.921]\n", + " PeriodicSite: Li (6.927, 15.26, 8.342) [0.341, 0.751, 0.4107]\n", + " PeriodicSite: Li (7.904, 18.85, 19.74) [0.3891, 0.9278, 0.9718]\n", + " PeriodicSite: Li (18.42, 5.798, 6.643) [0.907, 0.2854, 0.327]\n", + " PeriodicSite: Li (17.21, 12.24, 14.94) [0.8474, 0.6026, 0.7353]\n", + " PeriodicSite: Li (19.45, 14.89, 2.984) [0.9574, 0.7332, 0.1469]\n", + " PeriodicSite: Li (13.06, 0.1178, 13.36) [0.6432, 0.005792, 0.6578]\n", + " PeriodicSite: Cl (7.67, 12.42, 13.16) [0.3776, 0.6113, 0.6476]\n", + " PeriodicSite: Cl (2.596, 12.84, 17.9) [0.1278, 0.6323, 0.8814]\n", + " PeriodicSite: Cl (12.48, 17.75, 12.35) [0.6146, 0.8738, 0.608]\n", + " PeriodicSite: Cl (18.12, 7.788, 17.53) [0.892, 0.3834, 0.8632]\n", + " PeriodicSite: Cl (7.524, 2.919, 2.57) [0.3704, 0.1437, 0.1265]\n", + " PeriodicSite: Cl (7.695, 7.241, 7.106) [0.3788, 0.3565, 0.3498]\n", + " PeriodicSite: Cl (12.6, 12.53, 7.175) [0.6205, 0.6171, 0.3532]\n", + " PeriodicSite: Cl (2.865, 7.729, 2.355) [0.1411, 0.3805, 0.1159]\n", + " PeriodicSite: Cl (2.388, 7.782, 12.78) [0.1176, 0.3831, 0.6294]\n", + " PeriodicSite: Cl (12.73, 13.0, 17.83) [0.6268, 0.6401, 0.8779]\n", + " PeriodicSite: Cl (17.55, 17.51, 17.79) [0.8642, 0.8618, 0.8759]\n", + " PeriodicSite: Cl (2.48, 2.418, 7.296) [0.1221, 0.119, 0.3592]\n", + " PeriodicSite: Cl (12.69, 2.3, 17.7) [0.6249, 0.1132, 0.8715]\n", + " PeriodicSite: Cl (12.83, 7.827, 2.524) [0.6318, 0.3853, 0.1243]\n", + " PeriodicSite: Cl (17.95, 2.172, 13.02) [0.8839, 0.1069, 0.641]\n", + " PeriodicSite: Cl (7.708, 17.61, 17.79) [0.3795, 0.8671, 0.8757]\n", + " PeriodicSite: Cl (0.04305, 19.74, 0.1483) [0.00211, 0.9716, 0.0073]\n", + " PeriodicSite: Cl (20.31, 19.69, 10.22) [0.9999, 0.9695, 0.5031]\n", + " PeriodicSite: Cl (20.04, 10.3, 0.3067) [0.9868, 0.5071, 0.0151]\n", + " PeriodicSite: Cl (19.79, 10.38, 10.05) [0.9742, 0.511, 0.4947]\n", + " PeriodicSite: Cl (9.998, 0.5125, 0.03997) [0.4922, 0.02522, 0.00197]\n", + " PeriodicSite: Cl (9.94, 0.00226, 10.13) [0.4894, 0.0001075, 0.4986]\n", + " PeriodicSite: Cl (10.6, 10.25, 20.13) [0.5216, 0.5047, 0.9912]\n", + " PeriodicSite: Cl (9.882, 9.979, 10.12) [0.4865, 0.4913, 0.4981]\n", + " PeriodicSite: Cl (20.07, 5.051, 4.995) [0.9879, 0.2487, 0.2459]\n", + " PeriodicSite: Cl (19.89, 5.121, 15.4) [0.9791, 0.2521, 0.7583]\n", + " PeriodicSite: Cl (0.2292, 15.37, 5.363) [0.01128, 0.7567, 0.264]\n", + " PeriodicSite: Cl (0.01171, 15.25, 15.18) [0.0005736, 0.7506, 0.7471]\n", + " PeriodicSite: Cl (10.29, 4.887, 4.891) [0.5068, 0.2406, 0.2408]\n", + " PeriodicSite: Cl (10.14, 5.76, 14.72) [0.4992, 0.2836, 0.7247]\n", + " PeriodicSite: Cl (10.58, 15.41, 4.771) [0.5209, 0.7584, 0.2349]\n", + " PeriodicSite: Cl (10.14, 15.61, 14.91) [0.4992, 0.7686, 0.7339]\n", + " PeriodicSite: S (5.161, 0.05209, 5.389) [0.2541, 0.002562, 0.2653]\n", + " PeriodicSite: S (4.925, 0.1863, 15.15) [0.2425, 0.009169, 0.7459]\n", + " PeriodicSite: S (5.09, 10.02, 4.387) [0.2506, 0.4932, 0.216]\n", + " PeriodicSite: S (5.054, 10.11, 15.4) [0.2488, 0.4978, 0.7582]\n", + " PeriodicSite: S (15.29, 20.25, 4.865) [0.7525, 0.997, 0.2395]\n", + " PeriodicSite: S (15.3, 20.07, 14.91) [0.7534, 0.9881, 0.7341]\n", + " PeriodicSite: S (15.13, 10.32, 5.018) [0.7451, 0.508, 0.247]\n", + " PeriodicSite: S (15.45, 10.46, 15.02) [0.7605, 0.5148, 0.7396]\n", + " PeriodicSite: S (5.309, 4.877, 20.13) [0.2614, 0.2401, 0.9911]\n", + " PeriodicSite: S (4.866, 5.142, 10.35) [0.2396, 0.2531, 0.5097]\n", + " PeriodicSite: S (5.032, 14.85, 0.4885) [0.2477, 0.7313, 0.02405]\n", + " PeriodicSite: S (5.317, 14.83, 10.01) [0.2618, 0.7299, 0.493]\n", + " PeriodicSite: S (14.97, 5.017, 20.11) [0.7371, 0.247, 0.99]\n", + " PeriodicSite: S (15.29, 5.091, 10.35) [0.7529, 0.2506, 0.5095]\n", + " PeriodicSite: S (15.16, 15.27, 0.08316) [0.7465, 0.7517, 0.004099]\n", + " PeriodicSite: S (15.14, 15.22, 10.37) [0.7453, 0.7495, 0.5105]\n", + " PeriodicSite: S (8.83, 3.699, 8.794) [0.4347, 0.1821, 0.4329]\n", + " PeriodicSite: S (8.978, 3.622, 19.19) [0.442, 0.1783, 0.9445]\n", + " PeriodicSite: S (8.92, 13.81, 8.938) [0.4391, 0.6799, 0.44]\n", + " PeriodicSite: S (8.92, 13.92, 18.89) [0.4391, 0.6852, 0.93]\n", + " PeriodicSite: S (18.95, 4.158, 8.855) [0.9329, 0.2047, 0.4359]\n", + " PeriodicSite: S (19.06, 4.352, 18.79) [0.9382, 0.2142, 0.9248]\n", + " PeriodicSite: S (19.08, 14.18, 9.006) [0.9394, 0.6981, 0.4434]\n", + " PeriodicSite: S (19.04, 14.2, 19.06) [0.9375, 0.6993, 0.9385]\n", + " PeriodicSite: S (3.866, 1.321, 1.262) [0.1903, 0.06501, 0.06215]\n", + " PeriodicSite: S (3.573, 1.151, 11.08) [0.1759, 0.05667, 0.5453]\n", + " PeriodicSite: S (3.783, 11.31, 0.8585) [0.1863, 0.5568, 0.04226]\n", + " PeriodicSite: S (3.855, 11.71, 11.51) [0.1898, 0.5764, 0.5664]\n", + " PeriodicSite: S (13.97, 1.259, 1.037) [0.6879, 0.06197, 0.05108]\n", + " PeriodicSite: S (14.03, 1.371, 11.15) [0.6908, 0.06751, 0.5491]\n", + " PeriodicSite: S (14.27, 11.31, 1.407) [0.7023, 0.557, 0.06926]\n", + " PeriodicSite: S (13.78, 11.67, 11.13) [0.6786, 0.5748, 0.5478]\n", + " PeriodicSite: S (6.062, 1.051, 8.983) [0.2985, 0.05176, 0.4422]\n", + " PeriodicSite: S (6.202, 0.8149, 19.09) [0.3053, 0.04012, 0.9399]\n", + " PeriodicSite: S (6.308, 11.67, 9.251) [0.3105, 0.5746, 0.4555]\n", + " PeriodicSite: S (6.14, 11.32, 18.74) [0.3023, 0.5572, 0.9226]\n", + " PeriodicSite: S (16.82, 1.185, 8.935) [0.828, 0.05831, 0.4399]\n", + " PeriodicSite: S (16.52, 1.26, 18.98) [0.8135, 0.062, 0.9345]\n", + " PeriodicSite: S (16.21, 11.18, 8.826) [0.7979, 0.5506, 0.4345]\n", + " PeriodicSite: S (16.75, 11.47, 19.37) [0.8245, 0.5648, 0.9536]\n", + " PeriodicSite: S (0.8082, 3.513, 1.082) [0.03979, 0.1729, 0.05328]\n", + " PeriodicSite: S (1.067, 3.621, 10.99) [0.05253, 0.1783, 0.5411]\n", + " PeriodicSite: S (0.8297, 13.96, 1.28) [0.04084, 0.6871, 0.063]\n", + " PeriodicSite: S (0.7029, 13.67, 11.58) [0.0346, 0.6728, 0.57]\n", + " PeriodicSite: S (11.41, 4.04, 1.346) [0.5616, 0.1989, 0.06629]\n", + " PeriodicSite: S (10.99, 4.272, 11.35) [0.5409, 0.2103, 0.5588]\n", + " PeriodicSite: S (11.03, 14.15, 1.322) [0.543, 0.6968, 0.0651]\n", + " PeriodicSite: S (11.41, 13.74, 11.48) [0.5616, 0.6766, 0.5653]\n", + " PeriodicSite: S (2.657, 2.449, 18.11) [0.1308, 0.1206, 0.8914]\n", + " PeriodicSite: S (2.431, 12.8, 7.827) [0.1197, 0.6301, 0.3853]\n", + " PeriodicSite: S (12.96, 2.595, 7.506) [0.6383, 0.1277, 0.3696]\n", + " PeriodicSite: S (8.581, 8.805, 3.786) [0.4225, 0.4335, 0.1864]\n", + " PeriodicSite: S (9.14, 9.172, 13.96) [0.45, 0.4516, 0.6875]\n", + " PeriodicSite: S (9.06, 18.97, 3.861) [0.446, 0.9338, 0.1901]\n", + " PeriodicSite: S (8.914, 18.84, 14.09) [0.4389, 0.9276, 0.6939]\n", + " PeriodicSite: S (19.49, 9.068, 3.87) [0.9597, 0.4464, 0.1906]\n", + " PeriodicSite: S (19.09, 9.323, 13.68) [0.9396, 0.459, 0.6733]\n", + " PeriodicSite: S (19.21, 19.26, 3.866) [0.9459, 0.9484, 0.1904]\n", + " PeriodicSite: S (19.28, 18.88, 14.69) [0.9492, 0.9296, 0.7234]\n", + " PeriodicSite: S (3.62, 6.347, 5.932) [0.1782, 0.3125, 0.292]\n", + " PeriodicSite: S (4.083, 6.441, 16.58) [0.201, 0.3171, 0.8162]\n", + " PeriodicSite: S (4.12, 16.24, 6.303) [0.2028, 0.7995, 0.3103]\n", + " PeriodicSite: S (4.206, 16.65, 16.47) [0.2071, 0.8196, 0.8107]\n", + " PeriodicSite: S (14.14, 6.362, 6.439) [0.6962, 0.3132, 0.317]\n", + " PeriodicSite: S (13.56, 6.257, 16.42) [0.6678, 0.3081, 0.8082]\n", + " PeriodicSite: S (14.05, 16.12, 6.525) [0.6919, 0.7936, 0.3212]\n", + " PeriodicSite: S (14.01, 16.54, 16.65) [0.6896, 0.8141, 0.8197]\n", + " PeriodicSite: S (6.402, 5.992, 3.739) [0.3152, 0.295, 0.1841]\n", + " PeriodicSite: S (6.411, 6.206, 14.11) [0.3156, 0.3055, 0.6944]\n", + " PeriodicSite: S (6.272, 16.5, 3.961) [0.3088, 0.8125, 0.195]\n", + " PeriodicSite: S (6.389, 15.75, 13.82) [0.3145, 0.7755, 0.6804]\n", + " PeriodicSite: S (16.43, 6.474, 3.881) [0.8087, 0.3187, 0.1911]\n", + " PeriodicSite: S (16.32, 6.828, 14.5) [0.8033, 0.3362, 0.7139]\n", + " PeriodicSite: S (16.32, 16.48, 3.827) [0.8032, 0.8113, 0.1884]\n", + " PeriodicSite: S (16.41, 16.53, 14.28) [0.8078, 0.8139, 0.7031]\n", + " PeriodicSite: S (1.285, 9.034, 6.345) [0.06327, 0.4448, 0.3124]\n", + " PeriodicSite: S (0.7697, 8.812, 16.25) [0.0379, 0.4338, 0.8001]\n", + " PeriodicSite: S (0.8396, 18.97, 6.411) [0.04133, 0.9338, 0.3156]\n", + " PeriodicSite: S (1.336, 19.29, 16.77) [0.06576, 0.9495, 0.8256]\n", + " PeriodicSite: S (11.24, 9.308, 6.278) [0.5531, 0.4583, 0.3091]\n", + " PeriodicSite: S (11.17, 8.97, 16.59) [0.5501, 0.4416, 0.8168]\n", + " PeriodicSite: S (11.2, 19.0, 6.41) [0.5516, 0.9354, 0.3156]\n", + " PeriodicSite: S (11.32, 19.18, 16.55) [0.5575, 0.944, 0.8146]\n", + " PeriodicSite: S (2.562, 17.7, 2.824) [0.1261, 0.8714, 0.139]\n", + " PeriodicSite: S (2.355, 17.79, 12.92) [0.1159, 0.876, 0.6362]\n", + " PeriodicSite: S (12.53, 7.774, 12.54) [0.6168, 0.3827, 0.6174]\n", + " PeriodicSite: S (12.88, 17.94, 2.536) [0.6341, 0.8831, 0.1249]\n", + " PeriodicSite: S (4.094, 3.635, 4.067) [0.2015, 0.179, 0.2002]\n", + " PeriodicSite: S (3.956, 3.832, 14.24) [0.1948, 0.1887, 0.7009]\n", + " PeriodicSite: S (4.043, 13.79, 4.115) [0.199, 0.6787, 0.2026]\n", + " PeriodicSite: S (3.837, 14.05, 14.42) [0.1889, 0.6915, 0.7097]\n", + " PeriodicSite: S (14.39, 3.961, 3.656) [0.7082, 0.195, 0.18]\n", + " PeriodicSite: S (14.52, 4.012, 14.11) [0.7148, 0.1975, 0.6949]\n", + " PeriodicSite: S (14.2, 13.93, 4.05) [0.6988, 0.6859, 0.1994]\n", + " PeriodicSite: S (13.74, 14.07, 14.27) [0.6765, 0.6929, 0.7024]\n", + " PeriodicSite: S (8.724, 1.163, 5.951) [0.4295, 0.05726, 0.293]\n", + " PeriodicSite: S (8.601, 1.2, 16.19) [0.4235, 0.05906, 0.7972]\n", + " PeriodicSite: S (8.462, 11.43, 5.855) [0.4166, 0.5625, 0.2883]\n", + " PeriodicSite: S (8.841, 11.49, 16.47) [0.4353, 0.5658, 0.811]\n", + " PeriodicSite: S (18.8, 1.019, 6.41) [0.9257, 0.05015, 0.3156]\n", + " PeriodicSite: S (19.11, 1.382, 16.6) [0.9406, 0.06803, 0.8172]\n", + " PeriodicSite: S (19.43, 11.53, 6.482) [0.9568, 0.5675, 0.3191]\n", + " PeriodicSite: S (18.99, 11.47, 16.5) [0.9349, 0.5645, 0.8123]\n", + " PeriodicSite: S (1.16, 1.321, 4.329) [0.05711, 0.06504, 0.2131]\n", + " PeriodicSite: S (1.143, 1.26, 14.18) [0.05626, 0.06202, 0.6981]\n", + " PeriodicSite: S (1.487, 11.51, 4.158) [0.07322, 0.5665, 0.2047]\n", + " PeriodicSite: S (1.034, 11.51, 14.23) [0.05089, 0.5665, 0.7005]\n", + " PeriodicSite: S (11.25, 1.105, 3.986) [0.554, 0.0544, 0.1962]\n", + " PeriodicSite: S (11.02, 1.229, 14.19) [0.5424, 0.06051, 0.6985]\n", + " PeriodicSite: S (10.83, 11.36, 3.451) [0.5332, 0.5594, 0.1699]\n", + " PeriodicSite: S (11.54, 11.52, 14.4) [0.5681, 0.5674, 0.7088]\n", + " PeriodicSite: S (6.226, 4.247, 6.515) [0.3065, 0.2091, 0.3207]\n", + " PeriodicSite: S (6.384, 3.962, 16.54) [0.3143, 0.1951, 0.8144]\n", + " PeriodicSite: S (6.577, 13.92, 6.318) [0.3238, 0.6851, 0.311]\n", + " PeriodicSite: S (6.549, 14.21, 16.71) [0.3224, 0.6996, 0.8228]\n", + " PeriodicSite: S (16.58, 4.005, 6.025) [0.8165, 0.1972, 0.2966]\n", + " PeriodicSite: S (16.28, 4.512, 16.95) [0.8013, 0.2221, 0.8346]\n", + " PeriodicSite: S (16.59, 14.17, 6.393) [0.8167, 0.6976, 0.3147]\n", + " PeriodicSite: S (16.26, 13.92, 16.5) [0.8006, 0.6852, 0.8121]\n", + " PeriodicSite: S (7.303, 2.244, 12.59) [0.3595, 0.1105, 0.6196]\n", + " PeriodicSite: S (7.556, 12.68, 2.366) [0.372, 0.6241, 0.1165]\n", + " PeriodicSite: S (17.61, 2.518, 2.476) [0.8669, 0.124, 0.1219]\n", + " PeriodicSite: S (18.01, 13.15, 2.749) [0.8868, 0.6472, 0.1353]\n", + " PeriodicSite: S (17.54, 12.81, 12.72) [0.8636, 0.6306, 0.6263]\n", + " PeriodicSite: S (3.776, 9.26, 9.1) [0.1859, 0.4559, 0.448]\n", + " PeriodicSite: S (3.773, 8.821, 19.01) [0.1858, 0.4343, 0.9358]\n", + " PeriodicSite: S (3.718, 18.77, 9.044) [0.183, 0.9238, 0.4452]\n", + " PeriodicSite: S (3.542, 19.03, 19.51) [0.1744, 0.9367, 0.9605]\n", + " PeriodicSite: S (13.77, 8.986, 8.886) [0.678, 0.4424, 0.4375]\n", + " PeriodicSite: S (14.04, 9.397, 19.01) [0.6913, 0.4626, 0.9358]\n", + " PeriodicSite: S (14.28, 19.33, 8.817) [0.7029, 0.9516, 0.4341]\n", + " PeriodicSite: S (13.97, 19.16, 18.86) [0.6878, 0.9434, 0.9286]\n", + " PeriodicSite: S (9.146, 6.457, 0.9696) [0.4503, 0.3179, 0.04774]\n", + " PeriodicSite: S (8.523, 6.333, 10.68) [0.4196, 0.3118, 0.5258]\n", + " PeriodicSite: S (8.917, 16.66, 0.6553) [0.439, 0.8204, 0.03226]\n", + " PeriodicSite: S (8.971, 16.13, 11.34) [0.4417, 0.7939, 0.5583]\n", + " PeriodicSite: S (19.36, 6.447, 1.23) [0.9532, 0.3174, 0.06058]\n", + " PeriodicSite: S (19.37, 6.001, 11.52) [0.9534, 0.2954, 0.5671]\n", + " PeriodicSite: S (18.75, 16.48, 1.012) [0.9231, 0.8112, 0.04982]\n", + " PeriodicSite: S (19.01, 16.25, 11.75) [0.936, 0.7999, 0.5784]\n", + " PeriodicSite: S (1.428, 6.325, 8.974) [0.07031, 0.3114, 0.4418]\n", + " PeriodicSite: S (1.546, 6.275, 19.22) [0.07614, 0.3089, 0.9463]\n", + " PeriodicSite: S (1.214, 16.35, 9.621) [0.05975, 0.805, 0.4736]\n", + " PeriodicSite: S (1.237, 16.45, 19.58) [0.0609, 0.8099, 0.9637]\n", + " PeriodicSite: S (11.14, 6.337, 8.536) [0.5485, 0.312, 0.4202]\n", + " PeriodicSite: S (11.4, 5.81, 18.74) [0.561, 0.286, 0.9226]\n", + " PeriodicSite: S (11.43, 16.12, 9.039) [0.5625, 0.7938, 0.445]\n", + " PeriodicSite: S (11.47, 16.26, 19.17) [0.5648, 0.8006, 0.944]\n", + " PeriodicSite: S (6.249, 8.957, 0.9913) [0.3077, 0.4409, 0.0488]\n", + " PeriodicSite: S (5.937, 9.226, 11.55) [0.2923, 0.4542, 0.5685]\n", + " PeriodicSite: S (6.077, 19.23, 1.549) [0.2992, 0.947, 0.07626]\n", + " PeriodicSite: S (5.952, 18.98, 11.57) [0.293, 0.9342, 0.5697]\n", + " PeriodicSite: S (16.66, 8.877, 1.02) [0.8201, 0.437, 0.0502]\n", + " PeriodicSite: S (15.94, 9.131, 11.39) [0.7849, 0.4495, 0.5608]\n", + " PeriodicSite: S (16.42, 19.14, 0.8718) [0.8084, 0.9424, 0.04293]\n", + " PeriodicSite: S (16.34, 19.3, 11.39) [0.8046, 0.9502, 0.5607]\n", + " PeriodicSite: S (7.577, 7.74, 18.03) [0.373, 0.381, 0.8876]\n", + " PeriodicSite: S (7.794, 17.64, 7.875) [0.3837, 0.8685, 0.3877]\n", + " PeriodicSite: S (17.62, 7.701, 7.772) [0.8675, 0.3791, 0.3826]\n", + " PeriodicSite: S (17.37, 17.59, 7.796) [0.8553, 0.8662, 0.3838]\n", + " PeriodicSite: P (4.906, 20.21, 0.1325) [0.2415, 0.9952, 0.006527]\n", + " PeriodicSite: P (4.824, 20.17, 10.15) [0.2375, 0.993, 0.4999]\n", + " PeriodicSite: P (4.997, 10.02, 20.12) [0.246, 0.4935, 0.9908]\n", + " PeriodicSite: P (4.89, 10.52, 10.27) [0.2407, 0.518, 0.5057]\n", + " PeriodicSite: P (15.2, 0.03683, 20.04) [0.7485, 0.001808, 0.9866]\n", + " PeriodicSite: P (15.37, 0.2008, 10.05) [0.7565, 0.009877, 0.4949]\n", + " PeriodicSite: P (15.25, 10.25, 0.03481) [0.7507, 0.5048, 0.001719]\n", + " PeriodicSite: P (14.85, 10.24, 10.1) [0.731, 0.5042, 0.4972]\n", + " PeriodicSite: P (5.028, 5.131, 5.069) [0.2475, 0.2526, 0.2495]\n", + " PeriodicSite: P (5.11, 5.15, 15.33) [0.2516, 0.2535, 0.7549]\n", + " PeriodicSite: P (5.358, 15.07, 5.106) [0.2638, 0.742, 0.2514]\n", + " PeriodicSite: P (5.229, 15.18, 15.43) [0.2574, 0.7476, 0.7598]\n", + " PeriodicSite: P (15.37, 5.357, 5.104) [0.7566, 0.2637, 0.2513]\n", + " PeriodicSite: P (15.1, 5.412, 15.47) [0.7435, 0.2664, 0.7615]\n", + " PeriodicSite: P (15.31, 15.26, 5.109) [0.7538, 0.7514, 0.2515]\n", + " PeriodicSite: P (15.07, 15.37, 15.38) [0.7417, 0.7565, 0.7573]\n", + " PeriodicSite: P (20.17, 0.0355, 5.331) [0.9931, 0.001739, 0.2625]\n", + " PeriodicSite: P (0.0113, 20.31, 15.68) [0.0005515, 0.9998, 0.7719]\n", + " PeriodicSite: P (0.1334, 10.36, 5.141) [0.006564, 0.5099, 0.2531]\n", + " PeriodicSite: P (20.13, 10.2, 15.21) [0.9912, 0.502, 0.7488]\n", + " PeriodicSite: P (10.09, 20.17, 5.206) [0.4968, 0.993, 0.2563]\n", + " PeriodicSite: P (9.947, 20.18, 15.38) [0.4897, 0.9935, 0.7569]\n", + " PeriodicSite: P (9.829, 10.09, 4.907) [0.4839, 0.4967, 0.2416]\n", + " PeriodicSite: P (10.16, 10.37, 15.32) [0.5001, 0.5106, 0.7541]\n", + " PeriodicSite: P (0.06935, 5.137, 20.25) [0.003417, 0.2529, 0.997]\n", + " PeriodicSite: P (0.04155, 5.153, 10.09) [0.002046, 0.2537, 0.4966]\n", + " PeriodicSite: P (20.06, 15.19, 0.0816) [0.9873, 0.7478, 0.004024]\n", + " PeriodicSite: P (20.09, 15.15, 10.47) [0.9889, 0.7458, 0.5155]\n", + " PeriodicSite: P (10.24, 4.953, 20.22) [0.5043, 0.2439, 0.9955]\n", + " PeriodicSite: P (10.02, 5.084, 9.842) [0.4934, 0.2503, 0.4846]\n", + " PeriodicSite: P (10.12, 15.18, 20.17) [0.4983, 0.7475, 0.9929]\n", + " PeriodicSite: P (10.19, 14.9, 10.18) [0.5015, 0.7336, 0.5014],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.24, 4.905, 4.743) [0.1103, 0.2415, 0.2335]\n", + " PeriodicSite: Li (0.2926, 2.699, 18.16) [0.01441, 0.1329, 0.8941]\n", + " PeriodicSite: Li (3.165, 13.17, 10.39) [0.1558, 0.6484, 0.5114]\n", + " PeriodicSite: Li (1.581, 13.43, 15.72) [0.07785, 0.6611, 0.7737]\n", + " PeriodicSite: Li (14.36, 0.9569, 7.465) [0.7069, 0.0471, 0.3675]\n", + " PeriodicSite: Li (12.41, 4.425, 17.21) [0.6109, 0.2178, 0.8474]\n", + " PeriodicSite: Li (16.02, 11.96, 3.718) [0.7889, 0.5888, 0.1831]\n", + " PeriodicSite: Li (16.29, 9.676, 17.07) [0.8019, 0.4764, 0.8405]\n", + " PeriodicSite: Li (2.927, 3.955, 9.617) [0.1441, 0.1947, 0.4735]\n", + " PeriodicSite: Li (3.407, 19.17, 16.54) [0.1677, 0.9439, 0.8143]\n", + " PeriodicSite: Li (4.891, 8.486, 7.007) [0.2408, 0.4178, 0.345]\n", + " PeriodicSite: Li (6.964, 10.28, 14.07) [0.3428, 0.5058, 0.6928]\n", + " PeriodicSite: Li (11.98, 4.939, 6.495) [0.5898, 0.2431, 0.3197]\n", + " PeriodicSite: Li (14.34, 6.593, 19.02) [0.7059, 0.3246, 0.9364]\n", + " PeriodicSite: Li (11.87, 10.48, 11.99) [0.5846, 0.5158, 0.5902]\n", + " PeriodicSite: Li (10.08, 17.8, 17.96) [0.4964, 0.8764, 0.8844]\n", + " PeriodicSite: Li (2.567, 0.6743, 5.998) [0.1264, 0.03319, 0.2953]\n", + " PeriodicSite: Li (3.628, 1.733, 15.61) [0.1786, 0.08532, 0.7683]\n", + " PeriodicSite: Li (3.565, 11.34, 5.811) [0.1755, 0.5583, 0.2861]\n", + " PeriodicSite: Li (5.159, 11.97, 16.8) [0.254, 0.5895, 0.8271]\n", + " PeriodicSite: Li (11.56, 0.7283, 8.67) [0.5693, 0.03585, 0.4269]\n", + " PeriodicSite: Li (10.55, 0.9039, 18.6) [0.5196, 0.0445, 0.9156]\n", + " PeriodicSite: Li (13.31, 13.77, 9.888) [0.6555, 0.6779, 0.4868]\n", + " PeriodicSite: Li (10.45, 12.33, 17.94) [0.5142, 0.6073, 0.8833]\n", + " PeriodicSite: Li (0.07507, 3.057, 7.381) [0.003696, 0.1505, 0.3634]\n", + " PeriodicSite: Li (3.462, 3.109, 20.22) [0.1704, 0.153, 0.9955]\n", + " PeriodicSite: Li (0.2816, 12.57, 8.545) [0.01386, 0.6187, 0.4207]\n", + " PeriodicSite: Li (4.459, 13.3, 19.16) [0.2195, 0.6549, 0.9431]\n", + " PeriodicSite: Li (13.31, 1.938, 4.976) [0.6551, 0.09538, 0.245]\n", + " PeriodicSite: Li (13.66, 0.2044, 17.28) [0.6726, 0.01006, 0.8506]\n", + " PeriodicSite: Li (10.7, 11.74, 8.413) [0.5266, 0.5779, 0.4142]\n", + " PeriodicSite: Li (13.99, 14.82, 18.33) [0.6889, 0.7297, 0.9026]\n", + " PeriodicSite: Li (5.031, 1.632, 6.845) [0.2477, 0.08032, 0.337]\n", + " PeriodicSite: Li (1.987, 0.2675, 18.79) [0.09785, 0.01317, 0.9249]\n", + " PeriodicSite: Li (5.193, 13.59, 7.979) [0.2557, 0.6693, 0.3928]\n", + " PeriodicSite: Li (0.6205, 17.43, 14.65) [0.03054, 0.8579, 0.7215]\n", + " PeriodicSite: Li (15.17, 3.494, 8.226) [0.7469, 0.172, 0.405]\n", + " PeriodicSite: Li (13.44, 2.98, 20.2) [0.6616, 0.1467, 0.9946]\n", + " PeriodicSite: Li (15.86, 16.04, 8.105) [0.781, 0.7898, 0.399]\n", + " PeriodicSite: Li (13.66, 13.67, 1.355) [0.6724, 0.6731, 0.06671]\n", + " PeriodicSite: Li (5.07, 1.543, 3.829) [0.2496, 0.07595, 0.1885]\n", + " PeriodicSite: Li (4.993, 3.024, 18.04) [0.2458, 0.1489, 0.8879]\n", + " PeriodicSite: Li (1.559, 13.64, 5.623) [0.07673, 0.6716, 0.2768]\n", + " PeriodicSite: Li (0.01443, 11.84, 2.422) [0.0007058, 0.5829, 0.1192]\n", + " PeriodicSite: Li (10.3, 3.063, 6.672) [0.5069, 0.1508, 0.3285]\n", + " PeriodicSite: Li (17.45, 20.07, 16.56) [0.859, 0.988, 0.8153]\n", + " PeriodicSite: Li (14.74, 12.18, 7.19) [0.7257, 0.5998, 0.354]\n", + " PeriodicSite: Li (14.24, 12.4, 15.89) [0.7012, 0.6102, 0.7824]\n", + " PeriodicSite: Li (2.952, 9.824, 16.95) [0.1453, 0.4836, 0.8343]\n", + " PeriodicSite: Li (2.44, 10.8, 8.435) [0.1201, 0.5316, 0.4153]\n", + " PeriodicSite: Li (4.588, 16.61, 18.45) [0.2259, 0.8176, 0.9084]\n", + " PeriodicSite: Li (1.741, 0.3133, 9.121) [0.0857, 0.01542, 0.4491]\n", + " PeriodicSite: Li (14.31, 5.953, 2.224) [0.7046, 0.2931, 0.1095]\n", + " PeriodicSite: Li (13.55, 9.896, 16.71) [0.6669, 0.4872, 0.8228]\n", + " PeriodicSite: Li (12.04, 15.1, 6.792) [0.5927, 0.7436, 0.3344]\n", + " PeriodicSite: Li (14.73, 18.05, 14.06) [0.7253, 0.8887, 0.6924]\n", + " PeriodicSite: Li (3.75, 6.822, 20.14) [0.1846, 0.3359, 0.9916]\n", + " PeriodicSite: Li (3.538, 5.015, 12.64) [0.1742, 0.2469, 0.6224]\n", + " PeriodicSite: Li (4.839, 17.19, 1.668) [0.2382, 0.8465, 0.08213]\n", + " PeriodicSite: Li (4.762, 18.29, 13.62) [0.2344, 0.9006, 0.6706]\n", + " PeriodicSite: Li (16.9, 6.609, 20.25) [0.8319, 0.3253, 0.9969]\n", + " PeriodicSite: Li (11.13, 6.351, 12.59) [0.5481, 0.3127, 0.62]\n", + " PeriodicSite: Li (13.13, 19.12, 4.473) [0.6463, 0.9415, 0.2202]\n", + " PeriodicSite: Li (10.28, 17.01, 12.93) [0.5059, 0.8376, 0.6364]\n", + " PeriodicSite: Li (0.7542, 8.323, 0.5861) [0.03713, 0.4098, 0.02885]\n", + " PeriodicSite: Li (4.537, 7.298, 10.68) [0.2234, 0.3593, 0.526]\n", + " PeriodicSite: Li (2.991, 15.09, 2.36) [0.1473, 0.743, 0.1162]\n", + " PeriodicSite: Li (3.832, 17.17, 11.1) [0.1886, 0.8452, 0.5465]\n", + " PeriodicSite: Li (11.73, 10.16, 1.23) [0.5777, 0.5004, 0.06054]\n", + " PeriodicSite: Li (12.13, 7.412, 15.05) [0.597, 0.3649, 0.7409]\n", + " PeriodicSite: Li (12.44, 16.01, 3.966) [0.6125, 0.7882, 0.1952]\n", + " PeriodicSite: Li (13.32, 15.44, 12.27) [0.6558, 0.76, 0.6038]\n", + " PeriodicSite: Li (0.6678, 7.582, 4.754) [0.03288, 0.3732, 0.234]\n", + " PeriodicSite: Li (17.17, 5.904, 10.21) [0.8455, 0.2907, 0.5026]\n", + " PeriodicSite: Li (0.7774, 17.3, 4.207) [0.03827, 0.8519, 0.2071]\n", + " PeriodicSite: Li (0.9737, 18.17, 11.36) [0.04793, 0.8946, 0.5593]\n", + " PeriodicSite: Li (10.88, 6.714, 3.221) [0.5355, 0.3305, 0.1586]\n", + " PeriodicSite: Li (14.66, 8.743, 13.8) [0.7215, 0.4304, 0.6792]\n", + " PeriodicSite: Li (13.28, 16.97, 0.5615) [0.6536, 0.8355, 0.02765]\n", + " PeriodicSite: Li (7.883, 16.25, 15.61) [0.3881, 0.7999, 0.7686]\n", + " PeriodicSite: Li (4.787, 8.185, 3.107) [0.2356, 0.403, 0.153]\n", + " PeriodicSite: Li (0.8123, 8.54, 10.78) [0.03999, 0.4205, 0.5307]\n", + " PeriodicSite: Li (1.244, 17.84, 0.6878) [0.06121, 0.8784, 0.03386]\n", + " PeriodicSite: Li (2.704, 19.74, 13.72) [0.1331, 0.9717, 0.6755]\n", + " PeriodicSite: Li (14.71, 9.516, 3.122) [0.724, 0.4685, 0.1537]\n", + " PeriodicSite: Li (12.58, 7.548, 10.04) [0.6195, 0.3716, 0.4943]\n", + " PeriodicSite: Li (11.49, 19.84, 1.778) [0.5659, 0.9769, 0.08756]\n", + " PeriodicSite: Li (13.28, 17.58, 10.4) [0.6538, 0.8655, 0.5119]\n", + " PeriodicSite: Li (5.937, 4.354, 1.918) [0.2923, 0.2143, 0.09443]\n", + " PeriodicSite: Li (4.626, 8.164, 14.08) [0.2277, 0.4019, 0.6929]\n", + " PeriodicSite: Li (4.075, 17.9, 4.37) [0.2006, 0.8812, 0.2151]\n", + " PeriodicSite: Li (1.941, 15.49, 13.65) [0.09557, 0.7626, 0.6722]\n", + " PeriodicSite: Li (12.75, 11.28, 5.348) [0.6275, 0.5553, 0.2633]\n", + " PeriodicSite: Li (14.19, 6.237, 12.21) [0.6986, 0.3071, 0.6012]\n", + " PeriodicSite: Li (15.12, 17.98, 3.444) [0.7444, 0.8854, 0.1696]\n", + " PeriodicSite: Li (15.23, 2.055, 15.82) [0.7496, 0.1012, 0.7787]\n", + " PeriodicSite: Li (9.606, 3.793, 3.021) [0.4729, 0.1867, 0.1488]\n", + " PeriodicSite: Li (9.847, 2.926, 12.88) [0.4848, 0.144, 0.634]\n", + " PeriodicSite: Li (6.712, 10.3, 2.864) [0.3304, 0.507, 0.141]\n", + " PeriodicSite: Li (3.0, 10.33, 13.61) [0.1477, 0.5088, 0.6698]\n", + " PeriodicSite: Li (17.16, 1.707, 4.911) [0.8448, 0.08402, 0.2418]\n", + " PeriodicSite: Li (13.24, 3.549, 9.71) [0.6518, 0.1747, 0.478]\n", + " PeriodicSite: Li (17.91, 10.99, 0.7735) [0.8817, 0.5409, 0.03809]\n", + " PeriodicSite: Li (17.22, 10.4, 12.83) [0.8479, 0.512, 0.6318]\n", + " PeriodicSite: Li (7.011, 18.76, 5.727) [0.3451, 0.9238, 0.2819]\n", + " PeriodicSite: Li (6.731, 2.619, 14.64) [0.3314, 0.1289, 0.7206]\n", + " PeriodicSite: Li (7.022, 13.04, 0.1629) [0.3457, 0.6419, 0.008025]\n", + " PeriodicSite: Li (9.501, 12.79, 13.88) [0.4677, 0.6298, 0.6833]\n", + " PeriodicSite: Li (16.23, 0.3582, 2.708) [0.7992, 0.01763, 0.1333]\n", + " PeriodicSite: Li (0.01035, 1.593, 11.59) [0.0005122, 0.07841, 0.5706]\n", + " PeriodicSite: Li (18.17, 12.95, 4.943) [0.8945, 0.6377, 0.2433]\n", + " PeriodicSite: Li (16.54, 14.78, 12.51) [0.8144, 0.7275, 0.6157]\n", + " PeriodicSite: Li (8.446, 5.811, 6.848) [0.4158, 0.2861, 0.3372]\n", + " PeriodicSite: Li (8.618, 0.1189, 12.46) [0.4243, 0.005851, 0.6132]\n", + " PeriodicSite: Li (9.319, 13.6, 3.987) [0.4588, 0.6698, 0.1963]\n", + " PeriodicSite: Li (6.885, 13.76, 10.4) [0.339, 0.6775, 0.5121]\n", + " PeriodicSite: Li (19.94, 2.685, 2.623) [0.9817, 0.1322, 0.1291]\n", + " PeriodicSite: Li (20.0, 3.134, 14.17) [0.9848, 0.1543, 0.6979]\n", + " PeriodicSite: Li (16.45, 14.72, 2.281) [0.8099, 0.7248, 0.1123]\n", + " PeriodicSite: Li (15.1, 12.09, 13.13) [0.7433, 0.5954, 0.6464]\n", + " PeriodicSite: Li (3.104, 19.94, 3.041) [0.1528, 0.9815, 0.1497]\n", + " PeriodicSite: Li (5.876, 0.6784, 12.99) [0.2893, 0.0334, 0.6395]\n", + " PeriodicSite: Li (5.235, 13.62, 1.914) [0.2577, 0.6703, 0.09424]\n", + " PeriodicSite: Li (8.4, 6.905, 15.42) [0.4135, 0.3399, 0.7591]\n", + " PeriodicSite: Li (18.33, 5.21, 2.985) [0.9024, 0.2565, 0.147]\n", + " PeriodicSite: Li (17.06, 0.272, 13.15) [0.8397, 0.01338, 0.6476]\n", + " PeriodicSite: Li (16.54, 14.12, 19.42) [0.8144, 0.695, 0.9562]\n", + " PeriodicSite: Li (19.72, 11.3, 12.36) [0.971, 0.5564, 0.6085]\n", + " PeriodicSite: Li (7.413, 2.764, 20.24) [0.365, 0.1361, 0.9965]\n", + " PeriodicSite: Li (5.571, 2.921, 10.84) [0.2743, 0.1438, 0.5335]\n", + " PeriodicSite: Li (9.698, 12.26, 1.343) [0.4775, 0.6038, 0.06613]\n", + " PeriodicSite: Li (8.239, 10.71, 11.31) [0.4056, 0.5272, 0.5568]\n", + " PeriodicSite: Li (15.5, 3.197, 1.638) [0.763, 0.1574, 0.08064]\n", + " PeriodicSite: Li (15.98, 3.248, 11.95) [0.7869, 0.1599, 0.5883]\n", + " PeriodicSite: Li (1.406, 12.66, 19.71) [0.06922, 0.6235, 0.9702]\n", + " PeriodicSite: Li (19.29, 14.24, 13.2) [0.9496, 0.7009, 0.6499]\n", + " PeriodicSite: Li (8.966, 0.4763, 2.612) [0.4414, 0.02345, 0.1286]\n", + " PeriodicSite: Li (8.46, 2.079, 10.04) [0.4165, 0.1023, 0.4945]\n", + " PeriodicSite: Li (6.703, 12.32, 4.62) [0.33, 0.6065, 0.2275]\n", + " PeriodicSite: Li (4.874, 13.92, 12.34) [0.2399, 0.6852, 0.6077]\n", + " PeriodicSite: Li (17.9, 2.629, 20.07) [0.8811, 0.1294, 0.9883]\n", + " PeriodicSite: Li (0.09351, 7.329, 13.62) [0.004604, 0.3608, 0.6707]\n", + " PeriodicSite: Li (3.013, 15.15, 8.587) [0.1483, 0.7458, 0.4228]\n", + " PeriodicSite: Li (16.9, 13.0, 10.62) [0.8318, 0.6398, 0.5228]\n", + " PeriodicSite: Li (13.44, 8.293, 5.319) [0.6616, 0.4083, 0.2619]\n", + " PeriodicSite: Li (5.679, 8.423, 16.86) [0.2796, 0.4147, 0.8298]\n", + " PeriodicSite: Li (6.346, 17.13, 9.892) [0.3124, 0.8432, 0.487]\n", + " PeriodicSite: Li (7.063, 15.72, 19.28) [0.3477, 0.7738, 0.9491]\n", + " PeriodicSite: Li (15.84, 9.427, 7.288) [0.78, 0.4641, 0.3588]\n", + " PeriodicSite: Li (2.75, 4.71, 17.62) [0.1354, 0.2319, 0.8674]\n", + " PeriodicSite: Li (17.2, 18.38, 5.217) [0.8469, 0.905, 0.2569]\n", + " PeriodicSite: Li (19.52, 18.45, 19.19) [0.9608, 0.9083, 0.9449]\n", + " PeriodicSite: Li (7.409, 9.302, 5.854) [0.3647, 0.4579, 0.2882]\n", + " PeriodicSite: Li (9.206, 5.366, 17.44) [0.4532, 0.2642, 0.8585]\n", + " PeriodicSite: Li (7.982, 19.86, 8.362) [0.393, 0.9776, 0.4117]\n", + " PeriodicSite: Li (6.87, 19.44, 16.67) [0.3382, 0.9573, 0.8206]\n", + " PeriodicSite: Li (18.1, 9.765, 8.955) [0.891, 0.4807, 0.4409]\n", + " PeriodicSite: Li (17.95, 6.189, 15.84) [0.8836, 0.3047, 0.7797]\n", + " PeriodicSite: Li (18.65, 19.53, 8.136) [0.9183, 0.9616, 0.4005]\n", + " PeriodicSite: Li (18.67, 15.63, 17.37) [0.919, 0.7694, 0.8554]\n", + " PeriodicSite: Li (5.621, 5.671, 8.358) [0.2767, 0.2792, 0.4115]\n", + " PeriodicSite: Li (6.048, 5.805, 18.3) [0.2978, 0.2858, 0.901]\n", + " PeriodicSite: Li (9.366, 17.68, 9.181) [0.4611, 0.8705, 0.452]\n", + " PeriodicSite: Li (11.72, 15.05, 15.98) [0.5768, 0.7409, 0.7867]\n", + " PeriodicSite: Li (19.72, 7.46, 7.871) [0.9707, 0.3673, 0.3875]\n", + " PeriodicSite: Li (20.16, 7.014, 17.36) [0.9926, 0.3453, 0.8546]\n", + " PeriodicSite: Li (17.28, 17.18, 10.26) [0.8508, 0.8458, 0.5052]\n", + " PeriodicSite: Li (16.18, 17.3, 20.3) [0.7964, 0.8515, 0.9993]\n", + " PeriodicSite: Li (9.01, 8.262, 8.947) [0.4436, 0.4067, 0.4405]\n", + " PeriodicSite: Li (7.274, 6.896, 20.09) [0.3581, 0.3395, 0.989]\n", + " PeriodicSite: Li (5.339, 18.25, 7.226) [0.2628, 0.8986, 0.3558]\n", + " PeriodicSite: Li (7.545, 15.38, 2.458) [0.3715, 0.7574, 0.121]\n", + " PeriodicSite: Li (15.02, 6.812, 8.595) [0.7392, 0.3354, 0.4231]\n", + " PeriodicSite: Li (19.53, 9.96, 18.15) [0.9615, 0.4903, 0.8937]\n", + " PeriodicSite: Li (15.36, 18.74, 7.083) [0.7562, 0.9224, 0.3487]\n", + " PeriodicSite: Li (15.88, 18.05, 16.34) [0.7816, 0.8888, 0.8044]\n", + " PeriodicSite: Li (6.952, 4.902, 11.96) [0.3422, 0.2413, 0.589]\n", + " PeriodicSite: Li (8.378, 9.909, 17.91) [0.4124, 0.4879, 0.8816]\n", + " PeriodicSite: Li (9.56, 17.63, 6.153) [0.4707, 0.8678, 0.3029]\n", + " PeriodicSite: Li (10.04, 17.24, 3.023) [0.494, 0.8488, 0.1489]\n", + " PeriodicSite: Li (17.18, 8.283, 5.243) [0.8458, 0.4078, 0.2581]\n", + " PeriodicSite: Li (15.53, 3.755, 18.41) [0.7643, 0.1849, 0.9062]\n", + " PeriodicSite: Li (19.08, 15.89, 7.275) [0.9394, 0.7825, 0.3582]\n", + " PeriodicSite: Li (19.02, 0.417, 2.054) [0.9364, 0.02052, 0.1011]\n", + " PeriodicSite: Li (3.321, 10.26, 2.81) [0.1635, 0.505, 0.1384]\n", + " PeriodicSite: Li (9.938, 8.271, 18.78) [0.4893, 0.4072, 0.9245]\n", + " PeriodicSite: Li (7.789, 15.42, 7.787) [0.3835, 0.7589, 0.3834]\n", + " PeriodicSite: Li (7.739, 19.25, 19.96) [0.381, 0.9478, 0.9828]\n", + " PeriodicSite: Li (17.68, 5.61, 6.965) [0.8703, 0.2762, 0.3429]\n", + " PeriodicSite: Li (16.95, 12.15, 15.39) [0.8343, 0.5981, 0.7578]\n", + " PeriodicSite: Li (19.09, 14.42, 2.426) [0.9397, 0.7099, 0.1194]\n", + " PeriodicSite: Li (13.82, 1.018, 13.67) [0.6802, 0.05012, 0.6729]\n", + " PeriodicSite: Cl (6.98, 12.37, 12.38) [0.3436, 0.6089, 0.6096]\n", + " PeriodicSite: Cl (2.867, 12.97, 17.83) [0.1411, 0.6387, 0.8776]\n", + " PeriodicSite: Cl (12.63, 17.65, 12.66) [0.6216, 0.8689, 0.6234]\n", + " PeriodicSite: Cl (17.84, 7.866, 17.89) [0.8782, 0.3873, 0.8809]\n", + " PeriodicSite: Cl (7.738, 2.436, 2.306) [0.381, 0.1199, 0.1135]\n", + " PeriodicSite: Cl (7.069, 7.883, 7.449) [0.348, 0.3881, 0.3667]\n", + " PeriodicSite: Cl (12.46, 13.01, 7.588) [0.6136, 0.6407, 0.3736]\n", + " PeriodicSite: Cl (2.677, 7.977, 2.035) [0.1318, 0.3927, 0.1002]\n", + " PeriodicSite: Cl (2.607, 7.749, 12.74) [0.1283, 0.3815, 0.6274]\n", + " PeriodicSite: Cl (12.62, 13.05, 17.33) [0.6211, 0.6425, 0.8531]\n", + " PeriodicSite: Cl (17.9, 17.61, 17.66) [0.881, 0.867, 0.8692]\n", + " PeriodicSite: Cl (2.401, 2.656, 7.396) [0.1182, 0.1308, 0.3641]\n", + " PeriodicSite: Cl (13.03, 2.479, 17.94) [0.6414, 0.1221, 0.883]\n", + " PeriodicSite: Cl (12.59, 8.08, 2.832) [0.62, 0.3978, 0.1394]\n", + " PeriodicSite: Cl (18.11, 2.225, 12.51) [0.8914, 0.1095, 0.6158]\n", + " PeriodicSite: Cl (7.737, 17.61, 17.9) [0.3809, 0.867, 0.8813]\n", + " PeriodicSite: Cl (0.07882, 20.12, 0.3911) [0.003871, 0.9905, 0.01926]\n", + " PeriodicSite: Cl (20.09, 20.22, 10.35) [0.989, 0.9956, 0.5095]\n", + " PeriodicSite: Cl (20.29, 10.43, 0.1) [0.9987, 0.5137, 0.004932]\n", + " PeriodicSite: Cl (20.24, 10.3, 9.809) [0.9962, 0.5072, 0.4829]\n", + " PeriodicSite: Cl (9.784, 20.1, 0.4921) [0.4817, 0.9895, 0.02423]\n", + " PeriodicSite: Cl (9.551, 20.29, 10.19) [0.4702, 0.9989, 0.5019]\n", + " PeriodicSite: Cl (10.21, 10.62, 19.66) [0.5026, 0.5228, 0.9679]\n", + " PeriodicSite: Cl (10.08, 10.07, 10.0) [0.4964, 0.4957, 0.4925]\n", + " PeriodicSite: Cl (20.15, 5.367, 4.993) [0.9922, 0.2642, 0.2458]\n", + " PeriodicSite: Cl (19.9, 5.337, 15.21) [0.9798, 0.2627, 0.749]\n", + " PeriodicSite: Cl (20.02, 15.01, 5.055) [0.9854, 0.7391, 0.2489]\n", + " PeriodicSite: Cl (0.2446, 15.25, 15.29) [0.01204, 0.7505, 0.7528]\n", + " PeriodicSite: Cl (10.12, 5.248, 5.002) [0.4983, 0.2584, 0.2463]\n", + " PeriodicSite: Cl (10.0, 5.339, 15.24) [0.4924, 0.2629, 0.7502]\n", + " PeriodicSite: Cl (10.25, 15.6, 5.111) [0.5048, 0.768, 0.2516]\n", + " PeriodicSite: Cl (9.871, 15.03, 14.81) [0.486, 0.74, 0.729]\n", + " PeriodicSite: S (4.858, 19.99, 5.345) [0.2392, 0.984, 0.2631]\n", + " PeriodicSite: S (4.909, 19.95, 15.11) [0.2417, 0.9822, 0.744]\n", + " PeriodicSite: S (5.292, 10.2, 4.626) [0.2605, 0.5021, 0.2277]\n", + " PeriodicSite: S (4.643, 10.04, 15.17) [0.2286, 0.4943, 0.747]\n", + " PeriodicSite: S (15.21, 20.1, 5.172) [0.749, 0.9895, 0.2546]\n", + " PeriodicSite: S (15.14, 20.13, 15.28) [0.7451, 0.9911, 0.7523]\n", + " PeriodicSite: S (14.88, 10.19, 5.252) [0.7326, 0.5019, 0.2586]\n", + " PeriodicSite: S (15.31, 10.56, 15.16) [0.7536, 0.52, 0.7465]\n", + " PeriodicSite: S (5.139, 4.715, 19.93) [0.253, 0.2321, 0.9811]\n", + " PeriodicSite: S (4.946, 5.212, 10.6) [0.2435, 0.2566, 0.5219]\n", + " PeriodicSite: S (5.101, 15.32, 0.1701) [0.2511, 0.754, 0.008375]\n", + " PeriodicSite: S (4.858, 15.26, 10.1) [0.2391, 0.7511, 0.4975]\n", + " PeriodicSite: S (14.97, 5.103, 0.04903) [0.7372, 0.2512, 0.002418]\n", + " PeriodicSite: S (15.0, 5.256, 10.27) [0.7385, 0.2588, 0.5055]\n", + " PeriodicSite: S (14.96, 15.36, 0.3591) [0.7363, 0.7562, 0.01769]\n", + " PeriodicSite: S (14.85, 15.77, 10.45) [0.731, 0.7765, 0.5144]\n", + " PeriodicSite: S (9.117, 3.933, 8.585) [0.4489, 0.1936, 0.4226]\n", + " PeriodicSite: S (9.363, 3.338, 19.09) [0.461, 0.1643, 0.9399]\n", + " PeriodicSite: S (9.043, 13.9, 8.744) [0.4452, 0.6845, 0.4305]\n", + " PeriodicSite: S (8.889, 13.85, 19.17) [0.4376, 0.682, 0.9436]\n", + " PeriodicSite: S (19.1, 4.5, 9.06) [0.9402, 0.2215, 0.446]\n", + " PeriodicSite: S (18.91, 4.592, 18.91) [0.931, 0.226, 0.9312]\n", + " PeriodicSite: S (18.94, 14.21, 9.023) [0.9325, 0.6997, 0.4442]\n", + " PeriodicSite: S (19.12, 13.67, 19.31) [0.9413, 0.6729, 0.9507]\n", + " PeriodicSite: S (4.139, 1.07, 1.344) [0.2038, 0.05268, 0.06619]\n", + " PeriodicSite: S (3.73, 1.188, 11.07) [0.1836, 0.05849, 0.5448]\n", + " PeriodicSite: S (3.923, 11.57, 0.8797) [0.1931, 0.5695, 0.04331]\n", + " PeriodicSite: S (3.861, 11.35, 11.59) [0.1901, 0.5586, 0.5708]\n", + " PeriodicSite: S (14.04, 1.158, 1.015) [0.691, 0.05701, 0.04997]\n", + " PeriodicSite: S (14.09, 1.474, 11.28) [0.6938, 0.07256, 0.5555]\n", + " PeriodicSite: S (14.08, 11.28, 1.276) [0.6933, 0.5555, 0.06282]\n", + " PeriodicSite: S (14.02, 11.61, 11.12) [0.6903, 0.5714, 0.5473]\n", + " PeriodicSite: S (6.229, 1.196, 8.724) [0.3067, 0.05889, 0.4295]\n", + " PeriodicSite: S (6.306, 0.7041, 19.07) [0.3104, 0.03466, 0.9389]\n", + " PeriodicSite: S (6.61, 11.24, 9.537) [0.3254, 0.5533, 0.4695]\n", + " PeriodicSite: S (6.189, 11.28, 18.88) [0.3047, 0.5554, 0.9296]\n", + " PeriodicSite: S (16.28, 1.18, 9.0) [0.8016, 0.05808, 0.4431]\n", + " PeriodicSite: S (16.21, 1.369, 18.76) [0.798, 0.06739, 0.9238]\n", + " PeriodicSite: S (16.31, 11.38, 8.637) [0.8029, 0.5605, 0.4252]\n", + " PeriodicSite: S (16.45, 11.19, 19.11) [0.8098, 0.5509, 0.9408]\n", + " PeriodicSite: S (0.9738, 3.675, 1.012) [0.04794, 0.1809, 0.04982]\n", + " PeriodicSite: S (1.108, 4.004, 11.27) [0.05456, 0.1971, 0.555]\n", + " PeriodicSite: S (1.065, 14.05, 1.084) [0.05243, 0.6915, 0.05336]\n", + " PeriodicSite: S (0.8264, 13.91, 11.52) [0.04068, 0.6848, 0.5673]\n", + " PeriodicSite: S (11.55, 3.905, 1.317) [0.5688, 0.1922, 0.06484]\n", + " PeriodicSite: S (11.23, 4.222, 11.24) [0.5528, 0.2078, 0.5534]\n", + " PeriodicSite: S (11.14, 14.03, 1.312) [0.5483, 0.6908, 0.0646]\n", + " PeriodicSite: S (11.35, 13.57, 11.42) [0.5588, 0.6679, 0.5623]\n", + " PeriodicSite: S (2.798, 2.397, 17.75) [0.1377, 0.118, 0.8738]\n", + " PeriodicSite: S (2.785, 12.97, 7.887) [0.1371, 0.6383, 0.3883]\n", + " PeriodicSite: S (12.64, 2.743, 7.385) [0.6224, 0.135, 0.3636]\n", + " PeriodicSite: S (8.903, 9.11, 3.697) [0.4383, 0.4485, 0.182]\n", + " PeriodicSite: S (9.135, 8.984, 13.82) [0.4497, 0.4423, 0.6803]\n", + " PeriodicSite: S (8.732, 19.12, 4.183) [0.4299, 0.9411, 0.2059]\n", + " PeriodicSite: S (8.579, 18.83, 14.58) [0.4223, 0.927, 0.7175]\n", + " PeriodicSite: S (19.52, 9.192, 4.358) [0.9611, 0.4525, 0.2145]\n", + " PeriodicSite: S (18.97, 9.148, 13.72) [0.9337, 0.4504, 0.6755]\n", + " PeriodicSite: S (18.96, 19.25, 3.984) [0.9335, 0.9475, 0.1961]\n", + " PeriodicSite: S (18.85, 19.4, 14.55) [0.9282, 0.9551, 0.7163]\n", + " PeriodicSite: S (3.714, 6.091, 5.82) [0.1829, 0.2999, 0.2865]\n", + " PeriodicSite: S (4.119, 6.271, 16.52) [0.2028, 0.3087, 0.8132]\n", + " PeriodicSite: S (3.845, 16.37, 6.316) [0.1893, 0.8059, 0.311]\n", + " PeriodicSite: S (4.121, 16.95, 16.42) [0.2029, 0.8346, 0.8083]\n", + " PeriodicSite: S (14.24, 5.926, 6.417) [0.7012, 0.2917, 0.3159]\n", + " PeriodicSite: S (13.79, 6.159, 16.49) [0.6791, 0.3032, 0.8116]\n", + " PeriodicSite: S (14.05, 16.49, 6.056) [0.6915, 0.812, 0.2982]\n", + " PeriodicSite: S (13.81, 16.46, 16.66) [0.6798, 0.8102, 0.8203]\n", + " PeriodicSite: S (6.318, 6.263, 3.749) [0.3111, 0.3083, 0.1846]\n", + " PeriodicSite: S (6.279, 6.379, 14.04) [0.3091, 0.314, 0.6914]\n", + " PeriodicSite: S (6.133, 16.67, 4.044) [0.302, 0.8209, 0.1991]\n", + " PeriodicSite: S (6.086, 16.13, 13.94) [0.2996, 0.7942, 0.6863]\n", + " PeriodicSite: S (16.54, 6.15, 4.065) [0.8142, 0.3027, 0.2001]\n", + " PeriodicSite: S (16.2, 6.628, 14.15) [0.7978, 0.3263, 0.6966]\n", + " PeriodicSite: S (16.62, 16.29, 4.133) [0.8183, 0.802, 0.2035]\n", + " PeriodicSite: S (16.35, 16.32, 14.34) [0.8049, 0.8036, 0.7058]\n", + " PeriodicSite: S (1.811, 9.298, 6.542) [0.08916, 0.4578, 0.3221]\n", + " PeriodicSite: S (0.9049, 8.784, 16.16) [0.04455, 0.4324, 0.7956]\n", + " PeriodicSite: S (1.052, 19.0, 6.175) [0.05177, 0.9356, 0.304]\n", + " PeriodicSite: S (1.016, 19.09, 16.7) [0.05002, 0.9399, 0.8221]\n", + " PeriodicSite: S (11.37, 9.412, 6.092) [0.5596, 0.4634, 0.2999]\n", + " PeriodicSite: S (11.38, 9.324, 16.37) [0.5602, 0.459, 0.8059]\n", + " PeriodicSite: S (11.45, 18.96, 6.28) [0.5634, 0.9334, 0.3092]\n", + " PeriodicSite: S (11.44, 19.26, 16.72) [0.5631, 0.9482, 0.823]\n", + " PeriodicSite: S (2.576, 17.42, 2.668) [0.1268, 0.8574, 0.1314]\n", + " PeriodicSite: S (2.38, 17.52, 13.06) [0.1172, 0.8628, 0.643]\n", + " PeriodicSite: S (12.8, 7.933, 12.78) [0.6302, 0.3906, 0.6293]\n", + " PeriodicSite: S (12.32, 17.93, 2.654) [0.6063, 0.8828, 0.1307]\n", + " PeriodicSite: S (4.181, 3.574, 3.763) [0.2058, 0.176, 0.1852]\n", + " PeriodicSite: S (4.143, 3.844, 14.52) [0.204, 0.1892, 0.7149]\n", + " PeriodicSite: S (4.0, 13.99, 4.101) [0.1969, 0.6886, 0.2019]\n", + " PeriodicSite: S (3.603, 13.94, 14.48) [0.1774, 0.6865, 0.7127]\n", + " PeriodicSite: S (14.1, 3.775, 3.791) [0.694, 0.1859, 0.1866]\n", + " PeriodicSite: S (14.13, 3.672, 14.02) [0.6958, 0.1808, 0.6903]\n", + " PeriodicSite: S (14.04, 14.06, 3.906) [0.6914, 0.6923, 0.1923]\n", + " PeriodicSite: S (13.94, 13.92, 14.3) [0.686, 0.6851, 0.7042]\n", + " PeriodicSite: S (9.25, 0.9073, 6.76) [0.4554, 0.04467, 0.3328]\n", + " PeriodicSite: S (8.823, 1.122, 16.75) [0.4344, 0.05525, 0.8247]\n", + " PeriodicSite: S (8.79, 11.45, 5.988) [0.4327, 0.5636, 0.2948]\n", + " PeriodicSite: S (8.954, 11.53, 16.02) [0.4408, 0.5678, 0.7886]\n", + " PeriodicSite: S (19.22, 0.9371, 6.604) [0.9462, 0.04612, 0.3251]\n", + " PeriodicSite: S (19.3, 1.602, 16.58) [0.9503, 0.07888, 0.8164]\n", + " PeriodicSite: S (19.41, 11.66, 6.573) [0.9557, 0.5738, 0.3236]\n", + " PeriodicSite: S (18.94, 11.34, 16.31) [0.9325, 0.5584, 0.8031]\n", + " PeriodicSite: S (1.055, 1.208, 3.874) [0.05193, 0.05949, 0.1907]\n", + " PeriodicSite: S (1.328, 1.1, 14.18) [0.06537, 0.05414, 0.6981]\n", + " PeriodicSite: S (1.685, 11.61, 4.121) [0.08294, 0.5714, 0.2029]\n", + " PeriodicSite: S (0.9455, 11.58, 14.11) [0.04655, 0.57, 0.6947]\n", + " PeriodicSite: S (11.03, 0.9986, 3.755) [0.5432, 0.04916, 0.1848]\n", + " PeriodicSite: S (10.74, 0.4922, 13.74) [0.5289, 0.02423, 0.6762]\n", + " PeriodicSite: S (11.22, 11.61, 3.475) [0.5522, 0.5715, 0.1711]\n", + " PeriodicSite: S (11.64, 11.53, 13.89) [0.5729, 0.5676, 0.684]\n", + " PeriodicSite: S (6.329, 4.072, 6.349) [0.3116, 0.2004, 0.3126]\n", + " PeriodicSite: S (6.679, 4.1, 16.64) [0.3288, 0.2018, 0.819]\n", + " PeriodicSite: S (6.567, 14.23, 6.103) [0.3233, 0.7005, 0.3004]\n", + " PeriodicSite: S (6.103, 14.22, 16.53) [0.3005, 0.6999, 0.8139]\n", + " PeriodicSite: S (16.52, 3.532, 6.168) [0.8133, 0.1739, 0.3037]\n", + " PeriodicSite: S (16.48, 4.014, 16.34) [0.8111, 0.1976, 0.8044]\n", + " PeriodicSite: S (16.13, 13.83, 6.293) [0.7941, 0.6808, 0.3098]\n", + " PeriodicSite: S (16.25, 14.12, 16.8) [0.7998, 0.6953, 0.827]\n", + " PeriodicSite: S (7.473, 2.369, 12.52) [0.3679, 0.1166, 0.6162]\n", + " PeriodicSite: S (7.538, 12.86, 2.585) [0.3711, 0.6332, 0.1273]\n", + " PeriodicSite: S (17.67, 2.388, 2.298) [0.8698, 0.1176, 0.1131]\n", + " PeriodicSite: S (17.94, 12.51, 2.805) [0.883, 0.6157, 0.1381]\n", + " PeriodicSite: S (17.52, 12.75, 12.85) [0.8628, 0.6278, 0.6328]\n", + " PeriodicSite: S (4.144, 9.082, 9.248) [0.204, 0.4471, 0.4553]\n", + " PeriodicSite: S (3.616, 8.968, 18.92) [0.178, 0.4415, 0.9316]\n", + " PeriodicSite: S (3.702, 19.05, 8.889) [0.1822, 0.9379, 0.4376]\n", + " PeriodicSite: S (3.633, 18.85, 19.4) [0.1789, 0.9279, 0.9553]\n", + " PeriodicSite: S (13.94, 9.336, 8.793) [0.6865, 0.4596, 0.4329]\n", + " PeriodicSite: S (14.15, 9.085, 18.89) [0.6969, 0.4472, 0.9298]\n", + " PeriodicSite: S (13.68, 19.44, 9.005) [0.6735, 0.9569, 0.4433]\n", + " PeriodicSite: S (14.56, 18.73, 19.05) [0.7167, 0.9222, 0.938]\n", + " PeriodicSite: S (9.051, 5.72, 1.356) [0.4456, 0.2816, 0.06676]\n", + " PeriodicSite: S (8.919, 6.33, 10.97) [0.4391, 0.3117, 0.5399]\n", + " PeriodicSite: S (9.0, 16.52, 0.9492) [0.4431, 0.8135, 0.04674]\n", + " PeriodicSite: S (8.802, 16.08, 11.04) [0.4333, 0.7917, 0.5434]\n", + " PeriodicSite: S (19.31, 6.581, 1.36) [0.9505, 0.324, 0.06694]\n", + " PeriodicSite: S (19.2, 6.66, 11.51) [0.9454, 0.3279, 0.5667]\n", + " PeriodicSite: S (18.93, 16.18, 1.265) [0.9319, 0.7965, 0.06229]\n", + " PeriodicSite: S (18.93, 16.21, 11.92) [0.9321, 0.7978, 0.5868]\n", + " PeriodicSite: S (1.297, 6.699, 9.321) [0.06385, 0.3298, 0.4589]\n", + " PeriodicSite: S (1.367, 6.245, 19.12) [0.0673, 0.3075, 0.9411]\n", + " PeriodicSite: S (1.007, 16.44, 9.45) [0.04957, 0.8096, 0.4653]\n", + " PeriodicSite: S (0.8412, 16.48, 18.92) [0.04141, 0.8112, 0.9312]\n", + " PeriodicSite: S (11.08, 6.399, 8.457) [0.5455, 0.315, 0.4163]\n", + " PeriodicSite: S (11.12, 5.907, 18.81) [0.5475, 0.2908, 0.926]\n", + " PeriodicSite: S (11.25, 16.37, 8.801) [0.5538, 0.8059, 0.4333]\n", + " PeriodicSite: S (11.41, 15.93, 18.88) [0.5616, 0.7844, 0.9297]\n", + " PeriodicSite: S (6.032, 8.769, 0.8942) [0.2969, 0.4317, 0.04402]\n", + " PeriodicSite: S (6.062, 8.89, 11.9) [0.2985, 0.4377, 0.586]\n", + " PeriodicSite: S (6.242, 19.07, 1.448) [0.3073, 0.9386, 0.07131]\n", + " PeriodicSite: S (6.144, 19.13, 11.33) [0.3025, 0.9418, 0.5577]\n", + " PeriodicSite: S (16.14, 8.858, 1.191) [0.7948, 0.4361, 0.05862]\n", + " PeriodicSite: S (16.37, 8.998, 11.22) [0.8058, 0.443, 0.5524]\n", + " PeriodicSite: S (16.68, 19.32, 1.02) [0.821, 0.9512, 0.05023]\n", + " PeriodicSite: S (16.28, 19.03, 11.37) [0.8013, 0.9368, 0.5597]\n", + " PeriodicSite: S (7.998, 7.464, 17.65) [0.3937, 0.3675, 0.8689]\n", + " PeriodicSite: S (7.566, 17.7, 7.682) [0.3725, 0.8712, 0.3782]\n", + " PeriodicSite: S (17.39, 7.731, 7.697) [0.8562, 0.3806, 0.379]\n", + " PeriodicSite: S (17.54, 17.62, 7.698) [0.8636, 0.8673, 0.379]\n", + " PeriodicSite: P (5.0, 20.02, 0.1783) [0.2461, 0.9856, 0.008783]\n", + " PeriodicSite: P (5.051, 20.22, 9.996) [0.2486, 0.9953, 0.4921]\n", + " PeriodicSite: P (4.912, 10.15, 20.01) [0.2418, 0.4997, 0.9852]\n", + " PeriodicSite: P (5.307, 10.15, 10.64) [0.2613, 0.4997, 0.524]\n", + " PeriodicSite: P (15.3, 20.29, 20.12) [0.7532, 0.999, 0.9905]\n", + " PeriodicSite: P (15.14, 0.07716, 10.29) [0.7455, 0.003792, 0.5065]\n", + " PeriodicSite: P (15.26, 10.12, 20.18) [0.7512, 0.4981, 0.9933]\n", + " PeriodicSite: P (15.18, 10.28, 10.07) [0.7475, 0.5063, 0.496]\n", + " PeriodicSite: P (5.21, 5.057, 4.851) [0.2565, 0.2489, 0.2388]\n", + " PeriodicSite: P (5.4, 5.233, 15.42) [0.2658, 0.2576, 0.7591]\n", + " PeriodicSite: P (5.105, 15.32, 5.184) [0.2513, 0.7541, 0.2552]\n", + " PeriodicSite: P (4.927, 15.42, 15.3) [0.2425, 0.7592, 0.7531]\n", + " PeriodicSite: P (15.3, 4.745, 5.084) [0.753, 0.2336, 0.2503]\n", + " PeriodicSite: P (15.28, 5.174, 15.14) [0.7522, 0.2547, 0.7452]\n", + " PeriodicSite: P (15.22, 15.18, 5.071) [0.7495, 0.7475, 0.2496]\n", + " PeriodicSite: P (15.09, 15.19, 15.49) [0.7427, 0.7477, 0.7628]\n", + " PeriodicSite: P (20.23, 0.04468, 5.096) [0.9961, 0.002191, 0.2509]\n", + " PeriodicSite: P (20.28, 0.2223, 15.4) [0.9982, 0.01094, 0.7584]\n", + " PeriodicSite: P (0.447, 10.43, 5.506) [0.022, 0.5136, 0.2711]\n", + " PeriodicSite: P (20.08, 10.21, 15.16) [0.9885, 0.5028, 0.7461]\n", + " PeriodicSite: P (10.18, 20.21, 5.205) [0.501, 0.9951, 0.2563]\n", + " PeriodicSite: P (9.926, 20.12, 15.41) [0.4887, 0.9907, 0.7585]\n", + " PeriodicSite: P (10.07, 10.31, 4.772) [0.4958, 0.5074, 0.2349]\n", + " PeriodicSite: P (10.27, 10.28, 14.98) [0.5055, 0.506, 0.7373]\n", + " PeriodicSite: P (20.22, 5.203, 0.06211) [0.9953, 0.2561, 0.003064]\n", + " PeriodicSite: P (0.06724, 5.489, 10.27) [0.00331, 0.2702, 0.5055]\n", + " PeriodicSite: P (20.1, 15.26, 20.22) [0.9894, 0.7512, 0.9953]\n", + " PeriodicSite: P (20.04, 15.2, 10.47) [0.9868, 0.7481, 0.5155]\n", + " PeriodicSite: P (10.22, 4.807, 0.0235) [0.5031, 0.2367, 0.00116]\n", + " PeriodicSite: P (10.06, 5.236, 9.881) [0.4953, 0.2578, 0.4865]\n", + " PeriodicSite: P (10.13, 15.08, 20.24) [0.4988, 0.7425, 0.9966]\n", + " PeriodicSite: P (10.16, 14.98, 10.06) [0.5001, 0.7375, 0.4952],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.26, 4.526, 4.571) [0.1113, 0.2228, 0.225]\n", + " PeriodicSite: Li (0.1956, 3.002, 17.74) [0.009632, 0.1478, 0.8735]\n", + " PeriodicSite: Li (2.972, 13.15, 10.1) [0.1463, 0.6476, 0.497]\n", + " PeriodicSite: Li (1.602, 13.56, 15.68) [0.07887, 0.6677, 0.7719]\n", + " PeriodicSite: Li (14.13, 0.8281, 7.125) [0.6954, 0.04076, 0.3508]\n", + " PeriodicSite: Li (12.25, 4.542, 17.25) [0.603, 0.2236, 0.8492]\n", + " PeriodicSite: Li (15.95, 12.14, 4.091) [0.7852, 0.5977, 0.2014]\n", + " PeriodicSite: Li (16.23, 9.702, 17.12) [0.7992, 0.4777, 0.8428]\n", + " PeriodicSite: Li (2.682, 4.451, 9.235) [0.132, 0.2191, 0.4546]\n", + " PeriodicSite: Li (3.893, 19.56, 16.62) [0.1917, 0.963, 0.8181]\n", + " PeriodicSite: Li (5.013, 8.221, 7.187) [0.2468, 0.4047, 0.3538]\n", + " PeriodicSite: Li (6.254, 10.99, 13.57) [0.3079, 0.5411, 0.668]\n", + " PeriodicSite: Li (12.33, 5.073, 7.592) [0.6072, 0.2498, 0.3738]\n", + " PeriodicSite: Li (13.82, 6.361, 20.05) [0.6802, 0.3132, 0.9869]\n", + " PeriodicSite: Li (11.79, 9.69, 12.1) [0.5803, 0.4771, 0.5959]\n", + " PeriodicSite: Li (10.07, 17.65, 17.77) [0.4956, 0.8687, 0.8748]\n", + " PeriodicSite: Li (2.599, 0.7921, 5.926) [0.128, 0.039, 0.2918]\n", + " PeriodicSite: Li (2.961, 2.319, 15.9) [0.1458, 0.1142, 0.7827]\n", + " PeriodicSite: Li (3.506, 11.1, 6.144) [0.1726, 0.5464, 0.3025]\n", + " PeriodicSite: Li (4.934, 12.28, 15.89) [0.2429, 0.6044, 0.7822]\n", + " PeriodicSite: Li (11.15, 0.5481, 8.554) [0.5491, 0.02698, 0.4211]\n", + " PeriodicSite: Li (10.5, 1.345, 17.9) [0.5168, 0.06622, 0.881]\n", + " PeriodicSite: Li (13.46, 13.42, 9.966) [0.6624, 0.6605, 0.4907]\n", + " PeriodicSite: Li (9.904, 11.85, 18.27) [0.4876, 0.5836, 0.8996]\n", + " PeriodicSite: Li (0.2377, 3.105, 7.343) [0.0117, 0.1529, 0.3615]\n", + " PeriodicSite: Li (3.3, 3.183, 0.1286) [0.1625, 0.1567, 0.006334]\n", + " PeriodicSite: Li (20.28, 12.43, 8.806) [0.9983, 0.6121, 0.4335]\n", + " PeriodicSite: Li (4.496, 13.19, 18.93) [0.2213, 0.6495, 0.9321]\n", + " PeriodicSite: Li (13.62, 1.833, 4.851) [0.6705, 0.09022, 0.2388]\n", + " PeriodicSite: Li (13.7, 0.3253, 17.31) [0.6745, 0.01601, 0.852]\n", + " PeriodicSite: Li (10.46, 11.31, 7.879) [0.5152, 0.5568, 0.3879]\n", + " PeriodicSite: Li (13.62, 14.72, 18.38) [0.6708, 0.7248, 0.905]\n", + " PeriodicSite: Li (5.705, 1.828, 6.236) [0.2809, 0.08997, 0.307]\n", + " PeriodicSite: Li (2.446, 0.391, 18.71) [0.1204, 0.01925, 0.9213]\n", + " PeriodicSite: Li (5.078, 13.13, 8.257) [0.25, 0.6466, 0.4065]\n", + " PeriodicSite: Li (0.5396, 17.8, 14.17) [0.02656, 0.8763, 0.6976]\n", + " PeriodicSite: Li (14.5, 3.847, 7.625) [0.714, 0.1894, 0.3754]\n", + " PeriodicSite: Li (13.78, 3.138, 0.1728) [0.6782, 0.1545, 0.008511]\n", + " PeriodicSite: Li (15.57, 15.9, 8.044) [0.7664, 0.7828, 0.396]\n", + " PeriodicSite: Li (13.59, 13.52, 0.7361) [0.6689, 0.6654, 0.03625]\n", + " PeriodicSite: Li (5.453, 0.7861, 3.09) [0.2685, 0.0387, 0.1521]\n", + " PeriodicSite: Li (5.034, 2.978, 18.19) [0.2479, 0.1466, 0.8953]\n", + " PeriodicSite: Li (1.59, 13.46, 5.859) [0.07829, 0.6624, 0.2885]\n", + " PeriodicSite: Li (19.6, 11.25, 2.616) [0.9649, 0.5536, 0.1288]\n", + " PeriodicSite: Li (10.47, 3.13, 6.664) [0.5154, 0.1541, 0.3281]\n", + " PeriodicSite: Li (17.2, 20.29, 16.59) [0.8467, 0.9988, 0.8166]\n", + " PeriodicSite: Li (14.92, 12.06, 6.993) [0.7348, 0.5937, 0.3443]\n", + " PeriodicSite: Li (14.21, 12.39, 15.6) [0.6997, 0.6099, 0.7682]\n", + " PeriodicSite: Li (3.028, 10.22, 17.04) [0.1491, 0.503, 0.8387]\n", + " PeriodicSite: Li (2.909, 10.6, 8.792) [0.1432, 0.5217, 0.4328]\n", + " PeriodicSite: Li (4.42, 16.39, 18.95) [0.2176, 0.8071, 0.9328]\n", + " PeriodicSite: Li (2.217, 1.044, 9.628) [0.1091, 0.0514, 0.474]\n", + " PeriodicSite: Li (14.69, 6.45, 2.19) [0.723, 0.3176, 0.1078]\n", + " PeriodicSite: Li (12.98, 10.3, 16.87) [0.6391, 0.5071, 0.8304]\n", + " PeriodicSite: Li (11.99, 14.9, 6.769) [0.5905, 0.7337, 0.3332]\n", + " PeriodicSite: Li (14.52, 18.12, 14.48) [0.715, 0.8921, 0.7126]\n", + " PeriodicSite: Li (3.955, 7.011, 0.5937) [0.1947, 0.3451, 0.02923]\n", + " PeriodicSite: Li (3.504, 4.398, 12.41) [0.1725, 0.2165, 0.6107]\n", + " PeriodicSite: Li (4.544, 17.03, 1.907) [0.2237, 0.8382, 0.09389]\n", + " PeriodicSite: Li (3.77, 18.12, 14.51) [0.1856, 0.8921, 0.7143]\n", + " PeriodicSite: Li (17.18, 6.451, 20.04) [0.8456, 0.3176, 0.9866]\n", + " PeriodicSite: Li (10.84, 6.038, 12.75) [0.5336, 0.2973, 0.6278]\n", + " PeriodicSite: Li (13.53, 18.56, 4.847) [0.6659, 0.9137, 0.2386]\n", + " PeriodicSite: Li (10.17, 16.87, 13.19) [0.5004, 0.8303, 0.6494]\n", + " PeriodicSite: Li (0.6956, 8.174, 0.8963) [0.03424, 0.4024, 0.04413]\n", + " PeriodicSite: Li (4.588, 6.88, 11.09) [0.2259, 0.3387, 0.5458]\n", + " PeriodicSite: Li (2.46, 15.36, 2.61) [0.1211, 0.7563, 0.1285]\n", + " PeriodicSite: Li (3.334, 17.13, 10.77) [0.1641, 0.8432, 0.5303]\n", + " PeriodicSite: Li (11.73, 9.775, 1.619) [0.5774, 0.4812, 0.07972]\n", + " PeriodicSite: Li (13.0, 7.424, 14.76) [0.6399, 0.3655, 0.7264]\n", + " PeriodicSite: Li (12.24, 15.61, 3.399) [0.6024, 0.7684, 0.1673]\n", + " PeriodicSite: Li (13.1, 15.34, 12.23) [0.6449, 0.755, 0.6021]\n", + " PeriodicSite: Li (1.881, 7.896, 4.561) [0.09263, 0.3887, 0.2246]\n", + " PeriodicSite: Li (17.38, 6.526, 9.945) [0.8558, 0.3213, 0.4896]\n", + " PeriodicSite: Li (0.4543, 17.54, 3.982) [0.02236, 0.8635, 0.196]\n", + " PeriodicSite: Li (0.2775, 18.26, 11.25) [0.01365, 0.8991, 0.5539]\n", + " PeriodicSite: Li (9.98, 6.738, 3.415) [0.4913, 0.3317, 0.1681]\n", + " PeriodicSite: Li (14.7, 8.387, 12.8) [0.7239, 0.4129, 0.6302]\n", + " PeriodicSite: Li (13.64, 16.91, 0.3751) [0.6713, 0.8323, 0.01847]\n", + " PeriodicSite: Li (7.759, 15.77, 15.88) [0.382, 0.7764, 0.7816]\n", + " PeriodicSite: Li (4.82, 8.216, 3.616) [0.2373, 0.4045, 0.178]\n", + " PeriodicSite: Li (0.6595, 8.27, 10.51) [0.03247, 0.4071, 0.5173]\n", + " PeriodicSite: Li (1.515, 18.1, 0.4028) [0.07457, 0.8912, 0.01983]\n", + " PeriodicSite: Li (2.93, 0.05496, 13.14) [0.1443, 0.002705, 0.6469]\n", + " PeriodicSite: Li (14.66, 9.752, 2.988) [0.7218, 0.4801, 0.1471]\n", + " PeriodicSite: Li (13.22, 6.598, 10.13) [0.6507, 0.3248, 0.4986]\n", + " PeriodicSite: Li (12.36, 19.85, 1.89) [0.6085, 0.9771, 0.09305]\n", + " PeriodicSite: Li (13.6, 17.22, 10.34) [0.6694, 0.8475, 0.5091]\n", + " PeriodicSite: Li (6.121, 4.796, 1.911) [0.3013, 0.2361, 0.09406]\n", + " PeriodicSite: Li (4.876, 8.125, 14.11) [0.2401, 0.4, 0.6946]\n", + " PeriodicSite: Li (3.292, 18.17, 4.399) [0.1621, 0.8945, 0.2166]\n", + " PeriodicSite: Li (2.181, 15.61, 13.03) [0.1074, 0.7685, 0.6416]\n", + " PeriodicSite: Li (13.08, 11.33, 5.333) [0.644, 0.558, 0.2625]\n", + " PeriodicSite: Li (13.88, 5.404, 12.01) [0.6836, 0.2661, 0.5913]\n", + " PeriodicSite: Li (15.43, 17.54, 2.176) [0.7596, 0.8636, 0.1071]\n", + " PeriodicSite: Li (14.7, 2.438, 15.76) [0.7237, 0.12, 0.7759]\n", + " PeriodicSite: Li (9.868, 3.151, 3.369) [0.4858, 0.1551, 0.1659]\n", + " PeriodicSite: Li (9.47, 3.069, 14.13) [0.4662, 0.1511, 0.6956]\n", + " PeriodicSite: Li (7.659, 10.46, 2.117) [0.3771, 0.5148, 0.1042]\n", + " PeriodicSite: Li (3.137, 10.4, 13.66) [0.1544, 0.5119, 0.6723]\n", + " PeriodicSite: Li (16.96, 1.525, 5.069) [0.8349, 0.07505, 0.2495]\n", + " PeriodicSite: Li (13.28, 3.08, 9.822) [0.6538, 0.1516, 0.4836]\n", + " PeriodicSite: Li (17.41, 10.79, 1.042) [0.8573, 0.5311, 0.05129]\n", + " PeriodicSite: Li (16.99, 10.2, 13.61) [0.8367, 0.5024, 0.6703]\n", + " PeriodicSite: Li (6.911, 18.26, 5.313) [0.3402, 0.899, 0.2616]\n", + " PeriodicSite: Li (6.707, 2.306, 14.6) [0.3302, 0.1135, 0.7189]\n", + " PeriodicSite: Li (6.923, 13.21, 0.1579) [0.3408, 0.6504, 0.007779]\n", + " PeriodicSite: Li (9.745, 12.93, 14.13) [0.4798, 0.6364, 0.6958]\n", + " PeriodicSite: Li (16.11, 0.7227, 2.787) [0.7933, 0.03557, 0.1372]\n", + " PeriodicSite: Li (20.06, 1.813, 11.81) [0.9876, 0.08926, 0.5813]\n", + " PeriodicSite: Li (18.4, 13.14, 5.155) [0.9059, 0.6468, 0.2538]\n", + " PeriodicSite: Li (16.26, 15.24, 12.55) [0.8006, 0.7504, 0.6177]\n", + " PeriodicSite: Li (8.081, 5.971, 6.29) [0.3978, 0.294, 0.3097]\n", + " PeriodicSite: Li (8.331, 20.25, 12.08) [0.4101, 0.9971, 0.5948]\n", + " PeriodicSite: Li (9.397, 13.63, 3.642) [0.4626, 0.6713, 0.1793]\n", + " PeriodicSite: Li (7.292, 13.09, 10.27) [0.359, 0.6442, 0.5056]\n", + " PeriodicSite: Li (20.29, 2.849, 2.875) [0.999, 0.1403, 0.1416]\n", + " PeriodicSite: Li (18.86, 3.507, 14.69) [0.9287, 0.1727, 0.7234]\n", + " PeriodicSite: Li (16.59, 14.59, 1.936) [0.817, 0.7181, 0.09532]\n", + " PeriodicSite: Li (15.21, 12.08, 13.21) [0.7488, 0.5949, 0.6505]\n", + " PeriodicSite: Li (2.824, 20.09, 2.936) [0.139, 0.989, 0.1445]\n", + " PeriodicSite: Li (5.861, 0.9195, 12.63) [0.2886, 0.04527, 0.6218]\n", + " PeriodicSite: Li (5.225, 13.24, 2.144) [0.2572, 0.6519, 0.1056]\n", + " PeriodicSite: Li (8.188, 7.254, 15.52) [0.4031, 0.3571, 0.7641]\n", + " PeriodicSite: Li (18.78, 4.854, 3.601) [0.9246, 0.239, 0.1773]\n", + " PeriodicSite: Li (16.73, 0.6737, 13.26) [0.8236, 0.03316, 0.6526]\n", + " PeriodicSite: Li (16.8, 13.36, 19.62) [0.8272, 0.6575, 0.9661]\n", + " PeriodicSite: Li (19.65, 12.09, 12.06) [0.9672, 0.5952, 0.5939]\n", + " PeriodicSite: Li (7.519, 2.79, 0.1251) [0.3702, 0.1373, 0.00616]\n", + " PeriodicSite: Li (5.945, 2.752, 10.59) [0.2927, 0.1355, 0.5214]\n", + " PeriodicSite: Li (9.375, 12.45, 0.8141) [0.4616, 0.6129, 0.04008]\n", + " PeriodicSite: Li (8.644, 10.29, 11.66) [0.4256, 0.5065, 0.5742]\n", + " PeriodicSite: Li (16.08, 3.844, 2.467) [0.7917, 0.1892, 0.1215]\n", + " PeriodicSite: Li (16.2, 3.283, 10.95) [0.7977, 0.1616, 0.539]\n", + " PeriodicSite: Li (1.218, 12.61, 19.49) [0.05998, 0.6206, 0.9595]\n", + " PeriodicSite: Li (19.14, 14.02, 13.62) [0.9421, 0.6903, 0.6705]\n", + " PeriodicSite: Li (8.119, 20.08, 2.225) [0.3997, 0.9886, 0.1096]\n", + " PeriodicSite: Li (9.746, 2.327, 10.3) [0.4798, 0.1146, 0.5072]\n", + " PeriodicSite: Li (6.536, 12.16, 4.682) [0.3218, 0.5989, 0.2305]\n", + " PeriodicSite: Li (5.21, 14.12, 12.36) [0.2565, 0.6951, 0.6083]\n", + " PeriodicSite: Li (17.6, 2.463, 0.5039) [0.8662, 0.1213, 0.02481]\n", + " PeriodicSite: Li (0.9902, 7.735, 14.43) [0.04875, 0.3808, 0.7105]\n", + " PeriodicSite: Li (2.85, 15.18, 8.448) [0.1403, 0.7472, 0.4159]\n", + " PeriodicSite: Li (16.88, 13.46, 10.66) [0.8309, 0.6627, 0.5248]\n", + " PeriodicSite: Li (13.47, 8.463, 5.273) [0.663, 0.4166, 0.2596]\n", + " PeriodicSite: Li (5.441, 8.398, 17.22) [0.2679, 0.4134, 0.8477]\n", + " PeriodicSite: Li (6.414, 16.79, 9.901) [0.3158, 0.8267, 0.4874]\n", + " PeriodicSite: Li (7.15, 15.67, 19.31) [0.352, 0.7714, 0.9504]\n", + " PeriodicSite: Li (16.04, 9.203, 7.315) [0.7898, 0.4531, 0.3601]\n", + " PeriodicSite: Li (3.183, 5.171, 18.43) [0.1567, 0.2546, 0.9073]\n", + " PeriodicSite: Li (16.54, 18.27, 5.535) [0.8141, 0.8993, 0.2725]\n", + " PeriodicSite: Li (19.71, 18.99, 18.72) [0.9703, 0.935, 0.9217]\n", + " PeriodicSite: Li (7.538, 9.314, 5.537) [0.3711, 0.4586, 0.2726]\n", + " PeriodicSite: Li (8.615, 5.121, 17.37) [0.4241, 0.2521, 0.8554]\n", + " PeriodicSite: Li (7.8, 20.22, 8.299) [0.384, 0.9952, 0.4086]\n", + " PeriodicSite: Li (6.776, 19.98, 15.79) [0.3336, 0.9838, 0.7775]\n", + " PeriodicSite: Li (18.2, 9.81, 9.042) [0.8959, 0.483, 0.4451]\n", + " PeriodicSite: Li (17.58, 6.734, 15.49) [0.8654, 0.3315, 0.7624]\n", + " PeriodicSite: Li (17.77, 19.9, 8.773) [0.8748, 0.9799, 0.4319]\n", + " PeriodicSite: Li (19.57, 15.63, 17.57) [0.9636, 0.7696, 0.8649]\n", + " PeriodicSite: Li (5.531, 5.625, 8.153) [0.2723, 0.2769, 0.4014]\n", + " PeriodicSite: Li (5.975, 5.787, 18.08) [0.2941, 0.2849, 0.89]\n", + " PeriodicSite: Li (8.977, 17.99, 9.261) [0.4419, 0.8854, 0.4559]\n", + " PeriodicSite: Li (12.12, 14.57, 15.52) [0.5968, 0.7172, 0.7641]\n", + " PeriodicSite: Li (20.21, 7.135, 7.529) [0.9948, 0.3513, 0.3707]\n", + " PeriodicSite: Li (19.62, 6.09, 17.66) [0.9661, 0.2998, 0.8696]\n", + " PeriodicSite: Li (16.31, 17.34, 10.1) [0.8032, 0.8538, 0.4973]\n", + " PeriodicSite: Li (16.96, 16.77, 19.71) [0.8351, 0.8254, 0.9705]\n", + " PeriodicSite: Li (9.309, 8.408, 9.378) [0.4583, 0.4139, 0.4617]\n", + " PeriodicSite: Li (6.978, 7.638, 20.01) [0.3435, 0.376, 0.985]\n", + " PeriodicSite: Li (4.539, 18.61, 7.123) [0.2235, 0.9161, 0.3507]\n", + " PeriodicSite: Li (6.942, 15.11, 2.114) [0.3417, 0.7437, 0.1041]\n", + " PeriodicSite: Li (15.19, 6.763, 8.15) [0.7481, 0.3329, 0.4012]\n", + " PeriodicSite: Li (19.77, 9.372, 18.28) [0.9735, 0.4614, 0.8999]\n", + " PeriodicSite: Li (15.08, 18.69, 7.493) [0.7423, 0.9203, 0.3689]\n", + " PeriodicSite: Li (15.27, 18.07, 17.21) [0.7517, 0.8895, 0.8475]\n", + " PeriodicSite: Li (6.956, 4.788, 11.78) [0.3425, 0.2357, 0.5798]\n", + " PeriodicSite: Li (7.57, 10.12, 17.43) [0.3727, 0.4981, 0.858]\n", + " PeriodicSite: Li (9.622, 17.77, 6.4) [0.4737, 0.875, 0.3151]\n", + " PeriodicSite: Li (10.36, 18.18, 2.209) [0.51, 0.8948, 0.1088]\n", + " PeriodicSite: Li (17.35, 8.883, 5.177) [0.8542, 0.4373, 0.2549]\n", + " PeriodicSite: Li (15.43, 4.134, 18.13) [0.7596, 0.2035, 0.8927]\n", + " PeriodicSite: Li (19.05, 16.25, 7.692) [0.9377, 0.8001, 0.3787]\n", + " PeriodicSite: Li (19.31, 0.1126, 2.111) [0.9508, 0.005532, 0.104]\n", + " PeriodicSite: Li (3.294, 10.51, 3.031) [0.1622, 0.5172, 0.1492]\n", + " PeriodicSite: Li (9.852, 8.407, 18.46) [0.485, 0.4139, 0.9089]\n", + " PeriodicSite: Li (8.093, 15.26, 6.998) [0.3984, 0.7514, 0.3445]\n", + " PeriodicSite: Li (7.76, 19.09, 19.5) [0.3821, 0.94, 0.96]\n", + " PeriodicSite: Li (17.7, 5.509, 6.968) [0.8714, 0.2712, 0.343]\n", + " PeriodicSite: Li (17.33, 12.2, 15.34) [0.853, 0.6004, 0.7554]\n", + " PeriodicSite: Li (19.18, 14.5, 2.796) [0.9441, 0.7138, 0.1376]\n", + " PeriodicSite: Li (13.5, 0.4439, 14.03) [0.6649, 0.02185, 0.6909]\n", + " PeriodicSite: Cl (7.414, 12.99, 12.82) [0.365, 0.6393, 0.631]\n", + " PeriodicSite: Cl (2.667, 12.22, 17.68) [0.1313, 0.6015, 0.8705]\n", + " PeriodicSite: Cl (12.32, 17.29, 12.92) [0.6066, 0.8514, 0.6359]\n", + " PeriodicSite: Cl (17.93, 7.581, 18.1) [0.8827, 0.3732, 0.8909]\n", + " PeriodicSite: Cl (7.523, 2.127, 2.259) [0.3704, 0.1047, 0.1112]\n", + " PeriodicSite: Cl (7.099, 7.463, 7.671) [0.3495, 0.3674, 0.3777]\n", + " PeriodicSite: Cl (12.86, 12.92, 7.64) [0.6333, 0.6362, 0.3761]\n", + " PeriodicSite: Cl (2.624, 8.223, 2.636) [0.1292, 0.4048, 0.1298]\n", + " PeriodicSite: Cl (2.803, 7.616, 12.91) [0.138, 0.375, 0.6357]\n", + " PeriodicSite: Cl (12.47, 12.74, 17.5) [0.6137, 0.6273, 0.8614]\n", + " PeriodicSite: Cl (17.59, 18.19, 17.79) [0.8659, 0.8956, 0.8757]\n", + " PeriodicSite: Cl (2.337, 2.489, 8.008) [0.115, 0.1225, 0.3942]\n", + " PeriodicSite: Cl (13.35, 2.711, 17.85) [0.6574, 0.1335, 0.8786]\n", + " PeriodicSite: Cl (12.8, 7.738, 2.821) [0.63, 0.381, 0.1389]\n", + " PeriodicSite: Cl (17.93, 2.883, 12.5) [0.8829, 0.1419, 0.6156]\n", + " PeriodicSite: Cl (7.665, 17.54, 17.83) [0.3774, 0.8637, 0.8776]\n", + " PeriodicSite: Cl (0.4632, 20.27, 20.07) [0.0228, 0.9979, 0.9882]\n", + " PeriodicSite: Cl (0.2134, 0.2732, 10.12) [0.01051, 0.01345, 0.4982]\n", + " PeriodicSite: Cl (20.27, 10.22, 20.29) [0.9978, 0.5033, 0.999]\n", + " PeriodicSite: Cl (0.366, 10.6, 10.16) [0.01802, 0.5221, 0.5001]\n", + " PeriodicSite: Cl (10.2, 19.56, 0.3169) [0.5023, 0.9629, 0.0156]\n", + " PeriodicSite: Cl (9.613, 0.07132, 10.17) [0.4732, 0.003508, 0.5007]\n", + " PeriodicSite: Cl (9.708, 10.27, 19.93) [0.478, 0.5058, 0.981]\n", + " PeriodicSite: Cl (10.58, 10.21, 10.05) [0.5206, 0.5025, 0.4949]\n", + " PeriodicSite: Cl (0.1889, 5.187, 4.984) [0.009298, 0.2553, 0.2454]\n", + " PeriodicSite: Cl (20.13, 5.597, 15.48) [0.9912, 0.2755, 0.7622]\n", + " PeriodicSite: Cl (19.98, 15.15, 5.085) [0.9838, 0.746, 0.2503]\n", + " PeriodicSite: Cl (20.25, 15.08, 15.17) [0.9968, 0.7425, 0.747]\n", + " PeriodicSite: Cl (10.19, 5.023, 5.247) [0.5017, 0.2473, 0.2583]\n", + " PeriodicSite: Cl (10.19, 4.975, 15.3) [0.5015, 0.2449, 0.7534]\n", + " PeriodicSite: Cl (9.927, 15.39, 4.986) [0.4887, 0.7578, 0.2455]\n", + " PeriodicSite: Cl (9.885, 15.15, 15.07) [0.4866, 0.746, 0.7417]\n", + " PeriodicSite: S (4.637, 20.24, 4.778) [0.2283, 0.9964, 0.2352]\n", + " PeriodicSite: S (4.7, 0.4079, 14.79) [0.2314, 0.02008, 0.7283]\n", + " PeriodicSite: S (5.235, 10.07, 4.794) [0.2577, 0.4956, 0.236]\n", + " PeriodicSite: S (4.923, 10.1, 15.41) [0.2424, 0.4974, 0.7587]\n", + " PeriodicSite: S (15.08, 20.17, 5.009) [0.7426, 0.9929, 0.2466]\n", + " PeriodicSite: S (15.18, 0.06727, 15.41) [0.7472, 0.003306, 0.7584]\n", + " PeriodicSite: S (15.14, 10.06, 5.184) [0.7456, 0.4952, 0.2552]\n", + " PeriodicSite: S (15.09, 10.36, 15.22) [0.7429, 0.5098, 0.7492]\n", + " PeriodicSite: S (5.124, 4.873, 20.02) [0.2523, 0.2399, 0.9856]\n", + " PeriodicSite: S (4.878, 4.709, 10.2) [0.2402, 0.2318, 0.5024]\n", + " PeriodicSite: S (5.524, 15.12, 0.3769) [0.272, 0.7444, 0.01856]\n", + " PeriodicSite: S (4.827, 15.0, 10.26) [0.2376, 0.7384, 0.5053]\n", + " PeriodicSite: S (15.54, 4.846, 0.2773) [0.7651, 0.2386, 0.01365]\n", + " PeriodicSite: S (15.08, 5.093, 9.734) [0.7423, 0.2507, 0.4792]\n", + " PeriodicSite: S (15.27, 15.21, 0.0404) [0.7515, 0.7488, 0.001994]\n", + " PeriodicSite: S (15.17, 15.08, 10.38) [0.7468, 0.7423, 0.5112]\n", + " PeriodicSite: S (8.858, 4.229, 8.669) [0.4361, 0.2082, 0.4268]\n", + " PeriodicSite: S (9.42, 3.468, 19.13) [0.4638, 0.1707, 0.9417]\n", + " PeriodicSite: S (9.001, 13.91, 8.814) [0.4431, 0.6848, 0.4339]\n", + " PeriodicSite: S (9.151, 13.95, 19.36) [0.4505, 0.6866, 0.9533]\n", + " PeriodicSite: S (19.15, 4.6, 8.958) [0.9426, 0.2264, 0.441]\n", + " PeriodicSite: S (18.97, 4.259, 19.17) [0.9339, 0.2096, 0.9438]\n", + " PeriodicSite: S (18.69, 14.24, 9.201) [0.92, 0.7008, 0.453]\n", + " PeriodicSite: S (19.28, 13.65, 18.99) [0.9491, 0.6721, 0.9351]\n", + " PeriodicSite: S (3.893, 1.159, 1.301) [0.1916, 0.05704, 0.06405]\n", + " PeriodicSite: S (3.926, 1.311, 11.44) [0.1933, 0.06456, 0.5632]\n", + " PeriodicSite: S (3.748, 11.52, 0.8478) [0.1845, 0.5669, 0.04174]\n", + " PeriodicSite: S (3.924, 11.33, 11.32) [0.1932, 0.558, 0.5574]\n", + " PeriodicSite: S (14.41, 0.9943, 1.067) [0.7094, 0.04895, 0.05255]\n", + " PeriodicSite: S (14.2, 1.686, 11.71) [0.6989, 0.08301, 0.5766]\n", + " PeriodicSite: S (13.72, 11.02, 0.8173) [0.6757, 0.5427, 0.04024]\n", + " PeriodicSite: S (13.9, 11.39, 11.19) [0.6842, 0.5607, 0.5511]\n", + " PeriodicSite: S (5.834, 1.338, 8.893) [0.2872, 0.06589, 0.4378]\n", + " PeriodicSite: S (6.352, 0.8112, 19.16) [0.3127, 0.03993, 0.943]\n", + " PeriodicSite: S (6.433, 11.13, 9.156) [0.3167, 0.5478, 0.4508]\n", + " PeriodicSite: S (6.17, 11.4, 19.0) [0.3038, 0.5615, 0.9356]\n", + " PeriodicSite: S (15.84, 1.125, 8.843) [0.7796, 0.05538, 0.4353]\n", + " PeriodicSite: S (16.62, 0.9195, 18.99) [0.8182, 0.04526, 0.9349]\n", + " PeriodicSite: S (16.4, 11.35, 8.842) [0.8074, 0.5588, 0.4353]\n", + " PeriodicSite: S (16.46, 11.14, 19.19) [0.8105, 0.5485, 0.9445]\n", + " PeriodicSite: S (1.181, 3.945, 0.9697) [0.05814, 0.1942, 0.04774]\n", + " PeriodicSite: S (1.086, 4.258, 11.6) [0.05346, 0.2096, 0.5712]\n", + " PeriodicSite: S (1.015, 14.0, 1.098) [0.04997, 0.6892, 0.05408]\n", + " PeriodicSite: S (1.02, 14.05, 11.38) [0.0502, 0.6917, 0.5604]\n", + " PeriodicSite: S (11.52, 3.73, 1.505) [0.5673, 0.1836, 0.0741]\n", + " PeriodicSite: S (11.09, 4.032, 11.06) [0.5457, 0.1985, 0.5446]\n", + " PeriodicSite: S (11.23, 13.83, 1.524) [0.5528, 0.681, 0.07505]\n", + " PeriodicSite: S (11.35, 14.29, 11.22) [0.559, 0.7035, 0.5521]\n", + " PeriodicSite: S (2.842, 2.58, 18.26) [0.1399, 0.127, 0.8987]\n", + " PeriodicSite: S (2.765, 12.8, 7.832) [0.1361, 0.6302, 0.3856]\n", + " PeriodicSite: S (12.6, 2.578, 7.731) [0.6204, 0.1269, 0.3806]\n", + " PeriodicSite: S (9.311, 9.164, 3.431) [0.4584, 0.4512, 0.1689]\n", + " PeriodicSite: S (9.047, 9.06, 13.66) [0.4454, 0.446, 0.6723]\n", + " PeriodicSite: S (9.095, 19.01, 4.231) [0.4478, 0.9359, 0.2083]\n", + " PeriodicSite: S (8.746, 18.55, 14.73) [0.4306, 0.9134, 0.7251]\n", + " PeriodicSite: S (19.72, 9.094, 4.267) [0.9706, 0.4477, 0.2101]\n", + " PeriodicSite: S (19.3, 9.067, 13.74) [0.9502, 0.4464, 0.6763]\n", + " PeriodicSite: S (18.96, 19.02, 4.165) [0.9333, 0.9366, 0.2051]\n", + " PeriodicSite: S (18.89, 19.57, 14.23) [0.9299, 0.9635, 0.7006]\n", + " PeriodicSite: S (3.957, 6.353, 6.004) [0.1948, 0.3128, 0.2956]\n", + " PeriodicSite: S (4.386, 6.303, 16.3) [0.2159, 0.3103, 0.8023]\n", + " PeriodicSite: S (3.589, 16.43, 6.313) [0.1767, 0.8089, 0.3108]\n", + " PeriodicSite: S (3.447, 16.48, 16.36) [0.1697, 0.8112, 0.8055]\n", + " PeriodicSite: S (14.11, 6.193, 6.16) [0.6946, 0.3049, 0.3032]\n", + " PeriodicSite: S (13.93, 5.943, 16.43) [0.6856, 0.2926, 0.8091]\n", + " PeriodicSite: S (14.17, 16.55, 6.098) [0.6977, 0.8147, 0.3002]\n", + " PeriodicSite: S (13.7, 16.42, 16.37) [0.6746, 0.8083, 0.806]\n", + " PeriodicSite: S (6.552, 6.212, 3.817) [0.3225, 0.3058, 0.1879]\n", + " PeriodicSite: S (6.5, 6.255, 14.01) [0.32, 0.3079, 0.6897]\n", + " PeriodicSite: S (5.847, 16.53, 3.863) [0.2879, 0.8137, 0.1902]\n", + " PeriodicSite: S (6.1, 16.11, 14.11) [0.3003, 0.7931, 0.6945]\n", + " PeriodicSite: S (16.27, 6.053, 3.754) [0.8012, 0.298, 0.1848]\n", + " PeriodicSite: S (16.03, 6.232, 13.5) [0.7892, 0.3068, 0.6645]\n", + " PeriodicSite: S (16.53, 16.05, 3.845) [0.8135, 0.7904, 0.1893]\n", + " PeriodicSite: S (16.47, 16.84, 14.46) [0.811, 0.8291, 0.7118]\n", + " PeriodicSite: S (1.646, 9.131, 6.661) [0.08101, 0.4495, 0.3279]\n", + " PeriodicSite: S (0.912, 9.033, 16.5) [0.0449, 0.4447, 0.8121]\n", + " PeriodicSite: S (1.337, 19.06, 6.067) [0.06584, 0.9382, 0.2987]\n", + " PeriodicSite: S (0.956, 19.57, 16.57) [0.04706, 0.9633, 0.816]\n", + " PeriodicSite: S (11.2, 9.37, 6.221) [0.5512, 0.4613, 0.3063]\n", + " PeriodicSite: S (11.21, 8.996, 16.1) [0.5519, 0.4429, 0.7928]\n", + " PeriodicSite: S (11.53, 19.11, 6.412) [0.5675, 0.9409, 0.3157]\n", + " PeriodicSite: S (11.21, 19.46, 16.85) [0.5518, 0.9581, 0.8293]\n", + " PeriodicSite: S (2.211, 17.8, 2.389) [0.1088, 0.8763, 0.1176]\n", + " PeriodicSite: S (2.235, 17.98, 12.7) [0.11, 0.8851, 0.6252]\n", + " PeriodicSite: S (12.7, 7.22, 12.45) [0.6253, 0.3554, 0.6131]\n", + " PeriodicSite: S (12.85, 17.65, 2.519) [0.6327, 0.869, 0.124]\n", + " PeriodicSite: S (4.198, 3.759, 3.754) [0.2067, 0.1851, 0.1848]\n", + " PeriodicSite: S (4.572, 3.573, 14.26) [0.2251, 0.1759, 0.7019]\n", + " PeriodicSite: S (3.806, 13.98, 4.081) [0.1874, 0.6881, 0.2009]\n", + " PeriodicSite: S (3.713, 13.87, 14.25) [0.1828, 0.6828, 0.7016]\n", + " PeriodicSite: S (13.88, 3.843, 3.908) [0.6833, 0.1892, 0.1924]\n", + " PeriodicSite: S (13.71, 3.708, 13.89) [0.6752, 0.1826, 0.684]\n", + " PeriodicSite: S (14.01, 14.01, 3.878) [0.6897, 0.6896, 0.1909]\n", + " PeriodicSite: S (14.18, 14.35, 14.11) [0.6979, 0.7064, 0.6946]\n", + " PeriodicSite: S (9.132, 1.155, 6.726) [0.4496, 0.05686, 0.3312]\n", + " PeriodicSite: S (8.627, 1.172, 16.13) [0.4247, 0.0577, 0.794]\n", + " PeriodicSite: S (9.009, 11.55, 5.75) [0.4435, 0.5685, 0.2831]\n", + " PeriodicSite: S (8.768, 11.37, 16.0) [0.4316, 0.5596, 0.7876]\n", + " PeriodicSite: S (19.3, 1.279, 6.256) [0.9499, 0.06294, 0.308]\n", + " PeriodicSite: S (19.05, 1.742, 16.51) [0.9377, 0.08575, 0.8127]\n", + " PeriodicSite: S (19.51, 11.66, 6.71) [0.9604, 0.5739, 0.3303]\n", + " PeriodicSite: S (18.95, 11.17, 16.55) [0.9327, 0.5499, 0.8147]\n", + " PeriodicSite: S (1.087, 1.017, 3.757) [0.0535, 0.05005, 0.185]\n", + " PeriodicSite: S (0.9702, 1.753, 14.05) [0.04777, 0.08628, 0.6917]\n", + " PeriodicSite: S (1.187, 11.81, 4.054) [0.05845, 0.5813, 0.1996]\n", + " PeriodicSite: S (1.058, 11.65, 14.09) [0.05208, 0.5737, 0.6939]\n", + " PeriodicSite: S (11.31, 1.283, 4.118) [0.5567, 0.06314, 0.2027]\n", + " PeriodicSite: S (10.99, 0.7977, 13.88) [0.5408, 0.03927, 0.6832]\n", + " PeriodicSite: S (11.41, 11.42, 3.508) [0.5617, 0.562, 0.1727]\n", + " PeriodicSite: S (11.19, 11.41, 13.62) [0.5508, 0.5618, 0.6704]\n", + " PeriodicSite: S (6.301, 4.053, 6.304) [0.3102, 0.1995, 0.3103]\n", + " PeriodicSite: S (6.741, 4.015, 16.5) [0.3319, 0.1976, 0.8124]\n", + " PeriodicSite: S (6.162, 14.14, 6.281) [0.3034, 0.6959, 0.3092]\n", + " PeriodicSite: S (5.9, 14.33, 16.89) [0.2905, 0.7052, 0.8314]\n", + " PeriodicSite: S (16.33, 3.707, 6.38) [0.8038, 0.1825, 0.3141]\n", + " PeriodicSite: S (16.64, 3.934, 15.92) [0.8193, 0.1937, 0.7838]\n", + " PeriodicSite: S (16.24, 13.91, 6.275) [0.7995, 0.6849, 0.3089]\n", + " PeriodicSite: S (16.01, 14.08, 16.59) [0.7883, 0.6934, 0.8169]\n", + " PeriodicSite: S (7.728, 2.323, 12.5) [0.3805, 0.1144, 0.6156]\n", + " PeriodicSite: S (7.535, 12.74, 2.457) [0.3709, 0.6271, 0.1209]\n", + " PeriodicSite: S (18.08, 2.311, 2.952) [0.8901, 0.1138, 0.1454]\n", + " PeriodicSite: S (17.69, 12.54, 2.632) [0.871, 0.6175, 0.1296]\n", + " PeriodicSite: S (17.48, 12.62, 12.74) [0.8608, 0.6211, 0.627]\n", + " PeriodicSite: S (3.99, 8.668, 9.278) [0.1964, 0.4267, 0.4568]\n", + " PeriodicSite: S (3.964, 9.073, 18.96) [0.1951, 0.4467, 0.9334]\n", + " PeriodicSite: S (3.328, 19.23, 9.23) [0.1639, 0.9467, 0.4544]\n", + " PeriodicSite: S (3.877, 18.93, 19.25) [0.1909, 0.9321, 0.9475]\n", + " PeriodicSite: S (14.02, 9.052, 9.021) [0.6904, 0.4456, 0.4441]\n", + " PeriodicSite: S (13.95, 8.856, 18.71) [0.6868, 0.436, 0.9212]\n", + " PeriodicSite: S (13.28, 19.54, 9.287) [0.6538, 0.9617, 0.4572]\n", + " PeriodicSite: S (14.14, 18.93, 19.25) [0.6963, 0.9321, 0.9478]\n", + " PeriodicSite: S (8.817, 5.538, 1.15) [0.4341, 0.2726, 0.05664]\n", + " PeriodicSite: S (8.914, 6.519, 11.18) [0.4389, 0.3209, 0.5503]\n", + " PeriodicSite: S (9.055, 16.42, 1.29) [0.4458, 0.8084, 0.0635]\n", + " PeriodicSite: S (8.59, 16.2, 11.16) [0.4229, 0.7975, 0.5496]\n", + " PeriodicSite: S (19.27, 6.514, 1.202) [0.9485, 0.3207, 0.0592]\n", + " PeriodicSite: S (19.32, 7.053, 11.32) [0.9509, 0.3472, 0.5572]\n", + " PeriodicSite: S (18.86, 16.32, 1.228) [0.9285, 0.8034, 0.06047]\n", + " PeriodicSite: S (18.97, 16.6, 11.6) [0.934, 0.8171, 0.5709]\n", + " PeriodicSite: S (1.441, 6.396, 9.118) [0.07092, 0.3149, 0.4489]\n", + " PeriodicSite: S (1.261, 6.427, 19.14) [0.06208, 0.3164, 0.9421]\n", + " PeriodicSite: S (0.8145, 16.58, 9.09) [0.04009, 0.8162, 0.4475]\n", + " PeriodicSite: S (0.9506, 16.4, 19.01) [0.0468, 0.8074, 0.9357]\n", + " PeriodicSite: S (11.28, 6.487, 8.964) [0.5554, 0.3194, 0.4413]\n", + " PeriodicSite: S (11.47, 6.06, 19.46) [0.5649, 0.2984, 0.9582]\n", + " PeriodicSite: S (11.2, 16.62, 8.844) [0.5515, 0.8182, 0.4354]\n", + " PeriodicSite: S (11.57, 16.09, 19.12) [0.5696, 0.792, 0.9411]\n", + " PeriodicSite: S (5.96, 9.011, 1.235) [0.2934, 0.4436, 0.06079]\n", + " PeriodicSite: S (6.311, 9.046, 11.6) [0.3107, 0.4453, 0.571]\n", + " PeriodicSite: S (6.32, 18.88, 1.18) [0.3112, 0.9294, 0.0581]\n", + " PeriodicSite: S (6.158, 18.99, 11.19) [0.3032, 0.9349, 0.551]\n", + " PeriodicSite: S (16.16, 8.785, 1.018) [0.7958, 0.4325, 0.05013]\n", + " PeriodicSite: S (16.49, 8.966, 11.23) [0.8117, 0.4414, 0.5529]\n", + " PeriodicSite: S (16.89, 19.0, 1.138) [0.8317, 0.9355, 0.05603]\n", + " PeriodicSite: S (15.76, 19.16, 11.53) [0.776, 0.9435, 0.5678]\n", + " PeriodicSite: S (7.668, 7.764, 17.78) [0.3775, 0.3822, 0.8754]\n", + " PeriodicSite: S (7.481, 17.8, 7.565) [0.3683, 0.8764, 0.3724]\n", + " PeriodicSite: S (17.75, 7.775, 7.595) [0.8739, 0.3828, 0.3739]\n", + " PeriodicSite: S (17.14, 17.69, 7.898) [0.844, 0.8709, 0.3889]\n", + " PeriodicSite: P (5.139, 20.17, 0.06242) [0.253, 0.9929, 0.003076]\n", + " PeriodicSite: P (4.855, 0.02544, 10.13) [0.239, 0.001251, 0.4986]\n", + " PeriodicSite: P (4.987, 10.23, 20.26) [0.2455, 0.5038, 0.9972]\n", + " PeriodicSite: P (5.146, 10.11, 10.24) [0.2533, 0.4976, 0.5041]\n", + " PeriodicSite: P (15.58, 20.11, 20.24) [0.7669, 0.9902, 0.9966]\n", + " PeriodicSite: P (14.75, 0.165, 10.35) [0.7264, 0.008119, 0.5095]\n", + " PeriodicSite: P (15.0, 9.928, 20.13) [0.7383, 0.4888, 0.991]\n", + " PeriodicSite: P (15.27, 10.18, 10.16) [0.7519, 0.5012, 0.5]\n", + " PeriodicSite: P (5.226, 5.036, 4.952) [0.2573, 0.2479, 0.2438]\n", + " PeriodicSite: P (5.543, 4.933, 15.19) [0.2729, 0.2428, 0.7479]\n", + " PeriodicSite: P (4.907, 15.28, 5.19) [0.2416, 0.7524, 0.2555]\n", + " PeriodicSite: P (4.803, 15.23, 15.44) [0.2365, 0.7496, 0.7604]\n", + " PeriodicSite: P (15.21, 4.853, 4.99) [0.749, 0.2389, 0.2457]\n", + " PeriodicSite: P (15.0, 4.947, 14.95) [0.7384, 0.2435, 0.7359]\n", + " PeriodicSite: P (15.25, 15.12, 5.062) [0.7506, 0.7442, 0.2492]\n", + " PeriodicSite: P (15.22, 15.52, 15.41) [0.7493, 0.764, 0.7586]\n", + " PeriodicSite: P (20.29, 20.2, 5.144) [0.9987, 0.9943, 0.2533]\n", + " PeriodicSite: P (20.2, 0.3951, 15.39) [0.9947, 0.01945, 0.7575]\n", + " PeriodicSite: P (0.3912, 10.44, 5.489) [0.01926, 0.5141, 0.2702]\n", + " PeriodicSite: P (20.18, 10.3, 15.12) [0.9936, 0.5072, 0.7446]\n", + " PeriodicSite: P (10.26, 0.08001, 5.422) [0.5051, 0.003935, 0.2669]\n", + " PeriodicSite: P (9.933, 20.1, 15.39) [0.489, 0.9896, 0.7576]\n", + " PeriodicSite: P (10.24, 10.42, 4.773) [0.5039, 0.5128, 0.235]\n", + " PeriodicSite: P (10.05, 10.19, 14.86) [0.4949, 0.5016, 0.7317]\n", + " PeriodicSite: P (0.08151, 5.264, 0.02366) [0.00401, 0.2591, 0.001165]\n", + " PeriodicSite: P (0.08718, 5.475, 10.33) [0.004292, 0.2696, 0.5086]\n", + " PeriodicSite: P (20.07, 15.13, 20.22) [0.9883, 0.7449, 0.9955]\n", + " PeriodicSite: P (20.05, 15.39, 10.32) [0.9873, 0.7576, 0.508]\n", + " PeriodicSite: P (10.41, 4.637, 0.1523) [0.5126, 0.2283, 0.0075]\n", + " PeriodicSite: P (10.01, 5.299, 9.897) [0.4927, 0.2609, 0.4873]\n", + " PeriodicSite: P (10.3, 15.27, 0.1874) [0.5069, 0.7516, 0.009229]\n", + " PeriodicSite: P (10.17, 15.22, 10.05) [0.5004, 0.7493, 0.495],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.571, 3.826, 5.266) [0.1266, 0.1884, 0.2593]\n", + " PeriodicSite: Li (0.1998, 3.054, 17.42) [0.009842, 0.1504, 0.8574]\n", + " PeriodicSite: Li (2.678, 13.1, 10.28) [0.1318, 0.6451, 0.5061]\n", + " PeriodicSite: Li (1.585, 13.81, 15.66) [0.07805, 0.6798, 0.7709]\n", + " PeriodicSite: Li (14.36, 0.9512, 7.656) [0.7068, 0.04682, 0.3769]\n", + " PeriodicSite: Li (12.28, 4.789, 16.51) [0.6044, 0.2357, 0.8126]\n", + " PeriodicSite: Li (16.1, 12.21, 4.06) [0.7926, 0.6013, 0.1999]\n", + " PeriodicSite: Li (16.32, 9.354, 16.74) [0.8036, 0.4605, 0.8242]\n", + " PeriodicSite: Li (3.062, 4.577, 9.26) [0.1507, 0.2253, 0.4559]\n", + " PeriodicSite: Li (3.614, 0.1974, 17.06) [0.1779, 0.009718, 0.84]\n", + " PeriodicSite: Li (4.83, 8.698, 7.222) [0.2378, 0.4282, 0.3555]\n", + " PeriodicSite: Li (6.673, 10.64, 13.66) [0.3285, 0.5237, 0.6725]\n", + " PeriodicSite: Li (11.81, 5.206, 6.619) [0.5816, 0.2563, 0.3259]\n", + " PeriodicSite: Li (14.09, 6.774, 19.93) [0.6934, 0.3335, 0.9812]\n", + " PeriodicSite: Li (11.72, 9.597, 11.5) [0.5771, 0.4725, 0.566]\n", + " PeriodicSite: Li (10.11, 17.6, 17.85) [0.4977, 0.8665, 0.8788]\n", + " PeriodicSite: Li (3.029, 0.5638, 6.298) [0.1491, 0.02775, 0.3101]\n", + " PeriodicSite: Li (3.024, 2.142, 15.34) [0.1489, 0.1055, 0.755]\n", + " PeriodicSite: Li (3.359, 11.68, 5.964) [0.1654, 0.5748, 0.2936]\n", + " PeriodicSite: Li (4.962, 12.04, 16.72) [0.2443, 0.5926, 0.823]\n", + " PeriodicSite: Li (11.48, 0.3847, 8.51) [0.5653, 0.01894, 0.419]\n", + " PeriodicSite: Li (9.647, 1.245, 18.36) [0.475, 0.06128, 0.9041]\n", + " PeriodicSite: Li (13.65, 13.36, 9.702) [0.6722, 0.6579, 0.4777]\n", + " PeriodicSite: Li (10.41, 12.56, 17.59) [0.5124, 0.6184, 0.8662]\n", + " PeriodicSite: Li (0.05061, 2.817, 7.656) [0.002493, 0.1387, 0.3769]\n", + " PeriodicSite: Li (2.75, 3.269, 0.06725) [0.1354, 0.1609, 0.003312]\n", + " PeriodicSite: Li (20.22, 12.95, 7.712) [0.9954, 0.6376, 0.3797]\n", + " PeriodicSite: Li (3.969, 12.88, 19.29) [0.1954, 0.6343, 0.9496]\n", + " PeriodicSite: Li (13.26, 2.312, 5.249) [0.6529, 0.1138, 0.2584]\n", + " PeriodicSite: Li (13.14, 0.2881, 17.32) [0.6467, 0.01418, 0.8528]\n", + " PeriodicSite: Li (10.96, 11.01, 7.87) [0.5396, 0.5423, 0.3875]\n", + " PeriodicSite: Li (14.18, 14.93, 18.17) [0.698, 0.7348, 0.8947]\n", + " PeriodicSite: Li (6.251, 1.453, 5.982) [0.3078, 0.07154, 0.2945]\n", + " PeriodicSite: Li (2.04, 0.6406, 19.05) [0.1004, 0.03154, 0.938]\n", + " PeriodicSite: Li (4.694, 13.24, 8.406) [0.2311, 0.652, 0.4138]\n", + " PeriodicSite: Li (0.5383, 17.97, 14.38) [0.02649, 0.8849, 0.7079]\n", + " PeriodicSite: Li (14.98, 3.441, 7.904) [0.7376, 0.1694, 0.3891]\n", + " PeriodicSite: Li (13.52, 3.186, 20.28) [0.6656, 0.1568, 0.9983]\n", + " PeriodicSite: Li (16.15, 15.59, 8.123) [0.795, 0.7675, 0.3999]\n", + " PeriodicSite: Li (13.98, 13.3, 1.135) [0.688, 0.655, 0.05589]\n", + " PeriodicSite: Li (5.443, 1.415, 3.379) [0.268, 0.06967, 0.1663]\n", + " PeriodicSite: Li (4.937, 3.109, 18.56) [0.2431, 0.153, 0.9138]\n", + " PeriodicSite: Li (1.935, 14.21, 6.061) [0.09527, 0.6997, 0.2984]\n", + " PeriodicSite: Li (20.1, 11.56, 2.612) [0.9893, 0.569, 0.1286]\n", + " PeriodicSite: Li (10.15, 2.838, 7.215) [0.4995, 0.1397, 0.3552]\n", + " PeriodicSite: Li (16.93, 0.4454, 16.68) [0.8333, 0.02192, 0.8212]\n", + " PeriodicSite: Li (15.37, 12.09, 6.706) [0.7569, 0.5952, 0.3301]\n", + " PeriodicSite: Li (14.77, 12.47, 16.05) [0.7272, 0.614, 0.79]\n", + " PeriodicSite: Li (2.987, 10.11, 17.29) [0.147, 0.4979, 0.8514]\n", + " PeriodicSite: Li (1.845, 10.57, 8.694) [0.09081, 0.5204, 0.428]\n", + " PeriodicSite: Li (3.867, 16.0, 18.5) [0.1904, 0.7875, 0.911]\n", + " PeriodicSite: Li (1.833, 1.186, 9.596) [0.09025, 0.0584, 0.4724]\n", + " PeriodicSite: Li (14.89, 6.34, 2.173) [0.7333, 0.3121, 0.107]\n", + " PeriodicSite: Li (13.41, 10.08, 16.27) [0.6602, 0.4962, 0.801]\n", + " PeriodicSite: Li (11.84, 14.77, 7.27) [0.5827, 0.7269, 0.3579]\n", + " PeriodicSite: Li (14.58, 18.0, 13.99) [0.7178, 0.8863, 0.6885]\n", + " PeriodicSite: Li (4.384, 7.369, 0.9963) [0.2158, 0.3628, 0.04905]\n", + " PeriodicSite: Li (3.123, 5.215, 12.21) [0.1537, 0.2567, 0.6013]\n", + " PeriodicSite: Li (4.569, 17.05, 1.525) [0.2249, 0.8391, 0.07507]\n", + " PeriodicSite: Li (3.908, 18.16, 14.3) [0.1924, 0.8941, 0.7038]\n", + " PeriodicSite: Li (17.26, 6.64, 0.08944) [0.8498, 0.3269, 0.004409]\n", + " PeriodicSite: Li (10.5, 6.24, 13.02) [0.5171, 0.3072, 0.6408]\n", + " PeriodicSite: Li (13.46, 18.75, 5.094) [0.6626, 0.9229, 0.2508]\n", + " PeriodicSite: Li (10.35, 16.94, 13.15) [0.5095, 0.8341, 0.6476]\n", + " PeriodicSite: Li (0.8561, 8.171, 1.437) [0.04214, 0.4023, 0.07074]\n", + " PeriodicSite: Li (5.163, 7.46, 11.03) [0.2542, 0.3673, 0.5429]\n", + " PeriodicSite: Li (2.326, 15.36, 2.583) [0.1145, 0.756, 0.1272]\n", + " PeriodicSite: Li (3.942, 17.31, 11.05) [0.1941, 0.8521, 0.5439]\n", + " PeriodicSite: Li (11.18, 9.324, 2.017) [0.5504, 0.459, 0.0993]\n", + " PeriodicSite: Li (12.36, 7.261, 14.81) [0.6087, 0.3575, 0.7291]\n", + " PeriodicSite: Li (12.57, 15.54, 3.212) [0.6187, 0.7648, 0.1582]\n", + " PeriodicSite: Li (13.16, 15.12, 12.08) [0.6477, 0.7445, 0.5949]\n", + " PeriodicSite: Li (1.119, 7.09, 4.157) [0.05511, 0.3491, 0.2047]\n", + " PeriodicSite: Li (17.21, 6.504, 10.4) [0.8472, 0.3202, 0.5118]\n", + " PeriodicSite: Li (0.5878, 17.54, 4.442) [0.02893, 0.8633, 0.2187]\n", + " PeriodicSite: Li (1.065, 18.44, 10.46) [0.05244, 0.9079, 0.515]\n", + " PeriodicSite: Li (10.45, 6.402, 3.09) [0.5142, 0.3152, 0.1521]\n", + " PeriodicSite: Li (14.75, 8.336, 13.14) [0.726, 0.4104, 0.6471]\n", + " PeriodicSite: Li (13.67, 16.94, 0.2448) [0.6731, 0.8338, 0.01206]\n", + " PeriodicSite: Li (7.801, 16.02, 15.78) [0.3841, 0.7887, 0.777]\n", + " PeriodicSite: Li (4.905, 7.945, 4.213) [0.2415, 0.3912, 0.2074]\n", + " PeriodicSite: Li (2.05, 8.22, 10.94) [0.1009, 0.4047, 0.5386]\n", + " PeriodicSite: Li (1.2, 17.9, 1.049) [0.05906, 0.881, 0.05165]\n", + " PeriodicSite: Li (2.599, 0.03668, 13.44) [0.128, 0.001805, 0.6616]\n", + " PeriodicSite: Li (14.48, 9.761, 2.772) [0.7126, 0.4805, 0.1365]\n", + " PeriodicSite: Li (13.14, 6.74, 10.2) [0.6467, 0.3318, 0.5022]\n", + " PeriodicSite: Li (12.89, 19.48, 1.025) [0.6347, 0.9593, 0.05047]\n", + " PeriodicSite: Li (12.92, 17.36, 10.22) [0.6359, 0.8549, 0.5032]\n", + " PeriodicSite: Li (6.064, 5.028, 2.209) [0.2985, 0.2476, 0.1087]\n", + " PeriodicSite: Li (5.163, 7.731, 13.97) [0.2542, 0.3806, 0.6876]\n", + " PeriodicSite: Li (3.048, 18.15, 5.038) [0.1501, 0.8935, 0.248]\n", + " PeriodicSite: Li (1.748, 15.68, 13.3) [0.08604, 0.7719, 0.6546]\n", + " PeriodicSite: Li (13.14, 11.17, 5.313) [0.6467, 0.5499, 0.2616]\n", + " PeriodicSite: Li (14.12, 5.158, 12.14) [0.695, 0.2539, 0.5977]\n", + " PeriodicSite: Li (15.35, 16.69, 1.96) [0.7557, 0.8217, 0.09651]\n", + " PeriodicSite: Li (14.6, 2.374, 16.02) [0.7186, 0.1168, 0.7886]\n", + " PeriodicSite: Li (9.617, 3.128, 3.1) [0.4735, 0.154, 0.1526]\n", + " PeriodicSite: Li (9.335, 2.946, 13.5) [0.4596, 0.145, 0.6648]\n", + " PeriodicSite: Li (7.977, 10.48, 2.152) [0.3927, 0.5159, 0.106]\n", + " PeriodicSite: Li (3.113, 10.1, 13.8) [0.1533, 0.4972, 0.6794]\n", + " PeriodicSite: Li (16.83, 1.873, 4.856) [0.8286, 0.09218, 0.2391]\n", + " PeriodicSite: Li (13.11, 3.507, 9.627) [0.6456, 0.1727, 0.474]\n", + " PeriodicSite: Li (17.51, 11.09, 0.7946) [0.8619, 0.5461, 0.03913]\n", + " PeriodicSite: Li (17.33, 10.35, 13.34) [0.8533, 0.5094, 0.6568]\n", + " PeriodicSite: Li (6.846, 18.82, 5.03) [0.337, 0.9267, 0.2476]\n", + " PeriodicSite: Li (6.268, 1.852, 14.78) [0.3086, 0.09119, 0.7278]\n", + " PeriodicSite: Li (6.926, 13.12, 0.07022) [0.341, 0.6459, 0.00346]\n", + " PeriodicSite: Li (9.376, 12.95, 14.52) [0.4616, 0.6375, 0.7149]\n", + " PeriodicSite: Li (15.23, 19.64, 3.547) [0.7499, 0.967, 0.1746]\n", + " PeriodicSite: Li (19.68, 2.234, 12.13) [0.9691, 0.11, 0.5972]\n", + " PeriodicSite: Li (18.83, 13.15, 5.023) [0.9271, 0.6475, 0.2473]\n", + " PeriodicSite: Li (15.79, 15.11, 12.57) [0.7775, 0.7439, 0.6186]\n", + " PeriodicSite: Li (8.588, 5.386, 6.42) [0.4228, 0.2651, 0.3161]\n", + " PeriodicSite: Li (8.776, 0.1353, 12.31) [0.4321, 0.006657, 0.6063]\n", + " PeriodicSite: Li (9.403, 14.25, 3.18) [0.4629, 0.7013, 0.1566]\n", + " PeriodicSite: Li (7.112, 12.9, 10.02) [0.3501, 0.6349, 0.4935]\n", + " PeriodicSite: Li (0.06138, 2.6, 2.655) [0.003021, 0.128, 0.1307]\n", + " PeriodicSite: Li (18.41, 3.763, 14.53) [0.9064, 0.1853, 0.7151]\n", + " PeriodicSite: Li (16.9, 14.56, 1.647) [0.832, 0.7169, 0.08108]\n", + " PeriodicSite: Li (15.23, 11.93, 12.97) [0.7498, 0.5872, 0.6385]\n", + " PeriodicSite: Li (3.121, 19.92, 2.622) [0.1537, 0.9809, 0.1291]\n", + " PeriodicSite: Li (5.551, 0.324, 12.89) [0.2733, 0.01595, 0.6345]\n", + " PeriodicSite: Li (4.881, 13.23, 2.212) [0.2403, 0.6514, 0.1089]\n", + " PeriodicSite: Li (8.365, 7.273, 15.34) [0.4118, 0.358, 0.7551]\n", + " PeriodicSite: Li (18.28, 4.462, 3.569) [0.9002, 0.2197, 0.1757]\n", + " PeriodicSite: Li (16.13, 0.5657, 13.34) [0.7941, 0.02785, 0.6566]\n", + " PeriodicSite: Li (16.76, 13.62, 19.09) [0.8249, 0.6704, 0.9399]\n", + " PeriodicSite: Li (19.63, 11.72, 12.4) [0.9666, 0.5769, 0.6103]\n", + " PeriodicSite: Li (7.541, 3.729, 20.29) [0.3713, 0.1836, 0.9991]\n", + " PeriodicSite: Li (5.537, 2.934, 10.67) [0.2726, 0.1445, 0.5255]\n", + " PeriodicSite: Li (10.13, 12.22, 1.322) [0.4985, 0.6014, 0.0651]\n", + " PeriodicSite: Li (8.75, 10.69, 11.9) [0.4307, 0.5262, 0.586]\n", + " PeriodicSite: Li (15.56, 3.265, 2.077) [0.7659, 0.1607, 0.1022]\n", + " PeriodicSite: Li (16.83, 3.608, 10.68) [0.8283, 0.1776, 0.5259]\n", + " PeriodicSite: Li (0.2211, 11.99, 19.9) [0.01088, 0.5902, 0.9795]\n", + " PeriodicSite: Li (19.24, 14.54, 13.25) [0.9472, 0.7157, 0.6524]\n", + " PeriodicSite: Li (8.973, 0.4014, 1.985) [0.4417, 0.01976, 0.09773]\n", + " PeriodicSite: Li (8.909, 2.449, 10.59) [0.4386, 0.1206, 0.5213]\n", + " PeriodicSite: Li (6.392, 12.21, 4.506) [0.3147, 0.6012, 0.2218]\n", + " PeriodicSite: Li (5.676, 14.71, 12.54) [0.2794, 0.7241, 0.6173]\n", + " PeriodicSite: Li (17.15, 3.222, 0.1111) [0.8441, 0.1586, 0.005474]\n", + " PeriodicSite: Li (0.9825, 7.028, 14.6) [0.04837, 0.346, 0.7186]\n", + " PeriodicSite: Li (2.733, 15.5, 8.536) [0.1346, 0.7633, 0.4202]\n", + " PeriodicSite: Li (16.91, 13.38, 10.58) [0.8327, 0.6588, 0.5207]\n", + " PeriodicSite: Li (13.39, 8.319, 5.099) [0.6594, 0.4096, 0.251]\n", + " PeriodicSite: Li (5.287, 8.114, 17.05) [0.2603, 0.3995, 0.8395]\n", + " PeriodicSite: Li (6.648, 16.21, 9.113) [0.3273, 0.798, 0.4487]\n", + " PeriodicSite: Li (6.852, 15.62, 18.82) [0.3373, 0.7688, 0.9265]\n", + " PeriodicSite: Li (16.42, 9.527, 7.564) [0.8082, 0.469, 0.3724]\n", + " PeriodicSite: Li (3.178, 5.562, 18.61) [0.1565, 0.2738, 0.9161]\n", + " PeriodicSite: Li (17.17, 18.68, 5.858) [0.8452, 0.9194, 0.2884]\n", + " PeriodicSite: Li (19.69, 19.56, 18.13) [0.9692, 0.9627, 0.8924]\n", + " PeriodicSite: Li (7.579, 9.134, 5.562) [0.3731, 0.4497, 0.2738]\n", + " PeriodicSite: Li (8.466, 5.319, 17.23) [0.4168, 0.2619, 0.8484]\n", + " PeriodicSite: Li (8.108, 20.21, 7.871) [0.3992, 0.9948, 0.3875]\n", + " PeriodicSite: Li (6.796, 18.96, 15.3) [0.3346, 0.9336, 0.7531]\n", + " PeriodicSite: Li (18.48, 9.141, 9.856) [0.9098, 0.45, 0.4852]\n", + " PeriodicSite: Li (17.81, 6.96, 15.01) [0.8767, 0.3427, 0.7389]\n", + " PeriodicSite: Li (18.41, 20.01, 8.464) [0.9066, 0.9852, 0.4167]\n", + " PeriodicSite: Li (19.29, 16.05, 17.33) [0.9498, 0.7903, 0.853]\n", + " PeriodicSite: Li (6.961, 5.383, 9.017) [0.3427, 0.265, 0.4439]\n", + " PeriodicSite: Li (5.916, 5.715, 17.74) [0.2912, 0.2813, 0.8733]\n", + " PeriodicSite: Li (9.053, 18.04, 9.433) [0.4457, 0.8882, 0.4644]\n", + " PeriodicSite: Li (12.13, 14.94, 15.43) [0.5971, 0.7357, 0.7597]\n", + " PeriodicSite: Li (20.12, 7.824, 7.318) [0.9905, 0.3852, 0.3603]\n", + " PeriodicSite: Li (19.6, 5.941, 17.77) [0.9651, 0.2925, 0.8747]\n", + " PeriodicSite: Li (16.52, 17.14, 10.46) [0.8135, 0.8439, 0.5151]\n", + " PeriodicSite: Li (16.75, 17.05, 19.85) [0.8246, 0.8392, 0.9774]\n", + " PeriodicSite: Li (8.743, 8.337, 9.246) [0.4304, 0.4104, 0.4552]\n", + " PeriodicSite: Li (7.338, 7.103, 20.21) [0.3613, 0.3497, 0.995]\n", + " PeriodicSite: Li (5.301, 18.76, 7.435) [0.261, 0.9235, 0.366]\n", + " PeriodicSite: Li (6.911, 15.13, 1.934) [0.3402, 0.7447, 0.09523]\n", + " PeriodicSite: Li (15.56, 6.614, 8.035) [0.7659, 0.3256, 0.3956]\n", + " PeriodicSite: Li (18.91, 9.325, 18.16) [0.9308, 0.4591, 0.8939]\n", + " PeriodicSite: Li (15.04, 18.63, 7.51) [0.7403, 0.9171, 0.3697]\n", + " PeriodicSite: Li (15.45, 17.94, 16.99) [0.7608, 0.8834, 0.8366]\n", + " PeriodicSite: Li (6.841, 4.734, 12.04) [0.3368, 0.233, 0.5926]\n", + " PeriodicSite: Li (7.082, 10.25, 16.83) [0.3486, 0.5045, 0.8283]\n", + " PeriodicSite: Li (9.707, 17.67, 6.045) [0.4779, 0.8699, 0.2976]\n", + " PeriodicSite: Li (10.53, 17.89, 1.798) [0.5186, 0.8805, 0.08851]\n", + " PeriodicSite: Li (17.21, 8.642, 5.032) [0.8475, 0.4255, 0.2478]\n", + " PeriodicSite: Li (15.16, 4.879, 18.01) [0.7464, 0.2402, 0.8866]\n", + " PeriodicSite: Li (19.2, 16.67, 7.646) [0.9453, 0.8207, 0.3764]\n", + " PeriodicSite: Li (18.1, 0.3063, 1.734) [0.8911, 0.01507, 0.08539]\n", + " PeriodicSite: Li (3.608, 10.39, 3.232) [0.1776, 0.5115, 0.1591]\n", + " PeriodicSite: Li (9.709, 8.11, 18.11) [0.478, 0.3993, 0.8915]\n", + " PeriodicSite: Li (7.985, 15.36, 6.577) [0.3931, 0.7564, 0.3238]\n", + " PeriodicSite: Li (7.864, 18.96, 19.65) [0.3872, 0.9333, 0.9676]\n", + " PeriodicSite: Li (18.23, 5.505, 7.01) [0.8974, 0.271, 0.3451]\n", + " PeriodicSite: Li (17.54, 12.48, 15.23) [0.8637, 0.6143, 0.7497]\n", + " PeriodicSite: Li (19.25, 14.67, 2.974) [0.9477, 0.722, 0.1464]\n", + " PeriodicSite: Li (13.47, 0.8212, 13.93) [0.6632, 0.04042, 0.6858]\n", + " PeriodicSite: Cl (7.491, 12.61, 12.53) [0.3688, 0.621, 0.6167]\n", + " PeriodicSite: Cl (2.576, 12.45, 17.57) [0.1268, 0.613, 0.8652]\n", + " PeriodicSite: Cl (12.57, 17.57, 12.68) [0.6188, 0.8651, 0.6241]\n", + " PeriodicSite: Cl (17.79, 7.583, 17.28) [0.876, 0.3733, 0.8507]\n", + " PeriodicSite: Cl (7.823, 2.254, 2.466) [0.3851, 0.111, 0.1214]\n", + " PeriodicSite: Cl (7.918, 7.526, 7.2) [0.3898, 0.3705, 0.3545]\n", + " PeriodicSite: Cl (12.73, 12.54, 7.363) [0.6269, 0.6174, 0.3625]\n", + " PeriodicSite: Cl (2.825, 8.019, 2.686) [0.1391, 0.3948, 0.1322]\n", + " PeriodicSite: Cl (3.038, 7.718, 12.92) [0.1496, 0.38, 0.6363]\n", + " PeriodicSite: Cl (12.95, 12.46, 17.17) [0.6376, 0.6132, 0.8452]\n", + " PeriodicSite: Cl (17.77, 17.86, 17.76) [0.875, 0.8794, 0.8743]\n", + " PeriodicSite: Cl (2.3, 2.475, 7.598) [0.1132, 0.1218, 0.3741]\n", + " PeriodicSite: Cl (13.39, 2.679, 18.02) [0.659, 0.1319, 0.8871]\n", + " PeriodicSite: Cl (12.97, 7.55, 2.593) [0.6385, 0.3717, 0.1276]\n", + " PeriodicSite: Cl (17.44, 2.818, 12.7) [0.8585, 0.1387, 0.6253]\n", + " PeriodicSite: Cl (7.775, 17.42, 17.89) [0.3828, 0.8574, 0.8808]\n", + " PeriodicSite: Cl (0.03504, 20.12, 19.99) [0.001721, 0.9903, 0.9841]\n", + " PeriodicSite: Cl (19.83, 0.4918, 10.28) [0.976, 0.0242, 0.5059]\n", + " PeriodicSite: Cl (19.64, 10.01, 0.5907) [0.967, 0.4928, 0.02909]\n", + " PeriodicSite: Cl (0.09963, 10.32, 10.41) [0.004903, 0.5079, 0.5126]\n", + " PeriodicSite: Cl (10.58, 19.94, 0.3894) [0.521, 0.9819, 0.01918]\n", + " PeriodicSite: Cl (9.63, 0.002899, 9.837) [0.4741, 0.0001391, 0.4843]\n", + " PeriodicSite: Cl (9.691, 9.797, 0.4907) [0.4771, 0.4823, 0.02416]\n", + " PeriodicSite: Cl (10.02, 10.08, 9.893) [0.4934, 0.4963, 0.487]\n", + " PeriodicSite: Cl (0.2246, 5.216, 5.411) [0.01106, 0.2568, 0.2664]\n", + " PeriodicSite: Cl (19.8, 5.397, 15.53) [0.9747, 0.2657, 0.7645]\n", + " PeriodicSite: Cl (20.28, 15.23, 4.954) [0.9985, 0.7497, 0.2439]\n", + " PeriodicSite: Cl (0.1799, 15.52, 14.91) [0.008856, 0.7641, 0.7338]\n", + " PeriodicSite: Cl (10.2, 4.69, 5.054) [0.5024, 0.2309, 0.2488]\n", + " PeriodicSite: Cl (10.32, 5.184, 15.26) [0.5083, 0.2552, 0.7512]\n", + " PeriodicSite: Cl (10.21, 15.39, 5.408) [0.5025, 0.7574, 0.2662]\n", + " PeriodicSite: Cl (9.931, 15.3, 15.57) [0.4889, 0.7532, 0.7667]\n", + " PeriodicSite: S (4.879, 20.03, 5.108) [0.2402, 0.9863, 0.2515]\n", + " PeriodicSite: S (4.899, 20.15, 14.99) [0.2412, 0.992, 0.7381]\n", + " PeriodicSite: S (5.064, 10.22, 5.192) [0.2493, 0.503, 0.2556]\n", + " PeriodicSite: S (5.17, 9.86, 15.4) [0.2545, 0.4854, 0.7583]\n", + " PeriodicSite: S (15.29, 0.007888, 5.776) [0.7526, 0.0003818, 0.2844]\n", + " PeriodicSite: S (14.68, 20.01, 15.48) [0.7225, 0.9853, 0.7622]\n", + " PeriodicSite: S (15.25, 10.28, 5.076) [0.7506, 0.5061, 0.2499]\n", + " PeriodicSite: S (15.43, 10.51, 14.91) [0.7596, 0.5175, 0.7339]\n", + " PeriodicSite: S (5.496, 5.16, 20.17) [0.2706, 0.254, 0.9932]\n", + " PeriodicSite: S (5.235, 5.139, 10.65) [0.2577, 0.253, 0.5244]\n", + " PeriodicSite: S (5.115, 15.05, 0.1938) [0.2518, 0.7408, 0.009546]\n", + " PeriodicSite: S (4.82, 15.11, 10.19) [0.2373, 0.7441, 0.5016]\n", + " PeriodicSite: S (15.46, 4.959, 0.004863) [0.7613, 0.2441, 0.000244]\n", + " PeriodicSite: S (15.13, 5.181, 9.964) [0.7448, 0.2551, 0.4905]\n", + " PeriodicSite: S (15.29, 15.19, 0.07015) [0.7529, 0.748, 0.003459]\n", + " PeriodicSite: S (14.96, 15.33, 10.4) [0.7367, 0.7548, 0.5119]\n", + " PeriodicSite: S (8.901, 4.028, 8.865) [0.4382, 0.1983, 0.4364]\n", + " PeriodicSite: S (9.406, 3.639, 18.87) [0.4631, 0.1791, 0.929]\n", + " PeriodicSite: S (9.043, 14.01, 8.622) [0.4452, 0.6896, 0.4245]\n", + " PeriodicSite: S (9.022, 14.0, 19.22) [0.4442, 0.6893, 0.946]\n", + " PeriodicSite: S (18.92, 4.108, 9.046) [0.9314, 0.2022, 0.4454]\n", + " PeriodicSite: S (19.55, 3.966, 19.43) [0.9627, 0.1952, 0.9566]\n", + " PeriodicSite: S (18.87, 14.34, 8.981) [0.9291, 0.7058, 0.4421]\n", + " PeriodicSite: S (19.29, 14.02, 18.68) [0.9494, 0.69, 0.9195]\n", + " PeriodicSite: S (3.75, 1.188, 0.8981) [0.1846, 0.05847, 0.04422]\n", + " PeriodicSite: S (3.832, 1.234, 11.26) [0.1887, 0.06075, 0.5542]\n", + " PeriodicSite: S (3.576, 11.34, 0.8426) [0.176, 0.5581, 0.04148]\n", + " PeriodicSite: S (3.97, 11.41, 11.57) [0.1954, 0.5619, 0.5694]\n", + " PeriodicSite: S (14.72, 1.232, 1.55) [0.7244, 0.06062, 0.0763]\n", + " PeriodicSite: S (14.04, 1.707, 11.56) [0.6914, 0.08401, 0.5689]\n", + " PeriodicSite: S (13.5, 10.75, 0.837) [0.6648, 0.5291, 0.04121]\n", + " PeriodicSite: S (13.81, 10.85, 11.33) [0.6801, 0.5342, 0.5578]\n", + " PeriodicSite: S (5.964, 0.8376, 8.638) [0.2936, 0.04123, 0.4253]\n", + " PeriodicSite: S (6.559, 1.029, 19.0) [0.3229, 0.05063, 0.9352]\n", + " PeriodicSite: S (6.151, 11.32, 8.78) [0.3028, 0.5572, 0.4322]\n", + " PeriodicSite: S (6.017, 11.32, 19.1) [0.2962, 0.5572, 0.9403]\n", + " PeriodicSite: S (16.27, 0.9759, 9.034) [0.8008, 0.04804, 0.4448]\n", + " PeriodicSite: S (16.87, 1.099, 19.21) [0.8306, 0.0541, 0.9457]\n", + " PeriodicSite: S (16.47, 11.2, 9.158) [0.8107, 0.5513, 0.4509]\n", + " PeriodicSite: S (16.19, 11.17, 19.08) [0.797, 0.5497, 0.9394]\n", + " PeriodicSite: S (1.413, 4.242, 1.739) [0.06957, 0.2089, 0.08564]\n", + " PeriodicSite: S (1.189, 4.021, 11.11) [0.05854, 0.198, 0.5469]\n", + " PeriodicSite: S (1.002, 13.76, 1.059) [0.04931, 0.6775, 0.05212]\n", + " PeriodicSite: S (0.8448, 14.13, 11.69) [0.04159, 0.6957, 0.5757]\n", + " PeriodicSite: S (11.43, 3.675, 1.332) [0.5626, 0.1809, 0.06556]\n", + " PeriodicSite: S (11.06, 4.07, 11.35) [0.5447, 0.2004, 0.5586]\n", + " PeriodicSite: S (11.52, 13.97, 1.512) [0.5672, 0.6876, 0.07442]\n", + " PeriodicSite: S (11.14, 14.16, 11.25) [0.5486, 0.6971, 0.554]\n", + " PeriodicSite: S (2.775, 2.793, 17.7) [0.1366, 0.1375, 0.8715]\n", + " PeriodicSite: S (2.367, 12.86, 7.898) [0.1165, 0.633, 0.3888]\n", + " PeriodicSite: S (12.74, 2.863, 7.45) [0.6273, 0.141, 0.3668]\n", + " PeriodicSite: S (9.205, 8.588, 3.884) [0.4532, 0.4228, 0.1912]\n", + " PeriodicSite: S (8.746, 9.068, 13.84) [0.4306, 0.4464, 0.6813]\n", + " PeriodicSite: S (9.311, 18.91, 4.004) [0.4584, 0.9311, 0.1971]\n", + " PeriodicSite: S (9.122, 18.82, 14.13) [0.4491, 0.9265, 0.6956]\n", + " PeriodicSite: S (19.62, 8.902, 4.128) [0.966, 0.4383, 0.2033]\n", + " PeriodicSite: S (19.45, 8.998, 13.97) [0.9574, 0.443, 0.6879]\n", + " PeriodicSite: S (18.88, 19.22, 3.86) [0.9296, 0.9462, 0.19]\n", + " PeriodicSite: S (19.13, 19.82, 14.07) [0.9416, 0.9757, 0.6925]\n", + " PeriodicSite: S (3.905, 6.427, 5.74) [0.1923, 0.3164, 0.2826]\n", + " PeriodicSite: S (4.168, 6.225, 16.12) [0.2052, 0.3065, 0.7938]\n", + " PeriodicSite: S (3.606, 16.35, 6.255) [0.1775, 0.8047, 0.3079]\n", + " PeriodicSite: S (2.989, 16.5, 16.36) [0.1472, 0.8125, 0.8055]\n", + " PeriodicSite: S (14.01, 6.302, 6.186) [0.6897, 0.3103, 0.3045]\n", + " PeriodicSite: S (14.08, 6.546, 16.33) [0.6934, 0.3223, 0.8037]\n", + " PeriodicSite: S (13.74, 16.09, 6.227) [0.6765, 0.7921, 0.3065]\n", + " PeriodicSite: S (13.77, 16.32, 16.29) [0.6778, 0.8034, 0.802]\n", + " PeriodicSite: S (6.8, 6.275, 4.008) [0.3348, 0.3089, 0.1973]\n", + " PeriodicSite: S (6.768, 6.102, 14.22) [0.3332, 0.3004, 0.7003]\n", + " PeriodicSite: S (6.058, 16.32, 3.827) [0.2982, 0.8033, 0.1884]\n", + " PeriodicSite: S (5.893, 16.61, 14.62) [0.2901, 0.8175, 0.7198]\n", + " PeriodicSite: S (16.49, 6.539, 3.938) [0.8117, 0.3219, 0.1939]\n", + " PeriodicSite: S (16.25, 5.965, 13.83) [0.8001, 0.2937, 0.6807]\n", + " PeriodicSite: S (16.32, 16.41, 3.882) [0.8035, 0.8081, 0.1911]\n", + " PeriodicSite: S (16.33, 16.6, 14.28) [0.804, 0.8174, 0.7031]\n", + " PeriodicSite: S (1.386, 9.332, 6.696) [0.06825, 0.4594, 0.3296]\n", + " PeriodicSite: S (1.221, 8.927, 16.33) [0.06012, 0.4395, 0.8041]\n", + " PeriodicSite: S (1.073, 18.95, 6.289) [0.05281, 0.9328, 0.3096]\n", + " PeriodicSite: S (1.329, 19.9, 16.15) [0.0654, 0.9799, 0.7953]\n", + " PeriodicSite: S (11.58, 9.45, 6.175) [0.5701, 0.4652, 0.304]\n", + " PeriodicSite: S (11.03, 8.795, 16.24) [0.5432, 0.433, 0.7995]\n", + " PeriodicSite: S (11.38, 19.57, 6.47) [0.5601, 0.9636, 0.3185]\n", + " PeriodicSite: S (10.94, 19.93, 16.95) [0.5386, 0.9809, 0.8343]\n", + " PeriodicSite: S (2.581, 17.64, 2.838) [0.127, 0.8684, 0.1397]\n", + " PeriodicSite: S (2.268, 18.04, 12.69) [0.1117, 0.8882, 0.6248]\n", + " PeriodicSite: S (12.5, 7.354, 12.54) [0.6152, 0.3621, 0.6175]\n", + " PeriodicSite: S (13.14, 17.71, 2.391) [0.6467, 0.8719, 0.1177]\n", + " PeriodicSite: S (4.542, 3.759, 3.7) [0.2236, 0.1851, 0.1822]\n", + " PeriodicSite: S (4.364, 3.722, 13.86) [0.2149, 0.1832, 0.6823]\n", + " PeriodicSite: S (3.503, 13.92, 4.001) [0.1725, 0.6853, 0.197]\n", + " PeriodicSite: S (3.845, 14.09, 14.29) [0.1893, 0.6935, 0.7035]\n", + " PeriodicSite: S (14.05, 4.255, 3.726) [0.6918, 0.2095, 0.1834]\n", + " PeriodicSite: S (13.65, 3.842, 14.29) [0.6718, 0.1891, 0.7037]\n", + " PeriodicSite: S (14.16, 13.78, 3.897) [0.6971, 0.6784, 0.1919]\n", + " PeriodicSite: S (14.18, 14.01, 14.15) [0.6981, 0.6895, 0.6964]\n", + " PeriodicSite: S (8.598, 1.136, 6.087) [0.4233, 0.05594, 0.2997]\n", + " PeriodicSite: S (8.377, 1.051, 16.06) [0.4124, 0.05174, 0.7909]\n", + " PeriodicSite: S (8.888, 11.28, 5.658) [0.4376, 0.5554, 0.2785]\n", + " PeriodicSite: S (8.923, 11.32, 16.15) [0.4393, 0.5574, 0.7949]\n", + " PeriodicSite: S (19.06, 1.087, 6.59) [0.9383, 0.05353, 0.3244]\n", + " PeriodicSite: S (18.98, 1.733, 16.51) [0.9346, 0.08532, 0.813]\n", + " PeriodicSite: S (18.9, 11.25, 6.449) [0.9303, 0.5538, 0.3175]\n", + " PeriodicSite: S (18.81, 11.1, 16.7) [0.9263, 0.5466, 0.8223]\n", + " PeriodicSite: S (1.075, 1.024, 4.029) [0.05291, 0.05043, 0.1984]\n", + " PeriodicSite: S (0.9809, 2.197, 14.12) [0.04829, 0.1082, 0.6952]\n", + " PeriodicSite: S (1.405, 11.49, 4.346) [0.06916, 0.5657, 0.2139]\n", + " PeriodicSite: S (1.153, 11.56, 14.45) [0.05676, 0.569, 0.7112]\n", + " PeriodicSite: S (11.35, 1.269, 3.794) [0.5588, 0.06245, 0.1868]\n", + " PeriodicSite: S (11.08, 1.157, 13.81) [0.5457, 0.05697, 0.6797]\n", + " PeriodicSite: S (11.31, 11.13, 3.485) [0.5566, 0.5478, 0.1716]\n", + " PeriodicSite: S (10.97, 11.25, 13.69) [0.5401, 0.5538, 0.6739]\n", + " PeriodicSite: S (6.165, 4.016, 6.522) [0.3035, 0.1977, 0.3211]\n", + " PeriodicSite: S (6.707, 3.967, 16.39) [0.3302, 0.1953, 0.8069]\n", + " PeriodicSite: S (5.863, 13.87, 6.237) [0.2886, 0.6828, 0.307]\n", + " PeriodicSite: S (5.658, 14.32, 17.05) [0.2785, 0.7049, 0.8392]\n", + " PeriodicSite: S (16.43, 4.033, 6.164) [0.809, 0.1985, 0.3035]\n", + " PeriodicSite: S (16.43, 3.852, 16.23) [0.8089, 0.1896, 0.7988]\n", + " PeriodicSite: S (16.67, 14.17, 6.109) [0.8207, 0.6975, 0.3007]\n", + " PeriodicSite: S (16.23, 14.07, 16.6) [0.7991, 0.6928, 0.8173]\n", + " PeriodicSite: S (7.28, 2.223, 12.55) [0.3584, 0.1094, 0.6178]\n", + " PeriodicSite: S (7.57, 12.85, 2.324) [0.3727, 0.6326, 0.1144]\n", + " PeriodicSite: S (17.73, 2.482, 2.478) [0.8727, 0.1222, 0.122]\n", + " PeriodicSite: S (18.1, 12.6, 2.776) [0.8911, 0.6204, 0.1367]\n", + " PeriodicSite: S (17.63, 12.86, 12.82) [0.868, 0.6329, 0.631]\n", + " PeriodicSite: S (3.914, 9.0, 9.252) [0.1927, 0.4431, 0.4555]\n", + " PeriodicSite: S (3.884, 8.876, 19.1) [0.1912, 0.437, 0.9403]\n", + " PeriodicSite: S (3.495, 19.04, 9.003) [0.1721, 0.9376, 0.4432]\n", + " PeriodicSite: S (4.066, 19.11, 18.86) [0.2002, 0.9406, 0.9286]\n", + " PeriodicSite: S (14.27, 8.709, 8.784) [0.7026, 0.4288, 0.4324]\n", + " PeriodicSite: S (14.25, 8.685, 18.37) [0.7013, 0.4276, 0.9044]\n", + " PeriodicSite: S (13.49, 19.59, 9.308) [0.6643, 0.9644, 0.4583]\n", + " PeriodicSite: S (14.24, 19.4, 19.22) [0.701, 0.9553, 0.946]\n", + " PeriodicSite: S (8.885, 5.594, 1.242) [0.4374, 0.2754, 0.06113]\n", + " PeriodicSite: S (8.783, 6.434, 11.14) [0.4324, 0.3167, 0.5485]\n", + " PeriodicSite: S (9.019, 16.19, 1.561) [0.444, 0.7972, 0.07684]\n", + " PeriodicSite: S (8.868, 16.52, 11.14) [0.4366, 0.8131, 0.5483]\n", + " PeriodicSite: S (19.26, 6.167, 1.547) [0.9484, 0.3036, 0.07617]\n", + " PeriodicSite: S (19.52, 6.885, 11.08) [0.961, 0.339, 0.5453]\n", + " PeriodicSite: S (18.74, 16.17, 1.113) [0.9227, 0.7961, 0.05479]\n", + " PeriodicSite: S (18.88, 16.5, 11.56) [0.9294, 0.8125, 0.5691]\n", + " PeriodicSite: S (1.577, 6.307, 8.78) [0.07766, 0.3105, 0.4323]\n", + " PeriodicSite: S (1.217, 6.558, 19.61) [0.05992, 0.3229, 0.9656]\n", + " PeriodicSite: S (0.8232, 16.69, 9.033) [0.04052, 0.8218, 0.4447]\n", + " PeriodicSite: S (1.077, 16.48, 19.34) [0.05304, 0.8116, 0.9519]\n", + " PeriodicSite: S (11.25, 6.409, 8.79) [0.5541, 0.3155, 0.4327]\n", + " PeriodicSite: S (11.37, 6.269, 19.35) [0.5596, 0.3086, 0.9527]\n", + " PeriodicSite: S (11.21, 16.53, 8.89) [0.5519, 0.8138, 0.4377]\n", + " PeriodicSite: S (11.42, 16.37, 19.39) [0.5621, 0.8058, 0.9546]\n", + " PeriodicSite: S (6.028, 8.998, 1.248) [0.2967, 0.443, 0.06143]\n", + " PeriodicSite: S (6.53, 9.213, 11.31) [0.3215, 0.4536, 0.5568]\n", + " PeriodicSite: S (6.262, 19.08, 1.119) [0.3083, 0.9392, 0.05511]\n", + " PeriodicSite: S (6.081, 19.07, 11.09) [0.2994, 0.9387, 0.546]\n", + " PeriodicSite: S (15.88, 8.4, 0.9697) [0.7819, 0.4135, 0.04775]\n", + " PeriodicSite: S (16.6, 8.883, 11.43) [0.8171, 0.4373, 0.5627]\n", + " PeriodicSite: S (16.6, 18.95, 1.156) [0.8174, 0.9328, 0.0569]\n", + " PeriodicSite: S (15.71, 19.09, 11.8) [0.7733, 0.9397, 0.5811]\n", + " PeriodicSite: S (7.632, 7.337, 17.84) [0.3757, 0.3612, 0.8785]\n", + " PeriodicSite: S (7.453, 17.8, 7.462) [0.3669, 0.8765, 0.3674]\n", + " PeriodicSite: S (17.66, 7.681, 7.727) [0.8693, 0.3781, 0.3804]\n", + " PeriodicSite: S (17.17, 17.8, 8.052) [0.8454, 0.8764, 0.3964]\n", + " PeriodicSite: P (5.13, 0.00129, 20.19) [0.2526, 6.275e-05, 0.9942]\n", + " PeriodicSite: P (4.835, 20.16, 9.998) [0.238, 0.9924, 0.4922]\n", + " PeriodicSite: P (4.919, 10.15, 20.26) [0.2422, 0.4995, 0.9975]\n", + " PeriodicSite: P (5.114, 10.35, 10.31) [0.2517, 0.5094, 0.5075]\n", + " PeriodicSite: P (15.57, 0.03078, 0.06187) [0.7667, 0.001508, 0.00305]\n", + " PeriodicSite: P (14.94, 0.1661, 10.51) [0.7358, 0.008172, 0.5175]\n", + " PeriodicSite: P (14.91, 9.751, 19.95) [0.7341, 0.48, 0.9819]\n", + " PeriodicSite: P (15.21, 9.915, 10.16) [0.7487, 0.4881, 0.5003]\n", + " PeriodicSite: P (5.347, 5.158, 5.042) [0.2632, 0.2539, 0.2482]\n", + " PeriodicSite: P (5.341, 4.909, 15.23) [0.2629, 0.2417, 0.7499]\n", + " PeriodicSite: P (4.821, 15.22, 5.042) [0.2374, 0.7492, 0.2482]\n", + " PeriodicSite: P (4.505, 15.47, 15.65) [0.2218, 0.7618, 0.7706]\n", + " PeriodicSite: P (15.26, 5.315, 5.013) [0.7511, 0.2617, 0.2468]\n", + " PeriodicSite: P (15.11, 5.042, 15.18) [0.7438, 0.2482, 0.7473]\n", + " PeriodicSite: P (15.11, 15.17, 5.012) [0.744, 0.7468, 0.2468]\n", + " PeriodicSite: P (15.18, 15.28, 15.31) [0.7475, 0.7524, 0.7536]\n", + " PeriodicSite: P (20.14, 20.25, 5.231) [0.9913, 0.997, 0.2575]\n", + " PeriodicSite: P (20.18, 0.8187, 15.1) [0.9936, 0.0403, 0.7432]\n", + " PeriodicSite: P (0.1353, 10.27, 5.442) [0.006658, 0.5057, 0.2679]\n", + " PeriodicSite: P (20.29, 10.16, 15.37) [0.9991, 0.5002, 0.7567]\n", + " PeriodicSite: P (10.14, 0.1009, 5.061) [0.499, 0.004961, 0.2491]\n", + " PeriodicSite: P (9.955, 0.1456, 15.19) [0.4901, 0.007166, 0.7478]\n", + " PeriodicSite: P (10.25, 10.05, 4.782) [0.5047, 0.4949, 0.2354]\n", + " PeriodicSite: P (10.14, 10.15, 14.99) [0.4992, 0.4995, 0.7381]\n", + " PeriodicSite: P (0.1948, 5.146, 0.3949) [0.009587, 0.2534, 0.01944]\n", + " PeriodicSite: P (0.01875, 5.412, 9.96) [0.0009234, 0.2665, 0.4904]\n", + " PeriodicSite: P (20.22, 15.16, 20.27) [0.9955, 0.7462, 0.9979]\n", + " PeriodicSite: P (20.04, 15.35, 10.37) [0.9866, 0.7556, 0.5106]\n", + " PeriodicSite: P (10.35, 4.802, 0.06229) [0.5096, 0.2364, 0.00307]\n", + " PeriodicSite: P (10.12, 5.256, 10.02) [0.4981, 0.2588, 0.4931]\n", + " PeriodicSite: P (10.29, 15.12, 0.2944) [0.5068, 0.7443, 0.0145]\n", + " PeriodicSite: P (9.869, 15.32, 9.897) [0.4859, 0.7542, 0.4872],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.996, 3.959, 4.943) [0.09826, 0.1949, 0.2433]\n", + " PeriodicSite: Li (0.368, 3.429, 16.96) [0.01812, 0.1688, 0.8349]\n", + " PeriodicSite: Li (3.393, 13.38, 10.19) [0.167, 0.6588, 0.5019]\n", + " PeriodicSite: Li (1.965, 14.22, 15.94) [0.09674, 0.7001, 0.7849]\n", + " PeriodicSite: Li (14.77, 1.13, 7.286) [0.7273, 0.0556, 0.3587]\n", + " PeriodicSite: Li (11.8, 4.951, 16.57) [0.5809, 0.2437, 0.8159]\n", + " PeriodicSite: Li (16.28, 12.39, 4.369) [0.8014, 0.6099, 0.2151]\n", + " PeriodicSite: Li (16.5, 9.517, 16.9) [0.8124, 0.4685, 0.8318]\n", + " PeriodicSite: Li (3.404, 4.968, 8.422) [0.1676, 0.2446, 0.4146]\n", + " PeriodicSite: Li (4.251, 0.7686, 17.18) [0.2093, 0.03784, 0.8457]\n", + " PeriodicSite: Li (4.201, 8.729, 6.812) [0.2068, 0.4297, 0.3353]\n", + " PeriodicSite: Li (6.411, 10.44, 13.73) [0.3156, 0.5141, 0.6762]\n", + " PeriodicSite: Li (12.32, 4.895, 6.905) [0.6065, 0.241, 0.3399]\n", + " PeriodicSite: Li (13.82, 6.881, 19.89) [0.6801, 0.3388, 0.9795]\n", + " PeriodicSite: Li (11.84, 9.803, 11.55) [0.5831, 0.4826, 0.5688]\n", + " PeriodicSite: Li (10.14, 17.04, 16.71) [0.4991, 0.8388, 0.8228]\n", + " PeriodicSite: Li (2.965, 0.128, 6.44) [0.146, 0.0063, 0.317]\n", + " PeriodicSite: Li (2.834, 2.654, 15.54) [0.1395, 0.1307, 0.7649]\n", + " PeriodicSite: Li (3.528, 11.95, 5.752) [0.1737, 0.5885, 0.2832]\n", + " PeriodicSite: Li (4.871, 12.29, 16.7) [0.2398, 0.6051, 0.822]\n", + " PeriodicSite: Li (11.64, 0.5938, 8.714) [0.5729, 0.02923, 0.429]\n", + " PeriodicSite: Li (9.732, 1.22, 18.1) [0.4791, 0.06006, 0.891]\n", + " PeriodicSite: Li (13.81, 13.22, 9.84) [0.6799, 0.6508, 0.4844]\n", + " PeriodicSite: Li (10.57, 12.88, 17.52) [0.5204, 0.6343, 0.8627]\n", + " PeriodicSite: Li (20.04, 3.207, 6.832) [0.9868, 0.1579, 0.3363]\n", + " PeriodicSite: Li (2.064, 2.862, 0.01436) [0.1016, 0.1409, 0.0007077]\n", + " PeriodicSite: Li (20.31, 12.52, 8.194) [1.0, 0.6165, 0.4034]\n", + " PeriodicSite: Li (3.928, 12.7, 19.63) [0.1934, 0.6254, 0.9666]\n", + " PeriodicSite: Li (13.08, 1.961, 4.955) [0.644, 0.09654, 0.2439]\n", + " PeriodicSite: Li (13.25, 0.4613, 17.12) [0.6524, 0.02271, 0.8427]\n", + " PeriodicSite: Li (10.7, 10.78, 7.892) [0.5269, 0.5309, 0.3885]\n", + " PeriodicSite: Li (13.14, 14.88, 19.14) [0.6468, 0.7324, 0.9425]\n", + " PeriodicSite: Li (5.166, 1.883, 6.478) [0.2543, 0.09272, 0.3189]\n", + " PeriodicSite: Li (2.101, 19.66, 0.1617) [0.1034, 0.968, 0.007963]\n", + " PeriodicSite: Li (4.59, 13.67, 8.016) [0.226, 0.6731, 0.3946]\n", + " PeriodicSite: Li (0.5636, 18.03, 14.12) [0.02774, 0.8875, 0.6953]\n", + " PeriodicSite: Li (14.83, 4.086, 7.78) [0.73, 0.2011, 0.383]\n", + " PeriodicSite: Li (13.86, 3.054, 20.25) [0.6822, 0.1504, 0.9971]\n", + " PeriodicSite: Li (15.84, 15.46, 7.991) [0.7798, 0.7611, 0.3934]\n", + " PeriodicSite: Li (14.13, 13.39, 1.161) [0.6959, 0.659, 0.05716]\n", + " PeriodicSite: Li (5.633, 0.9714, 3.019) [0.2773, 0.04782, 0.1486]\n", + " PeriodicSite: Li (5.053, 2.9, 19.16) [0.2488, 0.1428, 0.9431]\n", + " PeriodicSite: Li (2.032, 14.31, 5.858) [0.1, 0.7046, 0.2884]\n", + " PeriodicSite: Li (20.0, 11.59, 2.256) [0.9847, 0.5704, 0.1111]\n", + " PeriodicSite: Li (10.25, 3.048, 6.456) [0.5045, 0.1501, 0.3179]\n", + " PeriodicSite: Li (16.79, 1.554, 17.16) [0.8267, 0.07649, 0.8446]\n", + " PeriodicSite: Li (14.89, 11.84, 7.072) [0.7331, 0.5827, 0.3482]\n", + " PeriodicSite: Li (15.03, 12.2, 15.96) [0.7401, 0.6008, 0.7858]\n", + " PeriodicSite: Li (3.058, 9.919, 17.08) [0.1505, 0.4883, 0.8409]\n", + " PeriodicSite: Li (1.794, 10.69, 8.631) [0.08832, 0.5265, 0.4249]\n", + " PeriodicSite: Li (3.58, 16.28, 19.17) [0.1762, 0.8013, 0.9438]\n", + " PeriodicSite: Li (1.427, 2.112, 9.418) [0.07025, 0.104, 0.4636]\n", + " PeriodicSite: Li (14.4, 6.248, 2.562) [0.7088, 0.3076, 0.1261]\n", + " PeriodicSite: Li (13.49, 10.06, 16.23) [0.6639, 0.4951, 0.7989]\n", + " PeriodicSite: Li (12.11, 14.74, 7.072) [0.596, 0.7256, 0.3482]\n", + " PeriodicSite: Li (14.88, 18.59, 13.7) [0.7327, 0.9153, 0.6745]\n", + " PeriodicSite: Li (3.47, 6.585, 0.2932) [0.1708, 0.3242, 0.01443]\n", + " PeriodicSite: Li (3.28, 5.125, 12.17) [0.1615, 0.2523, 0.5993]\n", + " PeriodicSite: Li (4.773, 17.41, 1.921) [0.235, 0.857, 0.09459]\n", + " PeriodicSite: Li (3.668, 18.53, 14.94) [0.1806, 0.9121, 0.7357]\n", + " PeriodicSite: Li (16.92, 6.605, 0.635) [0.8332, 0.3252, 0.03127]\n", + " PeriodicSite: Li (10.77, 6.404, 11.96) [0.5304, 0.3153, 0.5887]\n", + " PeriodicSite: Li (13.23, 18.25, 5.074) [0.6511, 0.8983, 0.2498]\n", + " PeriodicSite: Li (10.39, 17.27, 12.69) [0.5113, 0.8503, 0.6249]\n", + " PeriodicSite: Li (0.4955, 8.389, 1.459) [0.02439, 0.413, 0.07183]\n", + " PeriodicSite: Li (4.634, 7.256, 10.94) [0.2281, 0.3572, 0.5385]\n", + " PeriodicSite: Li (3.221, 15.34, 1.86) [0.1586, 0.7554, 0.09155]\n", + " PeriodicSite: Li (3.914, 17.35, 10.87) [0.1927, 0.8543, 0.5349]\n", + " PeriodicSite: Li (11.7, 9.549, 1.706) [0.576, 0.4701, 0.08398]\n", + " PeriodicSite: Li (12.41, 7.249, 15.14) [0.611, 0.3569, 0.7453]\n", + " PeriodicSite: Li (12.02, 15.64, 3.344) [0.592, 0.7701, 0.1646]\n", + " PeriodicSite: Li (13.27, 15.06, 11.9) [0.6531, 0.7413, 0.5857]\n", + " PeriodicSite: Li (1.122, 6.761, 4.228) [0.05525, 0.3329, 0.2082]\n", + " PeriodicSite: Li (17.39, 5.713, 10.12) [0.8563, 0.2813, 0.4982]\n", + " PeriodicSite: Li (0.5415, 17.41, 4.433) [0.02665, 0.8571, 0.2183]\n", + " PeriodicSite: Li (0.7919, 18.68, 10.79) [0.03898, 0.9194, 0.5314]\n", + " PeriodicSite: Li (10.56, 6.385, 3.363) [0.5198, 0.3144, 0.1656]\n", + " PeriodicSite: Li (14.0, 9.462, 13.1) [0.6894, 0.4658, 0.645]\n", + " PeriodicSite: Li (13.42, 17.27, 0.4139) [0.6608, 0.8503, 0.02038]\n", + " PeriodicSite: Li (7.811, 15.48, 16.08) [0.3846, 0.7623, 0.7915]\n", + " PeriodicSite: Li (4.688, 7.611, 3.616) [0.2308, 0.3747, 0.178]\n", + " PeriodicSite: Li (1.209, 7.605, 10.56) [0.05953, 0.3744, 0.5197]\n", + " PeriodicSite: Li (0.1484, 17.7, 1.519) [0.007299, 0.8715, 0.0748]\n", + " PeriodicSite: Li (3.024, 20.22, 12.85) [0.1489, 0.9955, 0.6325]\n", + " PeriodicSite: Li (14.46, 9.574, 2.588) [0.7117, 0.4714, 0.1274]\n", + " PeriodicSite: Li (13.39, 7.095, 10.08) [0.6593, 0.3493, 0.4963]\n", + " PeriodicSite: Li (12.35, 20.2, 0.6879) [0.6078, 0.9943, 0.03387]\n", + " PeriodicSite: Li (14.15, 17.18, 10.15) [0.6964, 0.8457, 0.4999]\n", + " PeriodicSite: Li (5.663, 4.495, 2.176) [0.2788, 0.2213, 0.1071]\n", + " PeriodicSite: Li (4.332, 7.722, 14.73) [0.2133, 0.3801, 0.725]\n", + " PeriodicSite: Li (3.844, 17.46, 4.292) [0.1893, 0.8597, 0.2113]\n", + " PeriodicSite: Li (1.973, 15.6, 12.75) [0.09714, 0.7681, 0.6279]\n", + " PeriodicSite: Li (13.25, 11.38, 5.028) [0.6522, 0.5604, 0.2475]\n", + " PeriodicSite: Li (14.04, 5.727, 12.54) [0.6911, 0.2819, 0.6174]\n", + " PeriodicSite: Li (14.93, 17.02, 2.367) [0.7348, 0.838, 0.1166]\n", + " PeriodicSite: Li (14.64, 2.446, 15.97) [0.7207, 0.1204, 0.786]\n", + " PeriodicSite: Li (9.769, 3.278, 2.675) [0.4809, 0.1614, 0.1317]\n", + " PeriodicSite: Li (9.167, 3.534, 13.29) [0.4513, 0.174, 0.6541]\n", + " PeriodicSite: Li (7.315, 9.593, 2.578) [0.3601, 0.4723, 0.1269]\n", + " PeriodicSite: Li (3.463, 10.88, 13.9) [0.1705, 0.5356, 0.6843]\n", + " PeriodicSite: Li (17.22, 1.043, 4.162) [0.848, 0.05135, 0.2049]\n", + " PeriodicSite: Li (13.12, 3.491, 9.893) [0.646, 0.1718, 0.4871]\n", + " PeriodicSite: Li (17.48, 10.93, 1.427) [0.8606, 0.538, 0.07024]\n", + " PeriodicSite: Li (17.27, 10.31, 13.2) [0.8505, 0.5075, 0.6497]\n", + " PeriodicSite: Li (7.099, 18.53, 4.816) [0.3495, 0.9121, 0.2371]\n", + " PeriodicSite: Li (6.137, 2.371, 14.31) [0.3022, 0.1167, 0.7045]\n", + " PeriodicSite: Li (7.436, 11.85, 0.1572) [0.3661, 0.5833, 0.00774]\n", + " PeriodicSite: Li (9.68, 13.66, 13.06) [0.4766, 0.6723, 0.643]\n", + " PeriodicSite: Li (14.53, 19.45, 2.751) [0.7152, 0.9578, 0.1355]\n", + " PeriodicSite: Li (19.65, 1.801, 12.11) [0.9672, 0.08868, 0.5963]\n", + " PeriodicSite: Li (18.91, 13.06, 4.792) [0.931, 0.6427, 0.2359]\n", + " PeriodicSite: Li (15.87, 14.84, 12.34) [0.7812, 0.7306, 0.6073]\n", + " PeriodicSite: Li (8.463, 6.034, 6.114) [0.4166, 0.2971, 0.301]\n", + " PeriodicSite: Li (8.829, 0.08796, 12.25) [0.4346, 0.004327, 0.6031]\n", + " PeriodicSite: Li (9.191, 14.22, 3.27) [0.4525, 0.7001, 0.161]\n", + " PeriodicSite: Li (7.05, 13.44, 10.32) [0.3471, 0.6615, 0.5082]\n", + " PeriodicSite: Li (0.146, 2.618, 2.745) [0.007188, 0.1289, 0.1352]\n", + " PeriodicSite: Li (17.92, 3.444, 15.13) [0.8823, 0.1696, 0.745]\n", + " PeriodicSite: Li (16.94, 14.82, 2.402) [0.8341, 0.7295, 0.1183]\n", + " PeriodicSite: Li (15.19, 11.84, 13.3) [0.748, 0.5829, 0.6549]\n", + " PeriodicSite: Li (3.234, 20.04, 3.395) [0.1592, 0.9867, 0.1671]\n", + " PeriodicSite: Li (5.881, 0.441, 12.28) [0.2895, 0.02171, 0.6047]\n", + " PeriodicSite: Li (5.219, 12.71, 2.232) [0.2569, 0.6258, 0.1099]\n", + " PeriodicSite: Li (8.664, 7.135, 15.61) [0.4266, 0.3513, 0.7685]\n", + " PeriodicSite: Li (18.32, 4.838, 3.772) [0.902, 0.2382, 0.1857]\n", + " PeriodicSite: Li (16.91, 0.1404, 13.82) [0.8326, 0.006907, 0.6803]\n", + " PeriodicSite: Li (16.59, 14.23, 18.75) [0.8166, 0.7004, 0.9229]\n", + " PeriodicSite: Li (20.05, 11.89, 12.46) [0.9872, 0.5855, 0.6133]\n", + " PeriodicSite: Li (7.206, 3.365, 20.22) [0.3547, 0.1657, 0.9954]\n", + " PeriodicSite: Li (5.504, 2.702, 10.24) [0.2709, 0.133, 0.5041]\n", + " PeriodicSite: Li (9.887, 12.24, 1.607) [0.4867, 0.6027, 0.07911]\n", + " PeriodicSite: Li (8.918, 10.73, 12.05) [0.439, 0.5283, 0.5933]\n", + " PeriodicSite: Li (15.81, 3.642, 2.498) [0.7785, 0.1793, 0.123]\n", + " PeriodicSite: Li (16.14, 3.435, 11.41) [0.7945, 0.1691, 0.5619]\n", + " PeriodicSite: Li (0.2289, 12.04, 18.7) [0.01127, 0.5928, 0.9207]\n", + " PeriodicSite: Li (18.22, 15.08, 14.01) [0.897, 0.7423, 0.6897]\n", + " PeriodicSite: Li (8.646, 0.8437, 1.984) [0.4256, 0.04153, 0.0977]\n", + " PeriodicSite: Li (9.032, 2.236, 10.66) [0.4447, 0.1101, 0.5247]\n", + " PeriodicSite: Li (6.987, 11.76, 4.888) [0.344, 0.5788, 0.2407]\n", + " PeriodicSite: Li (5.175, 15.37, 12.62) [0.2547, 0.7565, 0.6211]\n", + " PeriodicSite: Li (17.86, 3.139, 0.1654) [0.8792, 0.1545, 0.00815]\n", + " PeriodicSite: Li (1.13, 7.035, 13.95) [0.05564, 0.3463, 0.6868]\n", + " PeriodicSite: Li (2.93, 15.44, 8.984) [0.1443, 0.7603, 0.4423]\n", + " PeriodicSite: Li (17.14, 12.89, 10.44) [0.844, 0.6348, 0.514]\n", + " PeriodicSite: Li (13.38, 8.151, 5.132) [0.6587, 0.4013, 0.2526]\n", + " PeriodicSite: Li (5.401, 8.365, 17.2) [0.2659, 0.4118, 0.8468]\n", + " PeriodicSite: Li (6.705, 17.08, 9.331) [0.3301, 0.8411, 0.4594]\n", + " PeriodicSite: Li (6.69, 16.06, 19.22) [0.3293, 0.7904, 0.9462]\n", + " PeriodicSite: Li (16.36, 9.422, 7.363) [0.8053, 0.4639, 0.3625]\n", + " PeriodicSite: Li (3.438, 4.77, 18.16) [0.1692, 0.2349, 0.8938]\n", + " PeriodicSite: Li (17.57, 18.9, 5.797) [0.8649, 0.9303, 0.2854]\n", + " PeriodicSite: Li (19.49, 19.41, 17.74) [0.9594, 0.9556, 0.8736]\n", + " PeriodicSite: Li (7.451, 9.07, 5.839) [0.3668, 0.4465, 0.2875]\n", + " PeriodicSite: Li (8.599, 4.863, 16.77) [0.4234, 0.2394, 0.8257]\n", + " PeriodicSite: Li (8.017, 20.22, 7.494) [0.3947, 0.9952, 0.3689]\n", + " PeriodicSite: Li (6.713, 19.78, 15.4) [0.3305, 0.9739, 0.7583]\n", + " PeriodicSite: Li (18.24, 8.709, 10.29) [0.8979, 0.4287, 0.5068]\n", + " PeriodicSite: Li (18.16, 7.361, 15.12) [0.8939, 0.3624, 0.7442]\n", + " PeriodicSite: Li (18.27, 20.12, 8.606) [0.8995, 0.9904, 0.4237]\n", + " PeriodicSite: Li (20.05, 16.15, 17.37) [0.9869, 0.7951, 0.855]\n", + " PeriodicSite: Li (7.101, 5.177, 9.213) [0.3496, 0.2549, 0.4535]\n", + " PeriodicSite: Li (6.398, 5.584, 18.1) [0.315, 0.2749, 0.8913]\n", + " PeriodicSite: Li (9.604, 18.22, 9.29) [0.4728, 0.8972, 0.4573]\n", + " PeriodicSite: Li (12.25, 14.44, 15.73) [0.603, 0.7107, 0.7745]\n", + " PeriodicSite: Li (19.86, 7.945, 7.608) [0.9777, 0.3911, 0.3745]\n", + " PeriodicSite: Li (19.74, 6.39, 17.97) [0.9718, 0.3146, 0.8846]\n", + " PeriodicSite: Li (17.24, 17.3, 10.01) [0.8485, 0.8517, 0.4929]\n", + " PeriodicSite: Li (17.23, 17.28, 19.81) [0.8484, 0.8507, 0.9752]\n", + " PeriodicSite: Li (8.058, 8.679, 9.597) [0.3967, 0.4273, 0.4725]\n", + " PeriodicSite: Li (7.102, 6.915, 20.19) [0.3497, 0.3405, 0.994]\n", + " PeriodicSite: Li (5.265, 18.6, 6.797) [0.2592, 0.9155, 0.3346]\n", + " PeriodicSite: Li (6.783, 14.85, 1.938) [0.3339, 0.7311, 0.09542]\n", + " PeriodicSite: Li (15.54, 6.747, 8.571) [0.7649, 0.3322, 0.422]\n", + " PeriodicSite: Li (18.78, 9.486, 18.49) [0.9247, 0.467, 0.9104]\n", + " PeriodicSite: Li (15.34, 18.68, 7.146) [0.7554, 0.9199, 0.3518]\n", + " PeriodicSite: Li (15.86, 18.48, 16.63) [0.781, 0.9096, 0.8185]\n", + " PeriodicSite: Li (6.145, 4.625, 12.45) [0.3025, 0.2277, 0.6131]\n", + " PeriodicSite: Li (7.719, 9.722, 16.96) [0.38, 0.4786, 0.835]\n", + " PeriodicSite: Li (9.82, 17.12, 6.459) [0.4834, 0.8426, 0.318]\n", + " PeriodicSite: Li (10.38, 18.08, 1.969) [0.5111, 0.8901, 0.09696]\n", + " PeriodicSite: Li (17.39, 9.141, 4.946) [0.8561, 0.45, 0.2435]\n", + " PeriodicSite: Li (14.6, 4.687, 18.36) [0.7187, 0.2307, 0.9039]\n", + " PeriodicSite: Li (19.43, 16.26, 7.262) [0.9567, 0.8005, 0.3575]\n", + " PeriodicSite: Li (18.0, 0.6353, 1.61) [0.8862, 0.03127, 0.07925]\n", + " PeriodicSite: Li (3.276, 10.08, 3.522) [0.1613, 0.4964, 0.1734]\n", + " PeriodicSite: Li (9.76, 8.256, 19.06) [0.4805, 0.4064, 0.9382]\n", + " PeriodicSite: Li (7.886, 15.55, 7.256) [0.3882, 0.7657, 0.3572]\n", + " PeriodicSite: Li (7.974, 19.31, 19.69) [0.3926, 0.9506, 0.9693]\n", + " PeriodicSite: Li (18.12, 5.62, 7.283) [0.8922, 0.2767, 0.3586]\n", + " PeriodicSite: Li (18.11, 12.49, 15.19) [0.8917, 0.6151, 0.7479]\n", + " PeriodicSite: Li (19.87, 14.31, 2.44) [0.978, 0.7044, 0.1201]\n", + " PeriodicSite: Li (12.85, 0.8955, 13.87) [0.6327, 0.04408, 0.683]\n", + " PeriodicSite: Cl (7.581, 12.46, 12.57) [0.3732, 0.6136, 0.6186]\n", + " PeriodicSite: Cl (2.61, 12.69, 17.85) [0.1285, 0.6245, 0.8787]\n", + " PeriodicSite: Cl (12.59, 17.33, 12.28) [0.6201, 0.8533, 0.6044]\n", + " PeriodicSite: Cl (17.78, 7.648, 17.74) [0.8754, 0.3765, 0.8736]\n", + " PeriodicSite: Cl (7.435, 2.726, 2.222) [0.366, 0.1342, 0.1094]\n", + " PeriodicSite: Cl (7.89, 7.72, 7.577) [0.3885, 0.3801, 0.373]\n", + " PeriodicSite: Cl (12.72, 12.62, 7.703) [0.6261, 0.6212, 0.3792]\n", + " PeriodicSite: Cl (2.429, 7.726, 2.58) [0.1196, 0.3804, 0.127]\n", + " PeriodicSite: Cl (2.833, 7.623, 12.72) [0.1395, 0.3753, 0.6262]\n", + " PeriodicSite: Cl (12.64, 12.8, 17.38) [0.6223, 0.6301, 0.8558]\n", + " PeriodicSite: Cl (17.91, 17.85, 17.53) [0.8815, 0.8789, 0.863]\n", + " PeriodicSite: Cl (2.307, 2.488, 7.398) [0.1136, 0.1225, 0.3642]\n", + " PeriodicSite: Cl (13.01, 2.797, 17.83) [0.6406, 0.1377, 0.8779]\n", + " PeriodicSite: Cl (12.69, 7.61, 2.924) [0.6245, 0.3746, 0.1439]\n", + " PeriodicSite: Cl (17.54, 2.338, 12.92) [0.8636, 0.1151, 0.6362]\n", + " PeriodicSite: Cl (8.057, 17.75, 17.85) [0.3967, 0.8738, 0.8785]\n", + " PeriodicSite: Cl (20.28, 20.06, 0.2321) [0.9985, 0.9874, 0.01143]\n", + " PeriodicSite: Cl (20.15, 0.2951, 10.19) [0.9922, 0.01452, 0.5016]\n", + " PeriodicSite: Cl (19.67, 10.19, 0.275) [0.9682, 0.5017, 0.01355]\n", + " PeriodicSite: Cl (0.1549, 9.913, 10.09) [0.007625, 0.488, 0.4965]\n", + " PeriodicSite: Cl (9.918, 20.15, 0.03972) [0.4883, 0.9919, 0.00196]\n", + " PeriodicSite: Cl (9.57, 0.1212, 9.744) [0.4712, 0.005962, 0.4797]\n", + " PeriodicSite: Cl (9.457, 9.726, 0.4533) [0.4656, 0.4788, 0.02232]\n", + " PeriodicSite: Cl (9.915, 9.945, 9.925) [0.4881, 0.4896, 0.4886]\n", + " PeriodicSite: Cl (20.14, 4.973, 5.418) [0.9917, 0.2448, 0.2668]\n", + " PeriodicSite: Cl (20.12, 5.31, 15.62) [0.9906, 0.2614, 0.7689]\n", + " PeriodicSite: Cl (20.25, 15.17, 4.852) [0.9967, 0.747, 0.2389]\n", + " PeriodicSite: Cl (20.27, 15.94, 15.05) [0.9981, 0.7849, 0.7409]\n", + " PeriodicSite: Cl (10.48, 4.712, 4.878) [0.5159, 0.232, 0.2401]\n", + " PeriodicSite: Cl (10.07, 5.576, 14.99) [0.4956, 0.2745, 0.7378]\n", + " PeriodicSite: Cl (10.23, 15.31, 5.145) [0.5035, 0.7538, 0.2533]\n", + " PeriodicSite: Cl (9.999, 15.06, 15.48) [0.4923, 0.7414, 0.7619]\n", + " PeriodicSite: S (4.926, 20.08, 4.98) [0.2425, 0.9886, 0.2452]\n", + " PeriodicSite: S (4.699, 0.4422, 14.72) [0.2313, 0.02177, 0.7249]\n", + " PeriodicSite: S (5.277, 9.925, 4.914) [0.2598, 0.4886, 0.2419]\n", + " PeriodicSite: S (4.828, 10.24, 15.68) [0.2377, 0.5043, 0.772]\n", + " PeriodicSite: S (15.07, 20.09, 5.0) [0.742, 0.9888, 0.2461]\n", + " PeriodicSite: S (15.11, 0.4301, 15.29) [0.744, 0.02117, 0.7527]\n", + " PeriodicSite: S (15.26, 10.24, 5.001) [0.751, 0.5043, 0.2462]\n", + " PeriodicSite: S (15.36, 10.13, 14.99) [0.7564, 0.4986, 0.7377]\n", + " PeriodicSite: S (5.199, 4.924, 20.05) [0.2559, 0.2424, 0.9871]\n", + " PeriodicSite: S (5.041, 5.056, 10.26) [0.2482, 0.2489, 0.5053]\n", + " PeriodicSite: S (4.821, 15.03, 0.5924) [0.2373, 0.7401, 0.02917]\n", + " PeriodicSite: S (4.83, 15.21, 10.36) [0.2378, 0.7486, 0.5102]\n", + " PeriodicSite: S (15.02, 5.047, 0.3775) [0.7393, 0.2485, 0.01859]\n", + " PeriodicSite: S (14.93, 5.114, 10.17) [0.7352, 0.2518, 0.5007]\n", + " PeriodicSite: S (15.04, 15.35, 0.1615) [0.7406, 0.7556, 0.007955]\n", + " PeriodicSite: S (15.03, 15.03, 10.18) [0.7399, 0.7401, 0.5009]\n", + " PeriodicSite: S (8.942, 3.708, 8.368) [0.4403, 0.1825, 0.4119]\n", + " PeriodicSite: S (9.251, 3.724, 18.82) [0.4554, 0.1833, 0.9267]\n", + " PeriodicSite: S (8.68, 14.17, 8.765) [0.4273, 0.6974, 0.4315]\n", + " PeriodicSite: S (9.086, 13.72, 19.44) [0.4473, 0.6755, 0.957]\n", + " PeriodicSite: S (19.0, 3.906, 9.059) [0.9355, 0.1923, 0.446]\n", + " PeriodicSite: S (19.88, 4.036, 19.51) [0.9785, 0.1987, 0.9604]\n", + " PeriodicSite: S (18.8, 14.3, 8.938) [0.9256, 0.704, 0.44]\n", + " PeriodicSite: S (19.05, 14.22, 18.79) [0.9379, 0.7003, 0.9249]\n", + " PeriodicSite: S (3.945, 1.315, 1.191) [0.1942, 0.06474, 0.05862]\n", + " PeriodicSite: S (3.713, 1.014, 10.97) [0.1828, 0.04993, 0.5402]\n", + " PeriodicSite: S (3.788, 11.15, 1.121) [0.1865, 0.5489, 0.05517]\n", + " PeriodicSite: S (4.194, 11.63, 11.89) [0.2065, 0.5726, 0.5856]\n", + " PeriodicSite: S (14.21, 1.219, 1.247) [0.6998, 0.06002, 0.06137]\n", + " PeriodicSite: S (13.94, 1.617, 11.5) [0.6863, 0.07958, 0.5663]\n", + " PeriodicSite: S (13.56, 11.05, 0.6903) [0.6678, 0.5442, 0.03399]\n", + " PeriodicSite: S (13.87, 11.16, 11.41) [0.683, 0.5493, 0.5619]\n", + " PeriodicSite: S (6.046, 0.9786, 8.87) [0.2977, 0.04817, 0.4367]\n", + " PeriodicSite: S (6.504, 1.08, 19.22) [0.3202, 0.05317, 0.946]\n", + " PeriodicSite: S (5.64, 11.75, 8.878) [0.2777, 0.5784, 0.4371]\n", + " PeriodicSite: S (5.88, 11.15, 18.95) [0.2895, 0.5487, 0.9327]\n", + " PeriodicSite: S (16.44, 1.383, 9.402) [0.8095, 0.06809, 0.4629]\n", + " PeriodicSite: S (16.75, 1.162, 19.52) [0.8244, 0.05721, 0.9611]\n", + " PeriodicSite: S (16.38, 11.29, 8.972) [0.8066, 0.5556, 0.4417]\n", + " PeriodicSite: S (16.66, 11.37, 19.19) [0.82, 0.5597, 0.9445]\n", + " PeriodicSite: S (1.617, 4.128, 1.886) [0.07962, 0.2032, 0.09285]\n", + " PeriodicSite: S (1.634, 3.834, 10.8) [0.08044, 0.1887, 0.5319]\n", + " PeriodicSite: S (1.147, 13.61, 0.9085) [0.05645, 0.6703, 0.04473]\n", + " PeriodicSite: S (0.7705, 14.1, 11.42) [0.03793, 0.694, 0.5621]\n", + " PeriodicSite: S (11.78, 3.864, 0.8749) [0.5798, 0.1902, 0.04308]\n", + " PeriodicSite: S (10.87, 3.975, 11.4) [0.535, 0.1957, 0.561]\n", + " PeriodicSite: S (11.51, 14.1, 1.478) [0.5668, 0.6939, 0.07279]\n", + " PeriodicSite: S (11.03, 13.92, 11.26) [0.5428, 0.6854, 0.5543]\n", + " PeriodicSite: S (2.964, 2.627, 17.86) [0.1459, 0.1293, 0.8791]\n", + " PeriodicSite: S (2.355, 13.16, 7.876) [0.1159, 0.6479, 0.3877]\n", + " PeriodicSite: S (12.86, 2.531, 7.555) [0.633, 0.1246, 0.3719]\n", + " PeriodicSite: S (9.277, 8.306, 3.962) [0.4567, 0.4089, 0.1951]\n", + " PeriodicSite: S (8.532, 9.306, 14.23) [0.42, 0.4581, 0.7005]\n", + " PeriodicSite: S (9.061, 18.97, 3.78) [0.4461, 0.9339, 0.1861]\n", + " PeriodicSite: S (8.91, 18.73, 14.32) [0.4386, 0.9222, 0.7051]\n", + " PeriodicSite: S (19.66, 8.646, 3.967) [0.9678, 0.4256, 0.1953]\n", + " PeriodicSite: S (19.4, 9.03, 13.89) [0.9551, 0.4445, 0.6836]\n", + " PeriodicSite: S (19.2, 19.38, 3.699) [0.9454, 0.9542, 0.1821]\n", + " PeriodicSite: S (19.19, 19.88, 13.69) [0.9446, 0.9785, 0.6737]\n", + " PeriodicSite: S (3.707, 6.317, 6.091) [0.1825, 0.311, 0.2999]\n", + " PeriodicSite: S (4.067, 6.27, 16.57) [0.2002, 0.3087, 0.816]\n", + " PeriodicSite: S (4.03, 16.23, 6.337) [0.1984, 0.7989, 0.312]\n", + " PeriodicSite: S (3.319, 16.53, 16.69) [0.1634, 0.814, 0.8217]\n", + " PeriodicSite: S (14.21, 6.46, 6.43) [0.6997, 0.318, 0.3166]\n", + " PeriodicSite: S (14.12, 6.268, 16.58) [0.6952, 0.3086, 0.8161]\n", + " PeriodicSite: S (13.91, 16.18, 6.198) [0.6848, 0.7964, 0.3051]\n", + " PeriodicSite: S (14.08, 16.11, 16.66) [0.6932, 0.793, 0.8202]\n", + " PeriodicSite: S (6.606, 6.016, 4.087) [0.3252, 0.2962, 0.2012]\n", + " PeriodicSite: S (6.509, 6.27, 14.21) [0.3204, 0.3087, 0.6998]\n", + " PeriodicSite: S (6.223, 16.3, 3.952) [0.3064, 0.8026, 0.1946]\n", + " PeriodicSite: S (5.951, 16.85, 14.36) [0.293, 0.8297, 0.7071]\n", + " PeriodicSite: S (16.48, 6.675, 3.789) [0.8114, 0.3286, 0.1866]\n", + " PeriodicSite: S (16.52, 5.718, 14.0) [0.8133, 0.2815, 0.6891]\n", + " PeriodicSite: S (16.6, 16.57, 4.162) [0.8174, 0.8157, 0.2049]\n", + " PeriodicSite: S (16.25, 16.38, 14.03) [0.8001, 0.8063, 0.6909]\n", + " PeriodicSite: S (1.27, 9.072, 6.535) [0.06254, 0.4466, 0.3217]\n", + " PeriodicSite: S (1.062, 8.535, 16.5) [0.05226, 0.4202, 0.8123]\n", + " PeriodicSite: S (0.7785, 18.84, 6.39) [0.03832, 0.9276, 0.3146]\n", + " PeriodicSite: S (1.13, 19.72, 16.03) [0.05562, 0.9706, 0.7891]\n", + " PeriodicSite: S (11.75, 9.269, 6.236) [0.5787, 0.4563, 0.307]\n", + " PeriodicSite: S (11.28, 9.04, 16.18) [0.5552, 0.4451, 0.7966]\n", + " PeriodicSite: S (11.21, 19.43, 6.369) [0.5517, 0.9567, 0.3135]\n", + " PeriodicSite: S (11.12, 19.64, 16.77) [0.5473, 0.967, 0.8258]\n", + " PeriodicSite: S (2.298, 17.83, 2.473) [0.1131, 0.8778, 0.1217]\n", + " PeriodicSite: S (2.68, 17.93, 12.88) [0.1319, 0.8829, 0.6343]\n", + " PeriodicSite: S (12.8, 7.627, 12.55) [0.6301, 0.3755, 0.6179]\n", + " PeriodicSite: S (12.81, 17.93, 2.575) [0.6305, 0.8828, 0.1268]\n", + " PeriodicSite: S (4.297, 3.729, 4.13) [0.2116, 0.1836, 0.2033]\n", + " PeriodicSite: S (4.198, 4.039, 13.87) [0.2067, 0.1988, 0.6828]\n", + " PeriodicSite: S (3.824, 13.87, 3.886) [0.1883, 0.6827, 0.1913]\n", + " PeriodicSite: S (3.733, 14.3, 14.25) [0.1838, 0.7038, 0.7016]\n", + " PeriodicSite: S (14.2, 4.181, 3.965) [0.6993, 0.2058, 0.1952]\n", + " PeriodicSite: S (13.89, 3.863, 14.38) [0.6837, 0.1902, 0.7079]\n", + " PeriodicSite: S (14.41, 13.93, 3.693) [0.7093, 0.6856, 0.1818]\n", + " PeriodicSite: S (14.15, 13.93, 14.05) [0.6967, 0.6859, 0.6918]\n", + " PeriodicSite: S (8.698, 1.361, 5.62) [0.4282, 0.067, 0.2767]\n", + " PeriodicSite: S (8.114, 1.01, 16.4) [0.3994, 0.04974, 0.8074]\n", + " PeriodicSite: S (9.022, 10.99, 6.028) [0.4442, 0.5409, 0.2967]\n", + " PeriodicSite: S (9.118, 11.61, 16.28) [0.4489, 0.5715, 0.8017]\n", + " PeriodicSite: S (18.68, 1.02, 6.351) [0.9198, 0.05021, 0.3127]\n", + " PeriodicSite: S (19.18, 1.729, 16.54) [0.9441, 0.0851, 0.8141]\n", + " PeriodicSite: S (18.87, 10.92, 6.304) [0.929, 0.5378, 0.3103]\n", + " PeriodicSite: S (19.19, 11.11, 16.83) [0.9446, 0.547, 0.8287]\n", + " PeriodicSite: S (1.341, 1.357, 4.531) [0.066, 0.06681, 0.2231]\n", + " PeriodicSite: S (0.9669, 2.11, 14.06) [0.04761, 0.1039, 0.6922]\n", + " PeriodicSite: S (1.26, 11.43, 4.474) [0.06205, 0.5629, 0.2203]\n", + " PeriodicSite: S (1.174, 11.35, 14.48) [0.05781, 0.5586, 0.7128]\n", + " PeriodicSite: S (11.24, 1.088, 3.519) [0.5532, 0.05355, 0.1732]\n", + " PeriodicSite: S (10.62, 1.556, 14.19) [0.5227, 0.07659, 0.6984]\n", + " PeriodicSite: S (11.27, 11.2, 3.517) [0.555, 0.5514, 0.1732]\n", + " PeriodicSite: S (11.13, 11.15, 13.62) [0.5478, 0.5487, 0.6703]\n", + " PeriodicSite: S (6.328, 4.281, 6.89) [0.3115, 0.2107, 0.3392]\n", + " PeriodicSite: S (6.22, 3.7, 16.5) [0.3062, 0.1821, 0.8124]\n", + " PeriodicSite: S (6.335, 13.76, 6.15) [0.3119, 0.6773, 0.3028]\n", + " PeriodicSite: S (5.749, 14.44, 16.96) [0.283, 0.711, 0.835]\n", + " PeriodicSite: S (16.67, 4.175, 5.996) [0.8208, 0.2055, 0.2952]\n", + " PeriodicSite: S (16.27, 3.978, 16.73) [0.801, 0.1958, 0.8235]\n", + " PeriodicSite: S (16.18, 13.72, 6.398) [0.7967, 0.6756, 0.315]\n", + " PeriodicSite: S (16.74, 14.03, 16.29) [0.824, 0.6907, 0.8022]\n", + " PeriodicSite: S (7.553, 2.367, 12.17) [0.3718, 0.1165, 0.5991]\n", + " PeriodicSite: S (7.597, 12.42, 2.566) [0.374, 0.6112, 0.1263]\n", + " PeriodicSite: S (18.1, 2.736, 2.572) [0.891, 0.1347, 0.1266]\n", + " PeriodicSite: S (18.0, 12.87, 2.618) [0.8863, 0.6336, 0.1289]\n", + " PeriodicSite: S (17.61, 12.69, 12.74) [0.867, 0.6245, 0.6274]\n", + " PeriodicSite: S (3.574, 9.27, 9.453) [0.1759, 0.4564, 0.4654]\n", + " PeriodicSite: S (3.571, 8.685, 19.22) [0.1758, 0.4276, 0.9461]\n", + " PeriodicSite: S (3.74, 18.78, 8.487) [0.1841, 0.9248, 0.4178]\n", + " PeriodicSite: S (3.994, 19.19, 18.93) [0.1966, 0.9446, 0.9321]\n", + " PeriodicSite: S (14.26, 8.928, 8.731) [0.702, 0.4395, 0.4298]\n", + " PeriodicSite: S (14.33, 8.97, 18.35) [0.7056, 0.4416, 0.9035]\n", + " PeriodicSite: S (14.01, 19.51, 9.071) [0.6895, 0.9605, 0.4466]\n", + " PeriodicSite: S (14.21, 19.05, 19.14) [0.6996, 0.9378, 0.9421]\n", + " PeriodicSite: S (9.075, 5.938, 1.312) [0.4468, 0.2923, 0.06461]\n", + " PeriodicSite: S (8.652, 6.204, 10.65) [0.426, 0.3054, 0.5242]\n", + " PeriodicSite: S (8.946, 16.43, 1.313) [0.4404, 0.8088, 0.06463]\n", + " PeriodicSite: S (8.9, 16.43, 11.09) [0.4381, 0.8087, 0.5458]\n", + " PeriodicSite: S (19.24, 6.227, 1.839) [0.9471, 0.3066, 0.09053]\n", + " PeriodicSite: S (19.74, 6.31, 11.42) [0.972, 0.3106, 0.5624]\n", + " PeriodicSite: S (19.01, 16.11, 1.206) [0.9356, 0.793, 0.05936]\n", + " PeriodicSite: S (18.74, 16.48, 11.54) [0.9226, 0.8114, 0.5681]\n", + " PeriodicSite: S (1.32, 6.192, 8.494) [0.06497, 0.3048, 0.4182]\n", + " PeriodicSite: S (1.162, 6.717, 19.94) [0.05721, 0.3307, 0.9814]\n", + " PeriodicSite: S (0.9841, 16.71, 9.461) [0.04844, 0.8225, 0.4658]\n", + " PeriodicSite: S (0.9367, 16.51, 19.14) [0.04611, 0.8127, 0.9423]\n", + " PeriodicSite: S (11.51, 6.064, 8.889) [0.5669, 0.2985, 0.4376]\n", + " PeriodicSite: S (11.22, 6.343, 18.83) [0.5522, 0.3122, 0.9271]\n", + " PeriodicSite: S (11.46, 16.25, 8.929) [0.5643, 0.8002, 0.4396]\n", + " PeriodicSite: S (11.27, 16.27, 19.15) [0.5548, 0.8009, 0.9427]\n", + " PeriodicSite: S (6.031, 8.662, 0.9977) [0.2969, 0.4264, 0.04912]\n", + " PeriodicSite: S (6.378, 9.303, 11.28) [0.314, 0.458, 0.5553]\n", + " PeriodicSite: S (6.207, 19.23, 1.313) [0.3056, 0.9468, 0.06466]\n", + " PeriodicSite: S (5.915, 18.82, 10.85) [0.2912, 0.9267, 0.5343]\n", + " PeriodicSite: S (16.15, 8.821, 0.8532) [0.7952, 0.4342, 0.04201]\n", + " PeriodicSite: S (16.23, 8.772, 11.4) [0.7989, 0.4318, 0.5611]\n", + " PeriodicSite: S (16.5, 19.13, 1.283) [0.8121, 0.9416, 0.06316]\n", + " PeriodicSite: S (16.21, 19.24, 11.71) [0.7978, 0.9474, 0.5767]\n", + " PeriodicSite: S (7.8, 7.515, 17.73) [0.384, 0.37, 0.8726]\n", + " PeriodicSite: S (7.744, 17.71, 7.21) [0.3812, 0.8718, 0.355]\n", + " PeriodicSite: S (17.72, 7.624, 8.15) [0.8724, 0.3753, 0.4012]\n", + " PeriodicSite: S (17.48, 17.7, 7.722) [0.8604, 0.8712, 0.3802]\n", + " PeriodicSite: P (5.168, 20.27, 20.26) [0.2544, 0.9979, 0.9975]\n", + " PeriodicSite: P (4.738, 20.02, 9.787) [0.2333, 0.9855, 0.4818]\n", + " PeriodicSite: P (4.831, 9.857, 20.21) [0.2379, 0.4853, 0.995]\n", + " PeriodicSite: P (4.942, 10.5, 10.38) [0.2433, 0.5172, 0.5112]\n", + " PeriodicSite: P (15.35, 0.03276, 0.0939) [0.7557, 0.001606, 0.004627]\n", + " PeriodicSite: P (15.09, 0.3412, 10.52) [0.7427, 0.01679, 0.5177]\n", + " PeriodicSite: P (15.14, 10.12, 19.83) [0.7453, 0.4981, 0.9761]\n", + " PeriodicSite: P (15.18, 9.959, 10.15) [0.7475, 0.4903, 0.4997]\n", + " PeriodicSite: P (5.263, 5.145, 5.345) [0.2591, 0.2533, 0.2631]\n", + " PeriodicSite: P (5.301, 5.144, 15.29) [0.261, 0.2533, 0.7529]\n", + " PeriodicSite: P (5.093, 14.99, 5.105) [0.2507, 0.7379, 0.2513]\n", + " PeriodicSite: P (4.764, 15.58, 15.52) [0.2345, 0.7672, 0.7643]\n", + " PeriodicSite: P (15.46, 5.379, 5.064) [0.7609, 0.2648, 0.2493]\n", + " PeriodicSite: P (15.18, 5.085, 15.27) [0.7471, 0.2503, 0.7519]\n", + " PeriodicSite: P (15.47, 15.19, 5.087) [0.7615, 0.7479, 0.2504]\n", + " PeriodicSite: P (15.32, 15.12, 15.34) [0.7541, 0.7443, 0.7553]\n", + " PeriodicSite: P (20.1, 20.3, 5.243) [0.9895, 0.9993, 0.2581]\n", + " PeriodicSite: P (20.22, 0.6316, 15.04) [0.9955, 0.03109, 0.7403]\n", + " PeriodicSite: P (0.04282, 10.05, 5.298) [0.002105, 0.4947, 0.2608]\n", + " PeriodicSite: P (20.31, 10.01, 15.52) [0.9998, 0.493, 0.764]\n", + " PeriodicSite: P (10.15, 0.1259, 4.884) [0.4998, 0.006193, 0.2404]\n", + " PeriodicSite: P (9.768, 0.04257, 15.33) [0.4809, 0.002092, 0.7545]\n", + " PeriodicSite: P (10.27, 9.845, 4.865) [0.5056, 0.4847, 0.2395]\n", + " PeriodicSite: P (9.986, 10.17, 15.16) [0.4916, 0.5008, 0.7464]\n", + " PeriodicSite: P (0.2809, 5.253, 0.683) [0.01383, 0.2586, 0.03363]\n", + " PeriodicSite: P (0.213, 5.089, 9.844) [0.01049, 0.2506, 0.4846]\n", + " PeriodicSite: P (20.21, 15.1, 20.21) [0.9948, 0.7432, 0.9949]\n", + " PeriodicSite: P (19.95, 15.43, 10.31) [0.9822, 0.7596, 0.5075]\n", + " PeriodicSite: P (10.33, 5.042, 20.2) [0.5086, 0.2482, 0.9944]\n", + " PeriodicSite: P (10.0, 4.981, 9.722) [0.4923, 0.2452, 0.4786]\n", + " PeriodicSite: P (10.13, 15.1, 0.1386) [0.4986, 0.7433, 0.006829]\n", + " PeriodicSite: P (10.14, 15.16, 9.98) [0.4993, 0.7464, 0.4913],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.124, 4.23, 5.713) [0.1046, 0.2083, 0.2813]\n", + " PeriodicSite: Li (0.1691, 3.147, 17.33) [0.008328, 0.1549, 0.8532]\n", + " PeriodicSite: Li (3.086, 13.34, 10.15) [0.1519, 0.6566, 0.4999]\n", + " PeriodicSite: Li (1.822, 15.18, 16.79) [0.08968, 0.7475, 0.8265]\n", + " PeriodicSite: Li (15.14, 1.086, 7.232) [0.7455, 0.05347, 0.3561]\n", + " PeriodicSite: Li (11.89, 4.995, 16.43) [0.5854, 0.2459, 0.8089]\n", + " PeriodicSite: Li (15.94, 12.3, 4.305) [0.7846, 0.6058, 0.212]\n", + " PeriodicSite: Li (16.26, 9.359, 17.08) [0.8007, 0.4608, 0.8411]\n", + " PeriodicSite: Li (3.578, 4.836, 8.352) [0.1761, 0.2381, 0.4112]\n", + " PeriodicSite: Li (4.098, 0.6113, 17.51) [0.2017, 0.03009, 0.862]\n", + " PeriodicSite: Li (4.311, 8.498, 6.254) [0.2122, 0.4184, 0.3079]\n", + " PeriodicSite: Li (6.271, 11.11, 13.44) [0.3087, 0.5467, 0.6616]\n", + " PeriodicSite: Li (12.51, 4.607, 6.005) [0.616, 0.2268, 0.2956]\n", + " PeriodicSite: Li (13.98, 6.759, 19.71) [0.6883, 0.3328, 0.9703]\n", + " PeriodicSite: Li (12.02, 9.843, 11.8) [0.5919, 0.4846, 0.5811]\n", + " PeriodicSite: Li (9.902, 17.66, 17.92) [0.4875, 0.8693, 0.8825]\n", + " PeriodicSite: Li (2.816, 20.26, 6.58) [0.1386, 0.9972, 0.3239]\n", + " PeriodicSite: Li (2.751, 2.869, 15.93) [0.1354, 0.1412, 0.7841]\n", + " PeriodicSite: Li (4.135, 12.0, 6.028) [0.2035, 0.5907, 0.2968]\n", + " PeriodicSite: Li (4.902, 12.44, 16.46) [0.2413, 0.6126, 0.8101]\n", + " PeriodicSite: Li (12.25, 0.3957, 8.353) [0.6033, 0.01947, 0.4113]\n", + " PeriodicSite: Li (10.52, 1.486, 18.33) [0.5177, 0.07315, 0.9024]\n", + " PeriodicSite: Li (13.44, 13.55, 9.874) [0.6617, 0.6672, 0.4861]\n", + " PeriodicSite: Li (10.59, 13.43, 17.47) [0.5214, 0.6614, 0.8602]\n", + " PeriodicSite: Li (0.202, 2.53, 7.121) [0.009943, 0.1246, 0.3506]\n", + " PeriodicSite: Li (0.8418, 2.274, 20.12) [0.04145, 0.112, 0.9904]\n", + " PeriodicSite: Li (0.3695, 12.6, 8.516) [0.01819, 0.6202, 0.4193]\n", + " PeriodicSite: Li (4.074, 12.75, 19.81) [0.2006, 0.6277, 0.9755]\n", + " PeriodicSite: Li (13.32, 1.848, 4.838) [0.6559, 0.09097, 0.2382]\n", + " PeriodicSite: Li (13.4, 0.1053, 17.09) [0.6599, 0.005181, 0.8416]\n", + " PeriodicSite: Li (10.71, 10.88, 8.421) [0.5272, 0.5356, 0.4146]\n", + " PeriodicSite: Li (13.92, 15.34, 18.84) [0.6851, 0.755, 0.9277]\n", + " PeriodicSite: Li (4.923, 1.883, 6.244) [0.2424, 0.09272, 0.3074]\n", + " PeriodicSite: Li (2.154, 19.29, 0.7491) [0.106, 0.9496, 0.03688]\n", + " PeriodicSite: Li (5.159, 13.73, 7.991) [0.254, 0.6761, 0.3934]\n", + " PeriodicSite: Li (0.4923, 17.85, 14.48) [0.02423, 0.8787, 0.7128]\n", + " PeriodicSite: Li (15.3, 3.802, 8.231) [0.753, 0.1872, 0.4052]\n", + " PeriodicSite: Li (13.49, 3.271, 20.04) [0.6643, 0.161, 0.9866]\n", + " PeriodicSite: Li (16.6, 15.54, 8.097) [0.8175, 0.7651, 0.3986]\n", + " PeriodicSite: Li (13.61, 14.01, 1.071) [0.6701, 0.6895, 0.05274]\n", + " PeriodicSite: Li (5.386, 1.143, 3.239) [0.2651, 0.05626, 0.1595]\n", + " PeriodicSite: Li (4.225, 2.735, 19.87) [0.208, 0.1347, 0.9784]\n", + " PeriodicSite: Li (1.963, 13.78, 5.613) [0.09664, 0.6782, 0.2763]\n", + " PeriodicSite: Li (19.97, 11.0, 2.55) [0.9833, 0.5415, 0.1256]\n", + " PeriodicSite: Li (10.57, 2.659, 6.943) [0.5204, 0.1309, 0.3418]\n", + " PeriodicSite: Li (17.16, 0.266, 16.89) [0.8447, 0.01309, 0.8313]\n", + " PeriodicSite: Li (15.07, 12.15, 7.186) [0.7417, 0.5982, 0.3538]\n", + " PeriodicSite: Li (14.97, 12.62, 16.53) [0.7368, 0.6211, 0.8136]\n", + " PeriodicSite: Li (2.877, 10.52, 16.83) [0.1416, 0.5178, 0.8283]\n", + " PeriodicSite: Li (2.06, 10.42, 8.159) [0.1014, 0.513, 0.4017]\n", + " PeriodicSite: Li (3.572, 15.9, 18.99) [0.1759, 0.7827, 0.9349]\n", + " PeriodicSite: Li (1.924, 1.71, 9.362) [0.09472, 0.08417, 0.4609]\n", + " PeriodicSite: Li (13.78, 5.702, 2.007) [0.6784, 0.2807, 0.09883]\n", + " PeriodicSite: Li (13.06, 10.5, 16.69) [0.6428, 0.517, 0.8217]\n", + " PeriodicSite: Li (11.86, 14.7, 6.728) [0.5839, 0.7236, 0.3313]\n", + " PeriodicSite: Li (14.83, 18.71, 13.18) [0.7299, 0.9213, 0.6487]\n", + " PeriodicSite: Li (3.87, 6.983, 0.665) [0.1905, 0.3438, 0.03274]\n", + " PeriodicSite: Li (3.021, 5.199, 11.59) [0.1487, 0.256, 0.5707]\n", + " PeriodicSite: Li (4.674, 17.38, 1.24) [0.2301, 0.8557, 0.06104]\n", + " PeriodicSite: Li (3.975, 18.22, 14.58) [0.1957, 0.8971, 0.7176]\n", + " PeriodicSite: Li (16.91, 6.846, 0.2333) [0.8324, 0.337, 0.01149]\n", + " PeriodicSite: Li (10.82, 6.25, 12.41) [0.5327, 0.3077, 0.6109]\n", + " PeriodicSite: Li (12.62, 17.88, 4.542) [0.6214, 0.8805, 0.2236]\n", + " PeriodicSite: Li (10.5, 17.66, 12.82) [0.5169, 0.8696, 0.6311]\n", + " PeriodicSite: Li (0.2335, 8.158, 1.419) [0.01149, 0.4016, 0.06984]\n", + " PeriodicSite: Li (4.629, 7.508, 10.6) [0.2279, 0.3696, 0.522]\n", + " PeriodicSite: Li (2.861, 15.38, 1.829) [0.1408, 0.757, 0.09006]\n", + " PeriodicSite: Li (3.124, 17.5, 10.61) [0.1538, 0.8617, 0.5223]\n", + " PeriodicSite: Li (11.34, 9.706, 1.694) [0.5584, 0.4778, 0.08338]\n", + " PeriodicSite: Li (12.37, 7.589, 14.69) [0.6092, 0.3736, 0.7231]\n", + " PeriodicSite: Li (12.2, 15.61, 3.165) [0.6007, 0.7685, 0.1558]\n", + " PeriodicSite: Li (13.59, 15.24, 12.2) [0.6691, 0.75, 0.6006]\n", + " PeriodicSite: Li (1.08, 7.152, 4.55) [0.05319, 0.3521, 0.224]\n", + " PeriodicSite: Li (17.52, 4.982, 10.77) [0.8626, 0.2453, 0.5301]\n", + " PeriodicSite: Li (0.9215, 17.46, 4.451) [0.04536, 0.8597, 0.2191]\n", + " PeriodicSite: Li (0.06271, 18.42, 11.33) [0.003082, 0.9066, 0.5579]\n", + " PeriodicSite: Li (10.53, 6.951, 2.947) [0.5185, 0.3422, 0.1451]\n", + " PeriodicSite: Li (14.14, 9.064, 13.35) [0.6962, 0.4462, 0.6571]\n", + " PeriodicSite: Li (13.28, 17.35, 0.0802) [0.654, 0.8544, 0.003953]\n", + " PeriodicSite: Li (8.191, 16.08, 15.42) [0.4032, 0.7917, 0.7593]\n", + " PeriodicSite: Li (4.901, 8.11, 3.32) [0.2413, 0.3993, 0.1634]\n", + " PeriodicSite: Li (1.735, 8.579, 10.56) [0.08543, 0.4223, 0.5199]\n", + " PeriodicSite: Li (0.2434, 17.91, 1.984) [0.01198, 0.882, 0.09768]\n", + " PeriodicSite: Li (2.765, 20.04, 13.37) [0.1361, 0.9867, 0.6584]\n", + " PeriodicSite: Li (14.37, 10.15, 2.892) [0.7077, 0.4995, 0.1424]\n", + " PeriodicSite: Li (13.16, 6.937, 10.34) [0.6477, 0.3415, 0.5093]\n", + " PeriodicSite: Li (11.69, 20.28, 1.492) [0.5755, 0.9986, 0.07347]\n", + " PeriodicSite: Li (13.56, 16.81, 9.582) [0.6678, 0.8275, 0.4718]\n", + " PeriodicSite: Li (5.333, 4.059, 2.334) [0.2625, 0.1998, 0.1149]\n", + " PeriodicSite: Li (4.244, 7.633, 14.52) [0.2089, 0.3758, 0.715]\n", + " PeriodicSite: Li (4.499, 17.52, 3.935) [0.2215, 0.8624, 0.1937]\n", + " PeriodicSite: Li (2.004, 15.62, 13.41) [0.09867, 0.769, 0.6602]\n", + " PeriodicSite: Li (12.8, 11.21, 5.585) [0.6301, 0.552, 0.275]\n", + " PeriodicSite: Li (15.16, 6.73, 12.28) [0.7464, 0.3313, 0.6048]\n", + " PeriodicSite: Li (14.86, 16.93, 2.085) [0.7315, 0.8334, 0.1026]\n", + " PeriodicSite: Li (14.56, 2.233, 16.25) [0.7168, 0.1099, 0.8002]\n", + " PeriodicSite: Li (9.842, 3.419, 3.132) [0.4845, 0.1683, 0.1542]\n", + " PeriodicSite: Li (9.304, 3.435, 13.3) [0.4581, 0.1691, 0.6545]\n", + " PeriodicSite: Li (6.923, 9.726, 2.969) [0.3408, 0.4788, 0.1462]\n", + " PeriodicSite: Li (3.32, 10.38, 13.93) [0.1634, 0.5111, 0.6859]\n", + " PeriodicSite: Li (16.75, 1.868, 4.825) [0.8249, 0.09194, 0.2376]\n", + " PeriodicSite: Li (13.0, 4.079, 9.472) [0.6399, 0.2008, 0.4663]\n", + " PeriodicSite: Li (18.25, 11.89, 0.6355) [0.8986, 0.5854, 0.03129]\n", + " PeriodicSite: Li (17.18, 10.37, 13.25) [0.8458, 0.5106, 0.6525]\n", + " PeriodicSite: Li (7.137, 19.25, 5.467) [0.3514, 0.9478, 0.2692]\n", + " PeriodicSite: Li (5.749, 2.399, 14.52) [0.283, 0.1181, 0.7148]\n", + " PeriodicSite: Li (7.659, 11.49, 0.5633) [0.377, 0.5658, 0.02773]\n", + " PeriodicSite: Li (10.09, 13.46, 13.58) [0.4967, 0.6628, 0.6683]\n", + " PeriodicSite: Li (14.58, 19.88, 2.793) [0.7177, 0.9785, 0.1375]\n", + " PeriodicSite: Li (0.1077, 1.061, 11.88) [0.005307, 0.05223, 0.5851]\n", + " PeriodicSite: Li (18.58, 13.2, 5.136) [0.9147, 0.6498, 0.2529]\n", + " PeriodicSite: Li (16.4, 14.95, 12.38) [0.8072, 0.7362, 0.6095]\n", + " PeriodicSite: Li (8.764, 5.569, 6.589) [0.4315, 0.2741, 0.3244]\n", + " PeriodicSite: Li (8.811, 1.146, 12.64) [0.4338, 0.05641, 0.6224]\n", + " PeriodicSite: Li (9.509, 13.59, 3.698) [0.4681, 0.669, 0.182]\n", + " PeriodicSite: Li (6.959, 13.52, 10.4) [0.3426, 0.6658, 0.512]\n", + " PeriodicSite: Li (20.06, 3.421, 3.075) [0.9874, 0.1684, 0.1514]\n", + " PeriodicSite: Li (18.82, 3.731, 14.62) [0.9266, 0.1837, 0.7197]\n", + " PeriodicSite: Li (17.06, 14.34, 1.982) [0.84, 0.7061, 0.09757]\n", + " PeriodicSite: Li (15.02, 12.14, 13.27) [0.7397, 0.5979, 0.6534]\n", + " PeriodicSite: Li (3.096, 19.78, 3.413) [0.1524, 0.9738, 0.168]\n", + " PeriodicSite: Li (5.282, 0.5855, 12.65) [0.2601, 0.02882, 0.623]\n", + " PeriodicSite: Li (5.249, 12.29, 2.673) [0.2584, 0.6049, 0.1316]\n", + " PeriodicSite: Li (7.893, 7.285, 15.39) [0.3886, 0.3587, 0.7577]\n", + " PeriodicSite: Li (18.06, 4.707, 3.628) [0.889, 0.2317, 0.1786]\n", + " PeriodicSite: Li (17.03, 0.2541, 13.66) [0.8385, 0.0125, 0.6725]\n", + " PeriodicSite: Li (16.69, 14.08, 19.12) [0.8214, 0.6931, 0.9412]\n", + " PeriodicSite: Li (19.91, 12.03, 12.55) [0.9801, 0.5922, 0.6178]\n", + " PeriodicSite: Li (7.218, 3.614, 0.0103) [0.3554, 0.1779, 0.0005095]\n", + " PeriodicSite: Li (5.454, 2.868, 10.46) [0.2685, 0.1412, 0.5152]\n", + " PeriodicSite: Li (9.703, 11.99, 1.447) [0.4777, 0.5904, 0.07122]\n", + " PeriodicSite: Li (9.123, 11.3, 12.12) [0.4492, 0.5564, 0.5965]\n", + " PeriodicSite: Li (15.31, 2.708, 2.137) [0.7539, 0.1333, 0.1052]\n", + " PeriodicSite: Li (15.7, 3.072, 11.46) [0.7728, 0.1513, 0.5643]\n", + " PeriodicSite: Li (0.3045, 12.47, 17.64) [0.01499, 0.6139, 0.8685]\n", + " PeriodicSite: Li (19.02, 14.35, 13.33) [0.9362, 0.7063, 0.6562]\n", + " PeriodicSite: Li (7.981, 0.7396, 1.629) [0.3929, 0.03641, 0.08018]\n", + " PeriodicSite: Li (8.099, 2.171, 10.02) [0.3987, 0.1069, 0.4931]\n", + " PeriodicSite: Li (7.017, 11.78, 4.755) [0.3455, 0.58, 0.2341]\n", + " PeriodicSite: Li (4.94, 15.8, 12.43) [0.2432, 0.778, 0.6118]\n", + " PeriodicSite: Li (17.62, 3.783, 0.703) [0.8673, 0.1862, 0.03461]\n", + " PeriodicSite: Li (0.3992, 7.213, 13.34) [0.01965, 0.3551, 0.6566]\n", + " PeriodicSite: Li (2.727, 15.24, 8.265) [0.1342, 0.7503, 0.4069]\n", + " PeriodicSite: Li (16.69, 13.09, 10.34) [0.8219, 0.6444, 0.5091]\n", + " PeriodicSite: Li (13.89, 7.934, 5.271) [0.684, 0.3906, 0.2595]\n", + " PeriodicSite: Li (5.193, 8.302, 17.25) [0.2556, 0.4087, 0.849]\n", + " PeriodicSite: Li (6.067, 17.43, 9.166) [0.2987, 0.8582, 0.4512]\n", + " PeriodicSite: Li (6.879, 15.23, 18.86) [0.3386, 0.7496, 0.9284]\n", + " PeriodicSite: Li (16.59, 9.312, 7.145) [0.8166, 0.4584, 0.3517]\n", + " PeriodicSite: Li (2.964, 4.736, 18.59) [0.1459, 0.2332, 0.9151]\n", + " PeriodicSite: Li (16.96, 18.49, 4.868) [0.8348, 0.9105, 0.2397]\n", + " PeriodicSite: Li (20.25, 19.19, 18.31) [0.9971, 0.9448, 0.9015]\n", + " PeriodicSite: Li (7.292, 9.184, 5.701) [0.359, 0.4521, 0.2807]\n", + " PeriodicSite: Li (8.507, 5.267, 17.29) [0.4188, 0.2593, 0.8513]\n", + " PeriodicSite: Li (8.383, 20.04, 8.436) [0.4127, 0.9866, 0.4153]\n", + " PeriodicSite: Li (6.801, 19.41, 15.5) [0.3348, 0.9556, 0.7633]\n", + " PeriodicSite: Li (18.19, 8.082, 10.41) [0.8956, 0.3979, 0.5125]\n", + " PeriodicSite: Li (18.28, 6.686, 15.93) [0.8997, 0.3292, 0.7845]\n", + " PeriodicSite: Li (18.39, 19.98, 8.091) [0.9052, 0.9838, 0.3983]\n", + " PeriodicSite: Li (17.98, 16.02, 16.72) [0.885, 0.7886, 0.8232]\n", + " PeriodicSite: Li (6.508, 5.529, 8.429) [0.3204, 0.2722, 0.415]\n", + " PeriodicSite: Li (6.0, 5.481, 18.28) [0.2954, 0.2698, 0.9]\n", + " PeriodicSite: Li (9.329, 17.97, 9.278) [0.4593, 0.8845, 0.4568]\n", + " PeriodicSite: Li (12.47, 14.77, 16.0) [0.614, 0.7271, 0.7878]\n", + " PeriodicSite: Li (19.93, 8.566, 8.051) [0.9809, 0.4217, 0.3963]\n", + " PeriodicSite: Li (0.01074, 7.051, 17.72) [0.0005305, 0.3471, 0.8722]\n", + " PeriodicSite: Li (17.05, 17.2, 10.16) [0.8394, 0.8469, 0.5003]\n", + " PeriodicSite: Li (16.75, 17.62, 19.87) [0.8247, 0.8674, 0.9781]\n", + " PeriodicSite: Li (8.536, 8.271, 9.72) [0.4202, 0.4072, 0.4785]\n", + " PeriodicSite: Li (6.777, 6.757, 20.2) [0.3337, 0.3327, 0.9943]\n", + " PeriodicSite: Li (5.109, 18.5, 6.721) [0.2515, 0.9108, 0.3309]\n", + " PeriodicSite: Li (6.874, 14.5, 1.414) [0.3384, 0.714, 0.06964]\n", + " PeriodicSite: Li (15.91, 6.837, 8.992) [0.7834, 0.3366, 0.4427]\n", + " PeriodicSite: Li (18.72, 9.821, 18.94) [0.9216, 0.4835, 0.9322]\n", + " PeriodicSite: Li (15.21, 18.74, 6.905) [0.7486, 0.9224, 0.3399]\n", + " PeriodicSite: Li (15.7, 18.18, 17.06) [0.773, 0.8951, 0.84]\n", + " PeriodicSite: Li (6.728, 4.949, 11.8) [0.3312, 0.2437, 0.5811]\n", + " PeriodicSite: Li (7.129, 9.87, 16.18) [0.351, 0.4859, 0.7963]\n", + " PeriodicSite: Li (9.388, 17.5, 5.606) [0.4622, 0.8614, 0.276]\n", + " PeriodicSite: Li (10.31, 17.41, 2.354) [0.5073, 0.8572, 0.1159]\n", + " PeriodicSite: Li (17.03, 8.962, 4.402) [0.8382, 0.4412, 0.2167]\n", + " PeriodicSite: Li (15.11, 4.802, 18.17) [0.7438, 0.2364, 0.8948]\n", + " PeriodicSite: Li (19.4, 17.1, 7.533) [0.9551, 0.8417, 0.3709]\n", + " PeriodicSite: Li (18.01, 0.4399, 1.637) [0.8867, 0.02165, 0.08062]\n", + " PeriodicSite: Li (2.934, 10.05, 3.382) [0.1444, 0.4949, 0.1665]\n", + " PeriodicSite: Li (9.417, 8.344, 18.52) [0.4636, 0.4108, 0.912]\n", + " PeriodicSite: Li (8.319, 15.42, 7.601) [0.4095, 0.759, 0.3742]\n", + " PeriodicSite: Li (7.584, 19.42, 18.82) [0.3734, 0.956, 0.9263]\n", + " PeriodicSite: Li (18.41, 5.338, 7.573) [0.9064, 0.2628, 0.3728]\n", + " PeriodicSite: Li (17.14, 12.28, 15.15) [0.8438, 0.6045, 0.7457]\n", + " PeriodicSite: Li (19.66, 14.4, 2.697) [0.9678, 0.7091, 0.1328]\n", + " PeriodicSite: Li (13.95, 1.245, 13.76) [0.6866, 0.06128, 0.6775]\n", + " PeriodicSite: Cl (7.802, 12.94, 12.87) [0.3841, 0.6372, 0.6335]\n", + " PeriodicSite: Cl (2.694, 12.87, 17.67) [0.1326, 0.6337, 0.87]\n", + " PeriodicSite: Cl (12.75, 17.36, 12.41) [0.6275, 0.8549, 0.611]\n", + " PeriodicSite: Cl (17.96, 7.65, 18.28) [0.884, 0.3766, 0.9002]\n", + " PeriodicSite: Cl (7.466, 2.635, 2.179) [0.3676, 0.1297, 0.1073]\n", + " PeriodicSite: Cl (7.386, 7.526, 7.555) [0.3636, 0.3705, 0.372]\n", + " PeriodicSite: Cl (12.7, 12.52, 7.446) [0.6252, 0.6162, 0.3666]\n", + " PeriodicSite: Cl (2.686, 7.566, 2.904) [0.1322, 0.3725, 0.143]\n", + " PeriodicSite: Cl (2.72, 7.345, 12.54) [0.1339, 0.3616, 0.6173]\n", + " PeriodicSite: Cl (12.95, 12.88, 17.57) [0.6373, 0.6342, 0.8649]\n", + " PeriodicSite: Cl (17.73, 18.11, 18.04) [0.873, 0.8917, 0.8883]\n", + " PeriodicSite: Cl (2.531, 2.626, 7.406) [0.1246, 0.1293, 0.3646]\n", + " PeriodicSite: Cl (12.8, 2.409, 17.82) [0.6301, 0.1186, 0.8773]\n", + " PeriodicSite: Cl (12.89, 8.085, 2.668) [0.6344, 0.398, 0.1314]\n", + " PeriodicSite: Cl (17.54, 2.933, 13.0) [0.8637, 0.1444, 0.6399]\n", + " PeriodicSite: Cl (7.637, 17.14, 17.78) [0.376, 0.8438, 0.8752]\n", + " PeriodicSite: Cl (0.2325, 20.25, 0.2518) [0.01144, 0.9969, 0.0124]\n", + " PeriodicSite: Cl (0.4568, 20.1, 9.988) [0.02248, 0.9896, 0.4917]\n", + " PeriodicSite: Cl (20.21, 10.48, 0.2477) [0.9948, 0.5157, 0.0122]\n", + " PeriodicSite: Cl (0.09786, 10.13, 9.638) [0.004816, 0.4985, 0.4745]\n", + " PeriodicSite: Cl (9.694, 20.31, 20.09) [0.4772, 0.9999, 0.9893]\n", + " PeriodicSite: Cl (10.0, 0.1218, 9.948) [0.4923, 0.005993, 0.4897]\n", + " PeriodicSite: Cl (9.943, 10.09, 0.1195) [0.4895, 0.4967, 0.005887]\n", + " PeriodicSite: Cl (10.13, 9.881, 10.44) [0.4988, 0.4865, 0.5138]\n", + " PeriodicSite: Cl (0.008597, 4.723, 4.89) [0.0004224, 0.2325, 0.2408]\n", + " PeriodicSite: Cl (20.07, 5.192, 16.05) [0.9882, 0.2556, 0.7903]\n", + " PeriodicSite: Cl (0.06942, 15.17, 5.154) [0.003412, 0.7469, 0.2537]\n", + " PeriodicSite: Cl (0.03055, 15.49, 15.23) [0.001501, 0.7627, 0.7499]\n", + " PeriodicSite: Cl (10.52, 5.174, 4.813) [0.5179, 0.2547, 0.2369]\n", + " PeriodicSite: Cl (9.936, 5.285, 14.88) [0.4891, 0.2602, 0.7324]\n", + " PeriodicSite: Cl (10.52, 15.36, 4.889) [0.5181, 0.7562, 0.2407]\n", + " PeriodicSite: Cl (10.38, 15.11, 15.19) [0.5111, 0.7438, 0.7476]\n", + " PeriodicSite: S (4.672, 19.89, 5.089) [0.23, 0.9792, 0.2505]\n", + " PeriodicSite: S (4.768, 0.1128, 14.9) [0.2347, 0.005555, 0.7334]\n", + " PeriodicSite: S (5.165, 10.04, 4.699) [0.2543, 0.4941, 0.2313]\n", + " PeriodicSite: S (4.893, 10.04, 15.58) [0.2409, 0.4944, 0.7669]\n", + " PeriodicSite: S (15.36, 20.15, 5.252) [0.7564, 0.9921, 0.2586]\n", + " PeriodicSite: S (15.01, 20.19, 15.34) [0.7389, 0.9938, 0.7554]\n", + " PeriodicSite: S (15.22, 10.17, 5.174) [0.7493, 0.5005, 0.2547]\n", + " PeriodicSite: S (15.24, 10.65, 15.26) [0.7501, 0.5245, 0.7513]\n", + " PeriodicSite: S (5.156, 5.006, 0.02265) [0.2538, 0.2464, 0.001117]\n", + " PeriodicSite: S (4.95, 5.228, 10.05) [0.2437, 0.2574, 0.495]\n", + " PeriodicSite: S (5.216, 15.2, 0.1396) [0.2568, 0.7483, 0.006876]\n", + " PeriodicSite: S (4.52, 15.38, 9.902) [0.2225, 0.7574, 0.4875]\n", + " PeriodicSite: S (15.17, 5.038, 0.1837) [0.747, 0.248, 0.00905]\n", + " PeriodicSite: S (15.06, 5.159, 10.4) [0.7416, 0.254, 0.5122]\n", + " PeriodicSite: S (15.33, 15.49, 0.2219) [0.7545, 0.7626, 0.01093]\n", + " PeriodicSite: S (15.22, 15.27, 10.36) [0.7491, 0.7515, 0.5102]\n", + " PeriodicSite: S (9.078, 3.966, 8.166) [0.4469, 0.1953, 0.402]\n", + " PeriodicSite: S (9.266, 3.639, 18.85) [0.4562, 0.1792, 0.9281]\n", + " PeriodicSite: S (8.825, 13.92, 9.248) [0.4345, 0.6853, 0.4553]\n", + " PeriodicSite: S (8.861, 13.63, 19.47) [0.4362, 0.671, 0.9586]\n", + " PeriodicSite: S (19.21, 3.821, 8.958) [0.9457, 0.1881, 0.441]\n", + " PeriodicSite: S (19.53, 3.925, 19.38) [0.9613, 0.1932, 0.9541]\n", + " PeriodicSite: S (18.92, 14.32, 8.938) [0.9313, 0.7051, 0.44]\n", + " PeriodicSite: S (18.92, 14.48, 18.73) [0.9316, 0.7127, 0.9222]\n", + " PeriodicSite: S (3.722, 0.9925, 1.469) [0.1832, 0.04886, 0.07234]\n", + " PeriodicSite: S (3.882, 1.037, 10.69) [0.1911, 0.05103, 0.5261]\n", + " PeriodicSite: S (3.71, 11.15, 1.266) [0.1826, 0.5488, 0.06233]\n", + " PeriodicSite: S (4.043, 11.64, 11.79) [0.199, 0.5731, 0.5803]\n", + " PeriodicSite: S (13.81, 1.044, 1.012) [0.6798, 0.05141, 0.04982]\n", + " PeriodicSite: S (13.96, 1.133, 11.34) [0.6873, 0.05575, 0.5584]\n", + " PeriodicSite: S (13.96, 11.6, 1.052) [0.6872, 0.571, 0.05179]\n", + " PeriodicSite: S (13.88, 11.59, 11.32) [0.6832, 0.5704, 0.5575]\n", + " PeriodicSite: S (6.065, 1.107, 8.31) [0.2986, 0.05449, 0.4091]\n", + " PeriodicSite: S (6.089, 1.247, 19.25) [0.2998, 0.06141, 0.9476]\n", + " PeriodicSite: S (5.997, 11.6, 9.114) [0.2952, 0.5708, 0.4487]\n", + " PeriodicSite: S (6.012, 11.01, 19.1) [0.296, 0.5421, 0.9401]\n", + " PeriodicSite: S (16.5, 1.421, 9.091) [0.8122, 0.06994, 0.4476]\n", + " PeriodicSite: S (16.69, 1.028, 19.28) [0.8216, 0.0506, 0.9492]\n", + " PeriodicSite: S (16.36, 11.32, 8.991) [0.8054, 0.5575, 0.4426]\n", + " PeriodicSite: S (16.46, 11.48, 18.95) [0.8103, 0.565, 0.9329]\n", + " PeriodicSite: S (1.643, 4.066, 1.458) [0.08089, 0.2002, 0.07178]\n", + " PeriodicSite: S (1.408, 3.493, 11.16) [0.0693, 0.172, 0.5492]\n", + " PeriodicSite: S (0.8901, 13.98, 0.8922) [0.04382, 0.6884, 0.04393]\n", + " PeriodicSite: S (1.063, 14.08, 11.3) [0.05232, 0.6933, 0.5561]\n", + " PeriodicSite: S (11.49, 3.937, 1.115) [0.5658, 0.1938, 0.05491]\n", + " PeriodicSite: S (10.79, 3.665, 11.15) [0.5313, 0.1804, 0.5488]\n", + " PeriodicSite: S (11.21, 14.08, 1.458) [0.5519, 0.6931, 0.07176]\n", + " PeriodicSite: S (11.4, 13.75, 11.28) [0.5614, 0.677, 0.5555]\n", + " PeriodicSite: S (2.615, 2.394, 18.07) [0.1288, 0.1178, 0.8898]\n", + " PeriodicSite: S (2.581, 12.82, 7.768) [0.1271, 0.631, 0.3824]\n", + " PeriodicSite: S (13.14, 2.515, 7.291) [0.6468, 0.1238, 0.3589]\n", + " PeriodicSite: S (8.987, 8.552, 3.959) [0.4424, 0.421, 0.1949]\n", + " PeriodicSite: S (8.447, 9.265, 14.04) [0.4159, 0.4561, 0.691]\n", + " PeriodicSite: S (8.878, 19.14, 3.617) [0.4371, 0.9425, 0.1781]\n", + " PeriodicSite: S (8.889, 19.01, 14.09) [0.4376, 0.9357, 0.6936]\n", + " PeriodicSite: S (19.79, 8.938, 3.722) [0.9744, 0.44, 0.1833]\n", + " PeriodicSite: S (18.88, 8.713, 14.35) [0.9295, 0.4289, 0.7063]\n", + " PeriodicSite: S (19.06, 19.15, 3.599) [0.9381, 0.943, 0.1772]\n", + " PeriodicSite: S (19.28, 19.61, 13.65) [0.9492, 0.9653, 0.6722]\n", + " PeriodicSite: S (3.451, 6.007, 6.17) [0.1699, 0.2958, 0.3038]\n", + " PeriodicSite: S (3.916, 6.413, 16.67) [0.1928, 0.3157, 0.8206]\n", + " PeriodicSite: S (4.171, 16.11, 6.365) [0.2053, 0.7932, 0.3134]\n", + " PeriodicSite: S (3.573, 16.72, 16.79) [0.1759, 0.8233, 0.8267]\n", + " PeriodicSite: S (14.43, 6.13, 6.784) [0.7104, 0.3018, 0.334]\n", + " PeriodicSite: S (13.91, 6.26, 16.35) [0.685, 0.3082, 0.805]\n", + " PeriodicSite: S (14.11, 16.33, 6.177) [0.6946, 0.8037, 0.3041]\n", + " PeriodicSite: S (14.37, 16.42, 16.71) [0.7073, 0.8083, 0.8229]\n", + " PeriodicSite: S (5.864, 6.086, 3.917) [0.2887, 0.2996, 0.1929]\n", + " PeriodicSite: S (6.194, 6.719, 13.93) [0.305, 0.3308, 0.6857]\n", + " PeriodicSite: S (6.242, 16.13, 3.758) [0.3073, 0.7942, 0.185]\n", + " PeriodicSite: S (5.974, 16.84, 14.48) [0.2941, 0.8288, 0.7128]\n", + " PeriodicSite: S (16.15, 6.307, 3.862) [0.7948, 0.3105, 0.1901]\n", + " PeriodicSite: S (16.58, 6.382, 14.34) [0.8164, 0.3142, 0.7062]\n", + " PeriodicSite: S (16.76, 16.06, 3.748) [0.8249, 0.7904, 0.1845]\n", + " PeriodicSite: S (16.42, 16.69, 14.2) [0.8085, 0.8217, 0.6992]\n", + " PeriodicSite: S (1.549, 9.139, 6.266) [0.07625, 0.4499, 0.3085]\n", + " PeriodicSite: S (1.285, 8.692, 16.21) [0.06327, 0.4279, 0.7978]\n", + " PeriodicSite: S (0.7497, 18.81, 6.198) [0.0369, 0.9261, 0.3051]\n", + " PeriodicSite: S (1.14, 19.29, 16.33) [0.05614, 0.9497, 0.8041]\n", + " PeriodicSite: S (11.51, 9.151, 6.17) [0.5664, 0.4505, 0.3037]\n", + " PeriodicSite: S (11.04, 9.21, 16.23) [0.5437, 0.4534, 0.799]\n", + " PeriodicSite: S (11.25, 19.4, 5.895) [0.5538, 0.9551, 0.2902]\n", + " PeriodicSite: S (11.19, 19.4, 16.68) [0.5508, 0.955, 0.8214]\n", + " PeriodicSite: S (2.603, 17.71, 2.639) [0.1282, 0.872, 0.1299]\n", + " PeriodicSite: S (2.19, 17.92, 12.86) [0.1078, 0.8821, 0.6329]\n", + " PeriodicSite: S (12.76, 7.554, 12.45) [0.6282, 0.3719, 0.6129]\n", + " PeriodicSite: S (12.57, 18.03, 2.235) [0.6188, 0.8875, 0.11]\n", + " PeriodicSite: S (4.022, 3.237, 4.363) [0.198, 0.1593, 0.2148]\n", + " PeriodicSite: S (3.949, 4.232, 14.19) [0.1944, 0.2083, 0.6986]\n", + " PeriodicSite: S (3.896, 13.58, 4.074) [0.1918, 0.6685, 0.2006]\n", + " PeriodicSite: S (3.799, 14.22, 14.64) [0.187, 0.7002, 0.7205]\n", + " PeriodicSite: S (14.18, 3.885, 3.987) [0.6981, 0.1913, 0.1963]\n", + " PeriodicSite: S (14.01, 4.023, 14.18) [0.6897, 0.198, 0.698]\n", + " PeriodicSite: S (13.95, 14.21, 3.844) [0.6866, 0.6998, 0.1893]\n", + " PeriodicSite: S (14.04, 14.14, 14.2) [0.691, 0.6961, 0.6991]\n", + " PeriodicSite: S (8.876, 1.316, 5.792) [0.437, 0.06476, 0.2851]\n", + " PeriodicSite: S (8.498, 0.8169, 16.78) [0.4184, 0.04021, 0.826]\n", + " PeriodicSite: S (8.832, 11.12, 6.34) [0.4348, 0.5476, 0.3121]\n", + " PeriodicSite: S (9.095, 11.93, 16.23) [0.4478, 0.5873, 0.7989]\n", + " PeriodicSite: S (18.85, 1.061, 6.191) [0.9279, 0.05224, 0.3048]\n", + " PeriodicSite: S (19.01, 1.462, 16.16) [0.9361, 0.07196, 0.7956]\n", + " PeriodicSite: S (19.33, 10.88, 6.381) [0.9516, 0.5356, 0.3141]\n", + " PeriodicSite: S (18.99, 10.87, 16.77) [0.935, 0.5354, 0.8256]\n", + " PeriodicSite: S (1.319, 1.267, 4.331) [0.06492, 0.06237, 0.2132]\n", + " PeriodicSite: S (1.149, 1.613, 14.1) [0.05656, 0.07939, 0.6941]\n", + " PeriodicSite: S (1.352, 11.71, 4.018) [0.06655, 0.5763, 0.1978]\n", + " PeriodicSite: S (0.9534, 11.56, 14.53) [0.04694, 0.569, 0.7153]\n", + " PeriodicSite: S (11.32, 1.313, 3.498) [0.5574, 0.06464, 0.1722]\n", + " PeriodicSite: S (10.79, 1.413, 14.09) [0.5312, 0.06954, 0.6938]\n", + " PeriodicSite: S (11.13, 11.17, 3.525) [0.5481, 0.55, 0.1735]\n", + " PeriodicSite: S (11.12, 11.25, 13.66) [0.5475, 0.554, 0.6727]\n", + " PeriodicSite: S (6.177, 4.062, 6.621) [0.3041, 0.2, 0.3259]\n", + " PeriodicSite: S (6.518, 4.076, 16.27) [0.3209, 0.2007, 0.801]\n", + " PeriodicSite: S (6.605, 13.95, 6.142) [0.3252, 0.6868, 0.3024]\n", + " PeriodicSite: S (6.258, 14.35, 16.78) [0.3081, 0.7064, 0.8261]\n", + " PeriodicSite: S (16.85, 3.824, 6.219) [0.8294, 0.1883, 0.3062]\n", + " PeriodicSite: S (16.23, 3.819, 16.55) [0.7989, 0.188, 0.8149]\n", + " PeriodicSite: S (16.37, 13.77, 6.312) [0.806, 0.6778, 0.3108]\n", + " PeriodicSite: S (16.89, 14.17, 16.21) [0.8313, 0.6975, 0.798]\n", + " PeriodicSite: S (7.122, 2.579, 12.26) [0.3506, 0.127, 0.6038]\n", + " PeriodicSite: S (7.604, 12.39, 2.551) [0.3743, 0.6098, 0.1256]\n", + " PeriodicSite: S (17.64, 2.444, 2.541) [0.8682, 0.1203, 0.1251]\n", + " PeriodicSite: S (18.02, 12.41, 2.875) [0.8873, 0.6109, 0.1415]\n", + " PeriodicSite: S (17.66, 12.77, 12.7) [0.8692, 0.6286, 0.6251]\n", + " PeriodicSite: S (3.704, 9.111, 9.335) [0.1823, 0.4486, 0.4595]\n", + " PeriodicSite: S (3.537, 8.807, 19.14) [0.1741, 0.4336, 0.9423]\n", + " PeriodicSite: S (3.67, 18.87, 8.656) [0.1807, 0.9289, 0.4261]\n", + " PeriodicSite: S (4.201, 18.85, 19.46) [0.2068, 0.9281, 0.9578]\n", + " PeriodicSite: S (13.69, 9.088, 9.176) [0.6738, 0.4474, 0.4517]\n", + " PeriodicSite: S (14.36, 9.118, 18.89) [0.707, 0.4489, 0.9299]\n", + " PeriodicSite: S (14.02, 19.21, 8.829) [0.6901, 0.9455, 0.4346]\n", + " PeriodicSite: S (14.2, 19.12, 19.0) [0.699, 0.9414, 0.9353]\n", + " PeriodicSite: S (9.117, 6.372, 0.8213) [0.4488, 0.3137, 0.04044]\n", + " PeriodicSite: S (8.704, 6.081, 10.92) [0.4285, 0.2994, 0.5376]\n", + " PeriodicSite: S (8.723, 16.39, 0.941) [0.4294, 0.8068, 0.04633]\n", + " PeriodicSite: S (9.196, 16.45, 11.2) [0.4527, 0.81, 0.5516]\n", + " PeriodicSite: S (19.04, 6.113, 1.579) [0.9373, 0.3009, 0.07774]\n", + " PeriodicSite: S (19.36, 5.965, 11.61) [0.9533, 0.2936, 0.5717]\n", + " PeriodicSite: S (18.92, 16.36, 1.117) [0.9316, 0.8053, 0.05501]\n", + " PeriodicSite: S (18.96, 16.25, 11.85) [0.9335, 0.7999, 0.5832]\n", + " PeriodicSite: S (1.189, 6.25, 9.151) [0.05852, 0.3077, 0.4505]\n", + " PeriodicSite: S (1.453, 6.621, 19.8) [0.07152, 0.326, 0.975]\n", + " PeriodicSite: S (0.8575, 16.71, 9.411) [0.04221, 0.8228, 0.4633]\n", + " PeriodicSite: S (1.117, 16.79, 19.35) [0.05498, 0.8268, 0.9525]\n", + " PeriodicSite: S (11.49, 6.104, 8.748) [0.5657, 0.3005, 0.4307]\n", + " PeriodicSite: S (11.59, 6.282, 18.85) [0.5707, 0.3093, 0.9278]\n", + " PeriodicSite: S (11.0, 16.26, 8.572) [0.5413, 0.8005, 0.422]\n", + " PeriodicSite: S (11.31, 15.86, 19.04) [0.5569, 0.7808, 0.9371]\n", + " PeriodicSite: S (5.88, 8.522, 1.315) [0.2895, 0.4195, 0.06476]\n", + " PeriodicSite: S (6.28, 9.258, 11.51) [0.3092, 0.4558, 0.5665]\n", + " PeriodicSite: S (6.368, 19.25, 1.602) [0.3135, 0.9476, 0.07886]\n", + " PeriodicSite: S (6.121, 19.09, 10.93) [0.3013, 0.9398, 0.538]\n", + " PeriodicSite: S (16.42, 9.286, 1.237) [0.8083, 0.4571, 0.06091]\n", + " PeriodicSite: S (16.2, 8.972, 11.31) [0.7976, 0.4417, 0.5568]\n", + " PeriodicSite: S (16.12, 19.1, 1.385) [0.7937, 0.9401, 0.06817]\n", + " PeriodicSite: S (16.34, 19.24, 11.31) [0.8042, 0.9471, 0.5568]\n", + " PeriodicSite: S (7.357, 7.456, 17.9) [0.3622, 0.3671, 0.881]\n", + " PeriodicSite: S (7.744, 17.85, 7.379) [0.3812, 0.8788, 0.3633]\n", + " PeriodicSite: S (17.81, 7.539, 8.058) [0.8767, 0.3711, 0.3967]\n", + " PeriodicSite: S (17.23, 17.82, 7.758) [0.8485, 0.8774, 0.3819]\n", + " PeriodicSite: P (5.048, 20.28, 0.1975) [0.2485, 0.9985, 0.009724]\n", + " PeriodicSite: P (5.054, 20.18, 9.558) [0.2488, 0.9936, 0.4706]\n", + " PeriodicSite: P (4.835, 9.888, 0.01713) [0.238, 0.4868, 0.0008452]\n", + " PeriodicSite: P (5.023, 10.43, 10.44) [0.2473, 0.5132, 0.5139]\n", + " PeriodicSite: P (15.31, 20.25, 20.21) [0.7538, 0.997, 0.9949]\n", + " PeriodicSite: P (15.25, 0.06273, 10.04) [0.751, 0.003082, 0.4945]\n", + " PeriodicSite: P (15.22, 10.43, 20.27) [0.7493, 0.5133, 0.998]\n", + " PeriodicSite: P (15.05, 10.32, 10.14) [0.7408, 0.508, 0.499]\n", + " PeriodicSite: P (4.931, 4.859, 5.248) [0.2428, 0.2392, 0.2584]\n", + " PeriodicSite: P (5.189, 5.347, 15.33) [0.2555, 0.2632, 0.7546]\n", + " PeriodicSite: P (5.219, 14.97, 5.017) [0.2569, 0.7368, 0.247]\n", + " PeriodicSite: P (4.944, 15.51, 15.72) [0.2434, 0.7635, 0.7741]\n", + " PeriodicSite: P (15.4, 5.068, 5.292) [0.7582, 0.2495, 0.2606]\n", + " PeriodicSite: P (15.15, 5.03, 15.36) [0.7461, 0.2476, 0.7561]\n", + " PeriodicSite: P (15.32, 15.15, 5.006) [0.7541, 0.7461, 0.2464]\n", + " PeriodicSite: P (15.36, 15.35, 15.25) [0.7563, 0.7557, 0.7508]\n", + " PeriodicSite: P (20.25, 0.02031, 5.044) [0.997, 0.0009909, 0.2483]\n", + " PeriodicSite: P (0.06966, 0.2277, 15.2) [0.003433, 0.01121, 0.7484]\n", + " PeriodicSite: P (0.3667, 10.2, 5.057) [0.01805, 0.5024, 0.2489]\n", + " PeriodicSite: P (20.26, 9.972, 15.32) [0.9976, 0.4909, 0.7544]\n", + " PeriodicSite: P (10.06, 0.0752, 4.669) [0.4954, 0.003698, 0.2299]\n", + " PeriodicSite: P (9.821, 0.1151, 15.46) [0.4835, 0.005661, 0.7609]\n", + " PeriodicSite: P (10.05, 10.09, 5.062) [0.4948, 0.4967, 0.2492]\n", + " PeriodicSite: P (9.884, 10.54, 15.04) [0.4866, 0.5188, 0.7406]\n", + " PeriodicSite: P (0.2666, 5.176, 0.4297) [0.01312, 0.2548, 0.02116]\n", + " PeriodicSite: P (0.2181, 4.828, 10.28) [0.01074, 0.2377, 0.506]\n", + " PeriodicSite: P (20.21, 15.33, 20.16) [0.9952, 0.7549, 0.9927]\n", + " PeriodicSite: P (20.03, 15.25, 10.36) [0.9863, 0.7508, 0.5102]\n", + " PeriodicSite: P (10.36, 5.007, 20.08) [0.5099, 0.2465, 0.9885]\n", + " PeriodicSite: P (10.07, 4.971, 9.764) [0.4958, 0.2447, 0.4807]\n", + " PeriodicSite: P (9.986, 15.11, 0.154) [0.4916, 0.7441, 0.007586]\n", + " PeriodicSite: P (10.16, 15.11, 10.12) [0.5, 0.744, 0.498],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.871, 2.961, 4.739) [0.09212, 0.1458, 0.2333]\n", + " PeriodicSite: Li (0.0649, 3.098, 17.18) [0.003199, 0.1525, 0.8459]\n", + " PeriodicSite: Li (2.89, 13.18, 10.23) [0.1423, 0.6488, 0.5036]\n", + " PeriodicSite: Li (2.204, 15.23, 17.13) [0.1085, 0.7497, 0.8433]\n", + " PeriodicSite: Li (14.52, 0.5341, 7.376) [0.7147, 0.02629, 0.3631]\n", + " PeriodicSite: Li (12.38, 4.463, 16.58) [0.6097, 0.2197, 0.8164]\n", + " PeriodicSite: Li (15.81, 12.09, 3.84) [0.7782, 0.595, 0.189]\n", + " PeriodicSite: Li (15.95, 9.603, 17.51) [0.7854, 0.4728, 0.8621]\n", + " PeriodicSite: Li (3.785, 4.575, 8.474) [0.1864, 0.2252, 0.4172]\n", + " PeriodicSite: Li (3.212, 0.2202, 17.26) [0.1581, 0.01084, 0.8495]\n", + " PeriodicSite: Li (4.482, 8.513, 6.784) [0.2206, 0.4191, 0.334]\n", + " PeriodicSite: Li (6.457, 10.58, 13.63) [0.3179, 0.5207, 0.671]\n", + " PeriodicSite: Li (11.7, 4.56, 6.66) [0.5758, 0.2245, 0.3279]\n", + " PeriodicSite: Li (13.35, 6.767, 0.3407) [0.6571, 0.3331, 0.01678]\n", + " PeriodicSite: Li (11.16, 9.146, 12.1) [0.5492, 0.4502, 0.5957]\n", + " PeriodicSite: Li (9.603, 17.84, 19.11) [0.4727, 0.8785, 0.941]\n", + " PeriodicSite: Li (3.058, 20.28, 6.947) [0.1505, 0.9986, 0.342]\n", + " PeriodicSite: Li (2.482, 2.688, 15.74) [0.1222, 0.1323, 0.7749]\n", + " PeriodicSite: Li (4.525, 12.07, 6.02) [0.2228, 0.5944, 0.2964]\n", + " PeriodicSite: Li (4.881, 12.56, 15.64) [0.2403, 0.6181, 0.7698]\n", + " PeriodicSite: Li (12.34, 1.094, 9.294) [0.6075, 0.05385, 0.4576]\n", + " PeriodicSite: Li (10.46, 1.636, 18.19) [0.5151, 0.08054, 0.8954]\n", + " PeriodicSite: Li (13.47, 13.21, 9.775) [0.663, 0.6506, 0.4812]\n", + " PeriodicSite: Li (10.35, 13.29, 16.95) [0.5094, 0.6543, 0.8346]\n", + " PeriodicSite: Li (0.01469, 3.343, 7.271) [0.0007234, 0.1646, 0.358]\n", + " PeriodicSite: Li (0.8084, 2.167, 19.66) [0.0398, 0.1067, 0.9678]\n", + " PeriodicSite: Li (0.3091, 12.56, 8.155) [0.01521, 0.6181, 0.4015]\n", + " PeriodicSite: Li (4.231, 13.05, 19.16) [0.2083, 0.6424, 0.9433]\n", + " PeriodicSite: Li (13.08, 1.621, 5.518) [0.6438, 0.07979, 0.2716]\n", + " PeriodicSite: Li (13.35, 0.09628, 16.84) [0.6572, 0.004735, 0.8289]\n", + " PeriodicSite: Li (10.94, 10.76, 8.224) [0.5386, 0.5298, 0.4049]\n", + " PeriodicSite: Li (13.78, 14.85, 18.53) [0.6784, 0.7309, 0.9121]\n", + " PeriodicSite: Li (4.978, 1.859, 6.76) [0.2451, 0.09153, 0.3328]\n", + " PeriodicSite: Li (2.214, 18.82, 0.4176) [0.109, 0.9267, 0.02056]\n", + " PeriodicSite: Li (5.148, 13.75, 8.62) [0.2535, 0.6768, 0.4244]\n", + " PeriodicSite: Li (0.7783, 17.63, 14.56) [0.03831, 0.8681, 0.7167]\n", + " PeriodicSite: Li (14.96, 3.57, 7.991) [0.7364, 0.1758, 0.3934]\n", + " PeriodicSite: Li (13.2, 3.485, 19.96) [0.6497, 0.1716, 0.9829]\n", + " PeriodicSite: Li (16.85, 15.43, 8.147) [0.8296, 0.7599, 0.4011]\n", + " PeriodicSite: Li (13.54, 13.64, 1.466) [0.6664, 0.6715, 0.07219]\n", + " PeriodicSite: Li (5.552, 0.9758, 3.03) [0.2734, 0.04804, 0.1492]\n", + " PeriodicSite: Li (3.727, 2.956, 20.07) [0.1835, 0.1455, 0.9881]\n", + " PeriodicSite: Li (2.032, 13.67, 5.625) [0.1, 0.6729, 0.2769]\n", + " PeriodicSite: Li (19.93, 11.11, 2.617) [0.981, 0.5472, 0.1288]\n", + " PeriodicSite: Li (10.23, 2.485, 7.889) [0.5035, 0.1223, 0.3884]\n", + " PeriodicSite: Li (17.08, 0.2966, 17.08) [0.8407, 0.0146, 0.8406]\n", + " PeriodicSite: Li (14.82, 11.8, 6.999) [0.7297, 0.5809, 0.3446]\n", + " PeriodicSite: Li (14.88, 12.59, 16.75) [0.7326, 0.6197, 0.8246]\n", + " PeriodicSite: Li (3.419, 10.74, 17.27) [0.1683, 0.5288, 0.8501]\n", + " PeriodicSite: Li (2.511, 10.67, 8.169) [0.1236, 0.5252, 0.4022]\n", + " PeriodicSite: Li (3.629, 16.48, 19.8) [0.1786, 0.8112, 0.9746]\n", + " PeriodicSite: Li (1.856, 1.725, 9.86) [0.09135, 0.08492, 0.4854]\n", + " PeriodicSite: Li (14.28, 5.727, 2.348) [0.7032, 0.2819, 0.1156]\n", + " PeriodicSite: Li (13.03, 10.51, 16.07) [0.6417, 0.5172, 0.7909]\n", + " PeriodicSite: Li (12.14, 15.01, 6.665) [0.5976, 0.7389, 0.3281]\n", + " PeriodicSite: Li (15.2, 18.39, 13.55) [0.7481, 0.9055, 0.6673]\n", + " PeriodicSite: Li (3.544, 6.616, 0.5633) [0.1744, 0.3257, 0.02774]\n", + " PeriodicSite: Li (2.914, 5.109, 11.39) [0.1435, 0.2515, 0.5609]\n", + " PeriodicSite: Li (5.51, 16.91, 1.043) [0.2712, 0.8323, 0.05133]\n", + " PeriodicSite: Li (3.852, 18.21, 15.01) [0.1896, 0.8966, 0.7389]\n", + " PeriodicSite: Li (16.81, 7.002, 0.1739) [0.8278, 0.3447, 0.008567]\n", + " PeriodicSite: Li (11.39, 5.727, 12.46) [0.5608, 0.282, 0.6133]\n", + " PeriodicSite: Li (13.43, 18.78, 4.885) [0.6613, 0.9246, 0.2405]\n", + " PeriodicSite: Li (10.73, 17.32, 13.67) [0.5282, 0.8529, 0.6729]\n", + " PeriodicSite: Li (0.7405, 8.05, 1.043) [0.03645, 0.3963, 0.05134]\n", + " PeriodicSite: Li (4.654, 7.451, 11.87) [0.2291, 0.3668, 0.5841]\n", + " PeriodicSite: Li (3.011, 15.15, 2.116) [0.1482, 0.746, 0.1042]\n", + " PeriodicSite: Li (3.152, 17.02, 10.54) [0.1552, 0.8379, 0.519]\n", + " PeriodicSite: Li (12.13, 10.03, 1.256) [0.5974, 0.4936, 0.06184]\n", + " PeriodicSite: Li (11.83, 7.271, 15.26) [0.5822, 0.3579, 0.7512]\n", + " PeriodicSite: Li (12.41, 15.5, 3.573) [0.6108, 0.7629, 0.1759]\n", + " PeriodicSite: Li (13.75, 15.81, 12.1) [0.6771, 0.7783, 0.5956]\n", + " PeriodicSite: Li (1.464, 6.908, 4.756) [0.07205, 0.3401, 0.2342]\n", + " PeriodicSite: Li (17.39, 4.815, 10.35) [0.856, 0.237, 0.5097]\n", + " PeriodicSite: Li (1.614, 17.01, 4.888) [0.07944, 0.8374, 0.2406]\n", + " PeriodicSite: Li (0.3755, 18.62, 11.7) [0.01848, 0.9167, 0.5762]\n", + " PeriodicSite: Li (10.18, 6.863, 3.159) [0.5013, 0.3379, 0.1555]\n", + " PeriodicSite: Li (14.29, 9.668, 13.37) [0.7037, 0.476, 0.6585]\n", + " PeriodicSite: Li (12.63, 17.31, 20.3) [0.6217, 0.8524, 0.9996]\n", + " PeriodicSite: Li (7.974, 15.89, 15.68) [0.3926, 0.7822, 0.7719]\n", + " PeriodicSite: Li (5.235, 8.215, 3.351) [0.2577, 0.4044, 0.165]\n", + " PeriodicSite: Li (2.106, 8.96, 10.64) [0.1037, 0.4411, 0.524]\n", + " PeriodicSite: Li (0.1583, 18.21, 2.235) [0.007787, 0.8964, 0.11]\n", + " PeriodicSite: Li (3.138, 20.17, 13.13) [0.1545, 0.9932, 0.6463]\n", + " PeriodicSite: Li (14.86, 9.22, 2.773) [0.7314, 0.4539, 0.1365]\n", + " PeriodicSite: Li (13.01, 6.861, 10.1) [0.6407, 0.3378, 0.4974]\n", + " PeriodicSite: Li (11.98, 20.12, 1.82) [0.59, 0.9905, 0.08961]\n", + " PeriodicSite: Li (13.52, 16.77, 9.683) [0.6656, 0.8257, 0.4767]\n", + " PeriodicSite: Li (5.573, 4.352, 2.147) [0.2744, 0.2142, 0.1057]\n", + " PeriodicSite: Li (3.571, 8.037, 14.78) [0.1758, 0.3957, 0.7278]\n", + " PeriodicSite: Li (4.576, 17.85, 3.765) [0.2253, 0.8788, 0.1854]\n", + " PeriodicSite: Li (1.567, 15.38, 13.36) [0.07714, 0.757, 0.6575]\n", + " PeriodicSite: Li (12.75, 11.04, 5.563) [0.6279, 0.5436, 0.2739]\n", + " PeriodicSite: Li (14.76, 6.446, 12.22) [0.7266, 0.3174, 0.6016]\n", + " PeriodicSite: Li (14.71, 16.96, 1.693) [0.7243, 0.8351, 0.08334]\n", + " PeriodicSite: Li (15.12, 2.686, 15.62) [0.7446, 0.1322, 0.769]\n", + " PeriodicSite: Li (9.707, 3.574, 3.296) [0.4779, 0.176, 0.1622]\n", + " PeriodicSite: Li (9.684, 2.994, 13.57) [0.4767, 0.1474, 0.6682]\n", + " PeriodicSite: Li (7.293, 10.15, 2.735) [0.359, 0.4996, 0.1347]\n", + " PeriodicSite: Li (2.882, 10.96, 13.95) [0.1419, 0.5396, 0.6867]\n", + " PeriodicSite: Li (16.78, 1.252, 4.475) [0.8263, 0.06163, 0.2203]\n", + " PeriodicSite: Li (13.04, 4.099, 9.496) [0.6419, 0.2018, 0.4675]\n", + " PeriodicSite: Li (18.34, 12.16, 0.5746) [0.9029, 0.5987, 0.02829]\n", + " PeriodicSite: Li (17.06, 10.28, 13.8) [0.8399, 0.5061, 0.6792]\n", + " PeriodicSite: Li (7.352, 20.18, 5.125) [0.3619, 0.9934, 0.2523]\n", + " PeriodicSite: Li (5.891, 2.221, 14.76) [0.29, 0.1093, 0.7264]\n", + " PeriodicSite: Li (8.021, 11.31, 19.81) [0.3949, 0.5567, 0.9752]\n", + " PeriodicSite: Li (10.01, 13.72, 13.33) [0.4926, 0.6757, 0.6561]\n", + " PeriodicSite: Li (14.51, 20.02, 2.706) [0.7142, 0.9855, 0.1332]\n", + " PeriodicSite: Li (19.53, 1.392, 11.86) [0.9617, 0.06851, 0.5838]\n", + " PeriodicSite: Li (18.61, 13.33, 4.987) [0.9161, 0.6562, 0.2455]\n", + " PeriodicSite: Li (16.71, 14.93, 12.23) [0.8225, 0.7349, 0.6019]\n", + " PeriodicSite: Li (7.948, 6.046, 5.594) [0.3913, 0.2976, 0.2754]\n", + " PeriodicSite: Li (9.371, 0.4667, 12.03) [0.4613, 0.02297, 0.5925]\n", + " PeriodicSite: Li (9.279, 13.42, 4.467) [0.4568, 0.6605, 0.2199]\n", + " PeriodicSite: Li (6.118, 13.43, 11.01) [0.3012, 0.6611, 0.542]\n", + " PeriodicSite: Li (20.01, 2.27, 2.596) [0.9849, 0.1117, 0.1278]\n", + " PeriodicSite: Li (18.5, 3.729, 14.82) [0.911, 0.1836, 0.7294]\n", + " PeriodicSite: Li (16.43, 14.81, 2.168) [0.8088, 0.7289, 0.1068]\n", + " PeriodicSite: Li (15.42, 12.29, 13.44) [0.759, 0.6049, 0.6619]\n", + " PeriodicSite: Li (3.007, 19.79, 3.214) [0.148, 0.9745, 0.1582]\n", + " PeriodicSite: Li (5.88, 0.3214, 12.97) [0.2895, 0.01582, 0.6387]\n", + " PeriodicSite: Li (5.357, 12.13, 2.776) [0.2638, 0.5972, 0.1367]\n", + " PeriodicSite: Li (7.873, 7.259, 15.06) [0.3876, 0.3574, 0.7414]\n", + " PeriodicSite: Li (18.32, 4.835, 3.634) [0.9018, 0.238, 0.1789]\n", + " PeriodicSite: Li (17.37, 0.8666, 14.19) [0.8554, 0.04266, 0.6986]\n", + " PeriodicSite: Li (16.87, 14.41, 19.32) [0.8305, 0.7092, 0.9513]\n", + " PeriodicSite: Li (19.4, 11.66, 11.34) [0.955, 0.5739, 0.5583]\n", + " PeriodicSite: Li (7.147, 3.276, 0.2189) [0.3519, 0.1613, 0.01078]\n", + " PeriodicSite: Li (5.861, 2.95, 10.7) [0.2886, 0.1452, 0.5268]\n", + " PeriodicSite: Li (9.969, 11.84, 1.906) [0.4908, 0.583, 0.09385]\n", + " PeriodicSite: Li (9.006, 11.41, 11.93) [0.4434, 0.5616, 0.5872]\n", + " PeriodicSite: Li (15.4, 2.888, 1.914) [0.758, 0.1422, 0.09424]\n", + " PeriodicSite: Li (15.33, 3.052, 11.66) [0.7548, 0.1503, 0.5739]\n", + " PeriodicSite: Li (0.2515, 12.33, 18.28) [0.01238, 0.6068, 0.9001]\n", + " PeriodicSite: Li (19.07, 14.18, 13.08) [0.9387, 0.6983, 0.644]\n", + " PeriodicSite: Li (8.467, 0.4181, 1.709) [0.4168, 0.02058, 0.08414]\n", + " PeriodicSite: Li (8.358, 1.898, 10.04) [0.4115, 0.09344, 0.4944]\n", + " PeriodicSite: Li (6.994, 11.84, 4.715) [0.3443, 0.5831, 0.2321]\n", + " PeriodicSite: Li (4.168, 15.94, 12.53) [0.2052, 0.7846, 0.6169]\n", + " PeriodicSite: Li (17.46, 4.108, 0.7188) [0.8595, 0.2022, 0.03539]\n", + " PeriodicSite: Li (0.2993, 7.054, 13.42) [0.01473, 0.3473, 0.6609]\n", + " PeriodicSite: Li (3.064, 15.34, 8.263) [0.1508, 0.7554, 0.4068]\n", + " PeriodicSite: Li (16.48, 13.06, 10.5) [0.8115, 0.6428, 0.5171]\n", + " PeriodicSite: Li (13.69, 8.186, 5.69) [0.6739, 0.403, 0.2801]\n", + " PeriodicSite: Li (5.149, 8.363, 17.36) [0.2535, 0.4117, 0.8545]\n", + " PeriodicSite: Li (6.479, 17.07, 9.844) [0.319, 0.8402, 0.4846]\n", + " PeriodicSite: Li (6.813, 15.41, 18.82) [0.3354, 0.7587, 0.9265]\n", + " PeriodicSite: Li (16.57, 9.517, 7.097) [0.816, 0.4685, 0.3494]\n", + " PeriodicSite: Li (3.178, 4.843, 18.27) [0.1565, 0.2384, 0.8993]\n", + " PeriodicSite: Li (17.56, 19.17, 5.736) [0.8646, 0.9438, 0.2824]\n", + " PeriodicSite: Li (19.81, 18.89, 18.62) [0.9753, 0.93, 0.9167]\n", + " PeriodicSite: Li (7.214, 9.391, 6.323) [0.3552, 0.4623, 0.3113]\n", + " PeriodicSite: Li (8.776, 5.335, 16.89) [0.4321, 0.2626, 0.8314]\n", + " PeriodicSite: Li (8.309, 19.88, 7.938) [0.409, 0.9789, 0.3908]\n", + " PeriodicSite: Li (7.019, 19.17, 15.38) [0.3455, 0.944, 0.7571]\n", + " PeriodicSite: Li (18.02, 7.643, 10.02) [0.8872, 0.3763, 0.4935]\n", + " PeriodicSite: Li (17.72, 6.648, 15.92) [0.8726, 0.3273, 0.784]\n", + " PeriodicSite: Li (18.52, 19.82, 9.043) [0.9116, 0.9756, 0.4452]\n", + " PeriodicSite: Li (18.84, 16.0, 16.86) [0.9275, 0.7875, 0.8298]\n", + " PeriodicSite: Li (6.576, 5.331, 8.365) [0.3238, 0.2624, 0.4118]\n", + " PeriodicSite: Li (6.073, 5.718, 17.59) [0.299, 0.2815, 0.8662]\n", + " PeriodicSite: Li (9.599, 17.73, 9.229) [0.4726, 0.8729, 0.4543]\n", + " PeriodicSite: Li (12.66, 14.97, 15.75) [0.6233, 0.7369, 0.7754]\n", + " PeriodicSite: Li (19.81, 9.103, 7.801) [0.9753, 0.4481, 0.384]\n", + " PeriodicSite: Li (0.175, 6.82, 17.39) [0.008616, 0.3357, 0.856]\n", + " PeriodicSite: Li (16.58, 17.65, 9.739) [0.8165, 0.869, 0.4795]\n", + " PeriodicSite: Li (16.72, 17.22, 19.77) [0.8233, 0.8479, 0.9735]\n", + " PeriodicSite: Li (7.942, 8.367, 9.807) [0.391, 0.4119, 0.4828]\n", + " PeriodicSite: Li (7.156, 7.054, 20.02) [0.3523, 0.3473, 0.9857]\n", + " PeriodicSite: Li (5.268, 18.28, 6.768) [0.2594, 0.9001, 0.3332]\n", + " PeriodicSite: Li (6.897, 14.42, 1.348) [0.3396, 0.7101, 0.06637]\n", + " PeriodicSite: Li (15.86, 6.936, 8.119) [0.7808, 0.3414, 0.3997]\n", + " PeriodicSite: Li (18.41, 9.742, 19.23) [0.9062, 0.4796, 0.9469]\n", + " PeriodicSite: Li (15.49, 18.44, 6.908) [0.7627, 0.9078, 0.3401]\n", + " PeriodicSite: Li (15.89, 18.54, 16.77) [0.7823, 0.9129, 0.8258]\n", + " PeriodicSite: Li (6.86, 4.842, 12.15) [0.3377, 0.2384, 0.5984]\n", + " PeriodicSite: Li (7.002, 10.05, 16.47) [0.3447, 0.4947, 0.811]\n", + " PeriodicSite: Li (9.361, 17.7, 5.919) [0.4609, 0.8716, 0.2914]\n", + " PeriodicSite: Li (10.36, 17.1, 2.552) [0.5098, 0.8416, 0.1256]\n", + " PeriodicSite: Li (17.25, 8.954, 4.235) [0.8491, 0.4408, 0.2085]\n", + " PeriodicSite: Li (15.86, 4.851, 18.26) [0.7809, 0.2388, 0.8992]\n", + " PeriodicSite: Li (19.87, 16.91, 7.213) [0.9781, 0.8323, 0.3551]\n", + " PeriodicSite: Li (17.93, 0.2563, 1.562) [0.8826, 0.01261, 0.07688]\n", + " PeriodicSite: Li (3.1, 10.11, 3.421) [0.1526, 0.4975, 0.1684]\n", + " PeriodicSite: Li (9.725, 8.409, 18.48) [0.4788, 0.414, 0.9099]\n", + " PeriodicSite: Li (8.236, 15.37, 7.749) [0.4055, 0.7565, 0.3815]\n", + " PeriodicSite: Li (7.483, 20.02, 18.33) [0.3684, 0.9857, 0.9026]\n", + " PeriodicSite: Li (18.53, 5.665, 6.688) [0.9122, 0.2789, 0.3292]\n", + " PeriodicSite: Li (18.01, 12.63, 15.26) [0.8867, 0.622, 0.7512]\n", + " PeriodicSite: Li (19.69, 14.85, 2.789) [0.9693, 0.7308, 0.1373]\n", + " PeriodicSite: Li (13.19, 0.5198, 13.6) [0.6491, 0.02559, 0.6696]\n", + " PeriodicSite: Cl (7.708, 12.95, 12.86) [0.3794, 0.6375, 0.6333]\n", + " PeriodicSite: Cl (2.465, 12.88, 17.75) [0.1213, 0.6343, 0.8737]\n", + " PeriodicSite: Cl (13.03, 18.03, 12.63) [0.6416, 0.8878, 0.6219]\n", + " PeriodicSite: Cl (18.09, 7.639, 18.19) [0.8906, 0.3761, 0.8955]\n", + " PeriodicSite: Cl (7.431, 2.721, 2.575) [0.3658, 0.134, 0.1268]\n", + " PeriodicSite: Cl (7.287, 7.378, 7.439) [0.3587, 0.3632, 0.3662]\n", + " PeriodicSite: Cl (12.62, 12.74, 7.367) [0.6214, 0.6272, 0.3627]\n", + " PeriodicSite: Cl (2.641, 7.749, 2.524) [0.13, 0.3815, 0.1243]\n", + " PeriodicSite: Cl (2.364, 7.917, 12.67) [0.1164, 0.3898, 0.6236]\n", + " PeriodicSite: Cl (12.81, 13.03, 17.53) [0.6307, 0.6417, 0.8628]\n", + " PeriodicSite: Cl (17.76, 18.16, 17.93) [0.8743, 0.894, 0.8828]\n", + " PeriodicSite: Cl (2.396, 2.383, 7.527) [0.118, 0.1173, 0.3705]\n", + " PeriodicSite: Cl (12.68, 2.12, 17.85) [0.6244, 0.1044, 0.8787]\n", + " PeriodicSite: Cl (13.03, 7.732, 2.387) [0.6414, 0.3807, 0.1175]\n", + " PeriodicSite: Cl (17.44, 2.487, 12.52) [0.8586, 0.1224, 0.6164]\n", + " PeriodicSite: Cl (7.882, 17.9, 17.78) [0.388, 0.8813, 0.8754]\n", + " PeriodicSite: Cl (0.1415, 20.09, 0.2844) [0.006959, 0.9888, 0.014]\n", + " PeriodicSite: Cl (0.06523, 0.06693, 10.13) [0.003214, 0.003296, 0.4986]\n", + " PeriodicSite: Cl (20.12, 10.49, 0.1959) [0.9905, 0.5164, 0.00965]\n", + " PeriodicSite: Cl (0.496, 10.4, 9.803) [0.02442, 0.5119, 0.4826]\n", + " PeriodicSite: Cl (10.24, 19.98, 20.02) [0.5041, 0.9834, 0.9855]\n", + " PeriodicSite: Cl (9.823, 0.1015, 9.662) [0.4836, 0.004995, 0.4757]\n", + " PeriodicSite: Cl (10.35, 10.39, 20.19) [0.5094, 0.5115, 0.9942]\n", + " PeriodicSite: Cl (9.88, 9.861, 10.02) [0.4864, 0.4855, 0.4933]\n", + " PeriodicSite: Cl (0.01026, 4.656, 5.193) [0.0005046, 0.2292, 0.2557]\n", + " PeriodicSite: Cl (19.96, 5.196, 15.96) [0.9829, 0.2558, 0.7856]\n", + " PeriodicSite: Cl (0.02321, 14.87, 5.203) [0.001137, 0.732, 0.2562]\n", + " PeriodicSite: Cl (0.2686, 15.22, 15.35) [0.01322, 0.7494, 0.7555]\n", + " PeriodicSite: Cl (10.13, 5.195, 4.795) [0.4988, 0.2557, 0.2361]\n", + " PeriodicSite: Cl (10.07, 5.522, 14.96) [0.4958, 0.2718, 0.7365]\n", + " PeriodicSite: Cl (10.5, 15.86, 4.838) [0.5168, 0.781, 0.2382]\n", + " PeriodicSite: Cl (10.27, 15.49, 15.24) [0.5055, 0.7624, 0.7503]\n", + " PeriodicSite: S (4.884, 20.14, 5.09) [0.2404, 0.9917, 0.2506]\n", + " PeriodicSite: S (4.856, 0.1673, 15.11) [0.2391, 0.008234, 0.7441]\n", + " PeriodicSite: S (5.383, 10.12, 4.824) [0.265, 0.4982, 0.2375]\n", + " PeriodicSite: S (4.71, 10.29, 15.24) [0.2319, 0.5066, 0.75]\n", + " PeriodicSite: S (15.04, 20.19, 5.045) [0.7402, 0.994, 0.2484]\n", + " PeriodicSite: S (15.29, 0.3105, 15.04) [0.7527, 0.01528, 0.7405]\n", + " PeriodicSite: S (15.04, 10.03, 5.049) [0.7403, 0.494, 0.2486]\n", + " PeriodicSite: S (15.32, 10.75, 15.25) [0.7541, 0.5292, 0.7506]\n", + " PeriodicSite: S (5.179, 5.017, 20.03) [0.255, 0.247, 0.9861]\n", + " PeriodicSite: S (5.158, 5.178, 10.43) [0.2539, 0.2549, 0.5134]\n", + " PeriodicSite: S (4.971, 14.88, 0.2301) [0.2447, 0.7326, 0.01133]\n", + " PeriodicSite: S (4.641, 15.11, 10.43) [0.2285, 0.7438, 0.5137]\n", + " PeriodicSite: S (15.01, 5.257, 0.1306) [0.739, 0.2588, 0.006435]\n", + " PeriodicSite: S (15.1, 4.81, 10.14) [0.7435, 0.2368, 0.4993]\n", + " PeriodicSite: S (15.03, 15.14, 0.01875) [0.7398, 0.7454, 0.0009286]\n", + " PeriodicSite: S (15.32, 15.25, 10.09) [0.7544, 0.7508, 0.4969]\n", + " PeriodicSite: S (8.52, 3.979, 8.972) [0.4195, 0.1959, 0.4417]\n", + " PeriodicSite: S (9.066, 3.809, 19.17) [0.4463, 0.1875, 0.9437]\n", + " PeriodicSite: S (9.006, 13.72, 9.28) [0.4434, 0.6755, 0.4569]\n", + " PeriodicSite: S (8.922, 13.75, 19.22) [0.4392, 0.6769, 0.9463]\n", + " PeriodicSite: S (19.26, 4.086, 9.06) [0.9482, 0.2012, 0.4461]\n", + " PeriodicSite: S (19.1, 3.735, 19.2) [0.9401, 0.1839, 0.945]\n", + " PeriodicSite: S (18.87, 13.92, 9.21) [0.9289, 0.6851, 0.4534]\n", + " PeriodicSite: S (19.3, 14.45, 18.73) [0.95, 0.7116, 0.922]\n", + " PeriodicSite: S (3.587, 0.8801, 1.381) [0.1766, 0.04333, 0.06797]\n", + " PeriodicSite: S (4.131, 0.9713, 11.26) [0.2034, 0.04782, 0.5546]\n", + " PeriodicSite: S (3.579, 11.44, 1.1) [0.1762, 0.5632, 0.05414]\n", + " PeriodicSite: S (3.956, 11.47, 11.43) [0.1947, 0.5647, 0.5625]\n", + " PeriodicSite: S (13.84, 1.087, 0.7779) [0.6815, 0.05351, 0.0383]\n", + " PeriodicSite: S (13.66, 1.007, 11.23) [0.6723, 0.04956, 0.5528]\n", + " PeriodicSite: S (14.14, 11.25, 1.512) [0.6963, 0.5537, 0.07446]\n", + " PeriodicSite: S (14.17, 11.43, 11.47) [0.6974, 0.5626, 0.5648]\n", + " PeriodicSite: S (6.117, 1.528, 8.623) [0.3012, 0.07523, 0.4245]\n", + " PeriodicSite: S (5.889, 1.219, 19.35) [0.2899, 0.06002, 0.9528]\n", + " PeriodicSite: S (6.446, 11.71, 9.309) [0.3173, 0.5765, 0.4583]\n", + " PeriodicSite: S (5.867, 11.16, 18.88) [0.2889, 0.5492, 0.9296]\n", + " PeriodicSite: S (16.39, 1.198, 9.11) [0.8071, 0.05897, 0.4485]\n", + " PeriodicSite: S (16.29, 1.394, 19.11) [0.802, 0.06863, 0.9407]\n", + " PeriodicSite: S (16.21, 11.27, 8.931) [0.7981, 0.5549, 0.4397]\n", + " PeriodicSite: S (16.48, 11.64, 19.18) [0.8115, 0.5731, 0.9441]\n", + " PeriodicSite: S (1.108, 3.635, 1.294) [0.05454, 0.1789, 0.0637]\n", + " PeriodicSite: S (1.013, 3.512, 11.64) [0.04987, 0.1729, 0.573]\n", + " PeriodicSite: S (0.9696, 14.21, 1.003) [0.04773, 0.6996, 0.04939]\n", + " PeriodicSite: S (0.8502, 13.86, 11.63) [0.04185, 0.6825, 0.5725]\n", + " PeriodicSite: S (11.48, 4.434, 1.535) [0.5651, 0.2183, 0.07559]\n", + " PeriodicSite: S (11.02, 3.642, 11.12) [0.5424, 0.1793, 0.5476]\n", + " PeriodicSite: S (11.11, 14.06, 1.581) [0.547, 0.6922, 0.07782]\n", + " PeriodicSite: S (11.78, 14.23, 11.25) [0.5799, 0.7006, 0.5538]\n", + " PeriodicSite: S (2.284, 2.736, 18.01) [0.1124, 0.1347, 0.8867]\n", + " PeriodicSite: S (2.709, 12.98, 7.87) [0.1334, 0.639, 0.3874]\n", + " PeriodicSite: S (12.57, 2.528, 7.696) [0.6187, 0.1245, 0.3789]\n", + " PeriodicSite: S (8.852, 8.724, 4.008) [0.4358, 0.4295, 0.1973]\n", + " PeriodicSite: S (8.572, 9.25, 14.08) [0.422, 0.4554, 0.693]\n", + " PeriodicSite: S (8.879, 19.36, 3.715) [0.4371, 0.9533, 0.1829]\n", + " PeriodicSite: S (8.986, 18.89, 14.07) [0.4424, 0.9298, 0.6925]\n", + " PeriodicSite: S (19.48, 9.091, 3.932) [0.9589, 0.4476, 0.1936]\n", + " PeriodicSite: S (18.81, 8.62, 14.31) [0.9259, 0.4244, 0.7045]\n", + " PeriodicSite: S (19.0, 18.92, 3.819) [0.9352, 0.9313, 0.188]\n", + " PeriodicSite: S (19.07, 19.38, 13.76) [0.9386, 0.9543, 0.6776]\n", + " PeriodicSite: S (3.449, 5.765, 6.038) [0.1698, 0.2838, 0.2972]\n", + " PeriodicSite: S (3.883, 6.379, 16.39) [0.1911, 0.314, 0.8069]\n", + " PeriodicSite: S (3.918, 16.41, 5.911) [0.1929, 0.8077, 0.291]\n", + " PeriodicSite: S (4.087, 16.54, 16.74) [0.2012, 0.8143, 0.8242]\n", + " PeriodicSite: S (14.06, 6.09, 6.452) [0.6924, 0.2998, 0.3176]\n", + " PeriodicSite: S (14.0, 5.951, 16.73) [0.6894, 0.293, 0.8238]\n", + " PeriodicSite: S (14.04, 16.35, 6.124) [0.691, 0.8051, 0.3015]\n", + " PeriodicSite: S (14.07, 16.65, 16.57) [0.6925, 0.8197, 0.8156]\n", + " PeriodicSite: S (6.197, 6.071, 3.845) [0.3051, 0.2989, 0.1893]\n", + " PeriodicSite: S (5.746, 6.626, 13.75) [0.2829, 0.3262, 0.6772]\n", + " PeriodicSite: S (6.328, 16.29, 3.68) [0.3115, 0.8019, 0.1812]\n", + " PeriodicSite: S (6.112, 16.6, 14.14) [0.3009, 0.8174, 0.6963]\n", + " PeriodicSite: S (16.27, 6.394, 3.987) [0.8011, 0.3148, 0.1963]\n", + " PeriodicSite: S (16.0, 6.62, 13.98) [0.7876, 0.3259, 0.6882]\n", + " PeriodicSite: S (16.05, 16.52, 3.728) [0.7902, 0.8135, 0.1836]\n", + " PeriodicSite: S (16.73, 16.74, 14.43) [0.8235, 0.8241, 0.7106]\n", + " PeriodicSite: S (1.584, 8.925, 6.255) [0.07799, 0.4394, 0.308]\n", + " PeriodicSite: S (1.285, 8.929, 16.3) [0.06327, 0.4396, 0.8026]\n", + " PeriodicSite: S (0.9985, 18.83, 6.378) [0.04915, 0.927, 0.314]\n", + " PeriodicSite: S (0.9619, 19.1, 16.47) [0.04735, 0.9403, 0.8106]\n", + " PeriodicSite: S (11.33, 8.958, 6.13) [0.5578, 0.441, 0.3018]\n", + " PeriodicSite: S (10.98, 9.117, 16.49) [0.5406, 0.4489, 0.8117]\n", + " PeriodicSite: S (11.27, 19.25, 6.066) [0.5549, 0.9479, 0.2986]\n", + " PeriodicSite: S (11.16, 18.94, 16.39) [0.5495, 0.9327, 0.807]\n", + " PeriodicSite: S (2.475, 17.66, 2.479) [0.1218, 0.8692, 0.1221]\n", + " PeriodicSite: S (2.566, 17.43, 13.02) [0.1263, 0.8579, 0.6407]\n", + " PeriodicSite: S (12.66, 7.442, 13.22) [0.6233, 0.3664, 0.6507]\n", + " PeriodicSite: S (12.6, 17.79, 2.431) [0.6202, 0.8756, 0.1197]\n", + " PeriodicSite: S (4.019, 3.503, 3.723) [0.1979, 0.1725, 0.1833]\n", + " PeriodicSite: S (3.832, 3.588, 14.23) [0.1887, 0.1767, 0.7007]\n", + " PeriodicSite: S (4.069, 13.57, 4.198) [0.2003, 0.6681, 0.2067]\n", + " PeriodicSite: S (3.829, 14.24, 14.14) [0.1885, 0.701, 0.6959]\n", + " PeriodicSite: S (14.01, 3.747, 4.148) [0.6896, 0.1845, 0.2042]\n", + " PeriodicSite: S (13.87, 3.898, 14.18) [0.6827, 0.1919, 0.6983]\n", + " PeriodicSite: S (13.93, 13.71, 3.859) [0.686, 0.6748, 0.19]\n", + " PeriodicSite: S (14.35, 14.37, 14.1) [0.7064, 0.7076, 0.6939]\n", + " PeriodicSite: S (9.083, 1.292, 6.151) [0.4471, 0.06361, 0.3028]\n", + " PeriodicSite: S (8.395, 1.015, 16.33) [0.4133, 0.04998, 0.8041]\n", + " PeriodicSite: S (8.824, 11.33, 6.258) [0.4344, 0.5577, 0.3081]\n", + " PeriodicSite: S (8.885, 11.82, 16.39) [0.4374, 0.582, 0.8068]\n", + " PeriodicSite: S (18.76, 0.8145, 6.169) [0.9233, 0.04009, 0.3037]\n", + " PeriodicSite: S (18.97, 1.358, 16.18) [0.9342, 0.06684, 0.7964]\n", + " PeriodicSite: S (19.44, 11.35, 6.33) [0.957, 0.5586, 0.3116]\n", + " PeriodicSite: S (19.09, 10.86, 16.8) [0.94, 0.5345, 0.827]\n", + " PeriodicSite: S (1.025, 0.9449, 3.941) [0.05049, 0.04652, 0.194]\n", + " PeriodicSite: S (1.154, 1.363, 14.06) [0.05681, 0.06709, 0.6922]\n", + " PeriodicSite: S (1.453, 11.6, 3.986) [0.07153, 0.5708, 0.1962]\n", + " PeriodicSite: S (0.2402, 11.41, 13.83) [0.01182, 0.5616, 0.6811]\n", + " PeriodicSite: S (11.34, 1.32, 3.613) [0.5584, 0.06498, 0.1779]\n", + " PeriodicSite: S (11.07, 1.352, 14.42) [0.545, 0.06654, 0.7097]\n", + " PeriodicSite: S (11.21, 11.31, 3.816) [0.5521, 0.5567, 0.1879]\n", + " PeriodicSite: S (11.31, 11.46, 13.85) [0.557, 0.5641, 0.6819]\n", + " PeriodicSite: S (6.227, 3.922, 6.251) [0.3066, 0.1931, 0.3077]\n", + " PeriodicSite: S (6.575, 4.145, 15.99) [0.3237, 0.2041, 0.7874]\n", + " PeriodicSite: S (6.284, 14.03, 6.493) [0.3094, 0.6906, 0.3197]\n", + " PeriodicSite: S (6.475, 14.11, 16.31) [0.3188, 0.6946, 0.803]\n", + " PeriodicSite: S (16.78, 3.894, 6.052) [0.8262, 0.1917, 0.298]\n", + " PeriodicSite: S (16.69, 4.207, 16.18) [0.8215, 0.2071, 0.7965]\n", + " PeriodicSite: S (16.5, 13.96, 6.065) [0.8124, 0.6872, 0.2986]\n", + " PeriodicSite: S (16.64, 14.49, 16.69) [0.8192, 0.7135, 0.8216]\n", + " PeriodicSite: S (7.463, 2.31, 12.26) [0.3674, 0.1137, 0.6035]\n", + " PeriodicSite: S (7.772, 12.53, 2.668) [0.3826, 0.6168, 0.1313]\n", + " PeriodicSite: S (17.75, 2.518, 2.409) [0.874, 0.124, 0.1186]\n", + " PeriodicSite: S (18.01, 13.08, 2.713) [0.8865, 0.6439, 0.1336]\n", + " PeriodicSite: S (17.69, 12.72, 12.81) [0.8708, 0.626, 0.6304]\n", + " PeriodicSite: S (4.162, 9.009, 8.984) [0.2049, 0.4435, 0.4423]\n", + " PeriodicSite: S (3.523, 8.803, 19.29) [0.1734, 0.4334, 0.9497]\n", + " PeriodicSite: S (4.014, 19.13, 8.752) [0.1976, 0.9418, 0.4309]\n", + " PeriodicSite: S (4.221, 18.74, 19.5) [0.2078, 0.9224, 0.9599]\n", + " PeriodicSite: S (13.95, 8.924, 9.036) [0.6868, 0.4393, 0.4449]\n", + " PeriodicSite: S (14.28, 9.276, 19.18) [0.7031, 0.4567, 0.9444]\n", + " PeriodicSite: S (14.04, 19.11, 8.88) [0.691, 0.9409, 0.4372]\n", + " PeriodicSite: S (14.11, 19.01, 18.96) [0.6949, 0.9357, 0.9336]\n", + " PeriodicSite: S (9.247, 6.53, 0.7583) [0.4552, 0.3215, 0.03734]\n", + " PeriodicSite: S (9.128, 6.34, 11.25) [0.4494, 0.3121, 0.5537]\n", + " PeriodicSite: S (8.864, 16.28, 0.6671) [0.4364, 0.8017, 0.03285]\n", + " PeriodicSite: S (9.144, 16.36, 11.31) [0.4502, 0.8057, 0.5566]\n", + " PeriodicSite: S (19.15, 6.275, 1.457) [0.9429, 0.3089, 0.07176]\n", + " PeriodicSite: S (19.03, 5.997, 11.62) [0.937, 0.2952, 0.572]\n", + " PeriodicSite: S (19.06, 16.49, 1.201) [0.9381, 0.8119, 0.05913]\n", + " PeriodicSite: S (18.98, 16.4, 11.6) [0.9346, 0.8074, 0.5711]\n", + " PeriodicSite: S (1.437, 6.114, 9.579) [0.07076, 0.301, 0.4716]\n", + " PeriodicSite: S (1.319, 6.168, 19.49) [0.06494, 0.3037, 0.9595]\n", + " PeriodicSite: S (0.8329, 16.33, 9.104) [0.041, 0.8041, 0.4482]\n", + " PeriodicSite: S (1.057, 16.89, 19.16) [0.05202, 0.8315, 0.9433]\n", + " PeriodicSite: S (11.3, 5.845, 8.691) [0.5565, 0.2877, 0.4279]\n", + " PeriodicSite: S (11.51, 5.921, 18.67) [0.5666, 0.2915, 0.9194]\n", + " PeriodicSite: S (11.3, 16.15, 8.679) [0.5564, 0.7953, 0.4273]\n", + " PeriodicSite: S (11.32, 15.97, 18.98) [0.5575, 0.7863, 0.9343]\n", + " PeriodicSite: S (6.081, 8.954, 1.178) [0.2994, 0.4408, 0.058]\n", + " PeriodicSite: S (6.496, 9.229, 11.45) [0.3198, 0.4544, 0.5637]\n", + " PeriodicSite: S (6.334, 19.28, 1.647) [0.3118, 0.9491, 0.08107]\n", + " PeriodicSite: S (6.558, 19.14, 10.98) [0.3228, 0.9423, 0.5403]\n", + " PeriodicSite: S (16.83, 9.358, 1.211) [0.8283, 0.4607, 0.05963]\n", + " PeriodicSite: S (16.16, 8.897, 11.57) [0.7955, 0.438, 0.5694]\n", + " PeriodicSite: S (16.12, 19.0, 1.211) [0.7936, 0.9356, 0.05963]\n", + " PeriodicSite: S (16.24, 19.22, 11.52) [0.7994, 0.946, 0.567]\n", + " PeriodicSite: S (7.613, 7.808, 17.47) [0.3748, 0.3844, 0.8602]\n", + " PeriodicSite: S (7.738, 17.79, 7.614) [0.3809, 0.876, 0.3748]\n", + " PeriodicSite: S (17.96, 7.621, 7.686) [0.8843, 0.3752, 0.3784]\n", + " PeriodicSite: S (17.69, 17.73, 7.686) [0.871, 0.873, 0.3784]\n", + " PeriodicSite: P (5.065, 20.22, 0.3952) [0.2493, 0.9954, 0.01946]\n", + " PeriodicSite: P (5.29, 20.28, 9.858) [0.2604, 0.9984, 0.4853]\n", + " PeriodicSite: P (4.685, 10.12, 0.06462) [0.2306, 0.4981, 0.003184]\n", + " PeriodicSite: P (5.184, 10.43, 10.21) [0.2552, 0.5135, 0.5028]\n", + " PeriodicSite: P (15.18, 0.02137, 20.11) [0.7475, 0.001047, 0.99]\n", + " PeriodicSite: P (15.1, 0.02779, 10.27) [0.7432, 0.001362, 0.5056]\n", + " PeriodicSite: P (15.42, 10.37, 0.1519) [0.7592, 0.5104, 0.007481]\n", + " PeriodicSite: P (15.11, 10.1, 10.26) [0.7437, 0.4971, 0.5053]\n", + " PeriodicSite: P (4.912, 4.803, 5.0) [0.2418, 0.2365, 0.2462]\n", + " PeriodicSite: P (4.989, 5.103, 15.04) [0.2456, 0.2512, 0.7405]\n", + " PeriodicSite: P (5.269, 15.12, 4.994) [0.2594, 0.7446, 0.2459]\n", + " PeriodicSite: P (5.037, 15.47, 15.37) [0.248, 0.7618, 0.7566]\n", + " PeriodicSite: P (15.27, 4.992, 5.163) [0.752, 0.2458, 0.2542]\n", + " PeriodicSite: P (15.15, 5.198, 15.1) [0.7457, 0.2559, 0.7435]\n", + " PeriodicSite: P (15.2, 15.09, 4.977) [0.7483, 0.7429, 0.245]\n", + " PeriodicSite: P (15.39, 15.59, 15.47) [0.7576, 0.7675, 0.7617]\n", + " PeriodicSite: P (20.13, 20.03, 5.057) [0.991, 0.9861, 0.249]\n", + " PeriodicSite: P (20.28, 0.1505, 15.06) [0.9983, 0.007402, 0.7415]\n", + " PeriodicSite: P (0.3803, 10.31, 5.156) [0.01872, 0.5075, 0.2538]\n", + " PeriodicSite: P (20.11, 9.941, 15.3) [0.9902, 0.4894, 0.7534]\n", + " PeriodicSite: P (10.21, 0.1736, 4.903) [0.5024, 0.008543, 0.2414]\n", + " PeriodicSite: P (9.916, 20.11, 15.37) [0.4882, 0.9903, 0.7567]\n", + " PeriodicSite: P (10.04, 10.08, 5.013) [0.4945, 0.4963, 0.2468]\n", + " PeriodicSite: P (9.941, 10.37, 15.28) [0.4894, 0.5107, 0.752]\n", + " PeriodicSite: P (20.24, 4.908, 0.174) [0.9963, 0.2416, 0.008571]\n", + " PeriodicSite: P (0.06637, 4.923, 10.47) [0.003268, 0.2424, 0.5156]\n", + " PeriodicSite: P (0.007994, 15.54, 20.22) [0.0003919, 0.7652, 0.9953]\n", + " PeriodicSite: P (20.06, 15.16, 10.37) [0.9877, 0.7465, 0.5106]\n", + " PeriodicSite: P (10.34, 5.096, 20.19) [0.5093, 0.2509, 0.9938]\n", + " PeriodicSite: P (9.953, 4.997, 9.967) [0.49, 0.246, 0.4907]\n", + " PeriodicSite: P (10.2, 14.9, 20.28) [0.502, 0.7335, 0.9983]\n", + " PeriodicSite: P (10.25, 15.08, 10.12) [0.5044, 0.7423, 0.4983],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.659, 3.466, 4.75) [0.08168, 0.1706, 0.2339]\n", + " PeriodicSite: Li (0.1633, 3.408, 16.92) [0.008044, 0.1678, 0.833]\n", + " PeriodicSite: Li (2.739, 14.02, 10.05) [0.1349, 0.6902, 0.4946]\n", + " PeriodicSite: Li (1.71, 14.95, 17.01) [0.08421, 0.736, 0.8374]\n", + " PeriodicSite: Li (13.95, 0.4787, 7.607) [0.6869, 0.02356, 0.3745]\n", + " PeriodicSite: Li (12.15, 4.424, 16.2) [0.598, 0.2178, 0.7976]\n", + " PeriodicSite: Li (16.0, 11.85, 3.634) [0.7877, 0.5835, 0.1789]\n", + " PeriodicSite: Li (16.81, 9.474, 16.85) [0.8277, 0.4664, 0.8293]\n", + " PeriodicSite: Li (3.349, 4.832, 8.346) [0.1649, 0.2379, 0.4109]\n", + " PeriodicSite: Li (3.685, 0.1811, 17.32) [0.1814, 0.008913, 0.8527]\n", + " PeriodicSite: Li (5.154, 8.155, 6.606) [0.2538, 0.4015, 0.3252]\n", + " PeriodicSite: Li (6.514, 10.27, 13.83) [0.3207, 0.5056, 0.6807]\n", + " PeriodicSite: Li (11.92, 4.517, 6.499) [0.5868, 0.2224, 0.32]\n", + " PeriodicSite: Li (14.06, 6.621, 19.59) [0.6921, 0.3259, 0.9647]\n", + " PeriodicSite: Li (10.51, 8.761, 11.74) [0.5175, 0.4313, 0.5779]\n", + " PeriodicSite: Li (9.513, 18.18, 18.81) [0.4683, 0.8948, 0.926]\n", + " PeriodicSite: Li (3.052, 20.12, 6.89) [0.1502, 0.9904, 0.3392]\n", + " PeriodicSite: Li (3.457, 2.032, 15.34) [0.1702, 0.1001, 0.7554]\n", + " PeriodicSite: Li (4.007, 11.65, 5.728) [0.1973, 0.5737, 0.282]\n", + " PeriodicSite: Li (5.269, 12.35, 15.75) [0.2594, 0.6079, 0.7756]\n", + " PeriodicSite: Li (12.04, 0.06725, 10.11) [0.5929, 0.003306, 0.4977]\n", + " PeriodicSite: Li (10.46, 1.469, 18.54) [0.5147, 0.0723, 0.9126]\n", + " PeriodicSite: Li (13.51, 13.23, 10.42) [0.6651, 0.6512, 0.5129]\n", + " PeriodicSite: Li (10.28, 13.23, 16.71) [0.5061, 0.6515, 0.8228]\n", + " PeriodicSite: Li (0.2093, 2.602, 7.832) [0.0103, 0.1281, 0.3856]\n", + " PeriodicSite: Li (1.05, 1.963, 19.44) [0.05172, 0.09666, 0.957]\n", + " PeriodicSite: Li (0.5998, 13.04, 8.044) [0.02953, 0.6421, 0.396]\n", + " PeriodicSite: Li (3.706, 13.1, 19.72) [0.1825, 0.6449, 0.971]\n", + " PeriodicSite: Li (13.66, 1.734, 5.257) [0.6727, 0.08536, 0.2588]\n", + " PeriodicSite: Li (13.24, 0.338, 16.92) [0.6518, 0.01664, 0.8331]\n", + " PeriodicSite: Li (10.5, 11.18, 8.055) [0.5169, 0.5503, 0.3966]\n", + " PeriodicSite: Li (13.87, 14.85, 18.35) [0.6826, 0.7312, 0.9033]\n", + " PeriodicSite: Li (4.891, 1.976, 6.324) [0.2408, 0.09728, 0.3113]\n", + " PeriodicSite: Li (2.6, 18.97, 0.5188) [0.128, 0.9341, 0.02554]\n", + " PeriodicSite: Li (5.109, 13.43, 8.59) [0.2515, 0.6614, 0.4229]\n", + " PeriodicSite: Li (0.8462, 17.72, 14.76) [0.04165, 0.8723, 0.7267]\n", + " PeriodicSite: Li (14.94, 3.35, 8.355) [0.7356, 0.1649, 0.4113]\n", + " PeriodicSite: Li (13.38, 3.435, 20.25) [0.6589, 0.1691, 0.9967]\n", + " PeriodicSite: Li (16.99, 15.31, 8.282) [0.8362, 0.7539, 0.4077]\n", + " PeriodicSite: Li (13.9, 13.58, 1.345) [0.6845, 0.6686, 0.06623]\n", + " PeriodicSite: Li (5.442, 1.608, 2.877) [0.2679, 0.07914, 0.1417]\n", + " PeriodicSite: Li (4.216, 2.549, 19.47) [0.2076, 0.1255, 0.9586]\n", + " PeriodicSite: Li (1.832, 13.46, 5.323) [0.09021, 0.6628, 0.2621]\n", + " PeriodicSite: Li (19.38, 11.27, 2.62) [0.9539, 0.5551, 0.129]\n", + " PeriodicSite: Li (10.32, 2.053, 7.664) [0.5081, 0.1011, 0.3773]\n", + " PeriodicSite: Li (17.07, 0.3147, 17.13) [0.8402, 0.01549, 0.8432]\n", + " PeriodicSite: Li (15.08, 11.72, 7.123) [0.7423, 0.5769, 0.3507]\n", + " PeriodicSite: Li (14.72, 11.99, 17.3) [0.7247, 0.5904, 0.8517]\n", + " PeriodicSite: Li (3.161, 10.59, 17.31) [0.1556, 0.5213, 0.8522]\n", + " PeriodicSite: Li (2.393, 10.83, 8.329) [0.1178, 0.5333, 0.4101]\n", + " PeriodicSite: Li (3.867, 16.59, 19.53) [0.1904, 0.8169, 0.9615]\n", + " PeriodicSite: Li (1.561, 1.381, 10.63) [0.07684, 0.068, 0.5233]\n", + " PeriodicSite: Li (13.53, 5.724, 2.11) [0.6659, 0.2818, 0.1039]\n", + " PeriodicSite: Li (12.88, 10.85, 15.28) [0.6343, 0.5341, 0.7521]\n", + " PeriodicSite: Li (11.39, 14.32, 7.221) [0.5608, 0.7051, 0.3555]\n", + " PeriodicSite: Li (14.91, 18.13, 13.56) [0.7342, 0.8926, 0.6676]\n", + " PeriodicSite: Li (3.384, 6.601, 0.1868) [0.1666, 0.325, 0.009196]\n", + " PeriodicSite: Li (3.027, 4.606, 11.61) [0.149, 0.2268, 0.5715]\n", + " PeriodicSite: Li (6.37, 16.93, 1.729) [0.3136, 0.8334, 0.08513]\n", + " PeriodicSite: Li (3.804, 17.98, 14.71) [0.1873, 0.8849, 0.724]\n", + " PeriodicSite: Li (16.86, 6.793, 0.03995) [0.8302, 0.3344, 0.001972]\n", + " PeriodicSite: Li (11.19, 5.679, 12.78) [0.551, 0.2796, 0.6292]\n", + " PeriodicSite: Li (13.14, 19.16, 4.685) [0.6469, 0.9431, 0.2307]\n", + " PeriodicSite: Li (11.07, 17.49, 14.45) [0.5449, 0.8608, 0.7114]\n", + " PeriodicSite: Li (0.6162, 7.878, 1.006) [0.03033, 0.3879, 0.0495]\n", + " PeriodicSite: Li (4.861, 7.247, 10.87) [0.2393, 0.3568, 0.5353]\n", + " PeriodicSite: Li (3.552, 15.72, 2.016) [0.1749, 0.7741, 0.09926]\n", + " PeriodicSite: Li (3.197, 17.33, 10.29) [0.1574, 0.8532, 0.5066]\n", + " PeriodicSite: Li (12.45, 9.686, 0.7214) [0.6129, 0.4768, 0.03552]\n", + " PeriodicSite: Li (12.08, 7.606, 14.67) [0.5946, 0.3744, 0.722]\n", + " PeriodicSite: Li (12.09, 15.53, 3.835) [0.595, 0.7646, 0.1888]\n", + " PeriodicSite: Li (13.31, 15.8, 11.83) [0.6554, 0.7777, 0.5823]\n", + " PeriodicSite: Li (1.652, 7.438, 4.642) [0.08131, 0.3662, 0.2285]\n", + " PeriodicSite: Li (16.96, 4.883, 10.27) [0.8351, 0.2404, 0.5055]\n", + " PeriodicSite: Li (1.93, 16.96, 4.596) [0.095, 0.8349, 0.2263]\n", + " PeriodicSite: Li (0.199, 18.5, 11.77) [0.009791, 0.9109, 0.5796]\n", + " PeriodicSite: Li (10.36, 6.533, 2.822) [0.5103, 0.3216, 0.1389]\n", + " PeriodicSite: Li (14.75, 8.539, 13.12) [0.7261, 0.4204, 0.6461]\n", + " PeriodicSite: Li (12.82, 17.22, 0.2601) [0.631, 0.8478, 0.01281]\n", + " PeriodicSite: Li (8.538, 16.66, 15.83) [0.4203, 0.8203, 0.7793]\n", + " PeriodicSite: Li (4.811, 8.349, 2.768) [0.2368, 0.411, 0.1363]\n", + " PeriodicSite: Li (2.332, 9.412, 10.85) [0.1148, 0.4633, 0.5341]\n", + " PeriodicSite: Li (0.2609, 18.18, 2.225) [0.01284, 0.8949, 0.1095]\n", + " PeriodicSite: Li (3.08, 20.02, 13.42) [0.1516, 0.9856, 0.6605]\n", + " PeriodicSite: Li (15.62, 8.916, 3.428) [0.769, 0.439, 0.1688]\n", + " PeriodicSite: Li (12.59, 7.433, 9.9) [0.62, 0.3659, 0.4874]\n", + " PeriodicSite: Li (11.79, 20.07, 2.163) [0.5804, 0.9881, 0.1065]\n", + " PeriodicSite: Li (13.99, 16.35, 8.892) [0.6887, 0.8049, 0.4378]\n", + " PeriodicSite: Li (5.538, 4.837, 1.883) [0.2727, 0.2381, 0.09269]\n", + " PeriodicSite: Li (3.618, 7.78, 14.89) [0.1781, 0.383, 0.7329]\n", + " PeriodicSite: Li (5.045, 18.26, 3.706) [0.2484, 0.8989, 0.1824]\n", + " PeriodicSite: Li (2.222, 15.57, 13.44) [0.1094, 0.7668, 0.6615]\n", + " PeriodicSite: Li (13.0, 11.28, 5.089) [0.64, 0.5552, 0.2505]\n", + " PeriodicSite: Li (14.24, 5.862, 12.31) [0.701, 0.2886, 0.6059]\n", + " PeriodicSite: Li (14.83, 17.37, 2.056) [0.73, 0.8551, 0.1012]\n", + " PeriodicSite: Li (14.76, 2.294, 15.98) [0.7266, 0.113, 0.7868]\n", + " PeriodicSite: Li (9.81, 3.353, 3.248) [0.483, 0.1651, 0.1599]\n", + " PeriodicSite: Li (9.8, 3.523, 13.82) [0.4825, 0.1734, 0.6802]\n", + " PeriodicSite: Li (6.798, 10.41, 3.054) [0.3347, 0.5123, 0.1504]\n", + " PeriodicSite: Li (3.039, 10.27, 13.99) [0.1496, 0.5056, 0.6886]\n", + " PeriodicSite: Li (17.22, 1.75, 5.071) [0.8476, 0.08613, 0.2497]\n", + " PeriodicSite: Li (12.53, 3.947, 9.589) [0.617, 0.1943, 0.4721]\n", + " PeriodicSite: Li (18.58, 12.37, 0.4206) [0.9146, 0.6092, 0.02071]\n", + " PeriodicSite: Li (17.19, 10.31, 13.08) [0.8464, 0.5074, 0.6439]\n", + " PeriodicSite: Li (7.03, 20.19, 4.751) [0.3461, 0.9937, 0.2339]\n", + " PeriodicSite: Li (6.29, 2.144, 15.15) [0.3097, 0.1056, 0.7461]\n", + " PeriodicSite: Li (8.432, 11.27, 19.12) [0.4151, 0.5547, 0.9413]\n", + " PeriodicSite: Li (9.663, 13.38, 13.4) [0.4757, 0.6589, 0.6596]\n", + " PeriodicSite: Li (15.27, 20.03, 3.207) [0.7519, 0.9862, 0.1579]\n", + " PeriodicSite: Li (19.84, 1.784, 12.49) [0.9768, 0.08782, 0.6149]\n", + " PeriodicSite: Li (18.37, 13.52, 4.9) [0.9046, 0.6656, 0.2413]\n", + " PeriodicSite: Li (16.69, 15.08, 12.34) [0.8215, 0.7425, 0.6074]\n", + " PeriodicSite: Li (8.5, 5.416, 6.672) [0.4185, 0.2666, 0.3285]\n", + " PeriodicSite: Li (9.988, 0.4531, 12.11) [0.4917, 0.0223, 0.596]\n", + " PeriodicSite: Li (9.874, 13.64, 3.318) [0.4861, 0.6713, 0.1634]\n", + " PeriodicSite: Li (5.791, 13.34, 11.61) [0.2851, 0.6565, 0.5714]\n", + " PeriodicSite: Li (19.5, 1.266, 2.013) [0.9602, 0.06232, 0.0991]\n", + " PeriodicSite: Li (18.47, 4.644, 13.15) [0.9091, 0.2286, 0.6476]\n", + " PeriodicSite: Li (17.01, 15.44, 2.051) [0.8373, 0.7601, 0.101]\n", + " PeriodicSite: Li (14.9, 12.17, 13.25) [0.7336, 0.5989, 0.6523]\n", + " PeriodicSite: Li (2.797, 19.91, 3.667) [0.1377, 0.9802, 0.1805]\n", + " PeriodicSite: Li (6.174, 0.111, 13.12) [0.3039, 0.005465, 0.6457]\n", + " PeriodicSite: Li (5.74, 13.49, 2.284) [0.2826, 0.6641, 0.1124]\n", + " PeriodicSite: Li (7.628, 7.617, 15.29) [0.3755, 0.375, 0.7525]\n", + " PeriodicSite: Li (18.93, 4.185, 3.382) [0.9322, 0.206, 0.1665]\n", + " PeriodicSite: Li (17.25, 0.246, 14.07) [0.8492, 0.01211, 0.6926]\n", + " PeriodicSite: Li (16.49, 14.29, 19.17) [0.8116, 0.7037, 0.9436]\n", + " PeriodicSite: Li (19.46, 11.98, 11.55) [0.958, 0.5899, 0.5687]\n", + " PeriodicSite: Li (6.94, 3.43, 0.09493) [0.3417, 0.1689, 0.004676]\n", + " PeriodicSite: Li (5.511, 3.067, 11.98) [0.2713, 0.151, 0.5898]\n", + " PeriodicSite: Li (9.745, 11.53, 1.807) [0.4797, 0.5679, 0.08897]\n", + " PeriodicSite: Li (8.056, 11.02, 10.84) [0.3966, 0.5425, 0.5339]\n", + " PeriodicSite: Li (15.35, 3.107, 2.018) [0.7558, 0.1529, 0.09935]\n", + " PeriodicSite: Li (15.36, 3.047, 11.38) [0.756, 0.15, 0.5603]\n", + " PeriodicSite: Li (0.2167, 12.3, 18.73) [0.01067, 0.6054, 0.9222]\n", + " PeriodicSite: Li (19.31, 14.28, 13.34) [0.9509, 0.7032, 0.6567]\n", + " PeriodicSite: Li (8.217, 0.4892, 1.185) [0.4045, 0.02408, 0.05835]\n", + " PeriodicSite: Li (7.978, 2.093, 10.82) [0.3928, 0.103, 0.5328]\n", + " PeriodicSite: Li (7.054, 12.27, 4.707) [0.3473, 0.6042, 0.2317]\n", + " PeriodicSite: Li (5.092, 16.55, 12.06) [0.2507, 0.8147, 0.5939]\n", + " PeriodicSite: Li (17.44, 3.81, 0.6971) [0.8584, 0.1876, 0.03433]\n", + " PeriodicSite: Li (0.4189, 7.284, 13.36) [0.02062, 0.3586, 0.6578]\n", + " PeriodicSite: Li (3.514, 15.08, 7.86) [0.173, 0.7423, 0.387]\n", + " PeriodicSite: Li (16.75, 13.25, 10.59) [0.8246, 0.6525, 0.5213]\n", + " PeriodicSite: Li (13.77, 8.452, 5.557) [0.6777, 0.4161, 0.2736]\n", + " PeriodicSite: Li (4.93, 8.105, 17.23) [0.2427, 0.399, 0.8481]\n", + " PeriodicSite: Li (6.938, 16.91, 9.805) [0.3416, 0.8323, 0.4827]\n", + " PeriodicSite: Li (6.21, 15.3, 18.49) [0.3057, 0.7531, 0.9101]\n", + " PeriodicSite: Li (15.94, 9.531, 7.118) [0.7847, 0.4692, 0.3504]\n", + " PeriodicSite: Li (2.948, 4.57, 18.22) [0.1451, 0.225, 0.897]\n", + " PeriodicSite: Li (17.31, 18.48, 5.591) [0.8523, 0.9096, 0.2753]\n", + " PeriodicSite: Li (19.91, 18.18, 18.81) [0.9799, 0.8951, 0.9259]\n", + " PeriodicSite: Li (7.354, 9.533, 5.815) [0.3621, 0.4693, 0.2863]\n", + " PeriodicSite: Li (8.868, 5.596, 17.67) [0.4366, 0.2755, 0.87]\n", + " PeriodicSite: Li (7.675, 19.75, 8.168) [0.3779, 0.9722, 0.4021]\n", + " PeriodicSite: Li (6.788, 19.03, 15.46) [0.3342, 0.9371, 0.7609]\n", + " PeriodicSite: Li (18.26, 8.012, 10.15) [0.8991, 0.3945, 0.4999]\n", + " PeriodicSite: Li (17.83, 6.475, 15.71) [0.8777, 0.3187, 0.7732]\n", + " PeriodicSite: Li (17.61, 20.1, 8.209) [0.8669, 0.9895, 0.4041]\n", + " PeriodicSite: Li (18.47, 15.8, 16.49) [0.9093, 0.7779, 0.8117]\n", + " PeriodicSite: Li (6.54, 5.226, 8.576) [0.322, 0.2573, 0.4222]\n", + " PeriodicSite: Li (5.593, 5.677, 17.64) [0.2754, 0.2795, 0.8686]\n", + " PeriodicSite: Li (9.635, 18.17, 9.338) [0.4744, 0.8946, 0.4597]\n", + " PeriodicSite: Li (12.59, 14.63, 14.98) [0.6199, 0.7201, 0.7376]\n", + " PeriodicSite: Li (19.56, 9.554, 7.814) [0.9629, 0.4703, 0.3847]\n", + " PeriodicSite: Li (20.07, 6.868, 17.07) [0.9879, 0.3381, 0.8404]\n", + " PeriodicSite: Li (17.01, 17.13, 9.957) [0.8374, 0.8434, 0.4902]\n", + " PeriodicSite: Li (15.92, 17.54, 19.24) [0.7838, 0.8636, 0.9474]\n", + " PeriodicSite: Li (8.673, 7.998, 9.466) [0.427, 0.3937, 0.466]\n", + " PeriodicSite: Li (6.759, 7.158, 19.77) [0.3328, 0.3524, 0.9731]\n", + " PeriodicSite: Li (5.382, 17.7, 7.401) [0.265, 0.8714, 0.3644]\n", + " PeriodicSite: Li (7.712, 14.48, 0.8815) [0.3797, 0.7129, 0.0434]\n", + " PeriodicSite: Li (15.32, 6.743, 8.088) [0.7541, 0.3319, 0.3982]\n", + " PeriodicSite: Li (18.54, 10.02, 18.68) [0.9128, 0.4935, 0.9198]\n", + " PeriodicSite: Li (15.2, 18.27, 7.051) [0.7482, 0.8993, 0.3471]\n", + " PeriodicSite: Li (15.64, 18.13, 16.87) [0.7702, 0.8924, 0.8308]\n", + " PeriodicSite: Li (6.837, 5.279, 11.61) [0.3366, 0.2599, 0.5717]\n", + " PeriodicSite: Li (6.799, 9.795, 17.2) [0.3347, 0.4822, 0.8468]\n", + " PeriodicSite: Li (9.239, 17.42, 5.905) [0.4549, 0.8576, 0.2907]\n", + " PeriodicSite: Li (10.36, 17.43, 3.028) [0.5102, 0.858, 0.1491]\n", + " PeriodicSite: Li (17.96, 7.929, 5.276) [0.8841, 0.3903, 0.2597]\n", + " PeriodicSite: Li (16.02, 4.866, 18.31) [0.7887, 0.2396, 0.9017]\n", + " PeriodicSite: Li (19.6, 17.26, 6.958) [0.9648, 0.8498, 0.3426]\n", + " PeriodicSite: Li (17.35, 1.011, 0.4676) [0.8542, 0.04976, 0.02302]\n", + " PeriodicSite: Li (3.51, 10.76, 3.535) [0.1728, 0.5299, 0.174]\n", + " PeriodicSite: Li (9.836, 7.988, 18.44) [0.4843, 0.3932, 0.9077]\n", + " PeriodicSite: Li (8.137, 15.35, 7.899) [0.4006, 0.7555, 0.3889]\n", + " PeriodicSite: Li (7.435, 20.15, 17.92) [0.366, 0.9918, 0.8821]\n", + " PeriodicSite: Li (18.45, 5.724, 7.132) [0.9081, 0.2818, 0.3511]\n", + " PeriodicSite: Li (17.16, 12.15, 15.14) [0.845, 0.598, 0.7455]\n", + " PeriodicSite: Li (19.98, 14.32, 2.712) [0.9838, 0.7049, 0.1335]\n", + " PeriodicSite: Li (13.5, 0.07936, 13.96) [0.6648, 0.003902, 0.6872]\n", + " PeriodicSite: Cl (7.577, 12.15, 12.78) [0.373, 0.5983, 0.6289]\n", + " PeriodicSite: Cl (2.392, 12.7, 17.78) [0.1178, 0.6254, 0.8754]\n", + " PeriodicSite: Cl (12.9, 17.82, 13.04) [0.6349, 0.8771, 0.6422]\n", + " PeriodicSite: Cl (17.51, 7.509, 17.89) [0.8618, 0.3697, 0.8809]\n", + " PeriodicSite: Cl (7.566, 2.62, 2.117) [0.3725, 0.129, 0.1042]\n", + " PeriodicSite: Cl (7.255, 7.563, 7.624) [0.3572, 0.3723, 0.3753]\n", + " PeriodicSite: Cl (12.81, 12.4, 7.541) [0.6305, 0.6104, 0.3712]\n", + " PeriodicSite: Cl (2.603, 7.859, 2.196) [0.1281, 0.3869, 0.1081]\n", + " PeriodicSite: Cl (2.347, 8.295, 12.82) [0.1155, 0.4084, 0.6311]\n", + " PeriodicSite: Cl (12.79, 13.36, 16.95) [0.6296, 0.6576, 0.8345]\n", + " PeriodicSite: Cl (17.69, 17.96, 17.64) [0.8709, 0.8841, 0.8683]\n", + " PeriodicSite: Cl (2.369, 2.199, 7.612) [0.1166, 0.1083, 0.3748]\n", + " PeriodicSite: Cl (12.44, 2.537, 17.73) [0.6126, 0.1249, 0.873]\n", + " PeriodicSite: Cl (12.75, 7.728, 2.107) [0.6275, 0.3805, 0.1038]\n", + " PeriodicSite: Cl (17.24, 2.387, 12.8) [0.8486, 0.1175, 0.6302]\n", + " PeriodicSite: Cl (7.577, 17.93, 17.4) [0.373, 0.8825, 0.8567]\n", + " PeriodicSite: Cl (19.87, 20.08, 0.3758) [0.9783, 0.9888, 0.01851]\n", + " PeriodicSite: Cl (20.25, 0.2066, 10.41) [0.9967, 0.01016, 0.5125]\n", + " PeriodicSite: Cl (19.96, 10.52, 0.1693) [0.9827, 0.518, 0.008341]\n", + " PeriodicSite: Cl (0.63, 10.44, 9.74) [0.03101, 0.5141, 0.4795]\n", + " PeriodicSite: Cl (10.09, 20.17, 20.2) [0.4968, 0.993, 0.9944]\n", + " PeriodicSite: Cl (9.841, 0.3907, 9.758) [0.4845, 0.01923, 0.4804]\n", + " PeriodicSite: Cl (10.26, 10.42, 0.05705) [0.5052, 0.513, 0.002812]\n", + " PeriodicSite: Cl (9.95, 9.798, 10.01) [0.4898, 0.4824, 0.4929]\n", + " PeriodicSite: Cl (20.22, 4.577, 5.431) [0.9956, 0.2253, 0.2674]\n", + " PeriodicSite: Cl (20.02, 5.275, 15.01) [0.9856, 0.2597, 0.7388]\n", + " PeriodicSite: Cl (0.24, 15.23, 5.137) [0.01181, 0.7495, 0.2529]\n", + " PeriodicSite: Cl (0.1543, 15.62, 15.14) [0.007595, 0.7689, 0.7456]\n", + " PeriodicSite: Cl (9.95, 4.929, 4.921) [0.4899, 0.2427, 0.2423]\n", + " PeriodicSite: Cl (10.47, 5.248, 15.2) [0.5154, 0.2584, 0.7483]\n", + " PeriodicSite: Cl (10.09, 15.34, 4.841) [0.4969, 0.7554, 0.2383]\n", + " PeriodicSite: Cl (10.2, 15.05, 15.0) [0.5024, 0.7408, 0.7386]\n", + " PeriodicSite: S (4.669, 0.09388, 5.106) [0.2299, 0.00462, 0.2514]\n", + " PeriodicSite: S (4.816, 20.28, 15.17) [0.2371, 0.9986, 0.7471]\n", + " PeriodicSite: S (5.265, 9.989, 4.847) [0.2592, 0.4918, 0.2386]\n", + " PeriodicSite: S (4.956, 9.922, 15.47) [0.244, 0.4885, 0.7618]\n", + " PeriodicSite: S (14.99, 20.18, 5.51) [0.7378, 0.9935, 0.2713]\n", + " PeriodicSite: S (15.05, 20.25, 15.56) [0.7409, 0.9971, 0.7658]\n", + " PeriodicSite: S (15.34, 10.3, 5.336) [0.7551, 0.5071, 0.2627]\n", + " PeriodicSite: S (15.23, 10.54, 15.07) [0.7498, 0.5189, 0.7418]\n", + " PeriodicSite: S (5.031, 5.092, 19.93) [0.2477, 0.2507, 0.9813]\n", + " PeriodicSite: S (4.92, 4.854, 10.24) [0.2422, 0.239, 0.5039]\n", + " PeriodicSite: S (5.385, 15.16, 0.4034) [0.2651, 0.7463, 0.01986]\n", + " PeriodicSite: S (4.902, 15.46, 9.89) [0.2413, 0.761, 0.4869]\n", + " PeriodicSite: S (15.39, 4.888, 0.2796) [0.7575, 0.2407, 0.01377]\n", + " PeriodicSite: S (14.59, 5.148, 10.09) [0.7183, 0.2534, 0.4966]\n", + " PeriodicSite: S (15.05, 15.79, 0.1946) [0.7408, 0.7772, 0.009586]\n", + " PeriodicSite: S (15.23, 15.15, 10.5) [0.7497, 0.7458, 0.5167]\n", + " PeriodicSite: S (8.657, 3.903, 9.309) [0.4262, 0.1921, 0.4583]\n", + " PeriodicSite: S (9.063, 3.85, 19.43) [0.4462, 0.1896, 0.9564]\n", + " PeriodicSite: S (9.565, 13.72, 9.058) [0.4709, 0.6754, 0.4459]\n", + " PeriodicSite: S (8.739, 14.07, 19.23) [0.4302, 0.6926, 0.9468]\n", + " PeriodicSite: S (19.04, 4.03, 8.95) [0.9374, 0.1984, 0.4406]\n", + " PeriodicSite: S (18.96, 3.83, 19.08) [0.9333, 0.1886, 0.9395]\n", + " PeriodicSite: S (18.79, 13.81, 9.352) [0.9252, 0.68, 0.4604]\n", + " PeriodicSite: S (19.23, 13.95, 19.15) [0.9469, 0.6868, 0.9427]\n", + " PeriodicSite: S (3.588, 0.9603, 1.077) [0.1766, 0.04728, 0.05303]\n", + " PeriodicSite: S (3.872, 0.8591, 11.59) [0.1906, 0.04229, 0.5707]\n", + " PeriodicSite: S (3.939, 11.24, 1.069) [0.1939, 0.5532, 0.05265]\n", + " PeriodicSite: S (4.047, 11.49, 11.43) [0.1993, 0.5658, 0.5628]\n", + " PeriodicSite: S (13.71, 1.043, 1.291) [0.6747, 0.05134, 0.06358]\n", + " PeriodicSite: S (13.7, 0.9769, 11.56) [0.6745, 0.04809, 0.5693]\n", + " PeriodicSite: S (14.43, 11.08, 1.588) [0.7106, 0.5457, 0.07816]\n", + " PeriodicSite: S (13.73, 10.96, 11.28) [0.6762, 0.5396, 0.5553]\n", + " PeriodicSite: S (6.291, 1.159, 9.134) [0.3097, 0.05706, 0.4497]\n", + " PeriodicSite: S (6.245, 1.201, 19.46) [0.3075, 0.05913, 0.9583]\n", + " PeriodicSite: S (6.591, 11.47, 9.203) [0.3245, 0.5646, 0.4531]\n", + " PeriodicSite: S (5.731, 11.43, 18.69) [0.2822, 0.5626, 0.9202]\n", + " PeriodicSite: S (15.87, 1.306, 9.167) [0.7811, 0.0643, 0.4513]\n", + " PeriodicSite: S (16.05, 1.555, 19.14) [0.7901, 0.07654, 0.9423]\n", + " PeriodicSite: S (16.55, 11.18, 9.26) [0.8146, 0.5503, 0.4559]\n", + " PeriodicSite: S (16.44, 11.48, 19.28) [0.8092, 0.5653, 0.9491]\n", + " PeriodicSite: S (0.9765, 3.487, 1.299) [0.04807, 0.1716, 0.06396]\n", + " PeriodicSite: S (0.7281, 3.739, 11.56) [0.03585, 0.1841, 0.569]\n", + " PeriodicSite: S (1.436, 14.37, 1.043) [0.07069, 0.7073, 0.05136]\n", + " PeriodicSite: S (0.8524, 13.84, 11.86) [0.04196, 0.6815, 0.5838]\n", + " PeriodicSite: S (11.3, 4.314, 1.226) [0.5564, 0.2124, 0.06036]\n", + " PeriodicSite: S (10.98, 3.733, 11.63) [0.5405, 0.1838, 0.5726]\n", + " PeriodicSite: S (11.26, 14.02, 1.24) [0.5543, 0.6904, 0.06105]\n", + " PeriodicSite: S (11.61, 14.41, 11.67) [0.5715, 0.7096, 0.5747]\n", + " PeriodicSite: S (2.269, 2.225, 17.72) [0.1117, 0.1095, 0.8726]\n", + " PeriodicSite: S (2.936, 12.84, 7.545) [0.1445, 0.6321, 0.3715]\n", + " PeriodicSite: S (12.73, 2.455, 7.551) [0.6268, 0.1209, 0.3718]\n", + " PeriodicSite: S (9.135, 8.836, 3.967) [0.4497, 0.435, 0.1953]\n", + " PeriodicSite: S (8.81, 9.17, 14.05) [0.4337, 0.4514, 0.6919]\n", + " PeriodicSite: S (9.129, 19.03, 4.015) [0.4494, 0.9369, 0.1977]\n", + " PeriodicSite: S (8.96, 18.89, 14.01) [0.4411, 0.9298, 0.6896]\n", + " PeriodicSite: S (19.5, 9.075, 3.945) [0.96, 0.4468, 0.1942]\n", + " PeriodicSite: S (18.84, 8.747, 14.69) [0.9274, 0.4306, 0.7232]\n", + " PeriodicSite: S (18.9, 18.8, 4.082) [0.9307, 0.9255, 0.201]\n", + " PeriodicSite: S (19.18, 18.94, 14.05) [0.9442, 0.9324, 0.6917]\n", + " PeriodicSite: S (3.757, 6.208, 6.093) [0.1849, 0.3056, 0.3]\n", + " PeriodicSite: S (3.961, 5.993, 16.26) [0.195, 0.295, 0.8006]\n", + " PeriodicSite: S (3.838, 16.53, 6.195) [0.1889, 0.814, 0.305]\n", + " PeriodicSite: S (3.779, 16.36, 16.6) [0.1861, 0.8054, 0.8174]\n", + " PeriodicSite: S (13.95, 6.109, 6.231) [0.6867, 0.3008, 0.3067]\n", + " PeriodicSite: S (13.84, 6.075, 16.8) [0.6813, 0.2991, 0.8272]\n", + " PeriodicSite: S (13.61, 16.05, 6.291) [0.6699, 0.7904, 0.3097]\n", + " PeriodicSite: S (13.93, 16.45, 16.39) [0.6857, 0.8099, 0.8071]\n", + " PeriodicSite: S (6.186, 6.401, 3.739) [0.3045, 0.3151, 0.1841]\n", + " PeriodicSite: S (5.898, 6.522, 13.54) [0.2904, 0.3211, 0.6666]\n", + " PeriodicSite: S (6.488, 16.43, 4.147) [0.3194, 0.8089, 0.2042]\n", + " PeriodicSite: S (6.184, 16.73, 14.29) [0.3045, 0.8238, 0.7037]\n", + " PeriodicSite: S (16.37, 6.483, 3.817) [0.8057, 0.3192, 0.1879]\n", + " PeriodicSite: S (15.89, 6.713, 14.02) [0.7821, 0.3305, 0.6904]\n", + " PeriodicSite: S (16.25, 16.64, 4.127) [0.8, 0.819, 0.2032]\n", + " PeriodicSite: S (16.86, 16.81, 14.59) [0.8302, 0.8274, 0.7184]\n", + " PeriodicSite: S (1.318, 8.977, 6.578) [0.06488, 0.4419, 0.3238]\n", + " PeriodicSite: S (1.432, 9.086, 16.24) [0.07052, 0.4473, 0.7994]\n", + " PeriodicSite: S (1.06, 18.67, 6.079) [0.05218, 0.919, 0.2993]\n", + " PeriodicSite: S (1.058, 19.45, 16.51) [0.0521, 0.9576, 0.8129]\n", + " PeriodicSite: S (11.63, 9.401, 6.41) [0.5725, 0.4628, 0.3156]\n", + " PeriodicSite: S (11.39, 9.217, 16.53) [0.5609, 0.4538, 0.8137]\n", + " PeriodicSite: S (11.4, 19.34, 6.543) [0.5614, 0.952, 0.3221]\n", + " PeriodicSite: S (11.17, 18.86, 16.44) [0.5499, 0.9283, 0.8096]\n", + " PeriodicSite: S (2.865, 17.73, 2.394) [0.141, 0.8728, 0.1179]\n", + " PeriodicSite: S (2.537, 17.82, 12.71) [0.1249, 0.8775, 0.6258]\n", + " PeriodicSite: S (12.48, 7.564, 12.26) [0.6146, 0.3724, 0.6037]\n", + " PeriodicSite: S (12.49, 17.8, 2.488) [0.615, 0.8761, 0.1225]\n", + " PeriodicSite: S (4.054, 3.914, 3.577) [0.1996, 0.1927, 0.1761]\n", + " PeriodicSite: S (4.281, 3.763, 13.79) [0.2107, 0.1853, 0.6789]\n", + " PeriodicSite: S (3.871, 14.13, 3.927) [0.1906, 0.6954, 0.1933]\n", + " PeriodicSite: S (4.347, 14.12, 14.1) [0.214, 0.6952, 0.6943]\n", + " PeriodicSite: S (14.0, 4.053, 3.813) [0.6895, 0.1995, 0.1877]\n", + " PeriodicSite: S (13.71, 4.168, 14.27) [0.6751, 0.2052, 0.7026]\n", + " PeriodicSite: S (14.01, 13.88, 3.771) [0.6897, 0.6835, 0.1857]\n", + " PeriodicSite: S (14.57, 14.5, 13.93) [0.7173, 0.7137, 0.6856]\n", + " PeriodicSite: S (8.718, 1.261, 6.081) [0.4292, 0.0621, 0.2994]\n", + " PeriodicSite: S (8.943, 1.033, 16.38) [0.4403, 0.05087, 0.8063]\n", + " PeriodicSite: S (9.157, 11.48, 6.003) [0.4508, 0.565, 0.2955]\n", + " PeriodicSite: S (8.593, 11.26, 16.59) [0.4231, 0.5543, 0.8169]\n", + " PeriodicSite: S (19.09, 0.8713, 6.38) [0.9399, 0.04289, 0.3141]\n", + " PeriodicSite: S (18.93, 1.467, 15.95) [0.9321, 0.07219, 0.7851]\n", + " PeriodicSite: S (19.28, 11.47, 6.508) [0.949, 0.5645, 0.3204]\n", + " PeriodicSite: S (18.97, 11.3, 16.68) [0.934, 0.5563, 0.8213]\n", + " PeriodicSite: S (0.8879, 1.068, 4.079) [0.04371, 0.05258, 0.2008]\n", + " PeriodicSite: S (1.345, 1.254, 13.84) [0.06623, 0.06173, 0.6814]\n", + " PeriodicSite: S (1.307, 11.6, 4.105) [0.06436, 0.5713, 0.2021]\n", + " PeriodicSite: S (0.4972, 11.18, 13.77) [0.02448, 0.5506, 0.6777]\n", + " PeriodicSite: S (11.23, 1.225, 3.85) [0.5529, 0.0603, 0.1896]\n", + " PeriodicSite: S (11.14, 1.172, 14.05) [0.5486, 0.05771, 0.6918]\n", + " PeriodicSite: S (11.32, 11.16, 3.479) [0.5573, 0.5495, 0.1713]\n", + " PeriodicSite: S (10.97, 11.61, 14.03) [0.54, 0.5715, 0.6909]\n", + " PeriodicSite: S (6.231, 4.022, 6.332) [0.3067, 0.198, 0.3117]\n", + " PeriodicSite: S (6.796, 4.276, 16.1) [0.3346, 0.2105, 0.7924]\n", + " PeriodicSite: S (6.09, 13.98, 6.438) [0.2998, 0.6881, 0.317]\n", + " PeriodicSite: S (6.765, 14.31, 16.44) [0.3331, 0.7044, 0.8092]\n", + " PeriodicSite: S (16.31, 4.089, 6.452) [0.8027, 0.2013, 0.3176]\n", + " PeriodicSite: S (16.76, 4.165, 16.07) [0.825, 0.205, 0.7913]\n", + " PeriodicSite: S (16.52, 14.39, 6.184) [0.8131, 0.7086, 0.3045]\n", + " PeriodicSite: S (16.48, 14.22, 16.68) [0.8112, 0.6998, 0.8209]\n", + " PeriodicSite: S (7.576, 2.173, 13.06) [0.373, 0.107, 0.6429]\n", + " PeriodicSite: S (7.741, 12.57, 2.596) [0.3811, 0.6189, 0.1278]\n", + " PeriodicSite: S (17.45, 2.276, 2.584) [0.8591, 0.112, 0.1272]\n", + " PeriodicSite: S (17.95, 12.98, 2.479) [0.8836, 0.6389, 0.122]\n", + " PeriodicSite: S (17.45, 12.93, 12.81) [0.8593, 0.6365, 0.6306]\n", + " PeriodicSite: S (4.091, 9.094, 8.935) [0.2014, 0.4477, 0.4399]\n", + " PeriodicSite: S (3.675, 8.891, 18.98) [0.1809, 0.4377, 0.9344]\n", + " PeriodicSite: S (4.129, 18.93, 8.94) [0.2033, 0.932, 0.4402]\n", + " PeriodicSite: S (4.16, 19.07, 18.99) [0.2048, 0.9391, 0.935]\n", + " PeriodicSite: S (14.1, 8.865, 8.863) [0.6941, 0.4365, 0.4363]\n", + " PeriodicSite: S (14.29, 9.112, 19.33) [0.7037, 0.4486, 0.9516]\n", + " PeriodicSite: S (13.89, 19.04, 9.322) [0.684, 0.9371, 0.459]\n", + " PeriodicSite: S (13.99, 19.25, 18.76) [0.689, 0.9477, 0.9235]\n", + " PeriodicSite: S (9.05, 6.793, 0.6115) [0.4456, 0.3344, 0.03011]\n", + " PeriodicSite: S (9.077, 6.392, 11.58) [0.4469, 0.3147, 0.5702]\n", + " PeriodicSite: S (8.943, 16.6, 1.001) [0.4403, 0.8171, 0.04928]\n", + " PeriodicSite: S (9.148, 16.57, 11.29) [0.4504, 0.8159, 0.5558]\n", + " PeriodicSite: S (19.06, 6.01, 1.373) [0.9386, 0.2959, 0.06762]\n", + " PeriodicSite: S (18.98, 6.153, 11.38) [0.9345, 0.3029, 0.5601]\n", + " PeriodicSite: S (19.2, 16.6, 0.8878) [0.945, 0.8173, 0.04371]\n", + " PeriodicSite: S (18.92, 16.42, 11.25) [0.9313, 0.8084, 0.5541]\n", + " PeriodicSite: S (1.469, 6.161, 9.447) [0.07233, 0.3033, 0.4651]\n", + " PeriodicSite: S (1.087, 6.108, 19.32) [0.05351, 0.3007, 0.9512]\n", + " PeriodicSite: S (1.071, 15.87, 9.048) [0.05272, 0.7811, 0.4454]\n", + " PeriodicSite: S (1.254, 16.39, 18.88) [0.06171, 0.8071, 0.9294]\n", + " PeriodicSite: S (11.08, 5.964, 9.021) [0.5457, 0.2936, 0.4441]\n", + " PeriodicSite: S (11.15, 5.888, 18.54) [0.549, 0.2899, 0.913]\n", + " PeriodicSite: S (11.49, 16.38, 8.875) [0.5657, 0.8066, 0.4369]\n", + " PeriodicSite: S (11.22, 16.32, 18.96) [0.5524, 0.8033, 0.9333]\n", + " PeriodicSite: S (6.379, 9.113, 0.8196) [0.314, 0.4486, 0.04035]\n", + " PeriodicSite: S (6.456, 9.058, 11.35) [0.3178, 0.4459, 0.5587]\n", + " PeriodicSite: S (6.208, 19.29, 1.591) [0.3056, 0.9497, 0.07834]\n", + " PeriodicSite: S (6.758, 18.96, 11.07) [0.3327, 0.9332, 0.5451]\n", + " PeriodicSite: S (17.06, 8.934, 1.185) [0.8399, 0.4398, 0.05836]\n", + " PeriodicSite: S (16.42, 8.818, 11.45) [0.8084, 0.4341, 0.5638]\n", + " PeriodicSite: S (16.25, 19.26, 0.8074) [0.7999, 0.9483, 0.03975]\n", + " PeriodicSite: S (16.6, 19.13, 11.43) [0.8174, 0.9415, 0.5627]\n", + " PeriodicSite: S (7.337, 7.525, 17.64) [0.3612, 0.3704, 0.8685]\n", + " PeriodicSite: S (7.784, 17.66, 7.728) [0.3832, 0.8693, 0.3804]\n", + " PeriodicSite: S (17.64, 7.862, 7.824) [0.8684, 0.387, 0.3852]\n", + " PeriodicSite: S (17.3, 17.52, 7.764) [0.8515, 0.8625, 0.3823]\n", + " PeriodicSite: P (5.055, 20.18, 0.1157) [0.2489, 0.9934, 0.005701]\n", + " PeriodicSite: P (5.24, 20.17, 10.29) [0.258, 0.9928, 0.5064]\n", + " PeriodicSite: P (4.993, 10.09, 20.03) [0.2458, 0.4965, 0.986]\n", + " PeriodicSite: P (5.32, 10.23, 10.25) [0.2619, 0.5039, 0.5044]\n", + " PeriodicSite: P (14.91, 0.09981, 20.12) [0.7339, 0.004909, 0.9905]\n", + " PeriodicSite: P (15.15, 20.25, 10.45) [0.7458, 0.997, 0.5147]\n", + " PeriodicSite: P (15.6, 10.1, 0.1952) [0.7678, 0.4974, 0.009616]\n", + " PeriodicSite: P (15.26, 9.924, 10.18) [0.751, 0.4886, 0.5011]\n", + " PeriodicSite: P (5.119, 5.166, 4.888) [0.252, 0.2543, 0.2406]\n", + " PeriodicSite: P (5.332, 5.192, 14.86) [0.2625, 0.2556, 0.7317]\n", + " PeriodicSite: P (5.067, 15.25, 5.197) [0.2495, 0.7507, 0.2559]\n", + " PeriodicSite: P (5.311, 15.26, 15.41) [0.2615, 0.7515, 0.7586]\n", + " PeriodicSite: P (15.26, 5.133, 5.028) [0.7515, 0.2527, 0.2475]\n", + " PeriodicSite: P (15.08, 5.387, 15.37) [0.7425, 0.2652, 0.7568]\n", + " PeriodicSite: P (15.03, 15.27, 4.998) [0.7399, 0.7516, 0.2461]\n", + " PeriodicSite: P (15.49, 15.52, 15.37) [0.7626, 0.764, 0.7568]\n", + " PeriodicSite: P (20.12, 19.96, 5.159) [0.9903, 0.9827, 0.254]\n", + " PeriodicSite: P (20.24, 0.08819, 15.12) [0.9963, 0.004334, 0.7442]\n", + " PeriodicSite: P (0.187, 10.22, 5.338) [0.009201, 0.503, 0.2628]\n", + " PeriodicSite: P (20.15, 10.12, 15.36) [0.9923, 0.4982, 0.7562]\n", + " PeriodicSite: P (10.19, 0.08759, 5.186) [0.5014, 0.004308, 0.2553]\n", + " PeriodicSite: P (10.12, 20.16, 15.27) [0.4984, 0.9923, 0.7518]\n", + " PeriodicSite: P (10.32, 10.09, 4.972) [0.5079, 0.4966, 0.2448]\n", + " PeriodicSite: P (9.997, 10.38, 15.34) [0.4922, 0.5112, 0.7551]\n", + " PeriodicSite: P (20.2, 4.82, 0.1685) [0.9946, 0.2373, 0.008301]\n", + " PeriodicSite: P (20.28, 5.079, 10.2) [0.9986, 0.25, 0.502]\n", + " PeriodicSite: P (20.31, 15.35, 20.18) [0.9999, 0.7559, 0.9934]\n", + " PeriodicSite: P (20.07, 14.99, 10.39) [0.9882, 0.738, 0.5116]\n", + " PeriodicSite: P (10.18, 5.299, 20.17) [0.5013, 0.2609, 0.9932]\n", + " PeriodicSite: P (10.01, 5.061, 10.44) [0.493, 0.2492, 0.5141]\n", + " PeriodicSite: P (10.1, 15.24, 20.25) [0.497, 0.7504, 0.9969]\n", + " PeriodicSite: P (10.39, 15.36, 10.24) [0.5116, 0.7562, 0.5042],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.751, 3.298, 5.554) [0.08618, 0.1623, 0.2734]\n", + " PeriodicSite: Li (0.5975, 2.473, 16.74) [0.02942, 0.1218, 0.8242]\n", + " PeriodicSite: Li (2.918, 13.04, 10.33) [0.1437, 0.6419, 0.5084]\n", + " PeriodicSite: Li (1.621, 14.56, 16.8) [0.0798, 0.7168, 0.827]\n", + " PeriodicSite: Li (14.55, 1.287, 7.41) [0.7163, 0.06336, 0.3648]\n", + " PeriodicSite: Li (11.92, 4.793, 16.96) [0.5868, 0.236, 0.8351]\n", + " PeriodicSite: Li (16.21, 12.23, 3.61) [0.7983, 0.6023, 0.1777]\n", + " PeriodicSite: Li (16.08, 8.255, 15.64) [0.7916, 0.4064, 0.77]\n", + " PeriodicSite: Li (2.949, 4.651, 8.743) [0.1452, 0.229, 0.4304]\n", + " PeriodicSite: Li (3.795, 0.4551, 17.33) [0.1868, 0.0224, 0.8531]\n", + " PeriodicSite: Li (4.86, 8.679, 6.792) [0.2393, 0.4273, 0.3344]\n", + " PeriodicSite: Li (6.609, 9.942, 13.27) [0.3254, 0.4894, 0.6531]\n", + " PeriodicSite: Li (12.33, 4.665, 6.127) [0.6071, 0.2297, 0.3016]\n", + " PeriodicSite: Li (13.7, 6.195, 18.95) [0.6746, 0.305, 0.9331]\n", + " PeriodicSite: Li (10.89, 8.708, 12.04) [0.5363, 0.4287, 0.5928]\n", + " PeriodicSite: Li (10.36, 18.62, 18.6) [0.5099, 0.9168, 0.9156]\n", + " PeriodicSite: Li (3.255, 20.16, 6.653) [0.1602, 0.9926, 0.3275]\n", + " PeriodicSite: Li (3.169, 2.187, 15.36) [0.156, 0.1077, 0.7561]\n", + " PeriodicSite: Li (4.861, 12.0, 6.214) [0.2393, 0.5908, 0.3059]\n", + " PeriodicSite: Li (6.584, 11.83, 15.69) [0.3241, 0.5823, 0.7726]\n", + " PeriodicSite: Li (12.37, 0.9683, 9.814) [0.6088, 0.04766, 0.4832]\n", + " PeriodicSite: Li (10.58, 2.007, 18.97) [0.521, 0.09882, 0.934]\n", + " PeriodicSite: Li (13.51, 13.41, 10.31) [0.6651, 0.6603, 0.5076]\n", + " PeriodicSite: Li (10.73, 12.88, 16.38) [0.5283, 0.6341, 0.8065]\n", + " PeriodicSite: Li (20.05, 2.596, 7.541) [0.9869, 0.1278, 0.3713]\n", + " PeriodicSite: Li (1.297, 2.049, 19.29) [0.06385, 0.1009, 0.9499]\n", + " PeriodicSite: Li (0.2247, 12.62, 8.164) [0.01106, 0.6211, 0.4019]\n", + " PeriodicSite: Li (3.803, 13.3, 19.57) [0.1872, 0.6548, 0.9634]\n", + " PeriodicSite: Li (13.21, 1.997, 5.447) [0.6503, 0.09829, 0.2682]\n", + " PeriodicSite: Li (13.55, 0.5139, 17.34) [0.667, 0.0253, 0.8534]\n", + " PeriodicSite: Li (10.97, 10.91, 8.052) [0.5403, 0.5369, 0.3964]\n", + " PeriodicSite: Li (13.76, 15.2, 18.34) [0.6773, 0.7481, 0.9029]\n", + " PeriodicSite: Li (5.488, 2.046, 6.575) [0.2702, 0.1007, 0.3237]\n", + " PeriodicSite: Li (2.513, 19.25, 0.43) [0.1237, 0.9479, 0.02117]\n", + " PeriodicSite: Li (4.981, 13.11, 8.464) [0.2452, 0.6453, 0.4167]\n", + " PeriodicSite: Li (0.9154, 17.48, 14.98) [0.04506, 0.8603, 0.7374]\n", + " PeriodicSite: Li (14.85, 3.625, 8.193) [0.7311, 0.1785, 0.4034]\n", + " PeriodicSite: Li (13.84, 3.181, 19.69) [0.6816, 0.1566, 0.9692]\n", + " PeriodicSite: Li (17.21, 15.31, 8.359) [0.8471, 0.7539, 0.4115]\n", + " PeriodicSite: Li (14.36, 13.54, 1.444) [0.707, 0.6668, 0.07109]\n", + " PeriodicSite: Li (5.286, 2.09, 3.069) [0.2603, 0.1029, 0.1511]\n", + " PeriodicSite: Li (4.164, 2.888, 19.42) [0.205, 0.1422, 0.9559]\n", + " PeriodicSite: Li (1.996, 13.57, 5.444) [0.09828, 0.6679, 0.268]\n", + " PeriodicSite: Li (19.55, 11.06, 2.267) [0.9625, 0.5447, 0.1116]\n", + " PeriodicSite: Li (10.4, 1.317, 7.686) [0.5121, 0.06482, 0.3784]\n", + " PeriodicSite: Li (16.97, 0.2326, 16.84) [0.8354, 0.01144, 0.8292]\n", + " PeriodicSite: Li (14.98, 11.97, 7.323) [0.7375, 0.5893, 0.3605]\n", + " PeriodicSite: Li (14.85, 10.29, 17.17) [0.7313, 0.5063, 0.8453]\n", + " PeriodicSite: Li (3.442, 10.6, 17.08) [0.1695, 0.5219, 0.8407]\n", + " PeriodicSite: Li (2.489, 10.63, 8.233) [0.1225, 0.5236, 0.4053]\n", + " PeriodicSite: Li (3.734, 16.05, 18.73) [0.1838, 0.7904, 0.9222]\n", + " PeriodicSite: Li (2.022, 1.844, 10.11) [0.09954, 0.09076, 0.4979]\n", + " PeriodicSite: Li (13.5, 5.798, 1.361) [0.6648, 0.2855, 0.06702]\n", + " PeriodicSite: Li (12.98, 11.38, 15.2) [0.6388, 0.5603, 0.7481]\n", + " PeriodicSite: Li (11.57, 14.96, 6.998) [0.5695, 0.7363, 0.3445]\n", + " PeriodicSite: Li (15.13, 18.42, 14.0) [0.7451, 0.9069, 0.689]\n", + " PeriodicSite: Li (3.593, 6.866, 20.31) [0.1769, 0.338, 0.9997]\n", + " PeriodicSite: Li (2.599, 5.428, 11.69) [0.128, 0.2672, 0.5753]\n", + " PeriodicSite: Li (6.161, 17.27, 0.3408) [0.3033, 0.85, 0.01678]\n", + " PeriodicSite: Li (4.296, 18.06, 15.19) [0.2115, 0.8892, 0.7478]\n", + " PeriodicSite: Li (16.56, 6.79, 0.0895) [0.815, 0.3343, 0.004411]\n", + " PeriodicSite: Li (10.87, 6.05, 12.73) [0.535, 0.2978, 0.6265]\n", + " PeriodicSite: Li (13.15, 19.24, 4.723) [0.6476, 0.9474, 0.2325]\n", + " PeriodicSite: Li (10.74, 17.37, 14.28) [0.5285, 0.8551, 0.7028]\n", + " PeriodicSite: Li (0.3891, 7.957, 1.026) [0.01915, 0.3918, 0.05049]\n", + " PeriodicSite: Li (4.774, 7.261, 10.33) [0.2351, 0.3574, 0.5085]\n", + " PeriodicSite: Li (3.027, 16.16, 1.996) [0.149, 0.7955, 0.09827]\n", + " PeriodicSite: Li (2.712, 16.41, 10.6) [0.1335, 0.8079, 0.5219]\n", + " PeriodicSite: Li (12.41, 10.1, 1.32) [0.611, 0.4971, 0.06497]\n", + " PeriodicSite: Li (12.08, 7.408, 15.01) [0.5945, 0.3647, 0.7392]\n", + " PeriodicSite: Li (12.36, 15.46, 3.583) [0.6086, 0.761, 0.1764]\n", + " PeriodicSite: Li (13.29, 16.56, 11.05) [0.6545, 0.8152, 0.5441]\n", + " PeriodicSite: Li (1.621, 7.289, 4.961) [0.07982, 0.3589, 0.2442]\n", + " PeriodicSite: Li (17.19, 5.262, 9.89) [0.8462, 0.2591, 0.4869]\n", + " PeriodicSite: Li (1.812, 16.97, 4.664) [0.08921, 0.8354, 0.2296]\n", + " PeriodicSite: Li (0.2948, 18.47, 11.92) [0.01451, 0.9093, 0.587]\n", + " PeriodicSite: Li (10.64, 6.715, 3.099) [0.5239, 0.3306, 0.1526]\n", + " PeriodicSite: Li (14.14, 9.337, 12.99) [0.6964, 0.4597, 0.6395]\n", + " PeriodicSite: Li (12.78, 16.67, 0.6467) [0.6294, 0.8206, 0.03184]\n", + " PeriodicSite: Li (8.151, 15.84, 15.95) [0.4013, 0.7798, 0.7853]\n", + " PeriodicSite: Li (5.255, 8.219, 3.147) [0.2587, 0.4047, 0.1549]\n", + " PeriodicSite: Li (1.933, 9.574, 10.91) [0.09516, 0.4713, 0.537]\n", + " PeriodicSite: Li (0.09548, 17.92, 2.443) [0.004693, 0.8823, 0.1203]\n", + " PeriodicSite: Li (2.957, 19.78, 13.37) [0.1456, 0.974, 0.6581]\n", + " PeriodicSite: Li (15.66, 9.53, 3.022) [0.7709, 0.4692, 0.1488]\n", + " PeriodicSite: Li (13.14, 6.899, 10.56) [0.6467, 0.3396, 0.5198]\n", + " PeriodicSite: Li (11.89, 19.98, 1.385) [0.5852, 0.9838, 0.0682]\n", + " PeriodicSite: Li (14.21, 16.02, 8.557) [0.6995, 0.7885, 0.4213]\n", + " PeriodicSite: Li (4.702, 5.244, 2.365) [0.2315, 0.2582, 0.1164]\n", + " PeriodicSite: Li (4.214, 8.179, 13.98) [0.2075, 0.4026, 0.6884]\n", + " PeriodicSite: Li (4.757, 18.3, 4.067) [0.2342, 0.9009, 0.2002]\n", + " PeriodicSite: Li (2.353, 15.0, 13.64) [0.1158, 0.7383, 0.6716]\n", + " PeriodicSite: Li (13.03, 11.71, 5.327) [0.6413, 0.5767, 0.2623]\n", + " PeriodicSite: Li (14.09, 5.47, 12.42) [0.6938, 0.2693, 0.6113]\n", + " PeriodicSite: Li (14.97, 17.49, 2.053) [0.7372, 0.8609, 0.1011]\n", + " PeriodicSite: Li (14.47, 2.247, 15.27) [0.7126, 0.1106, 0.7517]\n", + " PeriodicSite: Li (9.797, 2.908, 3.781) [0.4823, 0.1432, 0.1861]\n", + " PeriodicSite: Li (9.266, 2.95, 14.67) [0.4562, 0.1452, 0.7221]\n", + " PeriodicSite: Li (6.571, 10.58, 2.597) [0.3235, 0.5206, 0.1278]\n", + " PeriodicSite: Li (3.649, 11.17, 13.93) [0.1796, 0.5498, 0.686]\n", + " PeriodicSite: Li (17.01, 2.114, 5.559) [0.8375, 0.1041, 0.2737]\n", + " PeriodicSite: Li (12.64, 4.174, 9.541) [0.6224, 0.2055, 0.4697]\n", + " PeriodicSite: Li (18.28, 12.49, 0.4603) [0.8997, 0.615, 0.02267]\n", + " PeriodicSite: Li (16.94, 10.17, 13.24) [0.8342, 0.5006, 0.652]\n", + " PeriodicSite: Li (6.9, 19.43, 5.529) [0.3397, 0.9567, 0.2722]\n", + " PeriodicSite: Li (6.716, 1.747, 15.26) [0.3306, 0.08602, 0.7515]\n", + " PeriodicSite: Li (8.775, 11.68, 19.57) [0.432, 0.575, 0.9635]\n", + " PeriodicSite: Li (9.595, 13.35, 12.99) [0.4724, 0.6573, 0.6397]\n", + " PeriodicSite: Li (15.66, 0.4704, 3.153) [0.7709, 0.02315, 0.1552]\n", + " PeriodicSite: Li (18.6, 1.611, 10.91) [0.9159, 0.07929, 0.5372]\n", + " PeriodicSite: Li (18.32, 14.41, 4.93) [0.9021, 0.7096, 0.2427]\n", + " PeriodicSite: Li (16.81, 14.67, 12.4) [0.8276, 0.7221, 0.6106]\n", + " PeriodicSite: Li (8.842, 5.019, 6.889) [0.4353, 0.2471, 0.3392]\n", + " PeriodicSite: Li (8.66, 0.3554, 12.78) [0.4263, 0.01749, 0.6293]\n", + " PeriodicSite: Li (9.756, 13.33, 3.354) [0.4803, 0.6564, 0.1651]\n", + " PeriodicSite: Li (5.614, 13.61, 11.94) [0.2764, 0.6701, 0.5876]\n", + " PeriodicSite: Li (19.85, 2.007, 2.262) [0.9771, 0.0988, 0.1114]\n", + " PeriodicSite: Li (18.45, 4.896, 13.2) [0.9082, 0.241, 0.6498]\n", + " PeriodicSite: Li (17.3, 15.25, 1.745) [0.8515, 0.7506, 0.08592]\n", + " PeriodicSite: Li (15.27, 12.37, 13.17) [0.7516, 0.609, 0.6484]\n", + " PeriodicSite: Li (3.055, 0.1287, 3.321) [0.1504, 0.006337, 0.1635]\n", + " PeriodicSite: Li (5.596, 0.6229, 13.07) [0.2755, 0.03067, 0.6435]\n", + " PeriodicSite: Li (5.562, 13.09, 2.091) [0.2738, 0.6445, 0.1029]\n", + " PeriodicSite: Li (8.037, 6.986, 15.52) [0.3957, 0.3439, 0.7639]\n", + " PeriodicSite: Li (18.14, 4.685, 3.659) [0.8931, 0.2306, 0.1801]\n", + " PeriodicSite: Li (17.16, 0.8153, 13.67) [0.8449, 0.04013, 0.6729]\n", + " PeriodicSite: Li (16.67, 14.72, 18.75) [0.8207, 0.7248, 0.9232]\n", + " PeriodicSite: Li (19.92, 12.22, 11.59) [0.9806, 0.6015, 0.5708]\n", + " PeriodicSite: Li (7.002, 3.397, 0.3327) [0.3447, 0.1672, 0.01638]\n", + " PeriodicSite: Li (5.34, 2.824, 11.49) [0.2629, 0.139, 0.5654]\n", + " PeriodicSite: Li (9.275, 10.14, 1.753) [0.4566, 0.4994, 0.08629]\n", + " PeriodicSite: Li (8.353, 11.82, 9.909) [0.4112, 0.5819, 0.4878]\n", + " PeriodicSite: Li (15.15, 3.286, 2.002) [0.7459, 0.1617, 0.09858]\n", + " PeriodicSite: Li (15.63, 2.669, 11.2) [0.7695, 0.1314, 0.5514]\n", + " PeriodicSite: Li (0.7642, 10.94, 18.16) [0.03762, 0.5387, 0.8941]\n", + " PeriodicSite: Li (20.0, 13.23, 13.97) [0.9847, 0.6514, 0.6876]\n", + " PeriodicSite: Li (8.195, 0.6836, 0.8947) [0.4034, 0.03365, 0.04405]\n", + " PeriodicSite: Li (7.969, 2.013, 10.39) [0.3923, 0.0991, 0.5115]\n", + " PeriodicSite: Li (7.256, 12.18, 4.78) [0.3572, 0.5998, 0.2353]\n", + " PeriodicSite: Li (4.863, 17.14, 12.27) [0.2394, 0.8436, 0.6042]\n", + " PeriodicSite: Li (17.43, 3.714, 0.6407) [0.8581, 0.1828, 0.03155]\n", + " PeriodicSite: Li (0.2447, 7.194, 13.27) [0.01204, 0.3542, 0.6535]\n", + " PeriodicSite: Li (3.089, 15.16, 8.245) [0.1521, 0.7463, 0.4059]\n", + " PeriodicSite: Li (17.02, 13.09, 10.59) [0.8381, 0.6442, 0.5213]\n", + " PeriodicSite: Li (13.75, 8.804, 5.238) [0.6768, 0.4334, 0.2579]\n", + " PeriodicSite: Li (5.145, 7.961, 16.96) [0.2533, 0.392, 0.8348]\n", + " PeriodicSite: Li (7.063, 16.34, 9.844) [0.3477, 0.8045, 0.4846]\n", + " PeriodicSite: Li (6.8, 15.75, 18.48) [0.3348, 0.7752, 0.9099]\n", + " PeriodicSite: Li (16.09, 9.521, 7.268) [0.7922, 0.4687, 0.3578]\n", + " PeriodicSite: Li (2.786, 4.947, 17.84) [0.1372, 0.2435, 0.8782]\n", + " PeriodicSite: Li (17.11, 18.95, 5.446) [0.8426, 0.933, 0.2681]\n", + " PeriodicSite: Li (19.47, 18.22, 19.05) [0.9584, 0.8969, 0.9379]\n", + " PeriodicSite: Li (7.472, 9.05, 5.733) [0.3678, 0.4455, 0.2822]\n", + " PeriodicSite: Li (9.226, 5.465, 17.27) [0.4542, 0.269, 0.8502]\n", + " PeriodicSite: Li (8.347, 19.69, 8.313) [0.4109, 0.9695, 0.4093]\n", + " PeriodicSite: Li (7.012, 18.54, 15.53) [0.3452, 0.9126, 0.7648]\n", + " PeriodicSite: Li (17.93, 8.013, 9.952) [0.8825, 0.3945, 0.4899]\n", + " PeriodicSite: Li (17.72, 5.862, 16.14) [0.8725, 0.2886, 0.7947]\n", + " PeriodicSite: Li (17.88, 19.55, 8.547) [0.88, 0.9625, 0.4208]\n", + " PeriodicSite: Li (18.33, 15.67, 16.47) [0.9023, 0.7712, 0.8108]\n", + " PeriodicSite: Li (6.391, 5.313, 8.588) [0.3146, 0.2616, 0.4228]\n", + " PeriodicSite: Li (5.944, 5.098, 17.96) [0.2927, 0.251, 0.8843]\n", + " PeriodicSite: Li (9.72, 18.08, 9.548) [0.4785, 0.8899, 0.4701]\n", + " PeriodicSite: Li (12.52, 14.63, 15.52) [0.6164, 0.7201, 0.7643]\n", + " PeriodicSite: Li (19.77, 8.932, 7.706) [0.9733, 0.4397, 0.3794]\n", + " PeriodicSite: Li (0.4411, 6.951, 16.82) [0.02172, 0.3422, 0.8279]\n", + " PeriodicSite: Li (16.92, 17.44, 10.39) [0.8329, 0.8588, 0.5118]\n", + " PeriodicSite: Li (16.99, 17.28, 0.07375) [0.8362, 0.8505, 0.003637]\n", + " PeriodicSite: Li (8.869, 7.925, 9.536) [0.4366, 0.3901, 0.4695]\n", + " PeriodicSite: Li (6.575, 6.795, 19.82) [0.3237, 0.3345, 0.9758]\n", + " PeriodicSite: Li (5.464, 17.34, 8.082) [0.269, 0.8537, 0.3979]\n", + " PeriodicSite: Li (7.284, 14.33, 0.6121) [0.3586, 0.7055, 0.03014]\n", + " PeriodicSite: Li (15.52, 6.903, 8.13) [0.7639, 0.3398, 0.4003]\n", + " PeriodicSite: Li (18.5, 9.199, 19.2) [0.9107, 0.4529, 0.9454]\n", + " PeriodicSite: Li (15.2, 18.21, 7.251) [0.7481, 0.8964, 0.357]\n", + " PeriodicSite: Li (15.13, 18.06, 17.54) [0.7448, 0.8891, 0.8634]\n", + " PeriodicSite: Li (6.933, 4.871, 11.99) [0.3413, 0.2398, 0.5903]\n", + " PeriodicSite: Li (7.21, 9.7, 17.34) [0.3549, 0.4775, 0.8539]\n", + " PeriodicSite: Li (9.357, 17.44, 5.899) [0.4607, 0.8586, 0.2904]\n", + " PeriodicSite: Li (10.39, 17.34, 3.068) [0.5114, 0.8535, 0.151]\n", + " PeriodicSite: Li (17.69, 8.044, 5.394) [0.871, 0.396, 0.2656]\n", + " PeriodicSite: Li (16.9, 4.632, 18.5) [0.832, 0.2281, 0.911]\n", + " PeriodicSite: Li (19.7, 17.52, 7.816) [0.97, 0.8627, 0.3848]\n", + " PeriodicSite: Li (17.76, 0.9257, 0.4905) [0.8741, 0.04557, 0.02415]\n", + " PeriodicSite: Li (3.238, 10.08, 3.459) [0.1594, 0.4963, 0.1703]\n", + " PeriodicSite: Li (9.175, 7.73, 19.04) [0.4517, 0.3805, 0.9375]\n", + " PeriodicSite: Li (8.042, 15.17, 7.129) [0.3959, 0.7469, 0.351]\n", + " PeriodicSite: Li (6.998, 20.12, 17.74) [0.3445, 0.9904, 0.8732]\n", + " PeriodicSite: Li (18.64, 5.22, 6.94) [0.9176, 0.257, 0.3416]\n", + " PeriodicSite: Li (17.33, 12.12, 15.18) [0.853, 0.5966, 0.7472]\n", + " PeriodicSite: Li (0.08049, 13.53, 2.881) [0.003957, 0.6661, 0.1418]\n", + " PeriodicSite: Li (12.61, 19.66, 14.17) [0.6208, 0.9676, 0.6978]\n", + " PeriodicSite: Cl (7.389, 12.24, 12.46) [0.3638, 0.6028, 0.6133]\n", + " PeriodicSite: Cl (2.646, 12.63, 17.85) [0.1303, 0.6216, 0.8786]\n", + " PeriodicSite: Cl (12.88, 17.77, 13.25) [0.6343, 0.8749, 0.6526]\n", + " PeriodicSite: Cl (17.51, 7.334, 17.84) [0.8619, 0.361, 0.8783]\n", + " PeriodicSite: Cl (7.338, 2.527, 2.367) [0.3613, 0.1244, 0.1165]\n", + " PeriodicSite: Cl (7.24, 7.498, 7.582) [0.3564, 0.3691, 0.3732]\n", + " PeriodicSite: Cl (12.99, 12.78, 7.985) [0.6396, 0.6293, 0.3931]\n", + " PeriodicSite: Cl (2.581, 7.736, 2.457) [0.1271, 0.3808, 0.121]\n", + " PeriodicSite: Cl (2.504, 7.585, 12.46) [0.1233, 0.3734, 0.6132]\n", + " PeriodicSite: Cl (12.86, 12.73, 16.95) [0.6331, 0.6265, 0.8344]\n", + " PeriodicSite: Cl (17.35, 18.14, 18.09) [0.8539, 0.8932, 0.8905]\n", + " PeriodicSite: Cl (2.795, 2.572, 7.707) [0.1376, 0.1266, 0.3794]\n", + " PeriodicSite: Cl (12.52, 2.487, 17.75) [0.6163, 0.1224, 0.8738]\n", + " PeriodicSite: Cl (12.42, 7.703, 2.19) [0.6114, 0.3792, 0.1078]\n", + " PeriodicSite: Cl (17.3, 2.931, 12.62) [0.8518, 0.1443, 0.6213]\n", + " PeriodicSite: Cl (7.604, 17.64, 17.69) [0.3743, 0.8684, 0.8709]\n", + " PeriodicSite: Cl (20.01, 0.08152, 20.29) [0.9853, 0.004006, 0.9991]\n", + " PeriodicSite: Cl (20.17, 20.27, 10.46) [0.9929, 0.998, 0.5148]\n", + " PeriodicSite: Cl (0.006129, 10.24, 0.1162) [0.000297, 0.5039, 0.005724]\n", + " PeriodicSite: Cl (20.2, 10.43, 9.936) [0.9947, 0.5136, 0.4891]\n", + " PeriodicSite: Cl (9.912, 0.1665, 20.08) [0.488, 0.008195, 0.9883]\n", + " PeriodicSite: Cl (9.816, 0.1727, 10.23) [0.4832, 0.008498, 0.5038]\n", + " PeriodicSite: Cl (10.1, 10.07, 19.94) [0.4974, 0.4958, 0.9818]\n", + " PeriodicSite: Cl (10.14, 9.895, 9.838) [0.4992, 0.4871, 0.4843]\n", + " PeriodicSite: Cl (20.16, 4.705, 5.157) [0.9925, 0.2316, 0.2539]\n", + " PeriodicSite: Cl (19.83, 5.76, 14.85) [0.9763, 0.2836, 0.7312]\n", + " PeriodicSite: Cl (0.1166, 15.3, 4.766) [0.005737, 0.7533, 0.2347]\n", + " PeriodicSite: Cl (0.2317, 15.27, 15.08) [0.0114, 0.752, 0.7424]\n", + " PeriodicSite: Cl (10.42, 4.787, 4.844) [0.5129, 0.2357, 0.2385]\n", + " PeriodicSite: Cl (10.26, 5.108, 15.21) [0.5053, 0.2515, 0.749]\n", + " PeriodicSite: Cl (10.14, 15.03, 5.197) [0.4994, 0.74, 0.2558]\n", + " PeriodicSite: Cl (10.09, 15.26, 14.95) [0.4968, 0.7514, 0.736]\n", + " PeriodicSite: S (4.84, 0.3153, 4.959) [0.2383, 0.01552, 0.2441]\n", + " PeriodicSite: S (5.09, 0.1144, 15.38) [0.2506, 0.005632, 0.7574]\n", + " PeriodicSite: S (5.47, 10.34, 4.612) [0.2693, 0.5088, 0.2271]\n", + " PeriodicSite: S (5.11, 9.986, 15.25) [0.2516, 0.4916, 0.7508]\n", + " PeriodicSite: S (15.11, 0.05681, 5.369) [0.7441, 0.00279, 0.2643]\n", + " PeriodicSite: S (15.19, 0.0392, 15.4) [0.7479, 0.001924, 0.7581]\n", + " PeriodicSite: S (15.5, 10.63, 5.123) [0.7633, 0.5235, 0.2522]\n", + " PeriodicSite: S (15.25, 10.58, 15.0) [0.7509, 0.5208, 0.7385]\n", + " PeriodicSite: S (4.871, 4.897, 20.25) [0.2398, 0.2411, 0.9968]\n", + " PeriodicSite: S (4.746, 4.968, 10.22) [0.2337, 0.2446, 0.5029]\n", + " PeriodicSite: S (5.116, 15.29, 20.31) [0.2519, 0.7529, 0.9997]\n", + " PeriodicSite: S (4.764, 15.14, 10.08) [0.2345, 0.7452, 0.4963]\n", + " PeriodicSite: S (15.17, 4.88, 0.0037) [0.747, 0.2402, 0.0001867]\n", + " PeriodicSite: S (14.95, 4.839, 10.18) [0.7358, 0.2382, 0.501]\n", + " PeriodicSite: S (15.13, 15.72, 0.1025) [0.745, 0.7739, 0.005052]\n", + " PeriodicSite: S (15.35, 14.95, 10.19) [0.7556, 0.7358, 0.5017]\n", + " PeriodicSite: S (8.404, 3.935, 9.115) [0.4137, 0.1937, 0.4487]\n", + " PeriodicSite: S (8.894, 4.057, 18.83) [0.4379, 0.1997, 0.927]\n", + " PeriodicSite: S (9.457, 13.84, 8.826) [0.4656, 0.6814, 0.4345]\n", + " PeriodicSite: S (8.943, 14.19, 19.1) [0.4403, 0.6987, 0.9404]\n", + " PeriodicSite: S (18.86, 3.784, 9.175) [0.9284, 0.1863, 0.4517]\n", + " PeriodicSite: S (19.13, 3.734, 18.78) [0.9418, 0.1838, 0.9247]\n", + " PeriodicSite: S (18.9, 13.79, 9.429) [0.9307, 0.6791, 0.4642]\n", + " PeriodicSite: S (19.17, 13.94, 19.05) [0.9439, 0.6864, 0.9381]\n", + " PeriodicSite: S (3.84, 1.299, 0.9795) [0.189, 0.06396, 0.04822]\n", + " PeriodicSite: S (3.889, 1.007, 11.54) [0.1914, 0.04956, 0.5681]\n", + " PeriodicSite: S (4.001, 11.39, 0.9638) [0.1969, 0.5605, 0.04745]\n", + " PeriodicSite: S (4.076, 11.45, 11.42) [0.2007, 0.5638, 0.5624]\n", + " PeriodicSite: S (13.77, 1.442, 1.339) [0.6777, 0.07097, 0.06593]\n", + " PeriodicSite: S (13.97, 1.023, 11.69) [0.6879, 0.05038, 0.5753]\n", + " PeriodicSite: S (14.6, 11.22, 1.559) [0.7187, 0.5526, 0.07676]\n", + " PeriodicSite: S (13.93, 11.25, 11.33) [0.686, 0.5537, 0.5578]\n", + " PeriodicSite: S (6.161, 1.084, 8.969) [0.3033, 0.05335, 0.4416]\n", + " PeriodicSite: S (6.296, 1.25, 19.33) [0.31, 0.06151, 0.9515]\n", + " PeriodicSite: S (6.416, 11.17, 8.818) [0.3159, 0.55, 0.4341]\n", + " PeriodicSite: S (6.24, 11.56, 19.0) [0.3072, 0.5693, 0.9354]\n", + " PeriodicSite: S (16.2, 1.008, 8.959) [0.7976, 0.04959, 0.4411]\n", + " PeriodicSite: S (16.02, 1.202, 19.04) [0.7887, 0.05919, 0.9376]\n", + " PeriodicSite: S (16.47, 11.39, 9.146) [0.811, 0.5607, 0.4503]\n", + " PeriodicSite: S (16.54, 11.32, 18.95) [0.8143, 0.5572, 0.9328]\n", + " PeriodicSite: S (1.04, 3.443, 1.048) [0.05121, 0.1695, 0.05161]\n", + " PeriodicSite: S (0.7916, 3.685, 11.52) [0.03897, 0.1814, 0.5671]\n", + " PeriodicSite: S (1.303, 14.02, 0.9639) [0.06414, 0.6902, 0.04745]\n", + " PeriodicSite: S (1.114, 14.03, 11.59) [0.05482, 0.6905, 0.5706]\n", + " PeriodicSite: S (11.25, 4.125, 0.8935) [0.554, 0.2031, 0.04399]\n", + " PeriodicSite: S (11.09, 3.945, 11.37) [0.5461, 0.1942, 0.5599]\n", + " PeriodicSite: S (11.48, 14.37, 1.259) [0.5652, 0.7074, 0.062]\n", + " PeriodicSite: S (11.53, 14.12, 11.64) [0.5678, 0.695, 0.5731]\n", + " PeriodicSite: S (2.774, 2.587, 17.71) [0.1366, 0.1274, 0.8717]\n", + " PeriodicSite: S (2.618, 12.9, 7.877) [0.1289, 0.635, 0.3878]\n", + " PeriodicSite: S (12.69, 2.766, 7.685) [0.6245, 0.1362, 0.3783]\n", + " PeriodicSite: S (9.285, 9.041, 3.854) [0.4571, 0.4451, 0.1897]\n", + " PeriodicSite: S (9.051, 8.7, 14.16) [0.4456, 0.4283, 0.6972]\n", + " PeriodicSite: S (8.903, 19.02, 3.968) [0.4383, 0.9364, 0.1954]\n", + " PeriodicSite: S (8.803, 18.97, 14.55) [0.4334, 0.9337, 0.7165]\n", + " PeriodicSite: S (19.46, 8.95, 4.068) [0.958, 0.4406, 0.2003]\n", + " PeriodicSite: S (18.96, 8.981, 14.25) [0.9336, 0.4421, 0.7014]\n", + " PeriodicSite: S (18.95, 19.25, 3.939) [0.9329, 0.9475, 0.1939]\n", + " PeriodicSite: S (19.35, 19.02, 13.95) [0.9528, 0.9364, 0.6869]\n", + " PeriodicSite: S (3.739, 6.75, 6.305) [0.1841, 0.3323, 0.3104]\n", + " PeriodicSite: S (3.894, 6.116, 16.04) [0.1917, 0.3011, 0.7898]\n", + " PeriodicSite: S (3.847, 16.6, 6.278) [0.1894, 0.8171, 0.3091]\n", + " PeriodicSite: S (3.79, 16.06, 16.28) [0.1866, 0.7905, 0.8016]\n", + " PeriodicSite: S (13.94, 6.574, 6.279) [0.6863, 0.3236, 0.3091]\n", + " PeriodicSite: S (14.0, 6.635, 16.51) [0.6893, 0.3266, 0.813]\n", + " PeriodicSite: S (13.77, 16.43, 6.153) [0.678, 0.8088, 0.3029]\n", + " PeriodicSite: S (13.98, 16.29, 16.23) [0.6882, 0.802, 0.7988]\n", + " PeriodicSite: S (6.237, 6.362, 3.864) [0.3071, 0.3132, 0.1902]\n", + " PeriodicSite: S (6.161, 6.272, 13.84) [0.3033, 0.3088, 0.6816]\n", + " PeriodicSite: S (6.519, 16.53, 4.238) [0.3209, 0.8137, 0.2086]\n", + " PeriodicSite: S (6.094, 16.78, 14.06) [0.3, 0.8259, 0.6923]\n", + " PeriodicSite: S (16.53, 6.439, 4.011) [0.8136, 0.317, 0.1974]\n", + " PeriodicSite: S (16.27, 6.6, 14.07) [0.8009, 0.3249, 0.6928]\n", + " PeriodicSite: S (16.37, 16.32, 3.911) [0.8057, 0.8034, 0.1925]\n", + " PeriodicSite: S (16.85, 16.4, 14.5) [0.8296, 0.8072, 0.7139]\n", + " PeriodicSite: S (1.408, 9.255, 6.407) [0.06932, 0.4556, 0.3154]\n", + " PeriodicSite: S (1.113, 9.173, 16.68) [0.0548, 0.4516, 0.8211]\n", + " PeriodicSite: S (1.111, 18.9, 6.387) [0.0547, 0.9305, 0.3144]\n", + " PeriodicSite: S (1.025, 19.27, 16.54) [0.05047, 0.9485, 0.8143]\n", + " PeriodicSite: S (11.79, 9.618, 6.047) [0.5803, 0.4735, 0.2977]\n", + " PeriodicSite: S (11.44, 9.271, 16.43) [0.5633, 0.4564, 0.8088]\n", + " PeriodicSite: S (10.95, 19.3, 6.713) [0.5391, 0.95, 0.3305]\n", + " PeriodicSite: S (11.44, 19.07, 16.55) [0.5631, 0.939, 0.8146]\n", + " PeriodicSite: S (2.299, 18.26, 2.732) [0.1132, 0.8987, 0.1345]\n", + " PeriodicSite: S (2.424, 17.59, 12.98) [0.1193, 0.8659, 0.6389]\n", + " PeriodicSite: S (12.58, 7.398, 13.01) [0.6195, 0.3642, 0.6403]\n", + " PeriodicSite: S (12.69, 17.77, 2.808) [0.6248, 0.8746, 0.1382]\n", + " PeriodicSite: S (3.741, 4.073, 4.111) [0.1841, 0.2005, 0.2024]\n", + " PeriodicSite: S (4.275, 3.723, 13.74) [0.2105, 0.1833, 0.6766]\n", + " PeriodicSite: S (3.864, 14.33, 3.787) [0.1902, 0.7057, 0.1864]\n", + " PeriodicSite: S (4.335, 13.82, 13.95) [0.2134, 0.6802, 0.6866]\n", + " PeriodicSite: S (13.96, 4.048, 4.108) [0.6872, 0.1993, 0.2022]\n", + " PeriodicSite: S (13.8, 4.091, 14.34) [0.6792, 0.2014, 0.7062]\n", + " PeriodicSite: S (14.14, 13.82, 3.979) [0.6962, 0.6805, 0.1959]\n", + " PeriodicSite: S (14.32, 14.33, 13.81) [0.7049, 0.7057, 0.68]\n", + " PeriodicSite: S (8.527, 1.268, 6.123) [0.4198, 0.06242, 0.3014]\n", + " PeriodicSite: S (8.952, 1.246, 16.5) [0.4407, 0.06132, 0.8126]\n", + " PeriodicSite: S (9.199, 11.47, 5.996) [0.4529, 0.5649, 0.2952]\n", + " PeriodicSite: S (8.67, 11.11, 16.54) [0.4268, 0.5471, 0.8141]\n", + " PeriodicSite: S (18.9, 0.6411, 6.597) [0.9307, 0.03156, 0.3248]\n", + " PeriodicSite: S (18.86, 1.467, 16.02) [0.9284, 0.07221, 0.7888]\n", + " PeriodicSite: S (19.08, 11.34, 6.402) [0.9393, 0.5583, 0.3152]\n", + " PeriodicSite: S (18.91, 11.42, 16.67) [0.9312, 0.562, 0.8209]\n", + " PeriodicSite: S (1.069, 1.22, 4.373) [0.0526, 0.06004, 0.2153]\n", + " PeriodicSite: S (1.274, 1.24, 14.1) [0.06271, 0.06104, 0.6942]\n", + " PeriodicSite: S (1.349, 11.59, 4.032) [0.06643, 0.5707, 0.1985]\n", + " PeriodicSite: S (0.9238, 11.31, 14.07) [0.04548, 0.5568, 0.6927]\n", + " PeriodicSite: S (11.28, 1.032, 4.112) [0.5556, 0.05083, 0.2025]\n", + " PeriodicSite: S (11.0, 1.156, 14.01) [0.5417, 0.05689, 0.6898]\n", + " PeriodicSite: S (11.36, 11.54, 3.291) [0.5591, 0.5681, 0.162]\n", + " PeriodicSite: S (10.68, 11.77, 14.18) [0.5258, 0.5795, 0.6983]\n", + " PeriodicSite: S (6.315, 4.256, 6.285) [0.3109, 0.2095, 0.3094]\n", + " PeriodicSite: S (6.874, 4.139, 15.79) [0.3384, 0.2038, 0.7771]\n", + " PeriodicSite: S (6.091, 14.0, 6.215) [0.2999, 0.6892, 0.306]\n", + " PeriodicSite: S (6.664, 14.34, 16.48) [0.3281, 0.7061, 0.8111]\n", + " PeriodicSite: S (16.35, 4.169, 6.384) [0.8047, 0.2052, 0.3143]\n", + " PeriodicSite: S (16.38, 4.042, 16.25) [0.8062, 0.199, 0.8]\n", + " PeriodicSite: S (16.23, 14.14, 6.412) [0.799, 0.6959, 0.3157]\n", + " PeriodicSite: S (16.21, 13.82, 16.75) [0.7978, 0.6806, 0.8246]\n", + " PeriodicSite: S (7.419, 2.321, 12.62) [0.3652, 0.1143, 0.6213]\n", + " PeriodicSite: S (7.723, 12.47, 2.304) [0.3802, 0.614, 0.1134]\n", + " PeriodicSite: S (17.46, 2.462, 2.608) [0.8595, 0.1212, 0.1284]\n", + " PeriodicSite: S (18.11, 13.05, 2.756) [0.8918, 0.6423, 0.1357]\n", + " PeriodicSite: S (17.85, 12.44, 12.89) [0.8788, 0.6127, 0.6345]\n", + " PeriodicSite: S (3.811, 9.165, 9.139) [0.1876, 0.4512, 0.4499]\n", + " PeriodicSite: S (3.959, 9.034, 19.13) [0.1949, 0.4448, 0.9416]\n", + " PeriodicSite: S (3.845, 18.9, 8.97) [0.1893, 0.9306, 0.4416]\n", + " PeriodicSite: S (4.165, 19.0, 19.08) [0.205, 0.9355, 0.9392]\n", + " PeriodicSite: S (14.44, 8.902, 8.663) [0.7107, 0.4383, 0.4265]\n", + " PeriodicSite: S (14.13, 9.041, 19.23) [0.6954, 0.4451, 0.9465]\n", + " PeriodicSite: S (13.95, 18.86, 9.429) [0.6869, 0.9287, 0.4642]\n", + " PeriodicSite: S (13.52, 19.09, 19.39) [0.6657, 0.9396, 0.9548]\n", + " PeriodicSite: S (8.849, 6.537, 0.8661) [0.4356, 0.3218, 0.04264]\n", + " PeriodicSite: S (8.75, 6.232, 11.48) [0.4308, 0.3068, 0.5654]\n", + " PeriodicSite: S (8.827, 16.73, 1.067) [0.4346, 0.8236, 0.05252]\n", + " PeriodicSite: S (9.127, 16.43, 11.16) [0.4493, 0.8087, 0.5492]\n", + " PeriodicSite: S (18.93, 5.67, 1.058) [0.9321, 0.2791, 0.05211]\n", + " PeriodicSite: S (18.93, 6.261, 11.41) [0.9318, 0.3082, 0.5619]\n", + " PeriodicSite: S (19.32, 16.61, 0.9062) [0.9514, 0.8179, 0.04462]\n", + " PeriodicSite: S (19.06, 16.35, 11.55) [0.9386, 0.8047, 0.5684]\n", + " PeriodicSite: S (1.051, 6.167, 9.109) [0.05175, 0.3036, 0.4485]\n", + " PeriodicSite: S (0.9667, 6.255, 19.29) [0.04759, 0.3079, 0.9499]\n", + " PeriodicSite: S (0.9839, 16.18, 8.896) [0.04843, 0.7964, 0.4379]\n", + " PeriodicSite: S (1.289, 16.32, 18.73) [0.06345, 0.8034, 0.9219]\n", + " PeriodicSite: S (10.93, 6.206, 8.902) [0.5383, 0.3055, 0.4383]\n", + " PeriodicSite: S (11.21, 6.276, 18.77) [0.5518, 0.309, 0.9243]\n", + " PeriodicSite: S (11.83, 16.4, 9.242) [0.5826, 0.8075, 0.455]\n", + " PeriodicSite: S (11.39, 16.53, 18.95) [0.5607, 0.8138, 0.9332]\n", + " PeriodicSite: S (6.429, 8.996, 0.9864) [0.3165, 0.4429, 0.04856]\n", + " PeriodicSite: S (6.23, 8.705, 11.2) [0.3067, 0.4286, 0.5516]\n", + " PeriodicSite: S (6.145, 19.33, 1.548) [0.3025, 0.9516, 0.07622]\n", + " PeriodicSite: S (6.155, 18.87, 11.42) [0.303, 0.929, 0.5623]\n", + " PeriodicSite: S (16.85, 9.022, 0.9779) [0.8294, 0.4442, 0.04815]\n", + " PeriodicSite: S (16.08, 8.883, 11.57) [0.7915, 0.4373, 0.5694]\n", + " PeriodicSite: S (16.18, 19.38, 1.157) [0.7967, 0.9541, 0.05698]\n", + " PeriodicSite: S (16.56, 19.34, 11.77) [0.8152, 0.9519, 0.5793]\n", + " PeriodicSite: S (7.445, 7.222, 17.76) [0.3665, 0.3555, 0.8743]\n", + " PeriodicSite: S (7.804, 17.51, 7.819) [0.3842, 0.8621, 0.385]\n", + " PeriodicSite: S (18.02, 7.205, 7.861) [0.8872, 0.3547, 0.387]\n", + " PeriodicSite: S (17.19, 17.57, 7.779) [0.8463, 0.8652, 0.383]\n", + " PeriodicSite: P (5.084, 0.0005959, 0.07076) [0.2503, 2.7e-05, 0.003485]\n", + " PeriodicSite: P (4.948, 20.09, 10.21) [0.2436, 0.989, 0.5029]\n", + " PeriodicSite: P (5.23, 10.29, 20.2) [0.2575, 0.5065, 0.9945]\n", + " PeriodicSite: P (5.165, 10.21, 10.21) [0.2543, 0.5029, 0.5026]\n", + " PeriodicSite: P (14.76, 0.1314, 20.31) [0.7266, 0.006464, 0.9999]\n", + " PeriodicSite: P (15.18, 20.13, 10.54) [0.7472, 0.991, 0.5187]\n", + " PeriodicSite: P (15.44, 10.11, 20.29) [0.7602, 0.4979, 0.9987]\n", + " PeriodicSite: P (15.23, 10.23, 10.2) [0.7496, 0.5039, 0.5022]\n", + " PeriodicSite: P (4.961, 5.411, 5.202) [0.2442, 0.2664, 0.2561]\n", + " PeriodicSite: P (5.28, 4.885, 14.94) [0.2599, 0.2405, 0.7355]\n", + " PeriodicSite: P (5.104, 15.44, 5.028) [0.2513, 0.7599, 0.2475]\n", + " PeriodicSite: P (5.29, 15.21, 15.24) [0.2605, 0.7486, 0.7501]\n", + " PeriodicSite: P (15.21, 5.42, 5.091) [0.7486, 0.2668, 0.2507]\n", + " PeriodicSite: P (15.1, 5.246, 15.29) [0.7431, 0.2582, 0.7527]\n", + " PeriodicSite: P (15.15, 15.19, 5.15) [0.7456, 0.7477, 0.2535]\n", + " PeriodicSite: P (15.45, 15.18, 15.34) [0.7606, 0.7471, 0.7552]\n", + " PeriodicSite: P (20.27, 20.16, 5.23) [0.9979, 0.9926, 0.2575]\n", + " PeriodicSite: P (20.29, 0.08042, 15.11) [0.9987, 0.003951, 0.7439]\n", + " PeriodicSite: P (0.1176, 10.35, 5.244) [0.005786, 0.5096, 0.2582]\n", + " PeriodicSite: P (20.05, 10.25, 15.43) [0.9872, 0.5046, 0.7595]\n", + " PeriodicSite: P (9.879, 20.26, 5.268) [0.4864, 0.9974, 0.2594]\n", + " PeriodicSite: P (10.05, 20.19, 15.44) [0.495, 0.9941, 0.7603]\n", + " PeriodicSite: P (10.43, 10.47, 4.77) [0.5135, 0.5154, 0.2348]\n", + " PeriodicSite: P (9.992, 10.06, 15.36) [0.4919, 0.4953, 0.7562]\n", + " PeriodicSite: P (20.25, 4.682, 20.19) [0.9967, 0.2305, 0.9938]\n", + " PeriodicSite: P (20.19, 5.002, 10.24) [0.9941, 0.2462, 0.5042]\n", + " PeriodicSite: P (0.2691, 15.18, 20.09) [0.01325, 0.7475, 0.9888]\n", + " PeriodicSite: P (20.13, 15.16, 10.37) [0.9909, 0.7462, 0.5104]\n", + " PeriodicSite: P (9.973, 5.2, 20.07) [0.491, 0.256, 0.9883]\n", + " PeriodicSite: P (9.75, 4.974, 10.2) [0.48, 0.2449, 0.502]\n", + " PeriodicSite: P (10.13, 15.43, 0.01717) [0.4987, 0.7599, 0.0008495]\n", + " PeriodicSite: P (10.35, 15.12, 10.15) [0.5096, 0.7446, 0.4997],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.822, 3.715, 5.561) [0.08968, 0.1829, 0.2738]\n", + " PeriodicSite: Li (1.052, 3.374, 15.86) [0.05181, 0.1661, 0.7809]\n", + " PeriodicSite: Li (3.038, 13.53, 9.944) [0.1495, 0.6659, 0.4896]\n", + " PeriodicSite: Li (1.648, 14.59, 17.26) [0.08112, 0.7181, 0.8499]\n", + " PeriodicSite: Li (14.35, 0.6243, 8.075) [0.7067, 0.03073, 0.3975]\n", + " PeriodicSite: Li (12.19, 4.153, 15.93) [0.6002, 0.2044, 0.7841]\n", + " PeriodicSite: Li (16.69, 12.13, 4.463) [0.8217, 0.5971, 0.2197]\n", + " PeriodicSite: Li (15.73, 7.883, 15.63) [0.7743, 0.3881, 0.7696]\n", + " PeriodicSite: Li (3.603, 4.965, 8.602) [0.1774, 0.2444, 0.4235]\n", + " PeriodicSite: Li (4.048, 0.7253, 17.73) [0.1993, 0.0357, 0.873]\n", + " PeriodicSite: Li (5.129, 8.723, 7.276) [0.2525, 0.4294, 0.3582]\n", + " PeriodicSite: Li (7.067, 9.977, 13.03) [0.3479, 0.4912, 0.6412]\n", + " PeriodicSite: Li (12.09, 4.818, 6.062) [0.595, 0.2372, 0.2984]\n", + " PeriodicSite: Li (13.79, 6.47, 19.01) [0.679, 0.3185, 0.936]\n", + " PeriodicSite: Li (11.11, 9.644, 12.29) [0.5469, 0.4748, 0.6049]\n", + " PeriodicSite: Li (9.983, 18.85, 18.29) [0.4915, 0.9281, 0.9004]\n", + " PeriodicSite: Li (3.16, 0.4613, 6.941) [0.1556, 0.02271, 0.3417]\n", + " PeriodicSite: Li (3.604, 1.996, 15.39) [0.1774, 0.09828, 0.7576]\n", + " PeriodicSite: Li (4.665, 11.83, 6.217) [0.2296, 0.5824, 0.3061]\n", + " PeriodicSite: Li (6.653, 11.84, 15.24) [0.3275, 0.5829, 0.7501]\n", + " PeriodicSite: Li (12.19, 1.342, 10.11) [0.6001, 0.06608, 0.4979]\n", + " PeriodicSite: Li (10.44, 2.001, 19.1) [0.5138, 0.0985, 0.9402]\n", + " PeriodicSite: Li (13.59, 13.33, 10.26) [0.6691, 0.6563, 0.5049]\n", + " PeriodicSite: Li (10.33, 12.11, 18.17) [0.5086, 0.5964, 0.8944]\n", + " PeriodicSite: Li (20.27, 2.699, 7.121) [0.9977, 0.1329, 0.3506]\n", + " PeriodicSite: Li (0.999, 1.894, 19.14) [0.04919, 0.09322, 0.9421]\n", + " PeriodicSite: Li (0.2249, 12.28, 7.838) [0.01107, 0.6045, 0.3859]\n", + " PeriodicSite: Li (4.284, 12.71, 19.32) [0.2109, 0.6257, 0.9511]\n", + " PeriodicSite: Li (13.51, 1.987, 5.617) [0.6653, 0.09784, 0.2765]\n", + " PeriodicSite: Li (13.46, 0.603, 17.52) [0.6625, 0.02968, 0.8627]\n", + " PeriodicSite: Li (11.07, 11.32, 7.599) [0.5451, 0.5574, 0.3741]\n", + " PeriodicSite: Li (14.32, 14.55, 17.92) [0.7048, 0.7162, 0.8821]\n", + " PeriodicSite: Li (6.274, 1.324, 6.488) [0.3089, 0.06519, 0.3194]\n", + " PeriodicSite: Li (2.239, 19.47, 0.977) [0.1102, 0.9587, 0.0481]\n", + " PeriodicSite: Li (5.053, 13.62, 8.438) [0.2488, 0.6707, 0.4154]\n", + " PeriodicSite: Li (0.3045, 17.36, 14.55) [0.01499, 0.8545, 0.7163]\n", + " PeriodicSite: Li (14.87, 3.489, 8.06) [0.7322, 0.1718, 0.3968]\n", + " PeriodicSite: Li (14.38, 2.943, 19.46) [0.7078, 0.1449, 0.9578]\n", + " PeriodicSite: Li (17.34, 15.48, 8.341) [0.8538, 0.7622, 0.4107]\n", + " PeriodicSite: Li (13.83, 13.97, 1.662) [0.6807, 0.688, 0.08185]\n", + " PeriodicSite: Li (5.498, 1.919, 3.813) [0.2707, 0.09448, 0.1877]\n", + " PeriodicSite: Li (3.925, 3.004, 19.84) [0.1932, 0.1479, 0.977]\n", + " PeriodicSite: Li (1.836, 13.58, 5.397) [0.09038, 0.6685, 0.2657]\n", + " PeriodicSite: Li (19.73, 10.82, 2.234) [0.9711, 0.5325, 0.11]\n", + " PeriodicSite: Li (10.61, 2.061, 7.64) [0.5222, 0.1015, 0.3761]\n", + " PeriodicSite: Li (17.03, 19.91, 17.04) [0.8382, 0.9801, 0.8389]\n", + " PeriodicSite: Li (14.83, 11.78, 7.023) [0.7301, 0.5797, 0.3458]\n", + " PeriodicSite: Li (14.46, 11.3, 17.67) [0.7117, 0.5561, 0.87]\n", + " PeriodicSite: Li (3.36, 10.54, 16.67) [0.1654, 0.5188, 0.8208]\n", + " PeriodicSite: Li (2.433, 10.58, 8.201) [0.1198, 0.5207, 0.4037]\n", + " PeriodicSite: Li (3.58, 16.44, 18.99) [0.1762, 0.8095, 0.935]\n", + " PeriodicSite: Li (1.417, 1.955, 9.927) [0.06977, 0.09623, 0.4887]\n", + " PeriodicSite: Li (12.9, 5.397, 2.052) [0.6348, 0.2657, 0.101]\n", + " PeriodicSite: Li (12.92, 10.77, 15.19) [0.6362, 0.5302, 0.7479]\n", + " PeriodicSite: Li (11.63, 15.21, 6.972) [0.5724, 0.7489, 0.3432]\n", + " PeriodicSite: Li (15.18, 18.3, 13.92) [0.7473, 0.901, 0.6854]\n", + " PeriodicSite: Li (3.509, 7.134, 20.27) [0.1727, 0.3512, 0.9982]\n", + " PeriodicSite: Li (3.163, 5.067, 11.97) [0.1557, 0.2494, 0.5892]\n", + " PeriodicSite: Li (6.156, 17.58, 20.06) [0.303, 0.8652, 0.9876]\n", + " PeriodicSite: Li (3.066, 18.47, 15.41) [0.1509, 0.9093, 0.7589]\n", + " PeriodicSite: Li (16.82, 6.95, 0.06943) [0.8282, 0.3421, 0.003423]\n", + " PeriodicSite: Li (10.98, 5.837, 12.3) [0.5405, 0.2873, 0.6056]\n", + " PeriodicSite: Li (13.06, 19.25, 4.731) [0.6429, 0.9479, 0.2329]\n", + " PeriodicSite: Li (11.1, 17.66, 14.15) [0.5466, 0.8695, 0.6968]\n", + " PeriodicSite: Li (0.4388, 7.73, 1.083) [0.0216, 0.3806, 0.05332]\n", + " PeriodicSite: Li (4.679, 7.152, 11.18) [0.2303, 0.3521, 0.5506]\n", + " PeriodicSite: Li (3.164, 15.93, 1.659) [0.1558, 0.7841, 0.08168]\n", + " PeriodicSite: Li (2.867, 16.5, 11.01) [0.1411, 0.8122, 0.5419]\n", + " PeriodicSite: Li (12.28, 9.431, 0.9313) [0.6044, 0.4643, 0.04585]\n", + " PeriodicSite: Li (12.01, 7.439, 14.66) [0.5913, 0.3662, 0.7218]\n", + " PeriodicSite: Li (12.4, 16.16, 4.219) [0.6106, 0.7956, 0.2077]\n", + " PeriodicSite: Li (13.96, 15.9, 11.75) [0.6875, 0.7826, 0.5785]\n", + " PeriodicSite: Li (1.928, 6.889, 4.905) [0.09491, 0.3391, 0.2415]\n", + " PeriodicSite: Li (17.09, 5.769, 9.509) [0.8412, 0.284, 0.4681]\n", + " PeriodicSite: Li (2.275, 16.63, 4.619) [0.112, 0.8186, 0.2274]\n", + " PeriodicSite: Li (0.1433, 18.51, 11.77) [0.007051, 0.9113, 0.5796]\n", + " PeriodicSite: Li (10.18, 6.736, 3.287) [0.5011, 0.3316, 0.1618]\n", + " PeriodicSite: Li (14.55, 9.02, 12.92) [0.7165, 0.4441, 0.636]\n", + " PeriodicSite: Li (13.37, 16.72, 0.379) [0.6581, 0.8234, 0.01866]\n", + " PeriodicSite: Li (9.288, 16.21, 16.72) [0.4573, 0.7981, 0.8233]\n", + " PeriodicSite: Li (4.782, 8.077, 3.997) [0.2354, 0.3976, 0.1968]\n", + " PeriodicSite: Li (2.103, 9.511, 11.73) [0.1036, 0.4682, 0.5776]\n", + " PeriodicSite: Li (0.2048, 17.41, 2.648) [0.01007, 0.8572, 0.1304]\n", + " PeriodicSite: Li (2.63, 19.88, 12.86) [0.1295, 0.9789, 0.633]\n", + " PeriodicSite: Li (16.03, 9.934, 2.864) [0.7889, 0.489, 0.141]\n", + " PeriodicSite: Li (13.1, 7.22, 10.05) [0.645, 0.3554, 0.4945]\n", + " PeriodicSite: Li (12.07, 19.95, 1.489) [0.5941, 0.9822, 0.07329]\n", + " PeriodicSite: Li (14.56, 15.1, 8.216) [0.7168, 0.7436, 0.4045]\n", + " PeriodicSite: Li (4.542, 5.226, 2.197) [0.2236, 0.2573, 0.1081]\n", + " PeriodicSite: Li (4.288, 8.085, 14.23) [0.2111, 0.398, 0.7007]\n", + " PeriodicSite: Li (4.692, 18.57, 3.235) [0.231, 0.914, 0.1593]\n", + " PeriodicSite: Li (1.915, 14.79, 13.69) [0.09427, 0.728, 0.6737]\n", + " PeriodicSite: Li (13.37, 10.7, 4.072) [0.6581, 0.5268, 0.2005]\n", + " PeriodicSite: Li (14.62, 6.288, 12.14) [0.7197, 0.3095, 0.5977]\n", + " PeriodicSite: Li (14.79, 17.42, 2.624) [0.7279, 0.8576, 0.1292]\n", + " PeriodicSite: Li (15.21, 1.937, 15.3) [0.7489, 0.09537, 0.753]\n", + " PeriodicSite: Li (9.496, 2.987, 4.345) [0.4675, 0.147, 0.2139]\n", + " PeriodicSite: Li (9.365, 2.929, 13.24) [0.4611, 0.1442, 0.6518]\n", + " PeriodicSite: Li (6.075, 10.86, 2.822) [0.2991, 0.5345, 0.1389]\n", + " PeriodicSite: Li (3.925, 11.19, 13.6) [0.1933, 0.5511, 0.6695]\n", + " PeriodicSite: Li (17.09, 1.632, 5.149) [0.8412, 0.08033, 0.2535]\n", + " PeriodicSite: Li (12.73, 4.546, 9.33) [0.6265, 0.2238, 0.4593]\n", + " PeriodicSite: Li (18.2, 12.53, 0.04268) [0.8961, 0.6168, 0.002107]\n", + " PeriodicSite: Li (17.2, 10.35, 13.19) [0.8466, 0.5094, 0.6493]\n", + " PeriodicSite: Li (6.309, 18.57, 5.573) [0.3106, 0.9143, 0.2744]\n", + " PeriodicSite: Li (6.821, 1.755, 14.96) [0.3358, 0.08641, 0.7363]\n", + " PeriodicSite: Li (8.434, 11.98, 20.09) [0.4152, 0.59, 0.9891]\n", + " PeriodicSite: Li (9.756, 14.22, 13.01) [0.4803, 0.6999, 0.6406]\n", + " PeriodicSite: Li (15.4, 1.011, 3.248) [0.7583, 0.04975, 0.1599]\n", + " PeriodicSite: Li (18.72, 1.462, 10.74) [0.9217, 0.07197, 0.5289]\n", + " PeriodicSite: Li (18.44, 14.45, 4.427) [0.9076, 0.7112, 0.218]\n", + " PeriodicSite: Li (17.25, 15.04, 12.36) [0.8492, 0.7406, 0.6085]\n", + " PeriodicSite: Li (8.423, 5.596, 6.594) [0.4147, 0.2755, 0.3246]\n", + " PeriodicSite: Li (9.209, 0.3236, 12.33) [0.4534, 0.01593, 0.6072]\n", + " PeriodicSite: Li (9.582, 13.35, 2.908) [0.4717, 0.6571, 0.1432]\n", + " PeriodicSite: Li (5.689, 13.4, 11.91) [0.2801, 0.6596, 0.5862]\n", + " PeriodicSite: Li (19.98, 2.604, 2.679) [0.9835, 0.1282, 0.1319]\n", + " PeriodicSite: Li (18.94, 4.363, 12.93) [0.9322, 0.2148, 0.6363]\n", + " PeriodicSite: Li (17.23, 15.0, 1.798) [0.8482, 0.7385, 0.08854]\n", + " PeriodicSite: Li (15.3, 12.09, 13.28) [0.7531, 0.5951, 0.6537]\n", + " PeriodicSite: Li (2.654, 20.1, 4.088) [0.1307, 0.9895, 0.2013]\n", + " PeriodicSite: Li (5.727, 0.4719, 13.1) [0.2819, 0.02323, 0.645]\n", + " PeriodicSite: Li (5.39, 13.39, 1.953) [0.2654, 0.6593, 0.09616]\n", + " PeriodicSite: Li (7.797, 7.287, 15.21) [0.3838, 0.3587, 0.7488]\n", + " PeriodicSite: Li (18.39, 4.91, 3.115) [0.9054, 0.2417, 0.1534]\n", + " PeriodicSite: Li (17.27, 0.2992, 14.25) [0.85, 0.01472, 0.7015]\n", + " PeriodicSite: Li (16.73, 14.46, 18.96) [0.8237, 0.7121, 0.9333]\n", + " PeriodicSite: Li (19.33, 12.26, 11.18) [0.9516, 0.6037, 0.5503]\n", + " PeriodicSite: Li (7.219, 4.291, 0.8563) [0.3554, 0.2112, 0.04216]\n", + " PeriodicSite: Li (4.821, 2.693, 10.52) [0.2374, 0.1326, 0.518]\n", + " PeriodicSite: Li (8.787, 10.46, 1.923) [0.4326, 0.515, 0.09466]\n", + " PeriodicSite: Li (8.403, 11.82, 10.12) [0.4137, 0.5819, 0.4981]\n", + " PeriodicSite: Li (15.51, 3.788, 2.249) [0.7637, 0.1865, 0.1107]\n", + " PeriodicSite: Li (15.54, 3.354, 11.53) [0.7649, 0.1651, 0.5677]\n", + " PeriodicSite: Li (0.585, 11.35, 18.52) [0.0288, 0.559, 0.9119]\n", + " PeriodicSite: Li (19.67, 12.76, 14.29) [0.9683, 0.6282, 0.7038]\n", + " PeriodicSite: Li (8.526, 0.5813, 1.752) [0.4198, 0.02861, 0.08626]\n", + " PeriodicSite: Li (8.326, 2.23, 10.28) [0.4099, 0.1098, 0.5059]\n", + " PeriodicSite: Li (7.433, 12.4, 4.579) [0.3659, 0.6104, 0.2255]\n", + " PeriodicSite: Li (4.749, 17.36, 12.56) [0.2338, 0.8549, 0.6181]\n", + " PeriodicSite: Li (17.43, 3.622, 0.5312) [0.8579, 0.1783, 0.02616]\n", + " PeriodicSite: Li (1.217, 7.4, 14.96) [0.05993, 0.3643, 0.7363]\n", + " PeriodicSite: Li (2.739, 15.2, 8.267) [0.1348, 0.7485, 0.407]\n", + " PeriodicSite: Li (16.58, 13.13, 10.44) [0.8161, 0.6466, 0.5138]\n", + " PeriodicSite: Li (13.41, 7.951, 4.507) [0.66, 0.3914, 0.2219]\n", + " PeriodicSite: Li (5.412, 8.181, 16.62) [0.2665, 0.4028, 0.8184]\n", + " PeriodicSite: Li (7.363, 15.94, 9.766) [0.3625, 0.7846, 0.4808]\n", + " PeriodicSite: Li (6.729, 14.49, 18.68) [0.3313, 0.7134, 0.9196]\n", + " PeriodicSite: Li (16.7, 9.693, 6.983) [0.8222, 0.4772, 0.3438]\n", + " PeriodicSite: Li (3.271, 5.114, 18.17) [0.161, 0.2518, 0.8947]\n", + " PeriodicSite: Li (17.77, 19.32, 5.882) [0.8747, 0.9509, 0.2896]\n", + " PeriodicSite: Li (19.82, 18.66, 18.57) [0.9757, 0.9185, 0.9143]\n", + " PeriodicSite: Li (7.343, 9.189, 5.341) [0.3615, 0.4524, 0.2629]\n", + " PeriodicSite: Li (9.155, 5.745, 17.5) [0.4507, 0.2828, 0.8618]\n", + " PeriodicSite: Li (7.408, 19.54, 9.248) [0.3647, 0.962, 0.4553]\n", + " PeriodicSite: Li (6.541, 18.1, 15.51) [0.322, 0.891, 0.7637]\n", + " PeriodicSite: Li (18.42, 8.535, 9.774) [0.9067, 0.4202, 0.4812]\n", + " PeriodicSite: Li (18.11, 5.831, 15.83) [0.8916, 0.2871, 0.7795]\n", + " PeriodicSite: Li (18.07, 19.93, 8.976) [0.8898, 0.9814, 0.4419]\n", + " PeriodicSite: Li (18.25, 14.88, 16.26) [0.8986, 0.7326, 0.8004]\n", + " PeriodicSite: Li (6.464, 5.736, 8.648) [0.3182, 0.2824, 0.4258]\n", + " PeriodicSite: Li (6.112, 5.383, 17.93) [0.3009, 0.265, 0.8829]\n", + " PeriodicSite: Li (10.07, 17.95, 8.472) [0.496, 0.8839, 0.4171]\n", + " PeriodicSite: Li (12.47, 14.69, 15.38) [0.6141, 0.7233, 0.7569]\n", + " PeriodicSite: Li (20.2, 7.916, 8.094) [0.9942, 0.3897, 0.3985]\n", + " PeriodicSite: Li (20.04, 7.093, 17.53) [0.9864, 0.3492, 0.8628]\n", + " PeriodicSite: Li (17.28, 17.61, 10.46) [0.8505, 0.8672, 0.5152]\n", + " PeriodicSite: Li (16.81, 17.44, 0.1756) [0.8273, 0.8586, 0.00865]\n", + " PeriodicSite: Li (9.03, 8.124, 9.606) [0.4445, 0.4, 0.4729]\n", + " PeriodicSite: Li (6.928, 7.055, 20.07) [0.3411, 0.3473, 0.9883]\n", + " PeriodicSite: Li (5.141, 17.18, 8.483) [0.2531, 0.8458, 0.4177]\n", + " PeriodicSite: Li (7.242, 14.74, 0.948) [0.3565, 0.7256, 0.04668]\n", + " PeriodicSite: Li (15.54, 7.689, 8.467) [0.7651, 0.3786, 0.4169]\n", + " PeriodicSite: Li (18.36, 9.37, 19.03) [0.904, 0.4613, 0.9367]\n", + " PeriodicSite: Li (15.44, 18.38, 7.214) [0.7601, 0.9051, 0.3552]\n", + " PeriodicSite: Li (15.08, 18.2, 17.81) [0.7423, 0.8958, 0.8767]\n", + " PeriodicSite: Li (6.733, 4.714, 11.53) [0.3315, 0.2321, 0.5679]\n", + " PeriodicSite: Li (7.729, 9.73, 18.04) [0.3805, 0.479, 0.8882]\n", + " PeriodicSite: Li (9.335, 17.69, 5.996) [0.4596, 0.8708, 0.2952]\n", + " PeriodicSite: Li (10.06, 17.82, 2.625) [0.4952, 0.8771, 0.1292]\n", + " PeriodicSite: Li (17.53, 8.047, 5.212) [0.8632, 0.3962, 0.2566]\n", + " PeriodicSite: Li (16.92, 4.589, 18.65) [0.8332, 0.2259, 0.9183]\n", + " PeriodicSite: Li (19.88, 17.4, 7.408) [0.9786, 0.8565, 0.3647]\n", + " PeriodicSite: Li (17.99, 0.6436, 1.042) [0.8858, 0.03168, 0.05132]\n", + " PeriodicSite: Li (3.138, 10.22, 3.653) [0.1545, 0.5029, 0.1798]\n", + " PeriodicSite: Li (9.387, 7.943, 19.88) [0.4622, 0.391, 0.9789]\n", + " PeriodicSite: Li (8.283, 15.07, 6.911) [0.4078, 0.7421, 0.3402]\n", + " PeriodicSite: Li (6.644, 20.25, 17.46) [0.3271, 0.9969, 0.8595]\n", + " PeriodicSite: Li (18.7, 5.662, 7.034) [0.9207, 0.2787, 0.3463]\n", + " PeriodicSite: Li (16.89, 11.79, 15.37) [0.8313, 0.5802, 0.7565]\n", + " PeriodicSite: Li (20.28, 13.47, 2.493) [0.9986, 0.6631, 0.1227]\n", + " PeriodicSite: Li (12.63, 20.09, 14.2) [0.6217, 0.9889, 0.6991]\n", + " PeriodicSite: Cl (7.875, 12.65, 12.2) [0.3877, 0.6229, 0.6008]\n", + " PeriodicSite: Cl (2.613, 12.4, 17.79) [0.1287, 0.6106, 0.8757]\n", + " PeriodicSite: Cl (13.17, 17.91, 13.01) [0.6481, 0.8818, 0.6403]\n", + " PeriodicSite: Cl (17.69, 7.26, 17.94) [0.8711, 0.3574, 0.883]\n", + " PeriodicSite: Cl (7.513, 2.698, 2.724) [0.3699, 0.1328, 0.1341]\n", + " PeriodicSite: Cl (7.429, 7.615, 7.405) [0.3657, 0.3749, 0.3646]\n", + " PeriodicSite: Cl (13.03, 13.26, 7.827) [0.6415, 0.6529, 0.3853]\n", + " PeriodicSite: Cl (2.757, 7.891, 2.804) [0.1357, 0.3885, 0.1381]\n", + " PeriodicSite: Cl (2.459, 7.418, 12.44) [0.121, 0.3652, 0.6125]\n", + " PeriodicSite: Cl (12.7, 12.79, 17.48) [0.6252, 0.6296, 0.8605]\n", + " PeriodicSite: Cl (17.62, 18.01, 18.2) [0.8677, 0.8864, 0.8962]\n", + " PeriodicSite: Cl (2.064, 2.63, 7.943) [0.1016, 0.1295, 0.391]\n", + " PeriodicSite: Cl (12.83, 2.612, 17.74) [0.6317, 0.1286, 0.8735]\n", + " PeriodicSite: Cl (12.72, 7.692, 2.581) [0.626, 0.3787, 0.1271]\n", + " PeriodicSite: Cl (17.48, 2.512, 12.5) [0.8607, 0.1237, 0.6152]\n", + " PeriodicSite: Cl (7.712, 18.01, 17.98) [0.3797, 0.8866, 0.885]\n", + " PeriodicSite: Cl (0.216, 0.03004, 20.2) [0.01064, 0.00148, 0.9943]\n", + " PeriodicSite: Cl (20.14, 0.08721, 9.977) [0.9916, 0.004285, 0.4912]\n", + " PeriodicSite: Cl (20.15, 9.814, 0.1364) [0.9922, 0.4831, 0.00672]\n", + " PeriodicSite: Cl (0.1064, 9.998, 9.929) [0.005237, 0.4922, 0.4888]\n", + " PeriodicSite: Cl (10.26, 0.1149, 0.05035) [0.5052, 0.00565, 0.002482]\n", + " PeriodicSite: Cl (9.822, 20.2, 9.872) [0.4835, 0.9946, 0.486]\n", + " PeriodicSite: Cl (10.19, 10.16, 0.1017) [0.5017, 0.5004, 0.005009]\n", + " PeriodicSite: Cl (10.03, 10.13, 10.03) [0.4935, 0.4987, 0.494]\n", + " PeriodicSite: Cl (20.19, 4.915, 5.287) [0.9942, 0.242, 0.2603]\n", + " PeriodicSite: Cl (20.26, 5.615, 15.56) [0.9973, 0.2764, 0.766]\n", + " PeriodicSite: Cl (0.3495, 15.25, 4.691) [0.0172, 0.751, 0.231]\n", + " PeriodicSite: Cl (0.2553, 14.71, 15.45) [0.01256, 0.7243, 0.7606]\n", + " PeriodicSite: Cl (10.07, 5.031, 4.973) [0.4959, 0.2477, 0.2448]\n", + " PeriodicSite: Cl (10.15, 5.335, 15.24) [0.4996, 0.2627, 0.7503]\n", + " PeriodicSite: Cl (10.31, 15.75, 5.328) [0.5075, 0.7754, 0.2623]\n", + " PeriodicSite: Cl (10.33, 15.37, 14.98) [0.5087, 0.7566, 0.7377]\n", + " PeriodicSite: S (4.798, 0.02597, 5.224) [0.2362, 0.001277, 0.2572]\n", + " PeriodicSite: S (4.967, 20.05, 15.44) [0.2445, 0.9873, 0.7599]\n", + " PeriodicSite: S (5.203, 10.08, 4.988) [0.2562, 0.4963, 0.2456]\n", + " PeriodicSite: S (5.387, 9.869, 15.03) [0.2652, 0.4859, 0.74]\n", + " PeriodicSite: S (15.18, 0.15, 5.349) [0.7474, 0.007377, 0.2633]\n", + " PeriodicSite: S (15.38, 20.09, 15.63) [0.757, 0.9889, 0.7695]\n", + " PeriodicSite: S (15.52, 10.08, 5.236) [0.7641, 0.4962, 0.2578]\n", + " PeriodicSite: S (15.16, 10.2, 14.81) [0.7462, 0.5023, 0.729]\n", + " PeriodicSite: S (5.059, 5.385, 20.09) [0.2491, 0.2651, 0.9891]\n", + " PeriodicSite: S (4.943, 5.178, 10.28) [0.2434, 0.2549, 0.5063]\n", + " PeriodicSite: S (5.152, 15.08, 20.3) [0.2536, 0.7424, 0.9993]\n", + " PeriodicSite: S (4.662, 15.41, 10.13) [0.2295, 0.7586, 0.4987]\n", + " PeriodicSite: S (15.06, 5.05, 20.3) [0.7413, 0.2486, 0.9994]\n", + " PeriodicSite: S (14.8, 5.389, 10.02) [0.7284, 0.2653, 0.4931]\n", + " PeriodicSite: S (15.43, 15.33, 0.3634) [0.7598, 0.7549, 0.0179]\n", + " PeriodicSite: S (15.67, 15.17, 10.37) [0.7713, 0.7469, 0.5105]\n", + " PeriodicSite: S (8.707, 3.955, 8.466) [0.4287, 0.1947, 0.4168]\n", + " PeriodicSite: S (8.594, 3.867, 19.03) [0.4231, 0.1904, 0.9371]\n", + " PeriodicSite: S (9.181, 13.88, 8.816) [0.452, 0.6833, 0.434]\n", + " PeriodicSite: S (9.228, 14.06, 18.79) [0.4543, 0.6923, 0.9249]\n", + " PeriodicSite: S (19.0, 3.704, 8.738) [0.9353, 0.1824, 0.4302]\n", + " PeriodicSite: S (19.15, 3.721, 18.97) [0.9427, 0.1832, 0.9341]\n", + " PeriodicSite: S (19.18, 13.81, 9.25) [0.9443, 0.6801, 0.4554]\n", + " PeriodicSite: S (19.27, 14.08, 18.7) [0.9488, 0.6931, 0.9208]\n", + " PeriodicSite: S (3.479, 1.235, 1.273) [0.1713, 0.06078, 0.06269]\n", + " PeriodicSite: S (3.57, 0.9456, 11.06) [0.1757, 0.04655, 0.5444]\n", + " PeriodicSite: S (4.161, 11.34, 1.215) [0.2048, 0.5582, 0.05981]\n", + " PeriodicSite: S (3.67, 11.3, 11.29) [0.1807, 0.5563, 0.5556]\n", + " PeriodicSite: S (13.94, 1.457, 1.388) [0.6864, 0.0717, 0.06836]\n", + " PeriodicSite: S (14.02, 1.364, 11.67) [0.6904, 0.06713, 0.5745]\n", + " PeriodicSite: S (14.39, 11.41, 1.499) [0.7086, 0.5618, 0.0738]\n", + " PeriodicSite: S (14.11, 11.26, 11.29) [0.6944, 0.5543, 0.5557]\n", + " PeriodicSite: S (5.943, 1.041, 9.011) [0.2926, 0.05124, 0.4436]\n", + " PeriodicSite: S (6.036, 1.465, 19.43) [0.2972, 0.07212, 0.9564]\n", + " PeriodicSite: S (5.878, 11.26, 8.619) [0.2894, 0.5545, 0.4243]\n", + " PeriodicSite: S (6.389, 11.27, 19.16) [0.3145, 0.5551, 0.943]\n", + " PeriodicSite: S (16.46, 1.243, 9.615) [0.8104, 0.06121, 0.4734]\n", + " PeriodicSite: S (15.96, 1.038, 19.22) [0.7857, 0.05108, 0.9463]\n", + " PeriodicSite: S (16.51, 11.14, 9.083) [0.8126, 0.5485, 0.4472]\n", + " PeriodicSite: S (16.47, 11.46, 19.04) [0.8108, 0.5642, 0.9371]\n", + " PeriodicSite: S (1.134, 3.842, 1.013) [0.05585, 0.1891, 0.04989]\n", + " PeriodicSite: S (0.8343, 3.732, 11.4) [0.04107, 0.1837, 0.5611]\n", + " PeriodicSite: S (1.299, 14.3, 0.7611) [0.06395, 0.7038, 0.03747]\n", + " PeriodicSite: S (1.014, 14.11, 11.55) [0.04991, 0.6947, 0.5687]\n", + " PeriodicSite: S (11.41, 3.7, 0.8524) [0.5617, 0.1821, 0.04197]\n", + " PeriodicSite: S (10.83, 3.719, 10.96) [0.5334, 0.1831, 0.5396]\n", + " PeriodicSite: S (11.41, 14.66, 1.464) [0.5615, 0.7217, 0.07208]\n", + " PeriodicSite: S (11.51, 13.59, 11.24) [0.5665, 0.6689, 0.5533]\n", + " PeriodicSite: S (2.766, 2.685, 17.71) [0.1362, 0.1322, 0.8716]\n", + " PeriodicSite: S (2.428, 12.93, 7.562) [0.1195, 0.6365, 0.3723]\n", + " PeriodicSite: S (12.83, 2.419, 7.814) [0.6317, 0.1191, 0.3847]\n", + " PeriodicSite: S (9.18, 9.015, 3.82) [0.4519, 0.4438, 0.1881]\n", + " PeriodicSite: S (9.2, 8.732, 14.06) [0.4529, 0.4299, 0.6921]\n", + " PeriodicSite: S (8.557, 18.91, 4.274) [0.4212, 0.9309, 0.2104]\n", + " PeriodicSite: S (8.793, 18.87, 14.36) [0.4329, 0.9292, 0.7069]\n", + " PeriodicSite: S (19.55, 8.718, 3.885) [0.9623, 0.4292, 0.1913]\n", + " PeriodicSite: S (19.55, 9.004, 14.09) [0.9623, 0.4433, 0.6936]\n", + " PeriodicSite: S (19.07, 19.51, 3.913) [0.939, 0.9604, 0.1927]\n", + " PeriodicSite: S (19.32, 19.31, 13.84) [0.9511, 0.9504, 0.6814]\n", + " PeriodicSite: S (3.885, 6.578, 6.447) [0.1913, 0.3238, 0.3174]\n", + " PeriodicSite: S (4.185, 6.253, 16.25) [0.206, 0.3078, 0.7999]\n", + " PeriodicSite: S (3.885, 16.5, 6.339) [0.1913, 0.8124, 0.3121]\n", + " PeriodicSite: S (3.573, 15.92, 16.36) [0.1759, 0.7838, 0.8056]\n", + " PeriodicSite: S (14.16, 6.55, 6.478) [0.6969, 0.3225, 0.3189]\n", + " PeriodicSite: S (14.06, 6.521, 16.51) [0.6923, 0.321, 0.8127]\n", + " PeriodicSite: S (13.99, 16.54, 6.081) [0.6887, 0.8144, 0.2994]\n", + " PeriodicSite: S (13.9, 16.19, 16.51) [0.6845, 0.7972, 0.813]\n", + " PeriodicSite: S (6.18, 6.116, 3.837) [0.3042, 0.3011, 0.1889]\n", + " PeriodicSite: S (6.082, 6.111, 13.67) [0.2994, 0.3008, 0.6728]\n", + " PeriodicSite: S (6.134, 16.72, 3.923) [0.302, 0.8231, 0.1932]\n", + " PeriodicSite: S (6.199, 16.14, 14.03) [0.3052, 0.7946, 0.6907]\n", + " PeriodicSite: S (16.44, 6.367, 3.744) [0.8094, 0.3134, 0.1843]\n", + " PeriodicSite: S (16.3, 5.975, 14.08) [0.8026, 0.2941, 0.6932]\n", + " PeriodicSite: S (16.57, 16.19, 3.919) [0.816, 0.7969, 0.193]\n", + " PeriodicSite: S (16.66, 16.29, 14.58) [0.8203, 0.8018, 0.7178]\n", + " PeriodicSite: S (1.5, 8.961, 6.032) [0.07384, 0.4412, 0.297]\n", + " PeriodicSite: S (1.278, 9.072, 16.65) [0.06289, 0.4466, 0.8199]\n", + " PeriodicSite: S (0.9936, 19.3, 6.519) [0.04891, 0.9502, 0.3209]\n", + " PeriodicSite: S (0.9637, 18.85, 16.37) [0.04744, 0.9282, 0.8058]\n", + " PeriodicSite: S (11.9, 9.737, 5.791) [0.5857, 0.4794, 0.2851]\n", + " PeriodicSite: S (11.45, 9.403, 16.38) [0.5637, 0.4629, 0.8066]\n", + " PeriodicSite: S (11.07, 19.23, 6.575) [0.545, 0.9469, 0.3237]\n", + " PeriodicSite: S (11.32, 19.55, 16.44) [0.5572, 0.9625, 0.8092]\n", + " PeriodicSite: S (2.412, 17.99, 2.693) [0.1187, 0.8857, 0.1326]\n", + " PeriodicSite: S (2.388, 17.8, 12.87) [0.1176, 0.8764, 0.6334]\n", + " PeriodicSite: S (12.46, 7.587, 12.36) [0.6136, 0.3735, 0.6086]\n", + " PeriodicSite: S (12.56, 17.72, 2.595) [0.6181, 0.8723, 0.1278]\n", + " PeriodicSite: S (3.737, 4.033, 4.158) [0.184, 0.1985, 0.2047]\n", + " PeriodicSite: S (3.872, 3.773, 13.95) [0.1906, 0.1857, 0.6867]\n", + " PeriodicSite: S (3.758, 14.31, 3.865) [0.185, 0.7045, 0.1903]\n", + " PeriodicSite: S (3.939, 13.72, 13.76) [0.1939, 0.6753, 0.6773]\n", + " PeriodicSite: S (13.94, 4.289, 4.155) [0.6861, 0.2111, 0.2045]\n", + " PeriodicSite: S (13.6, 4.056, 14.15) [0.6697, 0.1997, 0.6968]\n", + " PeriodicSite: S (13.91, 14.15, 3.929) [0.6846, 0.6965, 0.1934]\n", + " PeriodicSite: S (14.17, 14.15, 13.93) [0.6976, 0.6964, 0.6859]\n", + " PeriodicSite: S (8.821, 1.437, 6.114) [0.4343, 0.07072, 0.301]\n", + " PeriodicSite: S (8.731, 1.205, 16.64) [0.4298, 0.0593, 0.8193]\n", + " PeriodicSite: S (9.136, 11.42, 5.922) [0.4498, 0.562, 0.2915]\n", + " PeriodicSite: S (8.632, 11.14, 16.29) [0.4249, 0.5482, 0.8021]\n", + " PeriodicSite: S (18.6, 1.227, 6.685) [0.9156, 0.06039, 0.3291]\n", + " PeriodicSite: S (18.66, 1.087, 16.11) [0.9189, 0.05349, 0.7929]\n", + " PeriodicSite: S (19.17, 11.1, 6.292) [0.9438, 0.5464, 0.3098]\n", + " PeriodicSite: S (19.32, 11.59, 16.38) [0.9511, 0.5707, 0.8065]\n", + " PeriodicSite: S (1.041, 1.598, 4.53) [0.05126, 0.07866, 0.223]\n", + " PeriodicSite: S (1.17, 1.375, 14.42) [0.05759, 0.06769, 0.7097]\n", + " PeriodicSite: S (1.039, 11.69, 3.946) [0.05115, 0.5753, 0.1943]\n", + " PeriodicSite: S (1.534, 11.51, 14.2) [0.07552, 0.5667, 0.699]\n", + " PeriodicSite: S (11.11, 0.7731, 3.862) [0.5471, 0.03806, 0.1902]\n", + " PeriodicSite: S (10.77, 1.23, 13.97) [0.5304, 0.06054, 0.6878]\n", + " PeriodicSite: S (11.25, 11.61, 3.206) [0.5539, 0.5715, 0.1578]\n", + " PeriodicSite: S (11.07, 11.31, 13.84) [0.5451, 0.5568, 0.6813]\n", + " PeriodicSite: S (6.075, 4.101, 6.604) [0.2991, 0.2019, 0.3251]\n", + " PeriodicSite: S (6.098, 3.693, 16.22) [0.3002, 0.1818, 0.7987]\n", + " PeriodicSite: S (6.17, 14.06, 6.146) [0.3038, 0.6922, 0.3026]\n", + " PeriodicSite: S (6.22, 13.92, 16.33) [0.3062, 0.6854, 0.804]\n", + " PeriodicSite: S (16.59, 4.037, 6.113) [0.8168, 0.1987, 0.301]\n", + " PeriodicSite: S (16.09, 3.856, 16.46) [0.7919, 0.1898, 0.8103]\n", + " PeriodicSite: S (16.39, 13.84, 6.294) [0.8069, 0.6812, 0.3099]\n", + " PeriodicSite: S (16.35, 13.95, 16.83) [0.8049, 0.6867, 0.8285]\n", + " PeriodicSite: S (7.413, 2.036, 12.46) [0.365, 0.1002, 0.6134]\n", + " PeriodicSite: S (7.519, 12.71, 2.137) [0.3702, 0.6256, 0.1052]\n", + " PeriodicSite: S (17.6, 2.515, 2.422) [0.8665, 0.1238, 0.1192]\n", + " PeriodicSite: S (18.12, 12.88, 2.524) [0.8921, 0.6343, 0.1243]\n", + " PeriodicSite: S (17.58, 12.59, 12.88) [0.8654, 0.6197, 0.6341]\n", + " PeriodicSite: S (3.679, 8.826, 9.188) [0.1811, 0.4345, 0.4523]\n", + " PeriodicSite: S (4.043, 8.998, 18.99) [0.199, 0.443, 0.9349]\n", + " PeriodicSite: S (3.321, 18.83, 8.933) [0.1635, 0.9271, 0.4398]\n", + " PeriodicSite: S (4.027, 19.09, 19.44) [0.1982, 0.9399, 0.9573]\n", + " PeriodicSite: S (13.8, 9.171, 8.827) [0.6794, 0.4515, 0.4346]\n", + " PeriodicSite: S (14.02, 9.235, 19.29) [0.6903, 0.4547, 0.9494]\n", + " PeriodicSite: S (14.03, 19.1, 9.41) [0.6906, 0.9401, 0.4633]\n", + " PeriodicSite: S (13.64, 18.98, 19.58) [0.6714, 0.9346, 0.9642]\n", + " PeriodicSite: S (8.98, 5.956, 1.248) [0.4421, 0.2932, 0.06146]\n", + " PeriodicSite: S (8.748, 6.334, 11.08) [0.4307, 0.3118, 0.5455]\n", + " PeriodicSite: S (8.792, 16.61, 0.7846) [0.4328, 0.8179, 0.03863]\n", + " PeriodicSite: S (9.126, 15.78, 11.56) [0.4493, 0.777, 0.569]\n", + " PeriodicSite: S (19.04, 6.081, 0.8823) [0.9375, 0.2993, 0.04344]\n", + " PeriodicSite: S (18.87, 6.034, 11.26) [0.9292, 0.297, 0.5542]\n", + " PeriodicSite: S (18.97, 16.52, 0.9726) [0.9341, 0.8132, 0.04789]\n", + " PeriodicSite: S (18.98, 16.45, 11.78) [0.9343, 0.8099, 0.58]\n", + " PeriodicSite: S (0.9903, 5.957, 8.711) [0.04876, 0.2933, 0.4288]\n", + " PeriodicSite: S (1.195, 6.408, 19.16) [0.05882, 0.3155, 0.9433]\n", + " PeriodicSite: S (0.9383, 16.65, 9.423) [0.04619, 0.8195, 0.4639]\n", + " PeriodicSite: S (1.109, 16.56, 18.69) [0.05458, 0.8154, 0.9203]\n", + " PeriodicSite: S (10.98, 6.365, 8.589) [0.5404, 0.3134, 0.4229]\n", + " PeriodicSite: S (11.13, 6.336, 19.02) [0.5477, 0.3119, 0.9363]\n", + " PeriodicSite: S (11.63, 16.3, 9.177) [0.5727, 0.8026, 0.4518]\n", + " PeriodicSite: S (11.56, 16.62, 19.04) [0.5691, 0.818, 0.9374]\n", + " PeriodicSite: S (6.338, 8.858, 1.366) [0.312, 0.4361, 0.06723]\n", + " PeriodicSite: S (6.165, 8.982, 11.03) [0.3035, 0.4422, 0.5428]\n", + " PeriodicSite: S (6.235, 19.44, 1.537) [0.3069, 0.9569, 0.07569]\n", + " PeriodicSite: S (5.979, 19.02, 11.26) [0.2943, 0.9365, 0.5546]\n", + " PeriodicSite: S (16.94, 9.151, 0.8916) [0.8339, 0.4505, 0.0439]\n", + " PeriodicSite: S (16.34, 8.893, 11.34) [0.8046, 0.4378, 0.5583]\n", + " PeriodicSite: S (16.16, 19.31, 1.786) [0.7957, 0.9506, 0.08795]\n", + " PeriodicSite: S (16.45, 19.11, 11.85) [0.81, 0.9409, 0.5832]\n", + " PeriodicSite: S (7.521, 7.561, 17.74) [0.3703, 0.3722, 0.8732]\n", + " PeriodicSite: S (7.599, 17.41, 7.794) [0.3741, 0.8573, 0.3837]\n", + " PeriodicSite: S (17.79, 7.727, 7.752) [0.876, 0.3804, 0.3817]\n", + " PeriodicSite: S (17.57, 17.88, 7.981) [0.8651, 0.8803, 0.3929]\n", + " PeriodicSite: P (4.974, 0.1704, 0.35) [0.2449, 0.008388, 0.01723]\n", + " PeriodicSite: P (4.744, 19.95, 9.908) [0.2336, 0.982, 0.4878]\n", + " PeriodicSite: P (5.206, 9.989, 0.01562) [0.2563, 0.4918, 0.0007713]\n", + " PeriodicSite: P (4.914, 10.21, 9.966) [0.2419, 0.5024, 0.4906]\n", + " PeriodicSite: P (14.97, 20.3, 0.3669) [0.737, 0.9992, 0.01807]\n", + " PeriodicSite: P (15.2, 0.004357, 10.59) [0.7481, 0.0002083, 0.5212]\n", + " PeriodicSite: P (15.44, 10.36, 0.07225) [0.7601, 0.5098, 0.003562]\n", + " PeriodicSite: P (15.13, 9.977, 10.07) [0.7449, 0.4912, 0.4957]\n", + " PeriodicSite: P (4.937, 5.235, 5.326) [0.243, 0.2577, 0.2622]\n", + " PeriodicSite: P (5.067, 4.963, 14.98) [0.2495, 0.2444, 0.7373]\n", + " PeriodicSite: P (5.007, 15.45, 5.007) [0.2465, 0.7605, 0.2465]\n", + " PeriodicSite: P (4.95, 14.99, 15.07) [0.2437, 0.738, 0.7421]\n", + " PeriodicSite: P (15.39, 5.323, 5.212) [0.7574, 0.2621, 0.2566]\n", + " PeriodicSite: P (14.92, 5.139, 15.3) [0.7346, 0.253, 0.7534]\n", + " PeriodicSite: P (15.21, 15.18, 5.073) [0.7488, 0.7474, 0.2497]\n", + " PeriodicSite: P (15.3, 15.12, 15.37) [0.7531, 0.7442, 0.7568]\n", + " PeriodicSite: P (20.05, 0.1802, 5.446) [0.987, 0.008865, 0.2681]\n", + " PeriodicSite: P (20.2, 0.08678, 15.38) [0.9944, 0.004264, 0.757]\n", + " PeriodicSite: P (0.1235, 10.17, 5.035) [0.006077, 0.5005, 0.2479]\n", + " PeriodicSite: P (0.2478, 10.26, 15.27) [0.0122, 0.5052, 0.7518]\n", + " PeriodicSite: P (9.878, 20.24, 5.221) [0.4863, 0.9962, 0.257]\n", + " PeriodicSite: P (9.864, 0.1063, 15.35) [0.4856, 0.00523, 0.7559]\n", + " PeriodicSite: P (10.39, 10.44, 4.652) [0.5113, 0.5139, 0.229]\n", + " PeriodicSite: P (10.09, 10.16, 15.17) [0.4965, 0.5, 0.747]\n", + " PeriodicSite: P (0.04711, 4.926, 20.12) [0.002323, 0.2425, 0.9906]\n", + " PeriodicSite: P (20.16, 4.892, 10.08) [0.9926, 0.2408, 0.4964]\n", + " PeriodicSite: P (20.24, 15.39, 20.01) [0.9964, 0.7575, 0.9849]\n", + " PeriodicSite: P (20.11, 15.36, 10.42) [0.9902, 0.7564, 0.5131]\n", + " PeriodicSite: P (10.11, 4.897, 20.15) [0.4978, 0.2411, 0.9918]\n", + " PeriodicSite: P (9.866, 5.153, 9.754) [0.4857, 0.2537, 0.4802]\n", + " PeriodicSite: P (10.34, 15.55, 20.24) [0.5088, 0.7657, 0.9963]\n", + " PeriodicSite: P (10.51, 14.92, 10.23) [0.5176, 0.7345, 0.5036],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.413, 3.832, 5.56) [0.1188, 0.1886, 0.2737]\n", + " PeriodicSite: Li (1.543, 3.095, 15.86) [0.07599, 0.1524, 0.7806]\n", + " PeriodicSite: Li (2.628, 12.98, 10.14) [0.1294, 0.639, 0.4994]\n", + " PeriodicSite: Li (1.499, 14.61, 16.71) [0.07382, 0.719, 0.8226]\n", + " PeriodicSite: Li (14.51, 0.9727, 7.56) [0.7143, 0.04788, 0.3722]\n", + " PeriodicSite: Li (11.91, 3.095, 15.25) [0.5862, 0.1524, 0.7509]\n", + " PeriodicSite: Li (17.23, 11.82, 5.034) [0.8484, 0.5818, 0.2478]\n", + " PeriodicSite: Li (15.63, 7.908, 16.16) [0.7695, 0.3893, 0.7955]\n", + " PeriodicSite: Li (3.606, 4.127, 8.595) [0.1775, 0.2032, 0.4231]\n", + " PeriodicSite: Li (3.65, 0.6665, 18.26) [0.1797, 0.03281, 0.8991]\n", + " PeriodicSite: Li (5.296, 8.404, 7.311) [0.2607, 0.4137, 0.36]\n", + " PeriodicSite: Li (6.892, 10.25, 13.18) [0.3393, 0.5048, 0.649]\n", + " PeriodicSite: Li (12.03, 4.845, 6.814) [0.5923, 0.2385, 0.3355]\n", + " PeriodicSite: Li (13.64, 5.691, 18.64) [0.6717, 0.2802, 0.9176]\n", + " PeriodicSite: Li (11.13, 9.725, 12.02) [0.548, 0.4788, 0.5917]\n", + " PeriodicSite: Li (9.685, 18.34, 19.08) [0.4768, 0.9028, 0.9393]\n", + " PeriodicSite: Li (3.703, 0.5887, 6.831) [0.1823, 0.02898, 0.3363]\n", + " PeriodicSite: Li (3.769, 2.017, 15.68) [0.1855, 0.09931, 0.772]\n", + " PeriodicSite: Li (4.321, 11.67, 6.482) [0.2127, 0.5743, 0.3191]\n", + " PeriodicSite: Li (7.003, 11.7, 15.52) [0.3447, 0.5759, 0.7638]\n", + " PeriodicSite: Li (12.36, 1.295, 9.345) [0.6085, 0.06373, 0.4601]\n", + " PeriodicSite: Li (10.85, 2.099, 19.43) [0.5342, 0.1033, 0.9564]\n", + " PeriodicSite: Li (13.68, 13.19, 10.04) [0.6734, 0.6492, 0.4945]\n", + " PeriodicSite: Li (11.28, 11.07, 17.97) [0.5554, 0.5452, 0.8846]\n", + " PeriodicSite: Li (20.13, 3.132, 6.634) [0.991, 0.1542, 0.3266]\n", + " PeriodicSite: Li (0.706, 2.49, 19.44) [0.03476, 0.1226, 0.9573]\n", + " PeriodicSite: Li (0.1157, 12.9, 7.641) [0.005693, 0.6352, 0.3762]\n", + " PeriodicSite: Li (3.963, 13.05, 19.7) [0.1951, 0.6424, 0.9699]\n", + " PeriodicSite: Li (13.8, 1.957, 5.304) [0.6794, 0.09635, 0.2611]\n", + " PeriodicSite: Li (13.11, 0.3457, 17.26) [0.6452, 0.01701, 0.8497]\n", + " PeriodicSite: Li (10.48, 11.99, 8.07) [0.5157, 0.5903, 0.3973]\n", + " PeriodicSite: Li (12.93, 14.96, 18.92) [0.6364, 0.7365, 0.9317]\n", + " PeriodicSite: Li (6.512, 0.7419, 6.182) [0.3206, 0.03652, 0.3043]\n", + " PeriodicSite: Li (2.053, 19.5, 1.128) [0.1011, 0.96, 0.05555]\n", + " PeriodicSite: Li (4.815, 13.51, 8.292) [0.2371, 0.6651, 0.4082]\n", + " PeriodicSite: Li (20.14, 17.44, 14.56) [0.9916, 0.8585, 0.7168]\n", + " PeriodicSite: Li (14.94, 3.768, 8.18) [0.7356, 0.1855, 0.4027]\n", + " PeriodicSite: Li (13.91, 2.962, 19.98) [0.6847, 0.1458, 0.9836]\n", + " PeriodicSite: Li (17.04, 15.57, 8.003) [0.839, 0.7667, 0.394]\n", + " PeriodicSite: Li (14.02, 13.76, 1.359) [0.6902, 0.6773, 0.06691]\n", + " PeriodicSite: Li (5.635, 0.9363, 3.411) [0.2774, 0.04609, 0.1679]\n", + " PeriodicSite: Li (3.803, 2.938, 20.01) [0.1872, 0.1446, 0.9849]\n", + " PeriodicSite: Li (1.569, 13.14, 5.146) [0.07724, 0.6469, 0.2534]\n", + " PeriodicSite: Li (19.07, 10.57, 2.03) [0.9387, 0.5202, 0.09995]\n", + " PeriodicSite: Li (10.63, 2.457, 7.393) [0.5234, 0.121, 0.364]\n", + " PeriodicSite: Li (16.87, 0.05705, 17.49) [0.8307, 0.002802, 0.8611]\n", + " PeriodicSite: Li (14.54, 10.87, 7.075) [0.7157, 0.535, 0.3483]\n", + " PeriodicSite: Li (15.01, 11.26, 17.44) [0.7389, 0.5544, 0.8586]\n", + " PeriodicSite: Li (3.563, 10.5, 16.71) [0.1754, 0.5168, 0.8228]\n", + " PeriodicSite: Li (1.846, 10.47, 8.211) [0.09086, 0.5153, 0.4043]\n", + " PeriodicSite: Li (3.699, 16.63, 18.74) [0.1821, 0.8187, 0.9225]\n", + " PeriodicSite: Li (1.593, 1.688, 9.645) [0.07845, 0.08312, 0.4748]\n", + " PeriodicSite: Li (13.21, 5.53, 1.584) [0.6504, 0.2722, 0.07801]\n", + " PeriodicSite: Li (13.05, 10.44, 15.22) [0.6425, 0.5138, 0.7493]\n", + " PeriodicSite: Li (11.31, 14.71, 7.02) [0.5569, 0.7243, 0.3456]\n", + " PeriodicSite: Li (15.0, 18.01, 14.04) [0.7384, 0.8869, 0.6913]\n", + " PeriodicSite: Li (3.468, 6.852, 0.2979) [0.1708, 0.3373, 0.01467]\n", + " PeriodicSite: Li (2.518, 5.465, 11.12) [0.124, 0.2691, 0.5473]\n", + " PeriodicSite: Li (6.626, 17.55, 20.05) [0.3262, 0.864, 0.9871]\n", + " PeriodicSite: Li (2.921, 18.44, 15.55) [0.1438, 0.9077, 0.7655]\n", + " PeriodicSite: Li (16.81, 6.633, 1.012) [0.8276, 0.3265, 0.04983]\n", + " PeriodicSite: Li (10.49, 6.225, 12.32) [0.5163, 0.3065, 0.6067]\n", + " PeriodicSite: Li (13.09, 19.58, 4.779) [0.6446, 0.9642, 0.2353]\n", + " PeriodicSite: Li (10.9, 17.76, 14.46) [0.5366, 0.8745, 0.712]\n", + " PeriodicSite: Li (0.6793, 8.45, 1.672) [0.03344, 0.416, 0.08229]\n", + " PeriodicSite: Li (5.125, 7.435, 10.64) [0.2523, 0.366, 0.524]\n", + " PeriodicSite: Li (3.409, 16.12, 1.468) [0.1678, 0.7935, 0.07227]\n", + " PeriodicSite: Li (3.343, 16.66, 10.8) [0.1646, 0.8202, 0.5318]\n", + " PeriodicSite: Li (12.09, 9.239, 1.343) [0.5951, 0.4549, 0.06614]\n", + " PeriodicSite: Li (12.16, 6.793, 14.41) [0.5985, 0.3344, 0.7095]\n", + " PeriodicSite: Li (12.63, 16.42, 4.542) [0.6216, 0.8084, 0.2236]\n", + " PeriodicSite: Li (13.37, 15.67, 11.71) [0.658, 0.7716, 0.5766]\n", + " PeriodicSite: Li (1.551, 6.999, 4.514) [0.07637, 0.3446, 0.2222]\n", + " PeriodicSite: Li (17.26, 5.853, 9.792) [0.8499, 0.2881, 0.4821]\n", + " PeriodicSite: Li (2.225, 15.98, 4.203) [0.1095, 0.7867, 0.2069]\n", + " PeriodicSite: Li (0.2574, 17.79, 11.35) [0.01267, 0.8758, 0.5589]\n", + " PeriodicSite: Li (10.44, 6.824, 3.275) [0.5139, 0.336, 0.1612]\n", + " PeriodicSite: Li (14.62, 9.361, 13.11) [0.7196, 0.4609, 0.6454]\n", + " PeriodicSite: Li (13.0, 17.47, 0.4898) [0.6402, 0.8598, 0.02412]\n", + " PeriodicSite: Li (9.357, 15.57, 16.97) [0.4607, 0.7664, 0.8354]\n", + " PeriodicSite: Li (4.965, 7.843, 4.128) [0.2444, 0.3861, 0.2032]\n", + " PeriodicSite: Li (2.091, 9.613, 12.62) [0.1029, 0.4733, 0.6213]\n", + " PeriodicSite: Li (0.2508, 17.68, 2.822) [0.01234, 0.8706, 0.1389]\n", + " PeriodicSite: Li (2.148, 19.91, 13.16) [0.1057, 0.9803, 0.6477]\n", + " PeriodicSite: Li (16.24, 10.99, 3.0) [0.7995, 0.5411, 0.1477]\n", + " PeriodicSite: Li (13.07, 7.596, 9.974) [0.6433, 0.3739, 0.491]\n", + " PeriodicSite: Li (11.91, 20.11, 1.852) [0.5861, 0.99, 0.09118]\n", + " PeriodicSite: Li (14.0, 14.96, 8.193) [0.6892, 0.7367, 0.4033]\n", + " PeriodicSite: Li (4.643, 5.464, 2.334) [0.2286, 0.269, 0.1149]\n", + " PeriodicSite: Li (4.672, 7.688, 14.37) [0.23, 0.3785, 0.7073]\n", + " PeriodicSite: Li (4.964, 18.32, 3.0) [0.2444, 0.9017, 0.1477]\n", + " PeriodicSite: Li (2.464, 15.57, 14.09) [0.1213, 0.7664, 0.6934]\n", + " PeriodicSite: Li (13.22, 11.37, 4.62) [0.6507, 0.5599, 0.2275]\n", + " PeriodicSite: Li (14.59, 6.458, 12.23) [0.7185, 0.3179, 0.6021]\n", + " PeriodicSite: Li (14.92, 17.64, 2.549) [0.7347, 0.8685, 0.1255]\n", + " PeriodicSite: Li (15.31, 1.986, 14.72) [0.754, 0.09776, 0.7245]\n", + " PeriodicSite: Li (9.803, 3.845, 3.344) [0.4826, 0.1893, 0.1646]\n", + " PeriodicSite: Li (9.544, 2.948, 13.17) [0.4699, 0.1451, 0.6482]\n", + " PeriodicSite: Li (5.971, 10.82, 2.809) [0.294, 0.5326, 0.1383]\n", + " PeriodicSite: Li (4.215, 11.37, 13.56) [0.2075, 0.5596, 0.6676]\n", + " PeriodicSite: Li (17.22, 2.005, 5.01) [0.8478, 0.09868, 0.2467]\n", + " PeriodicSite: Li (12.91, 4.456, 9.45) [0.6353, 0.2194, 0.4652]\n", + " PeriodicSite: Li (18.16, 12.67, 0.1025) [0.894, 0.6238, 0.005051]\n", + " PeriodicSite: Li (17.59, 9.872, 13.17) [0.8661, 0.486, 0.6485]\n", + " PeriodicSite: Li (5.8, 18.03, 6.095) [0.2855, 0.8875, 0.3001]\n", + " PeriodicSite: Li (6.82, 1.905, 14.82) [0.3358, 0.09378, 0.7297]\n", + " PeriodicSite: Li (8.224, 12.37, 0.03652) [0.4049, 0.6092, 0.001801]\n", + " PeriodicSite: Li (9.495, 13.2, 13.01) [0.4675, 0.6496, 0.6403]\n", + " PeriodicSite: Li (15.76, 0.6229, 3.307) [0.7759, 0.03066, 0.1628]\n", + " PeriodicSite: Li (18.67, 1.768, 9.978) [0.9191, 0.08705, 0.4912]\n", + " PeriodicSite: Li (18.29, 14.45, 4.462) [0.9002, 0.7113, 0.2197]\n", + " PeriodicSite: Li (16.45, 14.84, 12.62) [0.8097, 0.7307, 0.6214]\n", + " PeriodicSite: Li (8.021, 5.427, 5.68) [0.3949, 0.2672, 0.2796]\n", + " PeriodicSite: Li (8.42, 0.2312, 12.17) [0.4146, 0.01138, 0.5992]\n", + " PeriodicSite: Li (9.638, 13.46, 3.383) [0.4745, 0.6624, 0.1666]\n", + " PeriodicSite: Li (5.46, 15.16, 12.31) [0.2688, 0.7463, 0.606]\n", + " PeriodicSite: Li (19.98, 2.446, 2.128) [0.9836, 0.1204, 0.1048]\n", + " PeriodicSite: Li (18.71, 4.693, 12.79) [0.921, 0.2311, 0.6294]\n", + " PeriodicSite: Li (16.47, 14.65, 2.031) [0.8109, 0.7214, 0.1]\n", + " PeriodicSite: Li (15.51, 12.14, 13.33) [0.7636, 0.5976, 0.6563]\n", + " PeriodicSite: Li (2.65, 18.8, 4.781) [0.1305, 0.9255, 0.2354]\n", + " PeriodicSite: Li (5.42, 0.6578, 13.02) [0.2668, 0.03238, 0.6411]\n", + " PeriodicSite: Li (5.617, 12.92, 1.435) [0.2765, 0.6359, 0.07064]\n", + " PeriodicSite: Li (7.662, 7.38, 15.51) [0.3772, 0.3633, 0.7636]\n", + " PeriodicSite: Li (18.66, 4.814, 3.562) [0.9185, 0.237, 0.1754]\n", + " PeriodicSite: Li (17.31, 0.2771, 14.1) [0.8521, 0.01364, 0.6943]\n", + " PeriodicSite: Li (16.26, 14.99, 18.64) [0.8003, 0.7379, 0.9177]\n", + " PeriodicSite: Li (19.33, 12.56, 11.14) [0.9514, 0.6184, 0.5483]\n", + " PeriodicSite: Li (6.987, 3.782, 0.5512) [0.344, 0.1862, 0.02714]\n", + " PeriodicSite: Li (5.378, 2.545, 10.72) [0.2647, 0.1253, 0.5279]\n", + " PeriodicSite: Li (8.938, 10.81, 1.945) [0.44, 0.5322, 0.09577]\n", + " PeriodicSite: Li (7.522, 11.3, 10.32) [0.3703, 0.5562, 0.5081]\n", + " PeriodicSite: Li (15.82, 3.978, 2.294) [0.7789, 0.1958, 0.1129]\n", + " PeriodicSite: Li (15.44, 3.32, 11.41) [0.76, 0.1634, 0.5619]\n", + " PeriodicSite: Li (0.7087, 11.16, 18.32) [0.03489, 0.5492, 0.9017]\n", + " PeriodicSite: Li (20.17, 13.03, 14.23) [0.9929, 0.6416, 0.7003]\n", + " PeriodicSite: Li (8.601, 0.5008, 2.228) [0.4234, 0.02465, 0.1097]\n", + " PeriodicSite: Li (8.647, 2.489, 10.19) [0.4257, 0.1225, 0.5015]\n", + " PeriodicSite: Li (7.237, 12.13, 5.055) [0.3563, 0.597, 0.2489]\n", + " PeriodicSite: Li (4.636, 18.1, 13.14) [0.2282, 0.8913, 0.6468]\n", + " PeriodicSite: Li (17.64, 3.128, 0.3523) [0.8684, 0.154, 0.01735]\n", + " PeriodicSite: Li (1.515, 6.98, 14.84) [0.07457, 0.3436, 0.7307]\n", + " PeriodicSite: Li (2.94, 15.19, 8.069) [0.1447, 0.7478, 0.3972]\n", + " PeriodicSite: Li (16.79, 13.45, 10.38) [0.8267, 0.662, 0.5111]\n", + " PeriodicSite: Li (13.81, 7.963, 4.96) [0.6799, 0.392, 0.2442]\n", + " PeriodicSite: Li (5.763, 8.504, 17.31) [0.2837, 0.4186, 0.8521]\n", + " PeriodicSite: Li (7.443, 15.23, 9.577) [0.3664, 0.7498, 0.4715]\n", + " PeriodicSite: Li (6.672, 14.66, 18.69) [0.3285, 0.7215, 0.92]\n", + " PeriodicSite: Li (17.11, 9.999, 7.462) [0.8423, 0.4923, 0.3674]\n", + " PeriodicSite: Li (2.525, 4.85, 17.91) [0.1243, 0.2387, 0.8816]\n", + " PeriodicSite: Li (17.19, 18.63, 5.43) [0.8461, 0.9173, 0.2673]\n", + " PeriodicSite: Li (19.94, 19.06, 18.59) [0.9818, 0.9386, 0.9152]\n", + " PeriodicSite: Li (7.547, 9.506, 5.796) [0.3715, 0.468, 0.2854]\n", + " PeriodicSite: Li (9.566, 5.653, 17.51) [0.4709, 0.2783, 0.862]\n", + " PeriodicSite: Li (7.276, 19.7, 9.058) [0.3582, 0.9697, 0.4459]\n", + " PeriodicSite: Li (6.828, 18.45, 15.53) [0.3361, 0.9084, 0.7644]\n", + " PeriodicSite: Li (18.34, 8.387, 9.855) [0.9029, 0.4129, 0.4852]\n", + " PeriodicSite: Li (18.42, 4.58, 15.96) [0.9069, 0.2255, 0.7858]\n", + " PeriodicSite: Li (18.06, 19.94, 8.688) [0.8889, 0.9818, 0.4277]\n", + " PeriodicSite: Li (18.35, 15.74, 16.71) [0.9033, 0.7749, 0.8228]\n", + " PeriodicSite: Li (6.477, 5.324, 8.499) [0.3189, 0.2621, 0.4184]\n", + " PeriodicSite: Li (5.714, 5.169, 18.21) [0.2813, 0.2545, 0.8967]\n", + " PeriodicSite: Li (10.08, 18.12, 8.961) [0.4962, 0.892, 0.4412]\n", + " PeriodicSite: Li (12.55, 14.23, 15.59) [0.6176, 0.7005, 0.7675]\n", + " PeriodicSite: Li (0.05591, 7.886, 8.05) [0.002751, 0.3882, 0.3963]\n", + " PeriodicSite: Li (19.97, 7.328, 16.95) [0.9833, 0.3607, 0.8342]\n", + " PeriodicSite: Li (16.66, 17.4, 10.23) [0.82, 0.8566, 0.5036]\n", + " PeriodicSite: Li (16.62, 17.24, 20.28) [0.8182, 0.849, 0.9985]\n", + " PeriodicSite: Li (8.96, 8.254, 9.336) [0.4411, 0.4063, 0.4596]\n", + " PeriodicSite: Li (6.58, 6.927, 20.2) [0.3239, 0.341, 0.9945]\n", + " PeriodicSite: Li (5.515, 17.17, 8.798) [0.2715, 0.8453, 0.4332]\n", + " PeriodicSite: Li (6.948, 15.01, 2.167) [0.342, 0.7389, 0.1067]\n", + " PeriodicSite: Li (15.52, 6.923, 8.284) [0.764, 0.3408, 0.4078]\n", + " PeriodicSite: Li (18.04, 9.694, 18.92) [0.8881, 0.4772, 0.9317]\n", + " PeriodicSite: Li (15.31, 18.61, 7.495) [0.7539, 0.9161, 0.369]\n", + " PeriodicSite: Li (15.8, 18.0, 17.02) [0.7777, 0.886, 0.838]\n", + " PeriodicSite: Li (6.311, 4.607, 12.06) [0.3107, 0.2268, 0.5936]\n", + " PeriodicSite: Li (8.577, 9.812, 17.91) [0.4223, 0.483, 0.8819]\n", + " PeriodicSite: Li (9.166, 17.91, 6.16) [0.4512, 0.8817, 0.3033]\n", + " PeriodicSite: Li (10.26, 17.71, 3.037) [0.5051, 0.8719, 0.1495]\n", + " PeriodicSite: Li (17.07, 7.69, 5.277) [0.8403, 0.3786, 0.2598]\n", + " PeriodicSite: Li (16.5, 5.863, 18.39) [0.8124, 0.2887, 0.9052]\n", + " PeriodicSite: Li (20.0, 17.84, 7.681) [0.9844, 0.8785, 0.3782]\n", + " PeriodicSite: Li (18.5, 0.08908, 1.928) [0.9109, 0.004377, 0.09492]\n", + " PeriodicSite: Li (3.237, 9.903, 3.688) [0.1594, 0.4875, 0.1816]\n", + " PeriodicSite: Li (9.434, 7.931, 19.94) [0.4645, 0.3904, 0.9818]\n", + " PeriodicSite: Li (8.26, 15.47, 6.949) [0.4066, 0.7615, 0.3421]\n", + " PeriodicSite: Li (6.967, 0.0464, 17.34) [0.343, 0.002282, 0.8539]\n", + " PeriodicSite: Li (18.4, 5.518, 6.578) [0.906, 0.2717, 0.3238]\n", + " PeriodicSite: Li (17.33, 11.97, 15.02) [0.8533, 0.5893, 0.7394]\n", + " PeriodicSite: Li (19.89, 14.43, 2.461) [0.9794, 0.7102, 0.1212]\n", + " PeriodicSite: Li (13.1, 20.11, 14.02) [0.6452, 0.9899, 0.6901]\n", + " PeriodicSite: Cl (7.346, 12.32, 12.69) [0.3616, 0.6067, 0.625]\n", + " PeriodicSite: Cl (2.574, 12.43, 17.88) [0.1267, 0.612, 0.8801]\n", + " PeriodicSite: Cl (12.83, 17.94, 13.11) [0.6316, 0.8833, 0.6455]\n", + " PeriodicSite: Cl (17.71, 7.519, 17.59) [0.8719, 0.3702, 0.866]\n", + " PeriodicSite: Cl (7.489, 2.552, 2.782) [0.3687, 0.1256, 0.137]\n", + " PeriodicSite: Cl (7.607, 7.667, 7.32) [0.3745, 0.3774, 0.3604]\n", + " PeriodicSite: Cl (13.16, 12.85, 7.552) [0.6479, 0.6327, 0.3718]\n", + " PeriodicSite: Cl (2.784, 7.714, 2.517) [0.1371, 0.3798, 0.1239]\n", + " PeriodicSite: Cl (2.95, 7.614, 12.94) [0.1452, 0.3749, 0.6373]\n", + " PeriodicSite: Cl (12.79, 12.64, 17.89) [0.6295, 0.6222, 0.8808]\n", + " PeriodicSite: Cl (17.6, 17.52, 18.07) [0.8665, 0.8623, 0.8898]\n", + " PeriodicSite: Cl (2.014, 2.537, 7.578) [0.09917, 0.1249, 0.3731]\n", + " PeriodicSite: Cl (12.55, 2.681, 17.71) [0.6178, 0.132, 0.8717]\n", + " PeriodicSite: Cl (12.64, 7.354, 2.515) [0.6221, 0.362, 0.1238]\n", + " PeriodicSite: Cl (17.46, 2.636, 13.39) [0.8594, 0.1297, 0.6592]\n", + " PeriodicSite: Cl (7.578, 18.05, 17.78) [0.3731, 0.8886, 0.8754]\n", + " PeriodicSite: Cl (20.07, 20.28, 0.1569) [0.988, 0.9985, 0.00773]\n", + " PeriodicSite: Cl (19.96, 20.28, 9.919) [0.9825, 0.9983, 0.4883]\n", + " PeriodicSite: Cl (19.94, 10.35, 20.06) [0.9817, 0.5096, 0.9878]\n", + " PeriodicSite: Cl (0.1525, 9.888, 9.504) [0.007506, 0.4868, 0.4679]\n", + " PeriodicSite: Cl (10.06, 0.07135, 0.3626) [0.4952, 0.003508, 0.01786]\n", + " PeriodicSite: Cl (9.469, 0.2314, 9.821) [0.4662, 0.01139, 0.4835]\n", + " PeriodicSite: Cl (9.674, 10.55, 20.12) [0.4763, 0.5194, 0.9906]\n", + " PeriodicSite: Cl (9.857, 10.35, 9.794) [0.4853, 0.5096, 0.4821]\n", + " PeriodicSite: Cl (0.05002, 5.302, 5.276) [0.002462, 0.261, 0.2597]\n", + " PeriodicSite: Cl (0.2601, 5.221, 16.08) [0.01281, 0.257, 0.7917]\n", + " PeriodicSite: Cl (0.1075, 15.26, 4.729) [0.005287, 0.751, 0.2328]\n", + " PeriodicSite: Cl (0.06704, 15.28, 15.07) [0.003298, 0.7522, 0.7419]\n", + " PeriodicSite: Cl (10.12, 5.347, 4.967) [0.4982, 0.2632, 0.2446]\n", + " PeriodicSite: Cl (10.33, 5.503, 14.75) [0.5086, 0.2709, 0.7261]\n", + " PeriodicSite: Cl (10.19, 15.54, 5.101) [0.5016, 0.765, 0.2512]\n", + " PeriodicSite: Cl (10.53, 15.34, 15.13) [0.5186, 0.7551, 0.7448]\n", + " PeriodicSite: S (4.741, 19.9, 5.14) [0.2334, 0.9797, 0.253]\n", + " PeriodicSite: S (5.188, 20.16, 15.14) [0.2554, 0.9926, 0.7452]\n", + " PeriodicSite: S (5.364, 10.05, 5.156) [0.2641, 0.4949, 0.2539]\n", + " PeriodicSite: S (5.432, 9.878, 15.16) [0.2674, 0.4863, 0.7466]\n", + " PeriodicSite: S (15.11, 0.09275, 5.56) [0.7441, 0.004559, 0.2737]\n", + " PeriodicSite: S (15.03, 20.08, 15.45) [0.7397, 0.9887, 0.7605]\n", + " PeriodicSite: S (15.74, 10.01, 5.167) [0.7749, 0.4926, 0.2544]\n", + " PeriodicSite: S (15.55, 10.28, 15.12) [0.7655, 0.5061, 0.7445]\n", + " PeriodicSite: S (5.058, 5.12, 0.1341) [0.249, 0.252, 0.006603]\n", + " PeriodicSite: S (4.829, 4.895, 10.38) [0.2377, 0.241, 0.5112]\n", + " PeriodicSite: S (5.269, 15.2, 0.1953) [0.2594, 0.7485, 0.009619]\n", + " PeriodicSite: S (4.974, 15.13, 9.922) [0.2449, 0.745, 0.4885]\n", + " PeriodicSite: S (15.28, 4.921, 0.1807) [0.7521, 0.2423, 0.008901]\n", + " PeriodicSite: S (15.08, 5.283, 10.12) [0.7423, 0.2601, 0.4982]\n", + " PeriodicSite: S (15.02, 15.66, 0.1239) [0.7393, 0.7709, 0.006105]\n", + " PeriodicSite: S (15.32, 15.05, 10.43) [0.7541, 0.7407, 0.5135]\n", + " PeriodicSite: S (8.713, 3.795, 8.369) [0.429, 0.1868, 0.412]\n", + " PeriodicSite: S (8.987, 3.662, 19.26) [0.4425, 0.1803, 0.9483]\n", + " PeriodicSite: S (9.27, 13.97, 8.678) [0.4563, 0.6876, 0.4272]\n", + " PeriodicSite: S (8.925, 14.13, 18.97) [0.4394, 0.6957, 0.9338]\n", + " PeriodicSite: S (18.69, 4.045, 8.809) [0.9199, 0.1991, 0.4337]\n", + " PeriodicSite: S (19.28, 4.259, 19.09) [0.9491, 0.2097, 0.9397]\n", + " PeriodicSite: S (18.88, 14.18, 9.289) [0.9295, 0.6979, 0.4573]\n", + " PeriodicSite: S (19.21, 14.14, 19.04) [0.9458, 0.6961, 0.9375]\n", + " PeriodicSite: S (3.715, 0.9309, 1.581) [0.1829, 0.04583, 0.07785]\n", + " PeriodicSite: S (3.706, 0.9673, 11.37) [0.1825, 0.04762, 0.5599]\n", + " PeriodicSite: S (3.802, 11.32, 1.153) [0.1872, 0.5574, 0.05677]\n", + " PeriodicSite: S (3.646, 11.21, 11.26) [0.1795, 0.5518, 0.5546]\n", + " PeriodicSite: S (14.1, 1.134, 1.315) [0.6942, 0.05581, 0.06475]\n", + " PeriodicSite: S (13.94, 1.442, 11.86) [0.6864, 0.07099, 0.584]\n", + " PeriodicSite: S (14.28, 11.32, 1.455) [0.703, 0.5572, 0.07161]\n", + " PeriodicSite: S (14.2, 11.42, 11.33) [0.6993, 0.5624, 0.5576]\n", + " PeriodicSite: S (5.675, 0.9707, 8.826) [0.2794, 0.04779, 0.4345]\n", + " PeriodicSite: S (5.788, 1.349, 19.17) [0.2849, 0.06641, 0.9437]\n", + " PeriodicSite: S (5.864, 11.46, 8.557) [0.2887, 0.5644, 0.4213]\n", + " PeriodicSite: S (6.439, 11.3, 19.02) [0.317, 0.5561, 0.9363]\n", + " PeriodicSite: S (16.33, 1.549, 9.619) [0.8039, 0.07627, 0.4736]\n", + " PeriodicSite: S (16.64, 1.359, 19.65) [0.8192, 0.06691, 0.9676]\n", + " PeriodicSite: S (16.43, 11.49, 9.04) [0.8091, 0.5658, 0.4451]\n", + " PeriodicSite: S (16.35, 11.77, 19.21) [0.8052, 0.5794, 0.9455]\n", + " PeriodicSite: S (1.217, 3.868, 1.159) [0.05989, 0.1904, 0.05707]\n", + " PeriodicSite: S (0.9021, 3.67, 10.9) [0.04441, 0.1807, 0.5367]\n", + " PeriodicSite: S (1.589, 14.37, 0.9104) [0.07823, 0.7076, 0.04482]\n", + " PeriodicSite: S (0.9737, 14.0, 11.63) [0.04793, 0.6892, 0.5727]\n", + " PeriodicSite: S (11.56, 3.687, 1.157) [0.5691, 0.1815, 0.05695]\n", + " PeriodicSite: S (10.96, 3.651, 10.97) [0.5398, 0.1797, 0.5401]\n", + " PeriodicSite: S (11.27, 14.28, 0.8428) [0.5549, 0.7029, 0.04149]\n", + " PeriodicSite: S (11.37, 13.58, 11.12) [0.5598, 0.6688, 0.5473]\n", + " PeriodicSite: S (2.578, 2.513, 17.95) [0.1269, 0.1237, 0.8837]\n", + " PeriodicSite: S (2.514, 12.84, 7.49) [0.1238, 0.6319, 0.3688]\n", + " PeriodicSite: S (13.01, 2.741, 7.689) [0.6404, 0.135, 0.3786]\n", + " PeriodicSite: S (9.122, 8.812, 3.975) [0.4491, 0.4338, 0.1957]\n", + " PeriodicSite: S (9.196, 9.098, 13.8) [0.4527, 0.4479, 0.6796]\n", + " PeriodicSite: S (8.619, 19.27, 3.942) [0.4243, 0.9485, 0.1941]\n", + " PeriodicSite: S (8.919, 19.14, 13.99) [0.4391, 0.942, 0.6889]\n", + " PeriodicSite: S (19.26, 8.867, 3.812) [0.948, 0.4365, 0.1877]\n", + " PeriodicSite: S (19.79, 8.674, 13.98) [0.9745, 0.427, 0.6885]\n", + " PeriodicSite: S (19.01, 19.28, 3.831) [0.9357, 0.9494, 0.1886]\n", + " PeriodicSite: S (19.33, 19.57, 13.47) [0.9518, 0.9636, 0.6632]\n", + " PeriodicSite: S (3.63, 6.26, 5.874) [0.1787, 0.3082, 0.2892]\n", + " PeriodicSite: S (3.749, 6.321, 16.34) [0.1846, 0.3112, 0.8043]\n", + " PeriodicSite: S (3.938, 16.49, 6.211) [0.1939, 0.8118, 0.3058]\n", + " PeriodicSite: S (3.568, 16.13, 16.32) [0.1757, 0.7942, 0.8034]\n", + " PeriodicSite: S (14.14, 6.115, 6.283) [0.6963, 0.301, 0.3093]\n", + " PeriodicSite: S (13.71, 6.194, 16.3) [0.6752, 0.305, 0.8027]\n", + " PeriodicSite: S (14.19, 16.49, 6.377) [0.6984, 0.8119, 0.314]\n", + " PeriodicSite: S (13.94, 16.18, 16.72) [0.6861, 0.7964, 0.823]\n", + " PeriodicSite: S (6.307, 6.028, 3.896) [0.3105, 0.2968, 0.1918]\n", + " PeriodicSite: S (6.237, 5.89, 14.06) [0.3071, 0.29, 0.6922]\n", + " PeriodicSite: S (6.073, 16.48, 3.82) [0.299, 0.8115, 0.1881]\n", + " PeriodicSite: S (6.212, 16.3, 14.34) [0.3058, 0.8027, 0.706]\n", + " PeriodicSite: S (16.13, 6.251, 3.62) [0.7939, 0.3077, 0.1782]\n", + " PeriodicSite: S (16.2, 6.274, 14.21) [0.7973, 0.3089, 0.6997]\n", + " PeriodicSite: S (16.54, 16.4, 4.027) [0.8141, 0.8072, 0.1982]\n", + " PeriodicSite: S (16.7, 16.38, 14.72) [0.8219, 0.8064, 0.7247]\n", + " PeriodicSite: S (1.402, 9.017, 6.185) [0.06901, 0.4439, 0.3045]\n", + " PeriodicSite: S (1.58, 8.908, 16.52) [0.07776, 0.4386, 0.8134]\n", + " PeriodicSite: S (1.092, 19.53, 6.364) [0.05377, 0.9614, 0.3133]\n", + " PeriodicSite: S (0.8875, 18.89, 16.18) [0.04369, 0.9301, 0.7967]\n", + " PeriodicSite: S (11.9, 9.801, 6.012) [0.5859, 0.4825, 0.296]\n", + " PeriodicSite: S (11.28, 9.211, 16.2) [0.5554, 0.4534, 0.7975]\n", + " PeriodicSite: S (11.12, 19.2, 6.169) [0.5472, 0.9451, 0.3037]\n", + " PeriodicSite: S (11.13, 19.13, 16.28) [0.5479, 0.942, 0.8015]\n", + " PeriodicSite: S (2.573, 17.86, 2.739) [0.1266, 0.879, 0.1348]\n", + " PeriodicSite: S (2.417, 17.63, 12.94) [0.119, 0.8677, 0.6369]\n", + " PeriodicSite: S (12.57, 7.756, 12.4) [0.619, 0.3818, 0.6103]\n", + " PeriodicSite: S (12.64, 18.1, 2.886) [0.6223, 0.8911, 0.1421]\n", + " PeriodicSite: S (3.98, 3.76, 3.869) [0.1959, 0.1851, 0.1905]\n", + " PeriodicSite: S (3.265, 3.899, 14.21) [0.1607, 0.192, 0.6995]\n", + " PeriodicSite: S (3.565, 14.06, 3.941) [0.1755, 0.6924, 0.194]\n", + " PeriodicSite: S (4.07, 13.94, 13.79) [0.2004, 0.6863, 0.6788]\n", + " PeriodicSite: S (14.01, 3.802, 3.797) [0.6895, 0.1871, 0.1869]\n", + " PeriodicSite: S (13.83, 3.807, 14.06) [0.6809, 0.1874, 0.6924]\n", + " PeriodicSite: S (13.88, 14.19, 4.065) [0.6833, 0.6988, 0.2001]\n", + " PeriodicSite: S (14.1, 14.27, 13.89) [0.6939, 0.7027, 0.6839]\n", + " PeriodicSite: S (8.949, 1.268, 6.339) [0.4406, 0.06243, 0.3121]\n", + " PeriodicSite: S (8.79, 1.312, 16.39) [0.4327, 0.0646, 0.8068]\n", + " PeriodicSite: S (9.252, 11.57, 5.98) [0.4555, 0.5696, 0.2944]\n", + " PeriodicSite: S (9.25, 11.68, 16.15) [0.4554, 0.575, 0.7952]\n", + " PeriodicSite: S (18.68, 1.242, 6.469) [0.9196, 0.06114, 0.3185]\n", + " PeriodicSite: S (19.11, 1.05, 16.66) [0.9409, 0.05171, 0.82]\n", + " PeriodicSite: S (19.27, 11.18, 6.268) [0.9488, 0.5505, 0.3086]\n", + " PeriodicSite: S (19.59, 11.17, 16.28) [0.9644, 0.5499, 0.8015]\n", + " PeriodicSite: S (0.9476, 1.842, 4.267) [0.04665, 0.09067, 0.2101]\n", + " PeriodicSite: S (1.218, 1.399, 14.36) [0.05999, 0.06888, 0.7071]\n", + " PeriodicSite: S (1.309, 11.15, 3.591) [0.06443, 0.549, 0.1768]\n", + " PeriodicSite: S (1.682, 11.36, 14.03) [0.08282, 0.5595, 0.6909]\n", + " PeriodicSite: S (10.92, 1.277, 3.652) [0.5375, 0.06286, 0.1798]\n", + " PeriodicSite: S (11.02, 1.445, 14.03) [0.5424, 0.07112, 0.6908]\n", + " PeriodicSite: S (11.08, 11.42, 3.233) [0.5453, 0.5621, 0.1592]\n", + " PeriodicSite: S (11.57, 11.32, 13.75) [0.5694, 0.5573, 0.6767]\n", + " PeriodicSite: S (5.942, 3.875, 6.591) [0.2925, 0.1908, 0.3245]\n", + " PeriodicSite: S (5.939, 3.722, 16.42) [0.2924, 0.1832, 0.8086]\n", + " PeriodicSite: S (6.122, 13.94, 6.348) [0.3014, 0.6863, 0.3125]\n", + " PeriodicSite: S (5.756, 13.62, 16.61) [0.2834, 0.6704, 0.8177]\n", + " PeriodicSite: S (16.61, 3.978, 6.259) [0.8176, 0.1958, 0.3081]\n", + " PeriodicSite: S (16.11, 3.791, 16.51) [0.7933, 0.1866, 0.8128]\n", + " PeriodicSite: S (16.61, 13.83, 6.163) [0.8176, 0.6807, 0.3034]\n", + " PeriodicSite: S (16.2, 13.81, 16.54) [0.7974, 0.68, 0.8145]\n", + " PeriodicSite: S (7.271, 2.347, 12.31) [0.358, 0.1156, 0.6061]\n", + " PeriodicSite: S (7.495, 12.76, 2.558) [0.369, 0.6283, 0.1259]\n", + " PeriodicSite: S (17.64, 2.542, 2.822) [0.8684, 0.1252, 0.139]\n", + " PeriodicSite: S (17.8, 12.61, 2.908) [0.8762, 0.621, 0.1432]\n", + " PeriodicSite: S (17.82, 12.41, 12.84) [0.8771, 0.6112, 0.6323]\n", + " PeriodicSite: S (3.833, 8.808, 9.056) [0.1887, 0.4336, 0.4458]\n", + " PeriodicSite: S (4.066, 8.877, 19.02) [0.2002, 0.437, 0.9365]\n", + " PeriodicSite: S (3.448, 19.06, 8.699) [0.1698, 0.9385, 0.4283]\n", + " PeriodicSite: S (3.877, 18.95, 19.6) [0.1909, 0.9328, 0.965]\n", + " PeriodicSite: S (13.89, 9.292, 8.67) [0.6837, 0.4574, 0.4268]\n", + " PeriodicSite: S (14.08, 9.313, 19.14) [0.6931, 0.4585, 0.9425]\n", + " PeriodicSite: S (13.92, 19.66, 9.426) [0.6855, 0.9679, 0.4641]\n", + " PeriodicSite: S (14.31, 19.2, 19.21) [0.7047, 0.9452, 0.9459]\n", + " PeriodicSite: S (9.001, 6.132, 1.336) [0.4431, 0.3019, 0.0658]\n", + " PeriodicSite: S (8.609, 6.141, 10.7) [0.4238, 0.3023, 0.5269]\n", + " PeriodicSite: S (8.895, 16.86, 1.024) [0.4379, 0.8301, 0.0504]\n", + " PeriodicSite: S (9.013, 15.99, 11.38) [0.4437, 0.7872, 0.5603]\n", + " PeriodicSite: S (19.22, 6.358, 1.653) [0.9463, 0.313, 0.08137]\n", + " PeriodicSite: S (19.16, 6.431, 11.2) [0.9431, 0.3166, 0.5515]\n", + " PeriodicSite: S (19.02, 16.32, 1.232) [0.9362, 0.8033, 0.06066]\n", + " PeriodicSite: S (18.81, 16.41, 11.71) [0.9262, 0.8078, 0.5763]\n", + " PeriodicSite: S (1.159, 6.134, 8.874) [0.05706, 0.302, 0.4369]\n", + " PeriodicSite: S (1.332, 6.473, 19.6) [0.06555, 0.3187, 0.9648]\n", + " PeriodicSite: S (1.047, 16.46, 9.395) [0.05152, 0.8105, 0.4625]\n", + " PeriodicSite: S (0.8989, 16.66, 18.92) [0.04425, 0.8202, 0.9315]\n", + " PeriodicSite: S (11.28, 5.972, 8.58) [0.5555, 0.294, 0.4224]\n", + " PeriodicSite: S (11.36, 6.289, 19.17) [0.5592, 0.3096, 0.9437]\n", + " PeriodicSite: S (11.6, 16.26, 9.086) [0.571, 0.8007, 0.4473]\n", + " PeriodicSite: S (11.34, 16.65, 18.91) [0.5583, 0.8199, 0.9312]\n", + " PeriodicSite: S (6.298, 9.12, 1.168) [0.3101, 0.449, 0.05753]\n", + " PeriodicSite: S (6.388, 9.477, 11.0) [0.3145, 0.4666, 0.5417]\n", + " PeriodicSite: S (6.466, 19.39, 1.453) [0.3183, 0.9545, 0.07153]\n", + " PeriodicSite: S (5.702, 18.73, 11.13) [0.2807, 0.9221, 0.5482]\n", + " PeriodicSite: S (16.76, 9.104, 0.9532) [0.8253, 0.4482, 0.04693]\n", + " PeriodicSite: S (15.98, 8.64, 11.02) [0.7867, 0.4253, 0.5427]\n", + " PeriodicSite: S (16.6, 19.08, 1.411) [0.8171, 0.9394, 0.06945]\n", + " PeriodicSite: S (16.41, 19.32, 11.67) [0.8078, 0.9513, 0.5744]\n", + " PeriodicSite: S (7.792, 7.424, 17.99) [0.3836, 0.3655, 0.8858]\n", + " PeriodicSite: S (7.787, 17.54, 7.905) [0.3833, 0.8636, 0.3892]\n", + " PeriodicSite: S (17.87, 7.543, 7.689) [0.8799, 0.3713, 0.3786]\n", + " PeriodicSite: S (17.49, 17.81, 7.791) [0.8613, 0.877, 0.3836]\n", + " PeriodicSite: P (5.016, 0.04779, 0.3203) [0.247, 0.00235, 0.01577]\n", + " PeriodicSite: P (4.5, 20.04, 10.05) [0.2215, 0.9864, 0.495]\n", + " PeriodicSite: P (5.13, 10.16, 20.2) [0.2525, 0.5004, 0.9946]\n", + " PeriodicSite: P (4.896, 10.28, 9.971) [0.241, 0.5059, 0.4909]\n", + " PeriodicSite: P (15.41, 0.006241, 0.1987) [0.7588, 0.0003002, 0.009787]\n", + " PeriodicSite: P (15.1, 0.2871, 10.76) [0.7435, 0.01413, 0.5297]\n", + " PeriodicSite: P (15.33, 10.27, 0.04645) [0.7549, 0.5058, 0.002292]\n", + " PeriodicSite: P (15.2, 10.23, 10.02) [0.7482, 0.5036, 0.4935]\n", + " PeriodicSite: P (5.07, 4.962, 5.104) [0.2496, 0.2443, 0.2513]\n", + " PeriodicSite: P (4.825, 4.909, 15.18) [0.2375, 0.2417, 0.7473]\n", + " PeriodicSite: P (4.98, 15.11, 5.099) [0.2452, 0.7437, 0.251]\n", + " PeriodicSite: P (4.982, 14.9, 15.33) [0.2453, 0.7336, 0.7547]\n", + " PeriodicSite: P (15.23, 4.998, 5.024) [0.7496, 0.2461, 0.2473]\n", + " PeriodicSite: P (15.03, 4.989, 15.29) [0.7401, 0.2456, 0.7527]\n", + " PeriodicSite: P (15.34, 15.19, 5.151) [0.755, 0.7477, 0.2536]\n", + " PeriodicSite: P (15.14, 15.12, 15.45) [0.7455, 0.7446, 0.7607]\n", + " PeriodicSite: P (20.03, 0.3357, 5.183) [0.9862, 0.01652, 0.2552]\n", + " PeriodicSite: P (20.22, 0.08663, 15.15) [0.9955, 0.004257, 0.746]\n", + " PeriodicSite: P (0.1053, 10.03, 4.99) [0.005179, 0.4938, 0.2457]\n", + " PeriodicSite: P (0.4327, 9.994, 15.14) [0.0213, 0.492, 0.7452]\n", + " PeriodicSite: P (9.95, 0.1251, 4.954) [0.4898, 0.006156, 0.2439]\n", + " PeriodicSite: P (9.873, 0.07977, 15.24) [0.4861, 0.003924, 0.7502]\n", + " PeriodicSite: P (10.35, 10.26, 4.768) [0.5096, 0.5053, 0.2347]\n", + " PeriodicSite: P (10.21, 10.43, 14.92) [0.5025, 0.5136, 0.7347]\n", + " PeriodicSite: P (20.3, 5.257, 0.2457) [0.9994, 0.2588, 0.0121]\n", + " PeriodicSite: P (20.0, 5.096, 9.857) [0.9844, 0.2509, 0.4853]\n", + " PeriodicSite: P (0.01538, 15.41, 20.21) [0.0007556, 0.7586, 0.9952]\n", + " PeriodicSite: P (20.03, 15.19, 10.59) [0.9862, 0.7478, 0.5215]\n", + " PeriodicSite: P (10.29, 4.92, 0.07556) [0.5065, 0.2422, 0.003723]\n", + " PeriodicSite: P (9.895, 4.914, 9.689) [0.4872, 0.2419, 0.477]\n", + " PeriodicSite: P (10.04, 15.48, 20.15) [0.4943, 0.7622, 0.9918]\n", + " PeriodicSite: P (10.28, 15.04, 10.09) [0.5059, 0.7402, 0.4967],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.932, 3.358, 4.692) [0.09512, 0.1653, 0.231]\n", + " PeriodicSite: Li (1.624, 3.308, 16.05) [0.07996, 0.1629, 0.7902]\n", + " PeriodicSite: Li (3.09, 13.48, 10.84) [0.1521, 0.6637, 0.5338]\n", + " PeriodicSite: Li (0.9064, 14.69, 17.39) [0.04462, 0.7233, 0.8562]\n", + " PeriodicSite: Li (14.68, 1.152, 7.322) [0.7225, 0.05672, 0.3605]\n", + " PeriodicSite: Li (11.96, 3.694, 15.68) [0.5888, 0.1818, 0.7721]\n", + " PeriodicSite: Li (17.32, 11.99, 4.715) [0.8529, 0.5903, 0.2321]\n", + " PeriodicSite: Li (15.59, 8.278, 16.25) [0.7674, 0.4075, 0.8002]\n", + " PeriodicSite: Li (3.751, 4.843, 7.881) [0.1846, 0.2384, 0.388]\n", + " PeriodicSite: Li (3.226, 0.2677, 18.03) [0.1588, 0.01318, 0.8879]\n", + " PeriodicSite: Li (4.531, 8.062, 6.478) [0.2231, 0.3969, 0.3189]\n", + " PeriodicSite: Li (6.695, 10.36, 13.24) [0.3296, 0.5101, 0.6516]\n", + " PeriodicSite: Li (12.44, 4.542, 6.102) [0.6124, 0.2236, 0.3004]\n", + " PeriodicSite: Li (13.44, 4.883, 18.93) [0.6615, 0.2404, 0.932]\n", + " PeriodicSite: Li (11.92, 9.785, 11.78) [0.587, 0.4817, 0.58]\n", + " PeriodicSite: Li (9.187, 18.36, 19.47) [0.4523, 0.9038, 0.9584]\n", + " PeriodicSite: Li (3.434, 0.4664, 6.609) [0.1691, 0.02296, 0.3254]\n", + " PeriodicSite: Li (3.628, 1.896, 15.55) [0.1786, 0.09332, 0.7658]\n", + " PeriodicSite: Li (4.544, 11.44, 6.643) [0.2237, 0.5633, 0.327]\n", + " PeriodicSite: Li (7.364, 12.23, 15.58) [0.3625, 0.6019, 0.7672]\n", + " PeriodicSite: Li (12.02, 1.25, 9.641) [0.5916, 0.06153, 0.4746]\n", + " PeriodicSite: Li (10.93, 2.193, 19.73) [0.5379, 0.1079, 0.9713]\n", + " PeriodicSite: Li (13.53, 13.29, 10.12) [0.666, 0.6543, 0.4984]\n", + " PeriodicSite: Li (11.45, 10.79, 17.88) [0.5639, 0.5313, 0.8803]\n", + " PeriodicSite: Li (0.229, 3.198, 7.045) [0.01127, 0.1574, 0.3468]\n", + " PeriodicSite: Li (0.2863, 1.663, 18.88) [0.0141, 0.08188, 0.9294]\n", + " PeriodicSite: Li (0.2003, 13.07, 7.685) [0.009855, 0.6437, 0.3784]\n", + " PeriodicSite: Li (2.768, 12.77, 19.96) [0.1363, 0.6286, 0.9828]\n", + " PeriodicSite: Li (12.97, 1.137, 5.682) [0.6386, 0.05595, 0.2798]\n", + " PeriodicSite: Li (13.24, 0.4663, 16.89) [0.6517, 0.02295, 0.8314]\n", + " PeriodicSite: Li (10.88, 11.21, 7.72) [0.5359, 0.5516, 0.3801]\n", + " PeriodicSite: Li (12.53, 14.87, 19.13) [0.6171, 0.7319, 0.9418]\n", + " PeriodicSite: Li (6.234, 1.696, 6.183) [0.3069, 0.08349, 0.3044]\n", + " PeriodicSite: Li (2.165, 19.42, 1.204) [0.1066, 0.956, 0.05928]\n", + " PeriodicSite: Li (4.631, 13.6, 8.676) [0.228, 0.6696, 0.4271]\n", + " PeriodicSite: Li (0.4235, 17.5, 14.15) [0.02084, 0.8616, 0.6968]\n", + " PeriodicSite: Li (15.33, 3.874, 8.532) [0.7547, 0.1907, 0.42]\n", + " PeriodicSite: Li (14.95, 2.777, 19.34) [0.7358, 0.1367, 0.9522]\n", + " PeriodicSite: Li (17.13, 15.64, 8.464) [0.8434, 0.77, 0.4167]\n", + " PeriodicSite: Li (13.52, 13.59, 0.6773) [0.6658, 0.6693, 0.03335]\n", + " PeriodicSite: Li (5.437, 1.363, 3.5) [0.2677, 0.0671, 0.1723]\n", + " PeriodicSite: Li (3.79, 2.991, 19.66) [0.1866, 0.1473, 0.968]\n", + " PeriodicSite: Li (1.942, 13.1, 5.677) [0.09561, 0.6448, 0.2795]\n", + " PeriodicSite: Li (18.58, 10.6, 2.355) [0.9148, 0.5219, 0.1159]\n", + " PeriodicSite: Li (10.26, 2.414, 7.323) [0.5052, 0.1188, 0.3605]\n", + " PeriodicSite: Li (16.55, 1.474, 16.79) [0.8149, 0.07257, 0.8267]\n", + " PeriodicSite: Li (14.59, 11.02, 7.225) [0.7182, 0.5428, 0.3557]\n", + " PeriodicSite: Li (15.47, 11.51, 17.03) [0.7614, 0.5669, 0.8382]\n", + " PeriodicSite: Li (3.983, 10.77, 17.22) [0.1961, 0.5302, 0.848]\n", + " PeriodicSite: Li (2.042, 10.42, 8.235) [0.1005, 0.513, 0.4054]\n", + " PeriodicSite: Li (3.749, 16.49, 18.83) [0.1846, 0.8116, 0.9271]\n", + " PeriodicSite: Li (1.895, 0.9017, 9.109) [0.09331, 0.04439, 0.4484]\n", + " PeriodicSite: Li (13.32, 5.581, 2.077) [0.6556, 0.2748, 0.1023]\n", + " PeriodicSite: Li (13.26, 10.47, 15.19) [0.6528, 0.5155, 0.7478]\n", + " PeriodicSite: Li (11.41, 14.71, 6.856) [0.5617, 0.7244, 0.3375]\n", + " PeriodicSite: Li (14.73, 18.08, 13.19) [0.7251, 0.8901, 0.6492]\n", + " PeriodicSite: Li (3.502, 6.649, 0.03831) [0.1724, 0.3274, 0.001888]\n", + " PeriodicSite: Li (2.703, 5.393, 11.1) [0.1331, 0.2655, 0.5462]\n", + " PeriodicSite: Li (6.571, 17.02, 20.22) [0.3235, 0.8381, 0.9954]\n", + " PeriodicSite: Li (3.165, 18.36, 15.16) [0.1558, 0.904, 0.7464]\n", + " PeriodicSite: Li (16.3, 6.757, 1.14) [0.8026, 0.3326, 0.05611]\n", + " PeriodicSite: Li (10.29, 7.129, 12.58) [0.5068, 0.351, 0.6192]\n", + " PeriodicSite: Li (13.44, 18.59, 4.482) [0.6619, 0.915, 0.2207]\n", + " PeriodicSite: Li (10.62, 17.71, 14.29) [0.5228, 0.8719, 0.7033]\n", + " PeriodicSite: Li (0.2311, 8.645, 1.441) [0.01137, 0.4256, 0.07092]\n", + " PeriodicSite: Li (4.599, 7.277, 10.53) [0.2264, 0.3582, 0.5183]\n", + " PeriodicSite: Li (3.162, 15.53, 1.881) [0.1557, 0.7646, 0.09263]\n", + " PeriodicSite: Li (2.963, 16.97, 10.87) [0.1458, 0.8353, 0.5354]\n", + " PeriodicSite: Li (11.76, 9.551, 1.676) [0.5791, 0.4702, 0.08249]\n", + " PeriodicSite: Li (12.16, 7.147, 14.85) [0.5985, 0.3518, 0.7313]\n", + " PeriodicSite: Li (12.31, 15.67, 3.665) [0.6058, 0.7716, 0.1804]\n", + " PeriodicSite: Li (13.09, 16.09, 11.23) [0.6444, 0.7919, 0.5528]\n", + " PeriodicSite: Li (1.203, 6.71, 4.226) [0.05923, 0.3303, 0.2081]\n", + " PeriodicSite: Li (17.41, 6.268, 9.473) [0.857, 0.3086, 0.4664]\n", + " PeriodicSite: Li (2.045, 15.97, 4.376) [0.1007, 0.7864, 0.2155]\n", + " PeriodicSite: Li (0.1244, 18.05, 10.92) [0.006119, 0.8886, 0.5377]\n", + " PeriodicSite: Li (10.54, 6.8, 3.425) [0.5189, 0.3348, 0.1686]\n", + " PeriodicSite: Li (14.54, 9.078, 13.08) [0.7158, 0.4469, 0.6441]\n", + " PeriodicSite: Li (12.84, 17.85, 0.1059) [0.6322, 0.8786, 0.005219]\n", + " PeriodicSite: Li (8.985, 16.68, 16.49) [0.4423, 0.8214, 0.8117]\n", + " PeriodicSite: Li (5.013, 8.001, 3.409) [0.2468, 0.3939, 0.1678]\n", + " PeriodicSite: Li (1.532, 9.167, 12.39) [0.07543, 0.4513, 0.6098]\n", + " PeriodicSite: Li (0.06743, 17.58, 2.801) [0.003312, 0.8655, 0.1379]\n", + " PeriodicSite: Li (2.065, 0.05029, 13.17) [0.1016, 0.002476, 0.6484]\n", + " PeriodicSite: Li (15.74, 10.69, 2.767) [0.7748, 0.5263, 0.1362]\n", + " PeriodicSite: Li (13.31, 7.139, 10.48) [0.6552, 0.3515, 0.5161]\n", + " PeriodicSite: Li (11.43, 20.04, 2.243) [0.5626, 0.9867, 0.1104]\n", + " PeriodicSite: Li (14.09, 15.92, 8.535) [0.6935, 0.7838, 0.4202]\n", + " PeriodicSite: Li (5.172, 4.756, 2.225) [0.2546, 0.2341, 0.1095]\n", + " PeriodicSite: Li (4.598, 8.196, 14.46) [0.2264, 0.4035, 0.712]\n", + " PeriodicSite: Li (5.019, 18.37, 2.85) [0.2471, 0.9043, 0.1403]\n", + " PeriodicSite: Li (2.144, 15.61, 13.99) [0.1056, 0.7687, 0.6887]\n", + " PeriodicSite: Li (13.38, 11.81, 5.122) [0.6588, 0.5812, 0.2522]\n", + " PeriodicSite: Li (14.44, 6.055, 12.72) [0.7108, 0.2981, 0.6262]\n", + " PeriodicSite: Li (14.93, 17.22, 2.002) [0.735, 0.8475, 0.09857]\n", + " PeriodicSite: Li (15.2, 2.17, 14.13) [0.7485, 0.1068, 0.6955]\n", + " PeriodicSite: Li (9.729, 3.448, 3.368) [0.479, 0.1698, 0.1658]\n", + " PeriodicSite: Li (9.895, 3.12, 13.24) [0.4871, 0.1536, 0.6516]\n", + " PeriodicSite: Li (5.806, 10.89, 2.774) [0.2858, 0.5361, 0.1366]\n", + " PeriodicSite: Li (4.44, 11.86, 13.93) [0.2186, 0.5838, 0.686]\n", + " PeriodicSite: Li (17.12, 1.535, 4.932) [0.843, 0.07555, 0.2428]\n", + " PeriodicSite: Li (12.83, 4.203, 9.734) [0.6315, 0.2069, 0.4792]\n", + " PeriodicSite: Li (18.42, 12.78, 0.03165) [0.9067, 0.6291, 0.001564]\n", + " PeriodicSite: Li (17.64, 9.694, 13.48) [0.8686, 0.4772, 0.6634]\n", + " PeriodicSite: Li (6.065, 17.99, 5.753) [0.2986, 0.8854, 0.2832]\n", + " PeriodicSite: Li (7.059, 2.557, 14.89) [0.3475, 0.1259, 0.7331]\n", + " PeriodicSite: Li (8.78, 12.05, 19.79) [0.4323, 0.5931, 0.9744]\n", + " PeriodicSite: Li (10.17, 13.4, 13.33) [0.5007, 0.6596, 0.6561]\n", + " PeriodicSite: Li (15.8, 0.7748, 2.867) [0.778, 0.03814, 0.1411]\n", + " PeriodicSite: Li (18.95, 2.343, 10.47) [0.9329, 0.1153, 0.5153]\n", + " PeriodicSite: Li (18.05, 14.58, 4.599) [0.8886, 0.7177, 0.2264]\n", + " PeriodicSite: Li (16.94, 14.97, 12.72) [0.8341, 0.7369, 0.626]\n", + " PeriodicSite: Li (8.328, 5.188, 6.068) [0.41, 0.2554, 0.2987]\n", + " PeriodicSite: Li (8.196, 0.4327, 12.11) [0.4035, 0.0213, 0.596]\n", + " PeriodicSite: Li (9.585, 12.93, 3.804) [0.4719, 0.6363, 0.1873]\n", + " PeriodicSite: Li (5.841, 14.86, 12.45) [0.2875, 0.7316, 0.6128]\n", + " PeriodicSite: Li (19.94, 2.443, 1.622) [0.9815, 0.1203, 0.07984]\n", + " PeriodicSite: Li (18.19, 5.382, 12.9) [0.8956, 0.265, 0.6351]\n", + " PeriodicSite: Li (16.43, 14.42, 1.76) [0.8088, 0.7101, 0.08664]\n", + " PeriodicSite: Li (15.47, 12.09, 13.26) [0.7616, 0.5954, 0.6527]\n", + " PeriodicSite: Li (2.756, 18.92, 4.608) [0.1357, 0.9313, 0.2269]\n", + " PeriodicSite: Li (5.416, 0.6088, 13.14) [0.2666, 0.02997, 0.6471]\n", + " PeriodicSite: Li (5.386, 13.16, 0.6473) [0.2652, 0.6479, 0.03187]\n", + " PeriodicSite: Li (7.978, 7.554, 15.51) [0.3927, 0.3719, 0.7636]\n", + " PeriodicSite: Li (18.19, 4.339, 3.925) [0.8956, 0.2136, 0.1932]\n", + " PeriodicSite: Li (16.78, 0.07186, 13.54) [0.8259, 0.003531, 0.6666]\n", + " PeriodicSite: Li (15.42, 14.8, 18.54) [0.759, 0.7289, 0.9127]\n", + " PeriodicSite: Li (19.45, 12.02, 11.28) [0.9578, 0.5916, 0.5556]\n", + " PeriodicSite: Li (6.722, 3.229, 0.007545) [0.3309, 0.159, 0.0003735]\n", + " PeriodicSite: Li (5.125, 2.898, 10.79) [0.2523, 0.1427, 0.5311]\n", + " PeriodicSite: Li (8.361, 10.11, 2.285) [0.4116, 0.4976, 0.1125]\n", + " PeriodicSite: Li (7.84, 11.44, 10.73) [0.386, 0.5632, 0.5283]\n", + " PeriodicSite: Li (15.65, 3.793, 2.081) [0.7704, 0.1867, 0.1024]\n", + " PeriodicSite: Li (15.54, 3.459, 11.6) [0.7649, 0.1703, 0.5711]\n", + " PeriodicSite: Li (0.718, 10.85, 18.12) [0.03535, 0.534, 0.8921]\n", + " PeriodicSite: Li (20.08, 13.19, 13.85) [0.9887, 0.6495, 0.6818]\n", + " PeriodicSite: Li (8.371, 0.3091, 1.702) [0.4121, 0.01521, 0.08379]\n", + " PeriodicSite: Li (8.604, 2.264, 10.27) [0.4236, 0.1115, 0.5057]\n", + " PeriodicSite: Li (7.165, 12.21, 4.616) [0.3527, 0.6012, 0.2273]\n", + " PeriodicSite: Li (5.126, 17.9, 13.02) [0.2524, 0.8812, 0.6408]\n", + " PeriodicSite: Li (17.35, 3.142, 0.3847) [0.8539, 0.1547, 0.01894]\n", + " PeriodicSite: Li (1.97, 6.415, 14.98) [0.09698, 0.3158, 0.7373]\n", + " PeriodicSite: Li (2.532, 15.24, 8.275) [0.1247, 0.7501, 0.4074]\n", + " PeriodicSite: Li (16.21, 12.87, 10.63) [0.7982, 0.6335, 0.5236]\n", + " PeriodicSite: Li (13.89, 8.756, 4.925) [0.6837, 0.431, 0.2425]\n", + " PeriodicSite: Li (5.484, 8.139, 17.33) [0.27, 0.4007, 0.853]\n", + " PeriodicSite: Li (7.183, 15.93, 9.265) [0.3536, 0.7842, 0.4561]\n", + " PeriodicSite: Li (6.19, 14.96, 18.77) [0.3047, 0.7365, 0.9243]\n", + " PeriodicSite: Li (18.05, 10.2, 7.433) [0.8885, 0.5023, 0.3659]\n", + " PeriodicSite: Li (1.949, 4.948, 17.99) [0.09595, 0.2436, 0.8856]\n", + " PeriodicSite: Li (17.59, 17.83, 5.598) [0.8661, 0.8776, 0.2756]\n", + " PeriodicSite: Li (19.57, 18.58, 17.69) [0.9633, 0.9146, 0.871]\n", + " PeriodicSite: Li (7.396, 9.333, 5.946) [0.3641, 0.4595, 0.2927]\n", + " PeriodicSite: Li (9.136, 5.592, 17.5) [0.4498, 0.2753, 0.8617]\n", + " PeriodicSite: Li (7.516, 19.74, 8.468) [0.37, 0.9719, 0.4169]\n", + " PeriodicSite: Li (6.794, 18.7, 15.6) [0.3345, 0.9208, 0.768]\n", + " PeriodicSite: Li (18.37, 8.367, 10.02) [0.9043, 0.4119, 0.4935]\n", + " PeriodicSite: Li (18.7, 3.133, 15.65) [0.9207, 0.1542, 0.7707]\n", + " PeriodicSite: Li (17.67, 20.23, 8.399) [0.8699, 0.9959, 0.4135]\n", + " PeriodicSite: Li (18.4, 15.43, 16.81) [0.9057, 0.7595, 0.8275]\n", + " PeriodicSite: Li (7.093, 5.267, 9.257) [0.3492, 0.2593, 0.4558]\n", + " PeriodicSite: Li (6.455, 5.402, 18.18) [0.3178, 0.266, 0.895]\n", + " PeriodicSite: Li (9.679, 17.64, 9.351) [0.4765, 0.8685, 0.4604]\n", + " PeriodicSite: Li (12.48, 13.95, 15.84) [0.6145, 0.687, 0.78]\n", + " PeriodicSite: Li (20.08, 8.07, 7.67) [0.9885, 0.3973, 0.3776]\n", + " PeriodicSite: Li (19.85, 7.216, 17.43) [0.9771, 0.3553, 0.8581]\n", + " PeriodicSite: Li (16.46, 17.39, 10.28) [0.8101, 0.8559, 0.5063]\n", + " PeriodicSite: Li (17.14, 16.92, 20.22) [0.8438, 0.8329, 0.9953]\n", + " PeriodicSite: Li (8.487, 8.012, 9.01) [0.4178, 0.3944, 0.4436]\n", + " PeriodicSite: Li (7.062, 6.699, 0.2008) [0.3477, 0.3298, 0.009889]\n", + " PeriodicSite: Li (4.916, 17.35, 8.27) [0.242, 0.854, 0.4071]\n", + " PeriodicSite: Li (7.035, 14.9, 2.349) [0.3463, 0.7337, 0.1156]\n", + " PeriodicSite: Li (15.3, 7.025, 7.711) [0.7532, 0.3458, 0.3796]\n", + " PeriodicSite: Li (17.82, 9.884, 18.88) [0.8774, 0.4866, 0.9295]\n", + " PeriodicSite: Li (15.43, 18.75, 7.009) [0.7596, 0.9233, 0.345]\n", + " PeriodicSite: Li (15.82, 18.1, 16.73) [0.779, 0.8908, 0.8237]\n", + " PeriodicSite: Li (6.374, 4.893, 12.39) [0.3138, 0.2409, 0.6097]\n", + " PeriodicSite: Li (7.228, 10.26, 17.14) [0.3559, 0.5051, 0.8438]\n", + " PeriodicSite: Li (9.11, 18.08, 6.229) [0.4485, 0.8901, 0.3066]\n", + " PeriodicSite: Li (10.45, 17.84, 2.506) [0.5144, 0.8785, 0.1234]\n", + " PeriodicSite: Li (16.71, 8.38, 5.081) [0.8227, 0.4126, 0.2502]\n", + " PeriodicSite: Li (16.61, 5.886, 18.48) [0.8178, 0.2898, 0.91]\n", + " PeriodicSite: Li (19.71, 18.51, 8.276) [0.9704, 0.9111, 0.4074]\n", + " PeriodicSite: Li (18.37, 0.08785, 1.922) [0.9042, 0.004317, 0.09464]\n", + " PeriodicSite: Li (3.149, 10.06, 3.076) [0.155, 0.4951, 0.1514]\n", + " PeriodicSite: Li (9.767, 7.921, 19.15) [0.4809, 0.39, 0.9425]\n", + " PeriodicSite: Li (7.886, 15.39, 6.043) [0.3882, 0.7576, 0.2975]\n", + " PeriodicSite: Li (6.47, 0.5473, 17.0) [0.3185, 0.02694, 0.8367]\n", + " PeriodicSite: Li (18.07, 5.649, 6.41) [0.8898, 0.2781, 0.3156]\n", + " PeriodicSite: Li (17.44, 11.89, 14.9) [0.8587, 0.5855, 0.7336]\n", + " PeriodicSite: Li (20.26, 13.07, 2.855) [0.9973, 0.6435, 0.1406]\n", + " PeriodicSite: Li (12.83, 19.7, 14.6) [0.6316, 0.97, 0.7187]\n", + " PeriodicSite: Cl (7.116, 12.63, 13.2) [0.3503, 0.6219, 0.65]\n", + " PeriodicSite: Cl (2.321, 12.81, 17.67) [0.1142, 0.6306, 0.87]\n", + " PeriodicSite: Cl (12.72, 17.69, 13.0) [0.6265, 0.8708, 0.64]\n", + " PeriodicSite: Cl (17.69, 7.811, 17.58) [0.8709, 0.3845, 0.8654]\n", + " PeriodicSite: Cl (7.558, 2.349, 2.314) [0.3721, 0.1157, 0.1139]\n", + " PeriodicSite: Cl (7.195, 7.13, 7.459) [0.3542, 0.351, 0.3672]\n", + " PeriodicSite: Cl (12.56, 12.87, 7.833) [0.6184, 0.6337, 0.3857]\n", + " PeriodicSite: Cl (2.974, 7.664, 2.622) [0.1464, 0.3773, 0.1291]\n", + " PeriodicSite: Cl (3.282, 7.361, 12.56) [0.1616, 0.3624, 0.6184]\n", + " PeriodicSite: Cl (13.1, 12.79, 17.76) [0.6451, 0.6299, 0.8745]\n", + " PeriodicSite: Cl (17.69, 17.32, 17.84) [0.8708, 0.8528, 0.8785]\n", + " PeriodicSite: Cl (2.604, 2.614, 7.156) [0.1282, 0.1287, 0.3523]\n", + " PeriodicSite: Cl (12.51, 2.314, 18.15) [0.6156, 0.1139, 0.8935]\n", + " PeriodicSite: Cl (12.6, 7.718, 2.602) [0.6203, 0.38, 0.1281]\n", + " PeriodicSite: Cl (17.48, 3.034, 13.52) [0.8603, 0.1494, 0.6655]\n", + " PeriodicSite: Cl (7.515, 17.89, 17.75) [0.37, 0.881, 0.874]\n", + " PeriodicSite: Cl (20.27, 0.5057, 0.6049) [0.998, 0.02489, 0.02978]\n", + " PeriodicSite: Cl (19.96, 20.09, 10.07) [0.9826, 0.9889, 0.4958]\n", + " PeriodicSite: Cl (19.71, 10.71, 0.1059) [0.9705, 0.5272, 0.005218]\n", + " PeriodicSite: Cl (19.92, 10.14, 9.51) [0.9809, 0.4991, 0.4682]\n", + " PeriodicSite: Cl (10.11, 0.09368, 0.08597) [0.4979, 0.004607, 0.004235]\n", + " PeriodicSite: Cl (9.381, 0.05681, 10.11) [0.4618, 0.002793, 0.4975]\n", + " PeriodicSite: Cl (9.743, 9.978, 19.5) [0.4796, 0.4912, 0.9598]\n", + " PeriodicSite: Cl (9.767, 10.11, 9.823) [0.4808, 0.498, 0.4836]\n", + " PeriodicSite: Cl (20.15, 4.922, 5.275) [0.9919, 0.2423, 0.2597]\n", + " PeriodicSite: Cl (0.1797, 5.19, 15.93) [0.00885, 0.2555, 0.7844]\n", + " PeriodicSite: Cl (0.1771, 14.72, 4.903) [0.008714, 0.7245, 0.2414]\n", + " PeriodicSite: Cl (20.19, 15.36, 15.15) [0.9938, 0.7562, 0.746]\n", + " PeriodicSite: Cl (10.35, 4.985, 4.83) [0.5098, 0.2454, 0.2378]\n", + " PeriodicSite: Cl (10.15, 5.083, 14.58) [0.4995, 0.2503, 0.7178]\n", + " PeriodicSite: Cl (10.07, 15.04, 4.92) [0.4959, 0.7403, 0.2422]\n", + " PeriodicSite: Cl (10.25, 15.0, 14.96) [0.5047, 0.7385, 0.7367]\n", + " PeriodicSite: S (5.204, 20.01, 4.969) [0.2562, 0.9849, 0.2446]\n", + " PeriodicSite: S (5.083, 20.13, 15.23) [0.2502, 0.991, 0.7495]\n", + " PeriodicSite: S (5.277, 9.954, 4.71) [0.2598, 0.4901, 0.2319]\n", + " PeriodicSite: S (5.68, 10.14, 15.6) [0.2796, 0.4994, 0.7682]\n", + " PeriodicSite: S (15.09, 0.1051, 5.312) [0.743, 0.005169, 0.2615]\n", + " PeriodicSite: S (15.11, 0.2453, 15.26) [0.7437, 0.01207, 0.7514]\n", + " PeriodicSite: S (15.49, 10.47, 5.024) [0.7626, 0.5154, 0.2473]\n", + " PeriodicSite: S (15.52, 10.25, 14.96) [0.7643, 0.5046, 0.7363]\n", + " PeriodicSite: S (5.253, 5.062, 20.13) [0.2586, 0.2492, 0.9912]\n", + " PeriodicSite: S (4.73, 5.052, 9.976) [0.2329, 0.2487, 0.4911]\n", + " PeriodicSite: S (4.855, 15.4, 0.2443) [0.239, 0.7582, 0.01203]\n", + " PeriodicSite: S (4.594, 15.38, 9.996) [0.2262, 0.7574, 0.4921]\n", + " PeriodicSite: S (15.4, 4.733, 0.0743) [0.7581, 0.233, 0.003662]\n", + " PeriodicSite: S (15.03, 5.306, 10.12) [0.7397, 0.2612, 0.4981]\n", + " PeriodicSite: S (14.76, 15.48, 0.2398) [0.7267, 0.7619, 0.01181]\n", + " PeriodicSite: S (15.22, 15.21, 10.49) [0.7491, 0.7488, 0.5165]\n", + " PeriodicSite: S (8.95, 4.074, 8.429) [0.4406, 0.2006, 0.415]\n", + " PeriodicSite: S (9.343, 4.008, 19.21) [0.46, 0.1973, 0.946]\n", + " PeriodicSite: S (9.215, 13.81, 8.466) [0.4537, 0.68, 0.4168]\n", + " PeriodicSite: S (8.584, 14.35, 19.0) [0.4226, 0.7066, 0.9355]\n", + " PeriodicSite: S (19.09, 4.188, 8.741) [0.9396, 0.2062, 0.4303]\n", + " PeriodicSite: S (18.92, 4.492, 19.54) [0.9313, 0.2212, 0.9621]\n", + " PeriodicSite: S (18.8, 13.88, 9.286) [0.9257, 0.6835, 0.4572]\n", + " PeriodicSite: S (19.31, 14.27, 18.84) [0.9505, 0.7027, 0.9274]\n", + " PeriodicSite: S (3.91, 1.093, 1.263) [0.1925, 0.05379, 0.06216]\n", + " PeriodicSite: S (3.326, 1.157, 11.16) [0.1638, 0.05694, 0.5496]\n", + " PeriodicSite: S (3.963, 11.37, 1.152) [0.1951, 0.5596, 0.05673]\n", + " PeriodicSite: S (3.899, 11.11, 11.26) [0.1919, 0.5468, 0.5544]\n", + " PeriodicSite: S (14.42, 1.106, 0.9558) [0.71, 0.05445, 0.04706]\n", + " PeriodicSite: S (13.98, 1.463, 11.81) [0.6881, 0.07201, 0.5812]\n", + " PeriodicSite: S (14.07, 11.21, 1.324) [0.6926, 0.5517, 0.06519]\n", + " PeriodicSite: S (13.97, 11.01, 11.4) [0.6877, 0.5419, 0.5613]\n", + " PeriodicSite: S (5.592, 1.106, 8.661) [0.2753, 0.05446, 0.4264]\n", + " PeriodicSite: S (5.899, 1.126, 19.13) [0.2904, 0.05541, 0.9417]\n", + " PeriodicSite: S (6.153, 11.34, 8.961) [0.3029, 0.5582, 0.4412]\n", + " PeriodicSite: S (6.118, 11.61, 18.92) [0.3012, 0.5715, 0.9316]\n", + " PeriodicSite: S (16.38, 1.633, 9.384) [0.8066, 0.0804, 0.462]\n", + " PeriodicSite: S (16.86, 1.256, 19.07) [0.8303, 0.06185, 0.939]\n", + " PeriodicSite: S (16.49, 11.27, 9.036) [0.812, 0.5549, 0.4448]\n", + " PeriodicSite: S (16.28, 11.75, 19.24) [0.8015, 0.5786, 0.9472]\n", + " PeriodicSite: S (1.376, 4.027, 1.013) [0.06776, 0.1983, 0.04985]\n", + " PeriodicSite: S (0.6519, 3.68, 11.31) [0.03209, 0.1812, 0.5567]\n", + " PeriodicSite: S (1.182, 14.13, 1.079) [0.05816, 0.6958, 0.0531]\n", + " PeriodicSite: S (0.795, 13.71, 11.58) [0.03914, 0.6752, 0.5699]\n", + " PeriodicSite: S (11.54, 3.833, 1.306) [0.5681, 0.1887, 0.06428]\n", + " PeriodicSite: S (10.77, 3.592, 11.09) [0.53, 0.1768, 0.5461]\n", + " PeriodicSite: S (11.03, 14.01, 0.7914) [0.5428, 0.6896, 0.03897]\n", + " PeriodicSite: S (11.42, 14.05, 11.17) [0.5623, 0.6915, 0.5497]\n", + " PeriodicSite: S (2.245, 2.552, 18.09) [0.1106, 0.1256, 0.8904]\n", + " PeriodicSite: S (2.623, 12.78, 7.876) [0.1291, 0.6292, 0.3878]\n", + " PeriodicSite: S (12.7, 2.823, 7.809) [0.6253, 0.139, 0.3845]\n", + " PeriodicSite: S (9.267, 8.82, 4.208) [0.4562, 0.4342, 0.2072]\n", + " PeriodicSite: S (9.097, 9.227, 13.77) [0.4478, 0.4542, 0.6781]\n", + " PeriodicSite: S (9.026, 19.45, 3.621) [0.4444, 0.9577, 0.1783]\n", + " PeriodicSite: S (8.956, 19.14, 14.04) [0.4409, 0.9422, 0.6912]\n", + " PeriodicSite: S (19.12, 8.86, 3.938) [0.9411, 0.4362, 0.1939]\n", + " PeriodicSite: S (19.75, 8.573, 13.68) [0.9724, 0.422, 0.6734]\n", + " PeriodicSite: S (18.96, 19.26, 4.032) [0.9336, 0.9483, 0.1985]\n", + " PeriodicSite: S (19.33, 19.59, 13.65) [0.9516, 0.9647, 0.6721]\n", + " PeriodicSite: S (3.615, 5.922, 5.637) [0.178, 0.2916, 0.2775]\n", + " PeriodicSite: S (4.05, 6.238, 16.96) [0.1994, 0.3071, 0.8347]\n", + " PeriodicSite: S (3.724, 16.3, 6.168) [0.1834, 0.8024, 0.3036]\n", + " PeriodicSite: S (3.327, 16.32, 16.44) [0.1638, 0.8034, 0.8094]\n", + " PeriodicSite: S (13.87, 6.445, 5.917) [0.6829, 0.3173, 0.2913]\n", + " PeriodicSite: S (13.94, 6.411, 16.56) [0.6863, 0.3156, 0.8153]\n", + " PeriodicSite: S (13.89, 16.56, 6.318) [0.6837, 0.8155, 0.311]\n", + " PeriodicSite: S (14.01, 15.71, 16.82) [0.6898, 0.7735, 0.828]\n", + " PeriodicSite: S (6.41, 5.751, 3.924) [0.3156, 0.2831, 0.1932]\n", + " PeriodicSite: S (6.187, 6.361, 14.46) [0.3046, 0.3132, 0.7118]\n", + " PeriodicSite: S (6.567, 15.99, 4.235) [0.3233, 0.787, 0.2085]\n", + " PeriodicSite: S (6.373, 16.25, 14.54) [0.3137, 0.7998, 0.7159]\n", + " PeriodicSite: S (16.61, 6.123, 3.974) [0.8177, 0.3014, 0.1956]\n", + " PeriodicSite: S (16.47, 6.564, 14.36) [0.811, 0.3231, 0.707]\n", + " PeriodicSite: S (16.38, 16.52, 3.988) [0.8066, 0.8134, 0.1963]\n", + " PeriodicSite: S (16.44, 16.8, 14.65) [0.8096, 0.827, 0.7211]\n", + " PeriodicSite: S (1.535, 9.104, 6.081) [0.07558, 0.4482, 0.2994]\n", + " PeriodicSite: S (1.607, 9.006, 16.44) [0.07913, 0.4434, 0.8093]\n", + " PeriodicSite: S (1.195, 19.18, 6.537) [0.05884, 0.9442, 0.3218]\n", + " PeriodicSite: S (0.9744, 18.99, 16.29) [0.04797, 0.9349, 0.802]\n", + " PeriodicSite: S (12.0, 9.562, 6.077) [0.5909, 0.4707, 0.2992]\n", + " PeriodicSite: S (11.43, 8.977, 16.21) [0.5627, 0.442, 0.7983]\n", + " PeriodicSite: S (11.34, 19.38, 6.056) [0.5585, 0.9542, 0.2981]\n", + " PeriodicSite: S (11.1, 19.22, 16.34) [0.5466, 0.9464, 0.8042]\n", + " PeriodicSite: S (2.375, 17.64, 2.844) [0.1169, 0.8684, 0.14]\n", + " PeriodicSite: S (2.537, 17.91, 12.99) [0.1249, 0.8818, 0.6393]\n", + " PeriodicSite: S (12.75, 7.489, 12.75) [0.6277, 0.3687, 0.6276]\n", + " PeriodicSite: S (12.62, 17.91, 2.425) [0.6214, 0.8815, 0.1194]\n", + " PeriodicSite: S (4.06, 3.414, 3.872) [0.1999, 0.1681, 0.1906]\n", + " PeriodicSite: S (3.546, 4.02, 14.28) [0.1746, 0.1979, 0.7031]\n", + " PeriodicSite: S (3.951, 13.9, 3.835) [0.1945, 0.6842, 0.1888]\n", + " PeriodicSite: S (3.852, 14.31, 13.92) [0.1896, 0.7043, 0.6855]\n", + " PeriodicSite: S (13.91, 3.709, 3.973) [0.6849, 0.1826, 0.1956]\n", + " PeriodicSite: S (14.11, 4.216, 14.03) [0.6947, 0.2076, 0.6908]\n", + " PeriodicSite: S (14.13, 14.07, 4.067) [0.6954, 0.6924, 0.2002]\n", + " PeriodicSite: S (14.54, 14.01, 14.06) [0.716, 0.6899, 0.6922]\n", + " PeriodicSite: S (8.689, 1.097, 6.209) [0.4278, 0.05402, 0.3057]\n", + " PeriodicSite: S (8.666, 1.327, 16.24) [0.4266, 0.06535, 0.7993]\n", + " PeriodicSite: S (9.319, 11.61, 5.997) [0.4588, 0.5716, 0.2953]\n", + " PeriodicSite: S (9.425, 11.58, 16.36) [0.464, 0.5702, 0.8052]\n", + " PeriodicSite: S (18.93, 1.028, 6.671) [0.9317, 0.05062, 0.3284]\n", + " PeriodicSite: S (19.21, 1.138, 16.64) [0.9459, 0.056, 0.8194]\n", + " PeriodicSite: S (19.45, 11.56, 6.084) [0.9574, 0.5691, 0.2995]\n", + " PeriodicSite: S (19.29, 10.91, 16.35) [0.9497, 0.5369, 0.8047]\n", + " PeriodicSite: S (0.97, 1.285, 4.267) [0.04775, 0.06325, 0.2101]\n", + " PeriodicSite: S (1.49, 1.431, 14.64) [0.07336, 0.07047, 0.7206]\n", + " PeriodicSite: S (1.031, 11.3, 3.484) [0.05076, 0.5564, 0.1715]\n", + " PeriodicSite: S (1.357, 11.16, 13.9) [0.06681, 0.5492, 0.6846]\n", + " PeriodicSite: S (11.17, 1.689, 4.142) [0.5499, 0.08312, 0.2039]\n", + " PeriodicSite: S (11.32, 1.334, 13.99) [0.5572, 0.06568, 0.6886]\n", + " PeriodicSite: S (11.45, 11.54, 3.454) [0.5639, 0.5682, 0.17]\n", + " PeriodicSite: S (11.6, 11.6, 13.99) [0.571, 0.571, 0.6887]\n", + " PeriodicSite: S (6.127, 3.786, 6.617) [0.3016, 0.1864, 0.3258]\n", + " PeriodicSite: S (5.815, 3.438, 16.64) [0.2863, 0.1692, 0.8192]\n", + " PeriodicSite: S (5.98, 13.69, 6.623) [0.2944, 0.6738, 0.326]\n", + " PeriodicSite: S (5.816, 13.93, 16.78) [0.2863, 0.686, 0.8261]\n", + " PeriodicSite: S (16.42, 3.914, 6.168) [0.8085, 0.1927, 0.3037]\n", + " PeriodicSite: S (15.95, 3.927, 16.8) [0.785, 0.1933, 0.8269]\n", + " PeriodicSite: S (16.31, 14.21, 6.544) [0.803, 0.6998, 0.3222]\n", + " PeriodicSite: S (16.72, 13.91, 16.53) [0.8231, 0.6846, 0.8139]\n", + " PeriodicSite: S (7.347, 2.527, 12.37) [0.3617, 0.1244, 0.6092]\n", + " PeriodicSite: S (7.561, 12.53, 2.319) [0.3722, 0.617, 0.1142]\n", + " PeriodicSite: S (17.6, 2.477, 2.574) [0.8667, 0.1219, 0.1267]\n", + " PeriodicSite: S (17.78, 12.92, 2.616) [0.8755, 0.636, 0.1288]\n", + " PeriodicSite: S (17.74, 12.4, 12.74) [0.8733, 0.6106, 0.627]\n", + " PeriodicSite: S (3.798, 8.865, 8.796) [0.187, 0.4364, 0.4331]\n", + " PeriodicSite: S (4.068, 9.104, 19.25) [0.2003, 0.4482, 0.9476]\n", + " PeriodicSite: S (3.415, 18.93, 9.139) [0.1681, 0.932, 0.4499]\n", + " PeriodicSite: S (3.795, 18.81, 19.52) [0.1868, 0.9259, 0.9609]\n", + " PeriodicSite: S (14.03, 9.045, 9.011) [0.6907, 0.4453, 0.4436]\n", + " PeriodicSite: S (14.14, 9.303, 18.89) [0.696, 0.458, 0.9301]\n", + " PeriodicSite: S (13.9, 19.8, 9.039) [0.6845, 0.9745, 0.445]\n", + " PeriodicSite: S (14.59, 19.13, 18.76) [0.7184, 0.9418, 0.9236]\n", + " PeriodicSite: S (9.002, 6.317, 1.411) [0.4432, 0.311, 0.06948]\n", + " PeriodicSite: S (8.582, 6.09, 11.03) [0.4225, 0.2998, 0.5431]\n", + " PeriodicSite: S (8.938, 16.52, 1.266) [0.44, 0.8133, 0.06231]\n", + " PeriodicSite: S (8.994, 16.2, 10.83) [0.4428, 0.7976, 0.5334]\n", + " PeriodicSite: S (19.35, 6.303, 2.262) [0.9528, 0.3103, 0.1114]\n", + " PeriodicSite: S (19.2, 6.476, 11.05) [0.9451, 0.3188, 0.544]\n", + " PeriodicSite: S (19.03, 16.33, 1.212) [0.9368, 0.8041, 0.05967]\n", + " PeriodicSite: S (18.85, 16.4, 11.44) [0.9278, 0.8075, 0.5631]\n", + " PeriodicSite: S (1.305, 6.237, 8.991) [0.06424, 0.307, 0.4426]\n", + " PeriodicSite: S (0.9218, 6.766, 19.65) [0.04538, 0.3331, 0.9675]\n", + " PeriodicSite: S (0.7811, 16.49, 9.305) [0.03845, 0.812, 0.4581]\n", + " PeriodicSite: S (1.222, 16.7, 19.21) [0.06016, 0.8219, 0.9456]\n", + " PeriodicSite: S (11.26, 6.319, 9.03) [0.5541, 0.3111, 0.4446]\n", + " PeriodicSite: S (11.47, 6.39, 19.28) [0.5649, 0.3146, 0.9493]\n", + " PeriodicSite: S (11.44, 16.35, 8.925) [0.563, 0.8049, 0.4394]\n", + " PeriodicSite: S (10.93, 16.74, 18.97) [0.5383, 0.8243, 0.9339]\n", + " PeriodicSite: S (6.532, 8.93, 1.052) [0.3216, 0.4396, 0.05178]\n", + " PeriodicSite: S (6.488, 8.833, 11.06) [0.3194, 0.4349, 0.5443]\n", + " PeriodicSite: S (6.508, 19.09, 1.213) [0.3204, 0.9396, 0.05972]\n", + " PeriodicSite: S (6.161, 19.19, 10.88) [0.3033, 0.9449, 0.5357]\n", + " PeriodicSite: S (16.53, 9.216, 1.174) [0.8137, 0.4537, 0.0578]\n", + " PeriodicSite: S (16.61, 8.96, 11.53) [0.8178, 0.4411, 0.5676]\n", + " PeriodicSite: S (16.5, 19.03, 1.054) [0.8123, 0.9367, 0.05188]\n", + " PeriodicSite: S (16.18, 19.39, 11.43) [0.7966, 0.9544, 0.5628]\n", + " PeriodicSite: S (7.719, 7.375, 17.74) [0.38, 0.3631, 0.8736]\n", + " PeriodicSite: S (7.267, 17.5, 7.558) [0.3578, 0.8614, 0.3721]\n", + " PeriodicSite: S (17.54, 7.841, 7.767) [0.8636, 0.386, 0.3824]\n", + " PeriodicSite: S (17.39, 17.89, 7.915) [0.8563, 0.8806, 0.3897]\n", + " PeriodicSite: P (5.048, 20.18, 0.07468) [0.2485, 0.9934, 0.00368]\n", + " PeriodicSite: P (4.718, 20.19, 9.989) [0.2323, 0.9941, 0.4918]\n", + " PeriodicSite: P (5.367, 10.32, 20.24) [0.2642, 0.5082, 0.9965]\n", + " PeriodicSite: P (5.073, 10.02, 10.02) [0.2498, 0.4931, 0.4932]\n", + " PeriodicSite: P (15.54, 20.27, 20.12) [0.7652, 0.9981, 0.9907]\n", + " PeriodicSite: P (15.13, 0.4613, 10.42) [0.7448, 0.0227, 0.5129]\n", + " PeriodicSite: P (15.15, 10.3, 20.22) [0.7458, 0.5072, 0.9954]\n", + " PeriodicSite: P (15.39, 10.01, 10.18) [0.7577, 0.4929, 0.5012]\n", + " PeriodicSite: P (5.094, 4.677, 5.07) [0.2508, 0.2303, 0.2496]\n", + " PeriodicSite: P (4.899, 4.973, 15.55) [0.2412, 0.2448, 0.7653]\n", + " PeriodicSite: P (5.023, 14.97, 5.142) [0.2473, 0.7371, 0.2531]\n", + " PeriodicSite: P (4.894, 15.28, 15.57) [0.2409, 0.7524, 0.7667]\n", + " PeriodicSite: P (15.15, 4.99, 4.941) [0.7457, 0.2457, 0.2432]\n", + " PeriodicSite: P (15.22, 5.248, 15.34) [0.7493, 0.2583, 0.7553]\n", + " PeriodicSite: P (15.23, 15.27, 5.295) [0.7495, 0.7518, 0.2607]\n", + " PeriodicSite: P (15.38, 15.21, 15.43) [0.7573, 0.7488, 0.7598]\n", + " PeriodicSite: P (20.28, 20.31, 5.316) [0.9985, 1.0, 0.2617]\n", + " PeriodicSite: P (20.27, 0.1017, 15.22) [0.998, 0.004998, 0.7495]\n", + " PeriodicSite: P (0.13, 10.19, 4.946) [0.006397, 0.5014, 0.2435]\n", + " PeriodicSite: P (0.3391, 9.874, 15.08) [0.0167, 0.4861, 0.7425]\n", + " PeriodicSite: P (10.06, 0.2003, 5.026) [0.4953, 0.009859, 0.2474]\n", + " PeriodicSite: P (10.0, 0.253, 15.21) [0.4924, 0.01245, 0.7486]\n", + " PeriodicSite: P (10.51, 10.37, 4.911) [0.5176, 0.5107, 0.2418]\n", + " PeriodicSite: P (10.31, 10.16, 15.11) [0.5075, 0.5002, 0.744]\n", + " PeriodicSite: P (20.21, 5.394, 0.556) [0.9951, 0.2656, 0.02738]\n", + " PeriodicSite: P (0.1198, 5.075, 10.05) [0.005899, 0.2499, 0.4949]\n", + " PeriodicSite: P (0.1362, 15.39, 20.21) [0.006704, 0.7574, 0.9951]\n", + " PeriodicSite: P (20.03, 15.14, 10.37) [0.9859, 0.7454, 0.5108]\n", + " PeriodicSite: P (10.3, 5.205, 0.2565) [0.5072, 0.2563, 0.01263]\n", + " PeriodicSite: P (9.931, 5.078, 9.914) [0.4889, 0.25, 0.4881]\n", + " PeriodicSite: P (9.912, 15.4, 20.23) [0.488, 0.7584, 0.9961]\n", + " PeriodicSite: P (10.21, 14.96, 9.866) [0.5025, 0.7364, 0.4857],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.376, 3.277, 5.038) [0.117, 0.1613, 0.248]\n", + " PeriodicSite: Li (1.569, 3.469, 15.65) [0.07725, 0.1708, 0.7703]\n", + " PeriodicSite: Li (2.813, 13.23, 10.28) [0.1385, 0.6513, 0.5061]\n", + " PeriodicSite: Li (2.012, 15.03, 17.48) [0.09903, 0.74, 0.8604]\n", + " PeriodicSite: Li (14.67, 1.227, 7.452) [0.7224, 0.06041, 0.3669]\n", + " PeriodicSite: Li (11.76, 3.557, 15.4) [0.5789, 0.1751, 0.7583]\n", + " PeriodicSite: Li (16.68, 12.2, 5.092) [0.821, 0.6004, 0.2507]\n", + " PeriodicSite: Li (16.47, 8.569, 16.7) [0.8111, 0.4219, 0.8221]\n", + " PeriodicSite: Li (3.93, 4.568, 8.316) [0.1935, 0.2249, 0.4094]\n", + " PeriodicSite: Li (2.696, 0.3321, 17.46) [0.1327, 0.01635, 0.8597]\n", + " PeriodicSite: Li (5.024, 8.123, 6.705) [0.2473, 0.3999, 0.3301]\n", + " PeriodicSite: Li (6.949, 9.768, 13.38) [0.3421, 0.4809, 0.6589]\n", + " PeriodicSite: Li (12.55, 4.443, 5.831) [0.6177, 0.2187, 0.2871]\n", + " PeriodicSite: Li (13.54, 5.265, 18.97) [0.6665, 0.2592, 0.934]\n", + " PeriodicSite: Li (11.86, 10.25, 12.04) [0.5837, 0.5045, 0.5927]\n", + " PeriodicSite: Li (9.292, 18.85, 19.15) [0.4574, 0.9282, 0.9429]\n", + " PeriodicSite: Li (3.332, 0.1289, 6.551) [0.164, 0.006346, 0.3225]\n", + " PeriodicSite: Li (4.416, 2.279, 16.03) [0.2174, 0.1122, 0.7891]\n", + " PeriodicSite: Li (4.335, 10.87, 7.201) [0.2134, 0.5349, 0.3545]\n", + " PeriodicSite: Li (6.593, 11.91, 14.82) [0.3246, 0.5862, 0.7297]\n", + " PeriodicSite: Li (11.83, 0.9421, 9.21) [0.5823, 0.04637, 0.4534]\n", + " PeriodicSite: Li (11.38, 2.725, 19.53) [0.5605, 0.1342, 0.9617]\n", + " PeriodicSite: Li (13.7, 13.23, 10.12) [0.6744, 0.6512, 0.4983]\n", + " PeriodicSite: Li (12.11, 10.41, 18.41) [0.596, 0.5127, 0.9065]\n", + " PeriodicSite: Li (0.3092, 3.127, 7.342) [0.01522, 0.154, 0.3614]\n", + " PeriodicSite: Li (0.1229, 2.382, 18.74) [0.006053, 0.1173, 0.9228]\n", + " PeriodicSite: Li (0.275, 12.67, 7.533) [0.01353, 0.6236, 0.3708]\n", + " PeriodicSite: Li (2.777, 12.77, 20.11) [0.1367, 0.6285, 0.9903]\n", + " PeriodicSite: Li (12.72, 1.181, 5.803) [0.6264, 0.05815, 0.2857]\n", + " PeriodicSite: Li (13.13, 0.4969, 17.09) [0.6465, 0.02446, 0.8415]\n", + " PeriodicSite: Li (10.49, 11.46, 8.296) [0.5163, 0.5644, 0.4084]\n", + " PeriodicSite: Li (13.07, 14.99, 18.45) [0.6432, 0.7379, 0.9081]\n", + " PeriodicSite: Li (6.377, 1.676, 5.536) [0.3139, 0.08251, 0.2725]\n", + " PeriodicSite: Li (2.381, 19.33, 0.9772) [0.1172, 0.9516, 0.04811]\n", + " PeriodicSite: Li (5.209, 13.61, 8.332) [0.2564, 0.6702, 0.4102]\n", + " PeriodicSite: Li (0.3202, 17.44, 14.62) [0.01576, 0.8586, 0.7196]\n", + " PeriodicSite: Li (15.07, 4.027, 8.366) [0.7418, 0.1983, 0.4119]\n", + " PeriodicSite: Li (15.24, 3.085, 18.73) [0.7503, 0.1519, 0.9221]\n", + " PeriodicSite: Li (16.86, 15.69, 8.463) [0.8302, 0.7722, 0.4166]\n", + " PeriodicSite: Li (13.54, 13.77, 0.9178) [0.6667, 0.678, 0.04519]\n", + " PeriodicSite: Li (5.605, 0.7459, 3.085) [0.2759, 0.03672, 0.1519]\n", + " PeriodicSite: Li (4.28, 2.937, 19.23) [0.2107, 0.1446, 0.9468]\n", + " PeriodicSite: Li (2.3, 12.74, 5.654) [0.1132, 0.6273, 0.2783]\n", + " PeriodicSite: Li (18.2, 10.54, 2.114) [0.896, 0.5188, 0.1041]\n", + " PeriodicSite: Li (10.05, 3.087, 6.709) [0.495, 0.152, 0.3303]\n", + " PeriodicSite: Li (16.56, 0.01285, 16.56) [0.8153, 0.0006262, 0.8154]\n", + " PeriodicSite: Li (14.47, 10.77, 7.365) [0.7125, 0.5302, 0.3626]\n", + " PeriodicSite: Li (14.92, 11.26, 17.19) [0.7346, 0.5545, 0.8464]\n", + " PeriodicSite: Li (4.765, 11.35, 17.29) [0.2346, 0.5587, 0.8511]\n", + " PeriodicSite: Li (2.382, 10.73, 9.552) [0.1172, 0.5284, 0.4703]\n", + " PeriodicSite: Li (3.75, 16.65, 19.38) [0.1846, 0.8196, 0.9539]\n", + " PeriodicSite: Li (1.415, 0.08848, 8.45) [0.06966, 0.004356, 0.416]\n", + " PeriodicSite: Li (13.89, 5.729, 1.968) [0.6839, 0.2821, 0.0969]\n", + " PeriodicSite: Li (13.17, 9.797, 14.65) [0.6482, 0.4823, 0.7212]\n", + " PeriodicSite: Li (11.49, 14.46, 6.668) [0.5658, 0.7117, 0.3283]\n", + " PeriodicSite: Li (15.11, 18.73, 13.18) [0.7438, 0.9223, 0.6491]\n", + " PeriodicSite: Li (3.55, 5.936, 0.8574) [0.1747, 0.2922, 0.04221]\n", + " PeriodicSite: Li (2.966, 4.739, 11.89) [0.146, 0.2333, 0.5856]\n", + " PeriodicSite: Li (6.276, 17.23, 19.84) [0.309, 0.8483, 0.9769]\n", + " PeriodicSite: Li (2.993, 18.93, 14.95) [0.1473, 0.932, 0.7358]\n", + " PeriodicSite: Li (16.48, 6.715, 1.512) [0.8111, 0.3306, 0.07446]\n", + " PeriodicSite: Li (10.49, 7.214, 12.72) [0.5164, 0.3551, 0.6262]\n", + " PeriodicSite: Li (13.44, 18.31, 4.387) [0.6618, 0.9015, 0.216]\n", + " PeriodicSite: Li (10.9, 17.85, 14.51) [0.5366, 0.8789, 0.7145]\n", + " PeriodicSite: Li (0.6821, 8.528, 1.26) [0.03357, 0.4198, 0.06205]\n", + " PeriodicSite: Li (4.35, 7.148, 10.69) [0.2142, 0.3519, 0.5265]\n", + " PeriodicSite: Li (3.017, 15.39, 1.607) [0.1485, 0.7578, 0.07914]\n", + " PeriodicSite: Li (2.633, 16.53, 10.89) [0.1296, 0.8139, 0.5364]\n", + " PeriodicSite: Li (11.72, 9.484, 1.808) [0.577, 0.4669, 0.089]\n", + " PeriodicSite: Li (12.4, 6.655, 14.78) [0.6104, 0.3276, 0.7275]\n", + " PeriodicSite: Li (12.33, 15.67, 3.211) [0.607, 0.7714, 0.1581]\n", + " PeriodicSite: Li (13.65, 15.81, 11.75) [0.672, 0.7785, 0.5787]\n", + " PeriodicSite: Li (1.12, 6.062, 3.284) [0.05514, 0.2985, 0.1617]\n", + " PeriodicSite: Li (17.31, 5.379, 9.511) [0.8523, 0.2648, 0.4682]\n", + " PeriodicSite: Li (2.329, 16.01, 4.536) [0.1147, 0.7882, 0.2233]\n", + " PeriodicSite: Li (20.18, 18.36, 12.23) [0.9933, 0.9036, 0.6023]\n", + " PeriodicSite: Li (10.71, 6.646, 3.494) [0.5273, 0.3272, 0.172]\n", + " PeriodicSite: Li (15.11, 8.934, 13.54) [0.744, 0.4398, 0.6667]\n", + " PeriodicSite: Li (12.71, 17.28, 20.25) [0.6257, 0.8509, 0.9969]\n", + " PeriodicSite: Li (9.032, 16.11, 17.36) [0.4447, 0.7932, 0.8548]\n", + " PeriodicSite: Li (5.685, 7.823, 3.101) [0.2799, 0.3851, 0.1527]\n", + " PeriodicSite: Li (1.11, 9.346, 12.34) [0.05466, 0.4601, 0.6073]\n", + " PeriodicSite: Li (0.08471, 17.69, 2.629) [0.004163, 0.8708, 0.1294]\n", + " PeriodicSite: Li (2.271, 0.02585, 12.7) [0.1118, 0.001273, 0.6254]\n", + " PeriodicSite: Li (15.3, 11.23, 2.924) [0.7534, 0.5528, 0.144]\n", + " PeriodicSite: Li (13.18, 7.17, 10.75) [0.6488, 0.353, 0.5291]\n", + " PeriodicSite: Li (11.87, 19.9, 2.011) [0.5842, 0.9795, 0.099]\n", + " PeriodicSite: Li (13.73, 15.6, 8.39) [0.6761, 0.7679, 0.4131]\n", + " PeriodicSite: Li (5.983, 4.21, 2.169) [0.2945, 0.2072, 0.1068]\n", + " PeriodicSite: Li (4.628, 8.036, 14.19) [0.2278, 0.3956, 0.6984]\n", + " PeriodicSite: Li (5.209, 18.29, 3.044) [0.2564, 0.9002, 0.1499]\n", + " PeriodicSite: Li (1.855, 15.32, 13.55) [0.09131, 0.7542, 0.6668]\n", + " PeriodicSite: Li (13.12, 11.8, 5.201) [0.6458, 0.5808, 0.256]\n", + " PeriodicSite: Li (15.18, 6.321, 12.47) [0.7472, 0.3112, 0.6141]\n", + " PeriodicSite: Li (14.93, 17.03, 1.735) [0.7351, 0.8386, 0.0854]\n", + " PeriodicSite: Li (14.91, 2.334, 14.36) [0.734, 0.1149, 0.707]\n", + " PeriodicSite: Li (9.51, 3.529, 3.08) [0.4682, 0.1737, 0.1516]\n", + " PeriodicSite: Li (9.522, 3.223, 12.88) [0.4688, 0.1587, 0.634]\n", + " PeriodicSite: Li (5.776, 10.41, 2.865) [0.2844, 0.5126, 0.141]\n", + " PeriodicSite: Li (3.497, 11.32, 14.51) [0.1722, 0.5571, 0.7144]\n", + " PeriodicSite: Li (17.2, 1.436, 4.961) [0.8469, 0.07068, 0.2443]\n", + " PeriodicSite: Li (12.4, 4.259, 9.311) [0.6106, 0.2097, 0.4584]\n", + " PeriodicSite: Li (18.44, 12.74, 0.3542) [0.9078, 0.6273, 0.01745]\n", + " PeriodicSite: Li (17.92, 10.23, 13.27) [0.8824, 0.5037, 0.6535]\n", + " PeriodicSite: Li (5.741, 18.18, 5.937) [0.2826, 0.8951, 0.2923]\n", + " PeriodicSite: Li (7.317, 2.62, 14.62) [0.3603, 0.129, 0.7198]\n", + " PeriodicSite: Li (8.836, 12.58, 0.2817) [0.435, 0.6193, 0.01387]\n", + " PeriodicSite: Li (9.315, 13.83, 13.42) [0.4586, 0.6809, 0.6604]\n", + " PeriodicSite: Li (15.64, 0.05085, 2.731) [0.77, 0.002497, 0.1345]\n", + " PeriodicSite: Li (18.97, 2.172, 10.69) [0.9339, 0.1069, 0.5265]\n", + " PeriodicSite: Li (18.14, 14.69, 4.134) [0.893, 0.7232, 0.2035]\n", + " PeriodicSite: Li (16.57, 14.82, 12.58) [0.816, 0.7298, 0.6194]\n", + " PeriodicSite: Li (7.982, 5.786, 5.851) [0.393, 0.2848, 0.2881]\n", + " PeriodicSite: Li (8.47, 0.4472, 11.88) [0.417, 0.02201, 0.5849]\n", + " PeriodicSite: Li (10.09, 13.19, 2.958) [0.4968, 0.6495, 0.1456]\n", + " PeriodicSite: Li (5.618, 14.43, 12.27) [0.2766, 0.7103, 0.6038]\n", + " PeriodicSite: Li (0.2051, 1.967, 2.378) [0.01009, 0.09682, 0.1171]\n", + " PeriodicSite: Li (18.51, 5.546, 13.38) [0.9113, 0.273, 0.6588]\n", + " PeriodicSite: Li (16.23, 14.57, 2.336) [0.7991, 0.7171, 0.115]\n", + " PeriodicSite: Li (15.19, 12.13, 13.3) [0.7478, 0.5973, 0.655]\n", + " PeriodicSite: Li (2.653, 19.03, 4.292) [0.1306, 0.9369, 0.2113]\n", + " PeriodicSite: Li (5.401, 0.8525, 13.22) [0.2659, 0.04197, 0.651]\n", + " PeriodicSite: Li (5.751, 12.91, 1.004) [0.2831, 0.6354, 0.04943]\n", + " PeriodicSite: Li (7.805, 7.503, 15.59) [0.3843, 0.3694, 0.7674]\n", + " PeriodicSite: Li (18.28, 4.147, 3.173) [0.8998, 0.2041, 0.1562]\n", + " PeriodicSite: Li (16.99, 0.5973, 13.59) [0.8363, 0.0294, 0.6691]\n", + " PeriodicSite: Li (15.73, 13.8, 18.57) [0.7745, 0.6792, 0.9142]\n", + " PeriodicSite: Li (19.5, 12.16, 11.2) [0.96, 0.5987, 0.5514]\n", + " PeriodicSite: Li (6.711, 3.332, 20.2) [0.3304, 0.164, 0.9943]\n", + " PeriodicSite: Li (5.796, 2.921, 10.46) [0.2854, 0.1438, 0.5149]\n", + " PeriodicSite: Li (8.666, 10.2, 2.002) [0.4266, 0.5022, 0.09857]\n", + " PeriodicSite: Li (8.348, 12.21, 10.52) [0.411, 0.6012, 0.5177]\n", + " PeriodicSite: Li (15.13, 2.859, 2.189) [0.7449, 0.1408, 0.1078]\n", + " PeriodicSite: Li (15.86, 3.359, 11.09) [0.7809, 0.1654, 0.5462]\n", + " PeriodicSite: Li (0.5015, 10.81, 17.81) [0.02469, 0.5322, 0.8766]\n", + " PeriodicSite: Li (19.8, 12.9, 14.11) [0.9747, 0.6351, 0.6947]\n", + " PeriodicSite: Li (8.431, 0.3019, 1.511) [0.4151, 0.01486, 0.0744]\n", + " PeriodicSite: Li (8.887, 2.202, 10.28) [0.4375, 0.1084, 0.5059]\n", + " PeriodicSite: Li (6.951, 11.84, 4.583) [0.3422, 0.5831, 0.2256]\n", + " PeriodicSite: Li (4.441, 17.53, 12.32) [0.2186, 0.8631, 0.6064]\n", + " PeriodicSite: Li (17.12, 2.843, 0.6044) [0.8426, 0.14, 0.02976]\n", + " PeriodicSite: Li (2.134, 6.254, 14.73) [0.1051, 0.3079, 0.7249]\n", + " PeriodicSite: Li (2.761, 15.13, 8.131) [0.1359, 0.7448, 0.4003]\n", + " PeriodicSite: Li (16.87, 13.24, 10.57) [0.8307, 0.6518, 0.5203]\n", + " PeriodicSite: Li (13.53, 8.81, 4.781) [0.6659, 0.4337, 0.2354]\n", + " PeriodicSite: Li (5.378, 8.228, 17.27) [0.2648, 0.4051, 0.8504]\n", + " PeriodicSite: Li (7.256, 15.19, 9.536) [0.3572, 0.7478, 0.4695]\n", + " PeriodicSite: Li (5.846, 14.29, 18.7) [0.2878, 0.7034, 0.9207]\n", + " PeriodicSite: Li (18.15, 10.07, 7.996) [0.8937, 0.4956, 0.3936]\n", + " PeriodicSite: Li (2.39, 4.332, 19.25) [0.1177, 0.2132, 0.9477]\n", + " PeriodicSite: Li (17.05, 18.3, 5.48) [0.8394, 0.901, 0.2698]\n", + " PeriodicSite: Li (19.65, 18.49, 18.72) [0.9675, 0.9101, 0.9214]\n", + " PeriodicSite: Li (7.937, 9.041, 5.608) [0.3908, 0.4451, 0.2761]\n", + " PeriodicSite: Li (9.776, 5.506, 17.54) [0.4813, 0.2711, 0.8636]\n", + " PeriodicSite: Li (7.648, 19.78, 7.995) [0.3765, 0.9738, 0.3936]\n", + " PeriodicSite: Li (6.541, 18.56, 15.25) [0.322, 0.9138, 0.751]\n", + " PeriodicSite: Li (18.15, 7.997, 9.705) [0.8934, 0.3937, 0.4778]\n", + " PeriodicSite: Li (18.92, 3.392, 15.98) [0.9313, 0.167, 0.7866]\n", + " PeriodicSite: Li (18.02, 20.15, 8.221) [0.8873, 0.9921, 0.4047]\n", + " PeriodicSite: Li (18.54, 15.8, 16.82) [0.9127, 0.7779, 0.828]\n", + " PeriodicSite: Li (6.618, 5.338, 8.365) [0.3258, 0.2628, 0.4118]\n", + " PeriodicSite: Li (6.696, 5.328, 18.25) [0.3297, 0.2623, 0.8986]\n", + " PeriodicSite: Li (9.13, 17.82, 9.325) [0.4495, 0.8771, 0.4591]\n", + " PeriodicSite: Li (12.05, 14.02, 15.82) [0.5931, 0.6902, 0.7788]\n", + " PeriodicSite: Li (20.24, 7.409, 7.46) [0.9965, 0.3648, 0.3673]\n", + " PeriodicSite: Li (19.9, 7.239, 17.26) [0.9798, 0.3564, 0.8496]\n", + " PeriodicSite: Li (16.83, 17.32, 10.64) [0.8283, 0.8527, 0.5236]\n", + " PeriodicSite: Li (16.7, 16.82, 19.79) [0.8223, 0.8283, 0.9742]\n", + " PeriodicSite: Li (8.624, 8.288, 10.15) [0.4246, 0.408, 0.4999]\n", + " PeriodicSite: Li (6.836, 7.096, 20.25) [0.3365, 0.3494, 0.9968]\n", + " PeriodicSite: Li (5.465, 17.45, 8.869) [0.269, 0.8592, 0.4366]\n", + " PeriodicSite: Li (6.697, 14.97, 2.181) [0.3297, 0.7368, 0.1074]\n", + " PeriodicSite: Li (15.92, 6.913, 8.176) [0.784, 0.3403, 0.4025]\n", + " PeriodicSite: Li (17.97, 9.631, 19.54) [0.8846, 0.4741, 0.9618]\n", + " PeriodicSite: Li (15.13, 18.63, 7.222) [0.7449, 0.917, 0.3555]\n", + " PeriodicSite: Li (15.07, 18.01, 16.18) [0.7419, 0.8867, 0.7968]\n", + " PeriodicSite: Li (6.805, 4.779, 12.29) [0.335, 0.2353, 0.605]\n", + " PeriodicSite: Li (7.899, 9.722, 18.13) [0.3889, 0.4786, 0.8924]\n", + " PeriodicSite: Li (9.188, 17.95, 5.624) [0.4523, 0.8835, 0.2769]\n", + " PeriodicSite: Li (10.1, 17.27, 2.968) [0.4973, 0.85, 0.1461]\n", + " PeriodicSite: Li (17.33, 9.014, 5.422) [0.853, 0.4438, 0.267]\n", + " PeriodicSite: Li (16.88, 5.663, 18.88) [0.8308, 0.2788, 0.9294]\n", + " PeriodicSite: Li (19.49, 17.6, 7.985) [0.9594, 0.8667, 0.3931]\n", + " PeriodicSite: Li (18.48, 20.25, 2.177) [0.9096, 0.9969, 0.1072]\n", + " PeriodicSite: Li (2.87, 9.447, 4.41) [0.1413, 0.4651, 0.2171]\n", + " PeriodicSite: Li (10.14, 8.236, 18.19) [0.499, 0.4055, 0.8955]\n", + " PeriodicSite: Li (8.2, 14.97, 6.592) [0.4037, 0.7369, 0.3245]\n", + " PeriodicSite: Li (6.62, 0.5097, 16.98) [0.3259, 0.02509, 0.8361]\n", + " PeriodicSite: Li (18.22, 5.648, 6.006) [0.8972, 0.2781, 0.2957]\n", + " PeriodicSite: Li (17.02, 12.17, 15.33) [0.8378, 0.5994, 0.7548]\n", + " PeriodicSite: Li (20.24, 13.14, 3.591) [0.9965, 0.6468, 0.1768]\n", + " PeriodicSite: Li (12.61, 20.08, 13.75) [0.6207, 0.9887, 0.677]\n", + " PeriodicSite: Cl (7.582, 12.83, 12.55) [0.3733, 0.6315, 0.6178]\n", + " PeriodicSite: Cl (2.223, 12.4, 17.86) [0.1094, 0.6107, 0.8791]\n", + " PeriodicSite: Cl (12.65, 17.85, 12.8) [0.6229, 0.8786, 0.6301]\n", + " PeriodicSite: Cl (17.82, 7.668, 18.31) [0.8774, 0.3775, 0.9015]\n", + " PeriodicSite: Cl (7.562, 2.464, 1.898) [0.3723, 0.1213, 0.09344]\n", + " PeriodicSite: Cl (7.041, 7.773, 7.15) [0.3466, 0.3827, 0.352]\n", + " PeriodicSite: Cl (12.88, 12.7, 7.711) [0.634, 0.625, 0.3796]\n", + " PeriodicSite: Cl (2.556, 7.819, 2.399) [0.1258, 0.3849, 0.1181]\n", + " PeriodicSite: Cl (2.668, 7.484, 12.81) [0.1313, 0.3684, 0.6308]\n", + " PeriodicSite: Cl (12.82, 12.61, 17.5) [0.6314, 0.6206, 0.8614]\n", + " PeriodicSite: Cl (17.79, 17.79, 17.86) [0.8758, 0.8758, 0.8792]\n", + " PeriodicSite: Cl (2.405, 2.54, 7.535) [0.1184, 0.1251, 0.371]\n", + " PeriodicSite: Cl (13.02, 2.825, 17.81) [0.6411, 0.1391, 0.8769]\n", + " PeriodicSite: Cl (12.76, 7.69, 2.709) [0.6283, 0.3786, 0.1334]\n", + " PeriodicSite: Cl (17.34, 2.916, 12.59) [0.8536, 0.1436, 0.6197]\n", + " PeriodicSite: Cl (7.452, 17.75, 18.0) [0.3669, 0.8737, 0.8861]\n", + " PeriodicSite: Cl (0.4871, 0.6441, 0.4488) [0.02398, 0.03171, 0.0221]\n", + " PeriodicSite: Cl (19.98, 20.24, 9.925) [0.9834, 0.9964, 0.4886]\n", + " PeriodicSite: Cl (19.92, 10.3, 0.1399) [0.9807, 0.5072, 0.006892]\n", + " PeriodicSite: Cl (20.28, 10.52, 9.605) [0.9985, 0.5181, 0.4729]\n", + " PeriodicSite: Cl (10.34, 20.3, 0.3318) [0.5091, 0.9996, 0.01634]\n", + " PeriodicSite: Cl (9.606, 0.0603, 9.791) [0.4729, 0.002965, 0.482]\n", + " PeriodicSite: Cl (10.44, 10.44, 20.22) [0.514, 0.5138, 0.9957]\n", + " PeriodicSite: Cl (10.29, 9.818, 10.21) [0.5068, 0.4834, 0.5026]\n", + " PeriodicSite: Cl (20.26, 4.511, 5.254) [0.9974, 0.2221, 0.2587]\n", + " PeriodicSite: Cl (20.24, 5.172, 15.9) [0.9965, 0.2546, 0.7826]\n", + " PeriodicSite: Cl (0.6046, 14.44, 5.248) [0.02976, 0.7108, 0.2584]\n", + " PeriodicSite: Cl (0.124, 15.23, 15.16) [0.006101, 0.75, 0.7462]\n", + " PeriodicSite: Cl (9.974, 4.792, 5.173) [0.491, 0.2359, 0.2547]\n", + " PeriodicSite: Cl (10.46, 5.293, 15.27) [0.5149, 0.2606, 0.7516]\n", + " PeriodicSite: Cl (10.32, 15.35, 4.56) [0.508, 0.7558, 0.2245]\n", + " PeriodicSite: Cl (10.11, 15.29, 15.3) [0.4975, 0.7529, 0.7533]\n", + " PeriodicSite: S (4.661, 19.89, 4.739) [0.2295, 0.9793, 0.2333]\n", + " PeriodicSite: S (5.012, 0.1594, 15.26) [0.2468, 0.007846, 0.7515]\n", + " PeriodicSite: S (5.477, 9.851, 5.084) [0.2696, 0.485, 0.2503]\n", + " PeriodicSite: S (5.256, 10.09, 15.29) [0.2588, 0.4966, 0.7525]\n", + " PeriodicSite: S (15.26, 20.13, 5.096) [0.7514, 0.9911, 0.2509]\n", + " PeriodicSite: S (15.03, 20.1, 14.89) [0.7399, 0.9893, 0.733]\n", + " PeriodicSite: S (15.12, 10.41, 5.297) [0.7444, 0.5124, 0.2608]\n", + " PeriodicSite: S (15.46, 10.33, 15.33) [0.761, 0.5087, 0.7546]\n", + " PeriodicSite: S (5.318, 4.911, 20.31) [0.2618, 0.2418, 0.9998]\n", + " PeriodicSite: S (5.056, 5.083, 10.33) [0.2489, 0.2502, 0.5085]\n", + " PeriodicSite: S (5.181, 15.0, 0.3817) [0.2551, 0.7385, 0.01879]\n", + " PeriodicSite: S (4.805, 15.16, 10.15) [0.2365, 0.7464, 0.4995]\n", + " PeriodicSite: S (15.25, 4.905, 0.3534) [0.7509, 0.2415, 0.0174]\n", + " PeriodicSite: S (14.84, 5.414, 10.1) [0.7305, 0.2665, 0.4974]\n", + " PeriodicSite: S (14.82, 15.27, 0.1522) [0.7296, 0.7519, 0.007499]\n", + " PeriodicSite: S (15.17, 15.43, 10.13) [0.7467, 0.7597, 0.4988]\n", + " PeriodicSite: S (8.637, 4.308, 8.761) [0.4252, 0.2121, 0.4313]\n", + " PeriodicSite: S (8.999, 4.121, 19.14) [0.443, 0.2029, 0.9424]\n", + " PeriodicSite: S (9.09, 13.85, 8.792) [0.4475, 0.6818, 0.4329]\n", + " PeriodicSite: S (8.588, 14.22, 18.8) [0.4228, 0.7, 0.9255]\n", + " PeriodicSite: S (19.1, 3.946, 9.122) [0.9405, 0.1943, 0.4491]\n", + " PeriodicSite: S (19.16, 4.136, 19.57) [0.9434, 0.2036, 0.9634]\n", + " PeriodicSite: S (18.84, 13.93, 9.14) [0.9277, 0.6859, 0.45]\n", + " PeriodicSite: S (19.3, 14.01, 18.79) [0.9504, 0.6897, 0.9251]\n", + " PeriodicSite: S (3.883, 1.261, 1.146) [0.1912, 0.06208, 0.0564]\n", + " PeriodicSite: S (3.721, 1.56, 11.11) [0.1832, 0.07682, 0.5468]\n", + " PeriodicSite: S (3.911, 11.23, 1.277) [0.1925, 0.5531, 0.06287]\n", + " PeriodicSite: S (3.852, 11.24, 11.51) [0.1896, 0.5532, 0.5668]\n", + " PeriodicSite: S (14.04, 1.097, 0.5796) [0.6914, 0.05401, 0.02854]\n", + " PeriodicSite: S (13.83, 1.517, 11.25) [0.6807, 0.07469, 0.5539]\n", + " PeriodicSite: S (13.76, 11.43, 0.9155) [0.6775, 0.5625, 0.04508]\n", + " PeriodicSite: S (14.0, 11.19, 11.63) [0.6891, 0.551, 0.5726]\n", + " PeriodicSite: S (5.776, 1.156, 8.472) [0.2843, 0.05689, 0.4171]\n", + " PeriodicSite: S (6.212, 1.181, 19.03) [0.3058, 0.05812, 0.9371]\n", + " PeriodicSite: S (6.373, 11.25, 8.974) [0.3137, 0.5537, 0.4418]\n", + " PeriodicSite: S (6.349, 11.35, 19.19) [0.3126, 0.5585, 0.9447]\n", + " PeriodicSite: S (16.52, 1.739, 9.261) [0.8131, 0.08559, 0.4559]\n", + " PeriodicSite: S (16.71, 0.8796, 18.83) [0.8226, 0.0433, 0.927]\n", + " PeriodicSite: S (16.36, 11.21, 9.151) [0.8052, 0.5518, 0.4505]\n", + " PeriodicSite: S (16.52, 11.74, 19.13) [0.8132, 0.5781, 0.942]\n", + " PeriodicSite: S (1.551, 4.356, 1.272) [0.07634, 0.2145, 0.06264]\n", + " PeriodicSite: S (0.6821, 3.918, 11.82) [0.03358, 0.1929, 0.5818]\n", + " PeriodicSite: S (1.036, 14.22, 1.148) [0.051, 0.6999, 0.05651]\n", + " PeriodicSite: S (1.009, 14.21, 11.59) [0.04969, 0.6994, 0.5705]\n", + " PeriodicSite: S (11.16, 3.996, 1.189) [0.5494, 0.1967, 0.05854]\n", + " PeriodicSite: S (10.88, 3.66, 11.01) [0.5356, 0.1802, 0.5421]\n", + " PeriodicSite: S (10.95, 14.01, 0.8513) [0.5389, 0.6895, 0.04191]\n", + " PeriodicSite: S (11.35, 14.22, 11.33) [0.559, 0.7003, 0.5576]\n", + " PeriodicSite: S (2.492, 2.567, 17.84) [0.1227, 0.1264, 0.8782]\n", + " PeriodicSite: S (2.888, 12.45, 7.89) [0.1422, 0.6129, 0.3884]\n", + " PeriodicSite: S (12.7, 2.624, 7.496) [0.6251, 0.1292, 0.369]\n", + " PeriodicSite: S (9.441, 8.84, 3.735) [0.4648, 0.4352, 0.1839]\n", + " PeriodicSite: S (9.217, 8.81, 14.01) [0.4537, 0.4337, 0.6895]\n", + " PeriodicSite: S (9.221, 19.25, 3.666) [0.4539, 0.9477, 0.1805]\n", + " PeriodicSite: S (8.8, 19.07, 14.19) [0.4332, 0.9388, 0.6985]\n", + " PeriodicSite: S (19.16, 9.024, 3.814) [0.9435, 0.4443, 0.1878]\n", + " PeriodicSite: S (19.56, 8.484, 13.7) [0.9628, 0.4177, 0.6743]\n", + " PeriodicSite: S (19.16, 18.88, 4.43) [0.9433, 0.9295, 0.2181]\n", + " PeriodicSite: S (19.31, 19.65, 14.09) [0.9509, 0.9672, 0.6937]\n", + " PeriodicSite: S (3.631, 5.83, 5.916) [0.1788, 0.287, 0.2913]\n", + " PeriodicSite: S (3.797, 6.398, 16.69) [0.187, 0.315, 0.8214]\n", + " PeriodicSite: S (4.045, 16.2, 6.593) [0.1991, 0.7975, 0.3246]\n", + " PeriodicSite: S (3.651, 16.45, 16.48) [0.1797, 0.8099, 0.8112]\n", + " PeriodicSite: S (14.42, 6.723, 6.35) [0.7099, 0.331, 0.3126]\n", + " PeriodicSite: S (14.17, 6.482, 17.05) [0.6975, 0.3191, 0.8393]\n", + " PeriodicSite: S (13.56, 16.33, 5.97) [0.6676, 0.8038, 0.2939]\n", + " PeriodicSite: S (14.17, 16.08, 16.65) [0.6975, 0.7914, 0.8198]\n", + " PeriodicSite: S (6.56, 5.791, 3.892) [0.323, 0.2851, 0.1916]\n", + " PeriodicSite: S (6.23, 6.228, 14.31) [0.3067, 0.3066, 0.7043]\n", + " PeriodicSite: S (6.505, 16.12, 4.138) [0.3202, 0.7935, 0.2037]\n", + " PeriodicSite: S (5.934, 16.55, 13.93) [0.2921, 0.8147, 0.6859]\n", + " PeriodicSite: S (16.82, 5.992, 3.972) [0.8283, 0.295, 0.1956]\n", + " PeriodicSite: S (16.46, 6.491, 14.46) [0.8104, 0.3195, 0.7119]\n", + " PeriodicSite: S (16.26, 16.52, 3.842) [0.8006, 0.8135, 0.1891]\n", + " PeriodicSite: S (16.57, 16.61, 14.31) [0.8158, 0.8179, 0.7043]\n", + " PeriodicSite: S (1.181, 9.279, 6.258) [0.05812, 0.4568, 0.3081]\n", + " PeriodicSite: S (1.398, 8.883, 16.28) [0.0688, 0.4373, 0.8015]\n", + " PeriodicSite: S (1.22, 18.99, 6.639) [0.06007, 0.9347, 0.3269]\n", + " PeriodicSite: S (0.9649, 19.28, 16.64) [0.0475, 0.9494, 0.819]\n", + " PeriodicSite: S (11.66, 9.589, 6.287) [0.5743, 0.4721, 0.3095]\n", + " PeriodicSite: S (11.57, 9.1, 16.55) [0.5696, 0.448, 0.815]\n", + " PeriodicSite: S (11.37, 19.27, 6.268) [0.5599, 0.9489, 0.3086]\n", + " PeriodicSite: S (11.42, 19.29, 16.13) [0.5624, 0.9497, 0.7941]\n", + " PeriodicSite: S (2.479, 17.5, 2.573) [0.122, 0.8613, 0.1267]\n", + " PeriodicSite: S (2.091, 17.71, 12.78) [0.1029, 0.8719, 0.629]\n", + " PeriodicSite: S (12.79, 8.043, 12.86) [0.6298, 0.396, 0.6331]\n", + " PeriodicSite: S (12.67, 17.66, 2.27) [0.6239, 0.8693, 0.1117]\n", + " PeriodicSite: S (4.48, 3.26, 3.805) [0.2205, 0.1605, 0.1873]\n", + " PeriodicSite: S (3.474, 4.165, 14.28) [0.171, 0.2051, 0.7031]\n", + " PeriodicSite: S (3.907, 13.9, 3.937) [0.1923, 0.6842, 0.1938]\n", + " PeriodicSite: S (3.842, 13.98, 13.9) [0.1892, 0.6882, 0.6845]\n", + " PeriodicSite: S (13.95, 4.283, 3.851) [0.6867, 0.2109, 0.1896]\n", + " PeriodicSite: S (13.84, 4.526, 14.33) [0.6815, 0.2228, 0.7056]\n", + " PeriodicSite: S (13.93, 14.05, 3.611) [0.6859, 0.6915, 0.1778]\n", + " PeriodicSite: S (14.16, 14.11, 14.19) [0.6972, 0.6945, 0.6988]\n", + " PeriodicSite: S (8.878, 0.9887, 6.384) [0.4371, 0.04867, 0.3143]\n", + " PeriodicSite: S (8.915, 1.422, 16.5) [0.4389, 0.07001, 0.8122]\n", + " PeriodicSite: S (8.824, 11.36, 6.017) [0.4344, 0.5595, 0.2962]\n", + " PeriodicSite: S (8.748, 11.16, 16.44) [0.4307, 0.5493, 0.8092]\n", + " PeriodicSite: S (19.44, 1.245, 6.513) [0.9571, 0.06128, 0.3206]\n", + " PeriodicSite: S (19.09, 1.309, 16.53) [0.9398, 0.06442, 0.8139]\n", + " PeriodicSite: S (19.08, 11.57, 6.09) [0.9392, 0.5697, 0.2998]\n", + " PeriodicSite: S (19.07, 11.07, 15.91) [0.9388, 0.5448, 0.7832]\n", + " PeriodicSite: S (1.121, 0.7773, 4.008) [0.0552, 0.03826, 0.1973]\n", + " PeriodicSite: S (1.417, 1.56, 14.14) [0.06978, 0.0768, 0.6962]\n", + " PeriodicSite: S (1.373, 11.21, 3.787) [0.06761, 0.5518, 0.1865]\n", + " PeriodicSite: S (1.192, 11.29, 13.92) [0.05866, 0.5559, 0.6855]\n", + " PeriodicSite: S (11.29, 1.511, 4.006) [0.5559, 0.07439, 0.1972]\n", + " PeriodicSite: S (10.83, 1.366, 13.74) [0.5329, 0.06726, 0.6764]\n", + " PeriodicSite: S (11.29, 11.24, 3.361) [0.5556, 0.5534, 0.1655]\n", + " PeriodicSite: S (11.18, 11.47, 13.95) [0.5505, 0.5648, 0.6867]\n", + " PeriodicSite: S (6.032, 3.908, 6.581) [0.297, 0.1924, 0.324]\n", + " PeriodicSite: S (6.159, 3.787, 16.5) [0.3032, 0.1864, 0.8122]\n", + " PeriodicSite: S (6.252, 13.67, 6.225) [0.3078, 0.673, 0.3065]\n", + " PeriodicSite: S (5.776, 13.92, 16.39) [0.2843, 0.6852, 0.807]\n", + " PeriodicSite: S (16.24, 4.177, 6.447) [0.7996, 0.2056, 0.3174]\n", + " PeriodicSite: S (16.44, 4.13, 16.74) [0.8095, 0.2033, 0.8243]\n", + " PeriodicSite: S (16.1, 14.33, 6.286) [0.7928, 0.7054, 0.3095]\n", + " PeriodicSite: S (16.83, 14.12, 16.48) [0.8283, 0.6951, 0.8111]\n", + " PeriodicSite: S (7.289, 2.45, 12.3) [0.3588, 0.1206, 0.6056]\n", + " PeriodicSite: S (7.766, 12.42, 2.351) [0.3823, 0.6112, 0.1157]\n", + " PeriodicSite: S (17.56, 2.054, 2.715) [0.8643, 0.1011, 0.1337]\n", + " PeriodicSite: S (17.55, 12.67, 2.789) [0.8639, 0.6235, 0.1373]\n", + " PeriodicSite: S (17.76, 12.75, 12.88) [0.8741, 0.6277, 0.6342]\n", + " PeriodicSite: S (3.962, 9.205, 8.779) [0.195, 0.4532, 0.4322]\n", + " PeriodicSite: S (3.962, 9.351, 18.83) [0.1951, 0.4604, 0.9272]\n", + " PeriodicSite: S (3.522, 19.04, 9.079) [0.1734, 0.9373, 0.447]\n", + " PeriodicSite: S (3.642, 19.14, 19.15) [0.1793, 0.9422, 0.9427]\n", + " PeriodicSite: S (14.09, 8.902, 9.15) [0.6935, 0.4382, 0.4505]\n", + " PeriodicSite: S (14.36, 9.26, 18.64) [0.7068, 0.4559, 0.9178]\n", + " PeriodicSite: S (14.11, 19.59, 8.961) [0.6946, 0.9646, 0.4412]\n", + " PeriodicSite: S (14.19, 18.86, 18.82) [0.6984, 0.9283, 0.9265]\n", + " PeriodicSite: S (9.067, 6.641, 1.223) [0.4464, 0.327, 0.06019]\n", + " PeriodicSite: S (8.773, 6.14, 11.5) [0.4319, 0.3023, 0.5663]\n", + " PeriodicSite: S (8.486, 16.23, 1.015) [0.4178, 0.7992, 0.04997]\n", + " PeriodicSite: S (8.677, 16.17, 11.06) [0.4272, 0.796, 0.5447]\n", + " PeriodicSite: S (19.29, 6.311, 1.777) [0.9496, 0.3107, 0.08751]\n", + " PeriodicSite: S (18.76, 6.305, 11.06) [0.9236, 0.3104, 0.5443]\n", + " PeriodicSite: S (18.89, 16.29, 1.108) [0.9297, 0.802, 0.05456]\n", + " PeriodicSite: S (18.8, 16.21, 11.7) [0.9257, 0.798, 0.576]\n", + " PeriodicSite: S (1.37, 6.051, 9.122) [0.06743, 0.2979, 0.4491]\n", + " PeriodicSite: S (1.009, 7.081, 19.52) [0.04968, 0.3486, 0.961]\n", + " PeriodicSite: S (0.7922, 16.27, 9.068) [0.03899, 0.801, 0.4464]\n", + " PeriodicSite: S (1.223, 16.75, 19.32) [0.06021, 0.8246, 0.951]\n", + " PeriodicSite: S (11.17, 6.546, 9.365) [0.5499, 0.3222, 0.4611]\n", + " PeriodicSite: S (11.33, 6.294, 19.21) [0.558, 0.3098, 0.9455]\n", + " PeriodicSite: S (11.12, 16.42, 8.676) [0.5476, 0.8084, 0.4271]\n", + " PeriodicSite: S (10.85, 16.57, 19.06) [0.5344, 0.8157, 0.9384]\n", + " PeriodicSite: S (6.34, 8.988, 1.155) [0.3121, 0.4425, 0.05688]\n", + " PeriodicSite: S (6.303, 8.77, 11.31) [0.3103, 0.4317, 0.557]\n", + " PeriodicSite: S (6.193, 19.19, 1.038) [0.3049, 0.9445, 0.0511]\n", + " PeriodicSite: S (5.863, 19.29, 11.5) [0.2887, 0.9496, 0.5663]\n", + " PeriodicSite: S (16.37, 9.251, 0.9256) [0.8059, 0.4554, 0.04557]\n", + " PeriodicSite: S (16.35, 8.694, 11.59) [0.8048, 0.428, 0.5706]\n", + " PeriodicSite: S (16.33, 19.01, 1.002) [0.804, 0.936, 0.04935]\n", + " PeriodicSite: S (16.46, 19.5, 11.5) [0.8102, 0.96, 0.566]\n", + " PeriodicSite: S (7.618, 7.445, 17.91) [0.3751, 0.3665, 0.8815]\n", + " PeriodicSite: S (7.629, 17.54, 7.693) [0.3756, 0.8636, 0.3787]\n", + " PeriodicSite: S (18.09, 7.705, 7.607) [0.8904, 0.3793, 0.3745]\n", + " PeriodicSite: S (17.35, 17.87, 8.017) [0.8541, 0.8799, 0.3947]\n", + " PeriodicSite: P (4.935, 0.01882, 20.27) [0.243, 0.000926, 0.9982]\n", + " PeriodicSite: P (4.716, 0.1564, 10.08) [0.2322, 0.007697, 0.4961]\n", + " PeriodicSite: P (4.987, 10.13, 20.29) [0.2455, 0.4987, 0.9989]\n", + " PeriodicSite: P (5.195, 10.17, 10.21) [0.2558, 0.5007, 0.5026]\n", + " PeriodicSite: P (15.32, 20.18, 19.84) [0.7543, 0.9933, 0.9767]\n", + " PeriodicSite: P (15.15, 0.3462, 10.28) [0.746, 0.01704, 0.5061]\n", + " PeriodicSite: P (15.21, 10.46, 20.06) [0.7486, 0.5151, 0.9875]\n", + " PeriodicSite: P (15.24, 9.964, 10.4) [0.7504, 0.4905, 0.5121]\n", + " PeriodicSite: P (5.103, 4.787, 5.015) [0.2512, 0.2357, 0.2469]\n", + " PeriodicSite: P (4.902, 5.164, 15.46) [0.2413, 0.2542, 0.7614]\n", + " PeriodicSite: P (5.06, 14.96, 5.235) [0.2491, 0.7365, 0.2577]\n", + " PeriodicSite: P (4.802, 15.26, 15.12) [0.2364, 0.7513, 0.7442]\n", + " PeriodicSite: P (15.25, 5.34, 5.141) [0.7509, 0.2629, 0.2531]\n", + " PeriodicSite: P (15.17, 5.437, 15.76) [0.7467, 0.2677, 0.7761]\n", + " PeriodicSite: P (14.95, 15.35, 4.894) [0.7358, 0.7555, 0.2409]\n", + " PeriodicSite: P (15.55, 15.2, 15.35) [0.7655, 0.7484, 0.7558]\n", + " PeriodicSite: P (0.06995, 20.18, 5.497) [0.003436, 0.9936, 0.2706]\n", + " PeriodicSite: P (0.1745, 0.4174, 15.34) [0.008594, 0.02055, 0.7552]\n", + " PeriodicSite: P (0.01291, 10.22, 4.978) [0.0006322, 0.5032, 0.2451]\n", + " PeriodicSite: P (0.09688, 9.842, 15.06) [0.004769, 0.4845, 0.7416]\n", + " PeriodicSite: P (10.2, 0.1394, 5.06) [0.5023, 0.00686, 0.2491]\n", + " PeriodicSite: P (9.921, 0.1424, 15.21) [0.4884, 0.007008, 0.7486]\n", + " PeriodicSite: P (10.31, 10.3, 4.91) [0.5078, 0.507, 0.2417]\n", + " PeriodicSite: P (10.18, 10.2, 15.26) [0.5011, 0.5019, 0.7515]\n", + " PeriodicSite: P (0.1287, 5.516, 0.305) [0.006334, 0.2716, 0.01502]\n", + " PeriodicSite: P (20.31, 5.131, 10.27) [0.9997, 0.2526, 0.5058]\n", + " PeriodicSite: P (20.16, 15.32, 20.19) [0.9926, 0.7543, 0.9942]\n", + " PeriodicSite: P (19.95, 15.11, 10.36) [0.982, 0.7439, 0.5102]\n", + " PeriodicSite: P (10.08, 5.325, 0.1713) [0.4963, 0.2622, 0.008435]\n", + " PeriodicSite: P (9.942, 5.132, 10.13) [0.4895, 0.2526, 0.4988]\n", + " PeriodicSite: P (9.656, 15.2, 20.1) [0.4754, 0.7485, 0.9893]\n", + " PeriodicSite: P (10.16, 15.23, 10.02) [0.5, 0.7499, 0.4935],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.258, 2.901, 4.894) [0.1112, 0.1428, 0.2409]\n", + " PeriodicSite: Li (1.277, 3.347, 15.65) [0.06288, 0.1648, 0.7705]\n", + " PeriodicSite: Li (2.978, 13.45, 10.09) [0.1466, 0.6622, 0.497]\n", + " PeriodicSite: Li (1.644, 14.49, 17.43) [0.08093, 0.7135, 0.858]\n", + " PeriodicSite: Li (14.41, 1.091, 7.581) [0.7096, 0.05372, 0.3732]\n", + " PeriodicSite: Li (12.15, 3.505, 15.36) [0.5983, 0.1726, 0.7562]\n", + " PeriodicSite: Li (17.14, 11.97, 4.76) [0.8437, 0.5893, 0.2344]\n", + " PeriodicSite: Li (16.18, 8.778, 16.98) [0.7967, 0.4322, 0.8359]\n", + " PeriodicSite: Li (3.879, 3.959, 8.556) [0.191, 0.1949, 0.4212]\n", + " PeriodicSite: Li (3.632, 0.3958, 17.34) [0.1788, 0.01948, 0.8535]\n", + " PeriodicSite: Li (5.34, 7.891, 6.784) [0.2629, 0.3885, 0.334]\n", + " PeriodicSite: Li (7.065, 9.688, 13.28) [0.3478, 0.4769, 0.654]\n", + " PeriodicSite: Li (12.18, 4.966, 6.043) [0.5998, 0.2445, 0.2975]\n", + " PeriodicSite: Li (13.1, 4.809, 19.22) [0.6452, 0.2368, 0.9463]\n", + " PeriodicSite: Li (12.21, 9.78, 12.03) [0.6012, 0.4815, 0.5925]\n", + " PeriodicSite: Li (9.97, 18.83, 18.44) [0.4909, 0.9271, 0.908]\n", + " PeriodicSite: Li (4.535, 0.07264, 7.21) [0.2232, 0.003575, 0.355]\n", + " PeriodicSite: Li (4.425, 2.426, 15.93) [0.2179, 0.1194, 0.784]\n", + " PeriodicSite: Li (5.008, 11.02, 7.11) [0.2466, 0.5424, 0.3501]\n", + " PeriodicSite: Li (6.621, 12.1, 14.78) [0.326, 0.5955, 0.7276]\n", + " PeriodicSite: Li (12.44, 1.07, 9.232) [0.6126, 0.05266, 0.4545]\n", + " PeriodicSite: Li (10.36, 2.238, 19.32) [0.5102, 0.1102, 0.9512]\n", + " PeriodicSite: Li (13.24, 13.27, 9.761) [0.6516, 0.6534, 0.4806]\n", + " PeriodicSite: Li (12.36, 10.98, 19.12) [0.6083, 0.5404, 0.9413]\n", + " PeriodicSite: Li (20.16, 2.941, 6.799) [0.9927, 0.1448, 0.3347]\n", + " PeriodicSite: Li (1.151, 1.518, 18.46) [0.05668, 0.07472, 0.9087]\n", + " PeriodicSite: Li (0.2042, 12.52, 8.221) [0.01005, 0.6165, 0.4047]\n", + " PeriodicSite: Li (2.999, 13.29, 20.09) [0.1476, 0.6541, 0.989]\n", + " PeriodicSite: Li (12.73, 1.397, 5.252) [0.6269, 0.06879, 0.2586]\n", + " PeriodicSite: Li (13.61, 0.6077, 17.06) [0.6701, 0.02991, 0.8401]\n", + " PeriodicSite: Li (10.99, 11.0, 7.935) [0.5411, 0.5417, 0.3907]\n", + " PeriodicSite: Li (13.18, 15.15, 18.24) [0.6487, 0.7456, 0.898]\n", + " PeriodicSite: Li (5.939, 2.087, 5.514) [0.2924, 0.1027, 0.2715]\n", + " PeriodicSite: Li (2.362, 19.58, 1.2) [0.1163, 0.9641, 0.05909]\n", + " PeriodicSite: Li (5.184, 13.76, 8.496) [0.2552, 0.6772, 0.4183]\n", + " PeriodicSite: Li (0.3557, 17.6, 14.65) [0.01751, 0.8666, 0.7214]\n", + " PeriodicSite: Li (14.89, 3.98, 7.961) [0.733, 0.1959, 0.3919]\n", + " PeriodicSite: Li (14.98, 3.119, 18.75) [0.7376, 0.1536, 0.9231]\n", + " PeriodicSite: Li (16.84, 15.35, 8.189) [0.8292, 0.7556, 0.4032]\n", + " PeriodicSite: Li (13.55, 14.29, 1.202) [0.6669, 0.7035, 0.05919]\n", + " PeriodicSite: Li (5.331, 0.7258, 3.087) [0.2624, 0.03573, 0.152]\n", + " PeriodicSite: Li (4.407, 2.868, 19.73) [0.217, 0.1412, 0.9712]\n", + " PeriodicSite: Li (1.826, 12.83, 5.884) [0.08991, 0.6314, 0.2897]\n", + " PeriodicSite: Li (18.26, 10.76, 2.35) [0.899, 0.5298, 0.1157]\n", + " PeriodicSite: Li (10.3, 3.099, 7.253) [0.5071, 0.1525, 0.3571]\n", + " PeriodicSite: Li (17.38, 0.0915, 17.0) [0.8555, 0.004498, 0.837]\n", + " PeriodicSite: Li (15.12, 11.5, 7.258) [0.7443, 0.5664, 0.3573]\n", + " PeriodicSite: Li (15.11, 11.37, 17.09) [0.7437, 0.5596, 0.8413]\n", + " PeriodicSite: Li (4.288, 11.06, 17.16) [0.2111, 0.5445, 0.8449]\n", + " PeriodicSite: Li (2.323, 10.64, 8.793) [0.1143, 0.5239, 0.4329]\n", + " PeriodicSite: Li (3.253, 16.77, 19.87) [0.1601, 0.8255, 0.9781]\n", + " PeriodicSite: Li (1.672, 0.5031, 9.03) [0.08233, 0.02477, 0.4445]\n", + " PeriodicSite: Li (13.58, 5.156, 1.855) [0.6685, 0.2538, 0.09131]\n", + " PeriodicSite: Li (12.99, 10.2, 15.26) [0.6395, 0.5023, 0.7514]\n", + " PeriodicSite: Li (11.53, 14.82, 6.626) [0.5678, 0.7294, 0.3262]\n", + " PeriodicSite: Li (15.0, 18.64, 13.1) [0.7382, 0.9176, 0.6451]\n", + " PeriodicSite: Li (3.481, 6.218, 0.6976) [0.1714, 0.3061, 0.03434]\n", + " PeriodicSite: Li (2.767, 4.948, 12.0) [0.1362, 0.2436, 0.5906]\n", + " PeriodicSite: Li (6.184, 17.16, 19.94) [0.3044, 0.8449, 0.9818]\n", + " PeriodicSite: Li (3.284, 18.36, 14.98) [0.1617, 0.9039, 0.7375]\n", + " PeriodicSite: Li (16.1, 6.706, 1.095) [0.7927, 0.3301, 0.05393]\n", + " PeriodicSite: Li (10.7, 6.835, 13.56) [0.527, 0.3365, 0.6674]\n", + " PeriodicSite: Li (13.7, 18.49, 4.585) [0.6744, 0.9104, 0.2257]\n", + " PeriodicSite: Li (10.82, 17.55, 13.97) [0.5327, 0.8638, 0.6878]\n", + " PeriodicSite: Li (1.314, 8.51, 0.6966) [0.06471, 0.419, 0.03429]\n", + " PeriodicSite: Li (4.137, 7.058, 10.99) [0.2037, 0.3475, 0.5411]\n", + " PeriodicSite: Li (3.41, 15.53, 1.995) [0.1679, 0.7645, 0.09821]\n", + " PeriodicSite: Li (2.606, 16.19, 10.99) [0.1283, 0.797, 0.5413]\n", + " PeriodicSite: Li (12.09, 9.642, 2.368) [0.5951, 0.4747, 0.1166]\n", + " PeriodicSite: Li (12.25, 7.263, 15.51) [0.6029, 0.3576, 0.7638]\n", + " PeriodicSite: Li (12.08, 15.79, 3.602) [0.5949, 0.7773, 0.1774]\n", + " PeriodicSite: Li (13.24, 15.81, 11.95) [0.6517, 0.7782, 0.5885]\n", + " PeriodicSite: Li (0.7851, 6.341, 3.149) [0.03865, 0.3122, 0.155]\n", + " PeriodicSite: Li (17.18, 5.425, 9.652) [0.8457, 0.2671, 0.4752]\n", + " PeriodicSite: Li (2.34, 16.35, 4.681) [0.1152, 0.805, 0.2305]\n", + " PeriodicSite: Li (0.3585, 18.12, 11.46) [0.01764, 0.8922, 0.5643]\n", + " PeriodicSite: Li (10.59, 6.475, 2.965) [0.5214, 0.3188, 0.146]\n", + " PeriodicSite: Li (15.2, 8.349, 14.08) [0.7485, 0.411, 0.6929]\n", + " PeriodicSite: Li (12.83, 17.49, 20.09) [0.6316, 0.8611, 0.9888]\n", + " PeriodicSite: Li (9.21, 15.51, 16.95) [0.4534, 0.7637, 0.8343]\n", + " PeriodicSite: Li (4.503, 7.388, 3.742) [0.2217, 0.3637, 0.1842]\n", + " PeriodicSite: Li (0.8193, 9.075, 11.96) [0.04034, 0.4468, 0.5886]\n", + " PeriodicSite: Li (0.2229, 17.06, 2.871) [0.01097, 0.8399, 0.1414]\n", + " PeriodicSite: Li (2.144, 0.06403, 12.19) [0.1055, 0.003152, 0.6003]\n", + " PeriodicSite: Li (14.98, 10.66, 2.774) [0.7373, 0.5249, 0.1366]\n", + " PeriodicSite: Li (13.15, 7.127, 10.45) [0.6475, 0.3509, 0.5143]\n", + " PeriodicSite: Li (11.84, 19.94, 1.837) [0.5831, 0.9816, 0.09042]\n", + " PeriodicSite: Li (13.57, 16.13, 9.286) [0.6683, 0.7941, 0.4572]\n", + " PeriodicSite: Li (5.901, 4.255, 2.362) [0.2905, 0.2095, 0.1163]\n", + " PeriodicSite: Li (4.549, 8.309, 14.02) [0.224, 0.4091, 0.6903]\n", + " PeriodicSite: Li (5.09, 18.28, 3.137) [0.2506, 0.8999, 0.1544]\n", + " PeriodicSite: Li (1.771, 15.49, 13.67) [0.08718, 0.7628, 0.6731]\n", + " PeriodicSite: Li (12.96, 11.64, 5.447) [0.6381, 0.5728, 0.2682]\n", + " PeriodicSite: Li (14.59, 5.825, 12.71) [0.7183, 0.2868, 0.6257]\n", + " PeriodicSite: Li (14.86, 17.02, 1.626) [0.7314, 0.8379, 0.08003]\n", + " PeriodicSite: Li (15.82, 2.713, 14.49) [0.7786, 0.1336, 0.7134]\n", + " PeriodicSite: Li (9.786, 3.251, 3.393) [0.4818, 0.1601, 0.1671]\n", + " PeriodicSite: Li (9.395, 3.66, 13.16) [0.4626, 0.1802, 0.6478]\n", + " PeriodicSite: Li (5.193, 11.24, 2.973) [0.2557, 0.5535, 0.1464]\n", + " PeriodicSite: Li (3.679, 11.33, 13.64) [0.1811, 0.5579, 0.6713]\n", + " PeriodicSite: Li (16.78, 1.721, 4.9) [0.8262, 0.08471, 0.2413]\n", + " PeriodicSite: Li (12.72, 4.44, 9.414) [0.6262, 0.2186, 0.4635]\n", + " PeriodicSite: Li (18.79, 12.73, 0.6482) [0.925, 0.6267, 0.03192]\n", + " PeriodicSite: Li (17.27, 10.1, 13.04) [0.8502, 0.4972, 0.6419]\n", + " PeriodicSite: Li (6.238, 17.79, 6.014) [0.3071, 0.8758, 0.2961]\n", + " PeriodicSite: Li (6.969, 1.672, 15.0) [0.3431, 0.08231, 0.7387]\n", + " PeriodicSite: Li (8.735, 12.68, 0.6414) [0.43, 0.6241, 0.03158]\n", + " PeriodicSite: Li (9.473, 14.19, 12.73) [0.4664, 0.6987, 0.6267]\n", + " PeriodicSite: Li (15.53, 0.1035, 3.008) [0.7643, 0.005091, 0.1481]\n", + " PeriodicSite: Li (19.54, 2.14, 11.54) [0.9621, 0.1054, 0.5682]\n", + " PeriodicSite: Li (18.34, 14.73, 4.376) [0.9027, 0.7251, 0.2154]\n", + " PeriodicSite: Li (16.7, 15.07, 12.57) [0.822, 0.7419, 0.619]\n", + " PeriodicSite: Li (8.099, 5.411, 5.987) [0.3987, 0.2664, 0.2947]\n", + " PeriodicSite: Li (8.891, 0.4177, 12.12) [0.4377, 0.02056, 0.5966]\n", + " PeriodicSite: Li (9.461, 13.47, 3.43) [0.4658, 0.6631, 0.1689]\n", + " PeriodicSite: Li (5.641, 14.0, 12.02) [0.2777, 0.6895, 0.5917]\n", + " PeriodicSite: Li (20.21, 2.376, 1.845) [0.9948, 0.1169, 0.09082]\n", + " PeriodicSite: Li (19.07, 5.071, 13.25) [0.9388, 0.2497, 0.6524]\n", + " PeriodicSite: Li (15.92, 14.28, 2.177) [0.7837, 0.703, 0.1072]\n", + " PeriodicSite: Li (15.43, 12.22, 13.11) [0.7596, 0.6014, 0.6454]\n", + " PeriodicSite: Li (2.858, 19.45, 4.578) [0.1407, 0.9575, 0.2254]\n", + " PeriodicSite: Li (5.194, 1.118, 13.12) [0.2557, 0.05502, 0.6458]\n", + " PeriodicSite: Li (5.492, 12.98, 0.9713) [0.2703, 0.6392, 0.04782]\n", + " PeriodicSite: Li (7.327, 7.514, 15.4) [0.3607, 0.3699, 0.7582]\n", + " PeriodicSite: Li (18.12, 4.327, 3.192) [0.892, 0.213, 0.1572]\n", + " PeriodicSite: Li (16.99, 0.5107, 13.55) [0.8366, 0.02514, 0.6672]\n", + " PeriodicSite: Li (16.37, 14.22, 18.83) [0.806, 0.7002, 0.9271]\n", + " PeriodicSite: Li (19.58, 12.06, 11.66) [0.9642, 0.5937, 0.5739]\n", + " PeriodicSite: Li (7.33, 2.921, 0.1388) [0.3609, 0.1438, 0.006836]\n", + " PeriodicSite: Li (5.935, 2.88, 10.62) [0.2922, 0.1418, 0.5227]\n", + " PeriodicSite: Li (7.843, 10.14, 1.969) [0.3861, 0.4994, 0.09694]\n", + " PeriodicSite: Li (8.595, 11.7, 10.83) [0.4231, 0.5759, 0.5333]\n", + " PeriodicSite: Li (15.71, 3.156, 2.163) [0.7732, 0.1554, 0.1065]\n", + " PeriodicSite: Li (15.76, 3.403, 11.01) [0.7757, 0.1675, 0.5422]\n", + " PeriodicSite: Li (0.7798, 10.77, 17.92) [0.03839, 0.5304, 0.882]\n", + " PeriodicSite: Li (19.56, 12.71, 14.14) [0.9631, 0.6257, 0.6961]\n", + " PeriodicSite: Li (8.641, 0.04605, 1.963) [0.4254, 0.002263, 0.09663]\n", + " PeriodicSite: Li (8.832, 2.197, 10.33) [0.4348, 0.1081, 0.5087]\n", + " PeriodicSite: Li (6.957, 11.94, 4.596) [0.3425, 0.5876, 0.2263]\n", + " PeriodicSite: Li (4.394, 17.44, 12.4) [0.2163, 0.8584, 0.6102]\n", + " PeriodicSite: Li (17.55, 2.214, 0.2697) [0.8642, 0.109, 0.01328]\n", + " PeriodicSite: Li (2.007, 7.363, 15.02) [0.09882, 0.3625, 0.7394]\n", + " PeriodicSite: Li (2.702, 15.21, 8.112) [0.133, 0.749, 0.3993]\n", + " PeriodicSite: Li (16.87, 13.12, 10.6) [0.8305, 0.6458, 0.5218]\n", + " PeriodicSite: Li (13.68, 8.27, 4.786) [0.6733, 0.4071, 0.2356]\n", + " PeriodicSite: Li (5.512, 8.45, 17.17) [0.2714, 0.416, 0.8453]\n", + " PeriodicSite: Li (7.394, 15.68, 9.798) [0.364, 0.7719, 0.4824]\n", + " PeriodicSite: Li (6.174, 14.21, 18.53) [0.3039, 0.6994, 0.9121]\n", + " PeriodicSite: Li (18.93, 9.682, 7.899) [0.9319, 0.4767, 0.3889]\n", + " PeriodicSite: Li (3.305, 5.284, 18.09) [0.1627, 0.2602, 0.8906]\n", + " PeriodicSite: Li (17.07, 18.12, 5.211) [0.8404, 0.892, 0.2566]\n", + " PeriodicSite: Li (20.17, 18.6, 18.25) [0.9931, 0.9158, 0.8985]\n", + " PeriodicSite: Li (7.441, 8.959, 5.699) [0.3663, 0.4411, 0.2806]\n", + " PeriodicSite: Li (9.187, 5.526, 17.0) [0.4523, 0.2721, 0.8369]\n", + " PeriodicSite: Li (8.028, 19.97, 7.872) [0.3952, 0.983, 0.3875]\n", + " PeriodicSite: Li (6.369, 18.51, 14.62) [0.3135, 0.9114, 0.7199]\n", + " PeriodicSite: Li (18.25, 8.299, 10.03) [0.8985, 0.4085, 0.4939]\n", + " PeriodicSite: Li (18.76, 3.907, 16.56) [0.9233, 0.1923, 0.8151]\n", + " PeriodicSite: Li (17.95, 19.9, 8.506) [0.8835, 0.9795, 0.4188]\n", + " PeriodicSite: Li (18.62, 15.7, 17.06) [0.9167, 0.7731, 0.8397]\n", + " PeriodicSite: Li (6.601, 6.014, 9.122) [0.325, 0.2961, 0.4491]\n", + " PeriodicSite: Li (6.29, 5.58, 18.01) [0.3097, 0.2747, 0.8866]\n", + " PeriodicSite: Li (9.437, 17.86, 9.396) [0.4646, 0.8794, 0.4626]\n", + " PeriodicSite: Li (12.23, 13.27, 15.15) [0.6021, 0.6533, 0.7458]\n", + " PeriodicSite: Li (20.17, 7.033, 8.06) [0.9931, 0.3462, 0.3968]\n", + " PeriodicSite: Li (19.96, 6.95, 17.53) [0.9827, 0.3422, 0.8629]\n", + " PeriodicSite: Li (16.65, 17.28, 10.08) [0.8197, 0.8506, 0.4964]\n", + " PeriodicSite: Li (16.65, 17.24, 19.58) [0.8197, 0.8486, 0.964]\n", + " PeriodicSite: Li (8.767, 8.371, 10.35) [0.4316, 0.4121, 0.5096]\n", + " PeriodicSite: Li (6.945, 6.996, 20.04) [0.3419, 0.3444, 0.9864]\n", + " PeriodicSite: Li (5.467, 17.56, 9.162) [0.2691, 0.8647, 0.4511]\n", + " PeriodicSite: Li (6.728, 15.03, 2.098) [0.3312, 0.7399, 0.1033]\n", + " PeriodicSite: Li (15.51, 7.254, 8.489) [0.7637, 0.3571, 0.4179]\n", + " PeriodicSite: Li (18.17, 9.309, 19.77) [0.8944, 0.4583, 0.9731]\n", + " PeriodicSite: Li (15.25, 18.36, 7.187) [0.7509, 0.9038, 0.3538]\n", + " PeriodicSite: Li (15.59, 18.51, 15.79) [0.7676, 0.9115, 0.7773]\n", + " PeriodicSite: Li (6.882, 4.918, 12.06) [0.3388, 0.2421, 0.5937]\n", + " PeriodicSite: Li (7.613, 9.803, 18.39) [0.3748, 0.4826, 0.9056]\n", + " PeriodicSite: Li (9.552, 17.64, 5.979) [0.4703, 0.8685, 0.2943]\n", + " PeriodicSite: Li (10.24, 17.21, 2.476) [0.5043, 0.8471, 0.1219]\n", + " PeriodicSite: Li (16.76, 8.534, 5.621) [0.8253, 0.4201, 0.2767]\n", + " PeriodicSite: Li (17.02, 5.18, 18.67) [0.8378, 0.255, 0.9193]\n", + " PeriodicSite: Li (19.82, 17.34, 7.072) [0.976, 0.8539, 0.3482]\n", + " PeriodicSite: Li (18.38, 20.06, 2.02) [0.9049, 0.9875, 0.09948]\n", + " PeriodicSite: Li (2.808, 9.638, 4.708) [0.1382, 0.4745, 0.2318]\n", + " PeriodicSite: Li (9.978, 8.114, 18.39) [0.4912, 0.3995, 0.9053]\n", + " PeriodicSite: Li (8.317, 15.25, 7.25) [0.4095, 0.7506, 0.3569]\n", + " PeriodicSite: Li (7.018, 19.97, 17.2) [0.3455, 0.9832, 0.8467]\n", + " PeriodicSite: Li (18.17, 5.83, 6.028) [0.8944, 0.287, 0.2967]\n", + " PeriodicSite: Li (16.9, 12.13, 15.17) [0.832, 0.5974, 0.7469]\n", + " PeriodicSite: Li (20.25, 13.33, 3.435) [0.9971, 0.6564, 0.1691]\n", + " PeriodicSite: Li (12.95, 0.4261, 13.72) [0.6377, 0.02097, 0.6755]\n", + " PeriodicSite: Cl (7.664, 12.64, 12.57) [0.3773, 0.6225, 0.6187]\n", + " PeriodicSite: Cl (2.692, 12.61, 17.98) [0.1325, 0.6208, 0.8854]\n", + " PeriodicSite: Cl (12.79, 17.99, 12.69) [0.6296, 0.8858, 0.6247]\n", + " PeriodicSite: Cl (17.92, 7.356, 18.32) [0.8824, 0.3621, 0.9018]\n", + " PeriodicSite: Cl (7.759, 2.34, 2.611) [0.382, 0.1152, 0.1285]\n", + " PeriodicSite: Cl (7.725, 7.549, 7.63) [0.3803, 0.3717, 0.3757]\n", + " PeriodicSite: Cl (12.71, 12.93, 7.438) [0.6259, 0.6368, 0.3662]\n", + " PeriodicSite: Cl (2.486, 7.763, 2.964) [0.1224, 0.3822, 0.1459]\n", + " PeriodicSite: Cl (2.48, 7.484, 12.73) [0.1221, 0.3685, 0.6265]\n", + " PeriodicSite: Cl (12.83, 12.98, 17.59) [0.6315, 0.6388, 0.866]\n", + " PeriodicSite: Cl (17.9, 18.15, 17.68) [0.8812, 0.8935, 0.8705]\n", + " PeriodicSite: Cl (2.29, 2.103, 7.636) [0.1128, 0.1035, 0.3759]\n", + " PeriodicSite: Cl (12.89, 3.061, 17.85) [0.6347, 0.1507, 0.8786]\n", + " PeriodicSite: Cl (12.67, 7.506, 2.859) [0.6236, 0.3695, 0.1408]\n", + " PeriodicSite: Cl (17.17, 2.688, 12.69) [0.8451, 0.1323, 0.6249]\n", + " PeriodicSite: Cl (7.7, 18.02, 17.97) [0.3791, 0.8872, 0.8845]\n", + " PeriodicSite: Cl (20.25, 0.1269, 0.02008) [0.997, 0.00624, 0.0009941]\n", + " PeriodicSite: Cl (19.87, 0.2118, 10.31) [0.9782, 0.01042, 0.5074]\n", + " PeriodicSite: Cl (20.0, 10.49, 20.25) [0.9845, 0.5163, 0.9969]\n", + " PeriodicSite: Cl (0.1188, 10.45, 10.22) [0.005846, 0.5145, 0.5032]\n", + " PeriodicSite: Cl (10.22, 0.02239, 20.29) [0.5033, 0.001099, 0.999]\n", + " PeriodicSite: Cl (9.731, 0.1299, 9.816) [0.4791, 0.006393, 0.4833]\n", + " PeriodicSite: Cl (10.2, 10.63, 0.3731) [0.5024, 0.5231, 0.01837]\n", + " PeriodicSite: Cl (10.26, 10.48, 10.2) [0.5052, 0.5161, 0.5022]\n", + " PeriodicSite: Cl (0.1728, 4.509, 4.881) [0.008508, 0.222, 0.2403]\n", + " PeriodicSite: Cl (20.14, 5.542, 15.36) [0.9914, 0.2729, 0.7562]\n", + " PeriodicSite: Cl (0.2735, 14.79, 5.258) [0.01346, 0.7282, 0.2589]\n", + " PeriodicSite: Cl (0.3243, 15.36, 15.54) [0.01596, 0.7562, 0.765]\n", + " PeriodicSite: Cl (10.1, 5.005, 5.002) [0.4971, 0.2464, 0.2463]\n", + " PeriodicSite: Cl (10.53, 5.566, 15.33) [0.5185, 0.274, 0.755]\n", + " PeriodicSite: Cl (10.05, 15.5, 4.786) [0.4946, 0.763, 0.2356]\n", + " PeriodicSite: Cl (10.48, 15.43, 15.04) [0.5161, 0.7595, 0.7404]\n", + " PeriodicSite: S (5.274, 19.84, 5.009) [0.2596, 0.977, 0.2466]\n", + " PeriodicSite: S (5.083, 0.1981, 15.24) [0.2502, 0.009752, 0.7501]\n", + " PeriodicSite: S (4.919, 9.932, 5.032) [0.2422, 0.489, 0.2477]\n", + " PeriodicSite: S (5.216, 10.23, 15.07) [0.2568, 0.5035, 0.742]\n", + " PeriodicSite: S (15.12, 20.13, 5.26) [0.7442, 0.9912, 0.2589]\n", + " PeriodicSite: S (15.26, 0.2437, 14.92) [0.7511, 0.01199, 0.7346]\n", + " PeriodicSite: S (15.2, 10.22, 5.05) [0.7484, 0.5029, 0.2486]\n", + " PeriodicSite: S (15.44, 10.45, 14.97) [0.76, 0.5144, 0.7368]\n", + " PeriodicSite: S (5.228, 5.027, 20.21) [0.2574, 0.2475, 0.9947]\n", + " PeriodicSite: S (4.782, 4.968, 10.33) [0.2354, 0.2446, 0.5087]\n", + " PeriodicSite: S (5.02, 15.02, 0.02874) [0.2471, 0.7393, 0.001418]\n", + " PeriodicSite: S (4.767, 15.46, 9.986) [0.2347, 0.7611, 0.4916]\n", + " PeriodicSite: S (15.57, 4.622, 0.1221) [0.7664, 0.2275, 0.006014]\n", + " PeriodicSite: S (14.86, 5.328, 9.915) [0.7314, 0.2623, 0.4881]\n", + " PeriodicSite: S (14.75, 15.64, 19.98) [0.7263, 0.7698, 0.9836]\n", + " PeriodicSite: S (15.33, 14.94, 10.28) [0.7547, 0.7356, 0.506]\n", + " PeriodicSite: S (8.424, 4.438, 8.983) [0.4147, 0.2185, 0.4423]\n", + " PeriodicSite: S (9.026, 4.0, 19.14) [0.4443, 0.1969, 0.9421]\n", + " PeriodicSite: S (9.114, 13.72, 8.983) [0.4487, 0.6753, 0.4422]\n", + " PeriodicSite: S (8.861, 13.99, 18.81) [0.4362, 0.6885, 0.926]\n", + " PeriodicSite: S (19.09, 3.513, 9.503) [0.9399, 0.1729, 0.4678]\n", + " PeriodicSite: S (19.42, 3.908, 19.25) [0.9563, 0.1924, 0.9477]\n", + " PeriodicSite: S (18.88, 13.96, 9.162) [0.9293, 0.6874, 0.4511]\n", + " PeriodicSite: S (19.05, 14.11, 19.0) [0.9378, 0.6944, 0.9356]\n", + " PeriodicSite: S (3.98, 1.21, 0.8905) [0.196, 0.05958, 0.04384]\n", + " PeriodicSite: S (3.731, 1.331, 11.07) [0.1837, 0.06553, 0.5452]\n", + " PeriodicSite: S (3.744, 11.35, 1.094) [0.1843, 0.5587, 0.05386]\n", + " PeriodicSite: S (3.715, 11.22, 11.29) [0.1829, 0.5525, 0.5558]\n", + " PeriodicSite: S (13.93, 0.9881, 1.266) [0.686, 0.04864, 0.06235]\n", + " PeriodicSite: S (13.79, 1.32, 11.4) [0.6788, 0.065, 0.5611]\n", + " PeriodicSite: S (13.82, 11.45, 0.9786) [0.6802, 0.5637, 0.04818]\n", + " PeriodicSite: S (13.94, 11.46, 11.44) [0.6865, 0.564, 0.563]\n", + " PeriodicSite: S (6.295, 1.133, 9.056) [0.3099, 0.0558, 0.4458]\n", + " PeriodicSite: S (6.395, 1.102, 18.91) [0.3149, 0.05425, 0.9309]\n", + " PeriodicSite: S (6.394, 11.43, 9.079) [0.3148, 0.5627, 0.4469]\n", + " PeriodicSite: S (6.379, 11.35, 19.46) [0.314, 0.5589, 0.9579]\n", + " PeriodicSite: S (16.11, 1.585, 8.948) [0.793, 0.07803, 0.4405]\n", + " PeriodicSite: S (16.26, 1.149, 19.03) [0.8003, 0.05656, 0.9367]\n", + " PeriodicSite: S (16.55, 11.13, 9.032) [0.815, 0.5482, 0.4446]\n", + " PeriodicSite: S (16.83, 11.5, 19.32) [0.8285, 0.5663, 0.9512]\n", + " PeriodicSite: S (1.398, 4.216, 1.645) [0.06881, 0.2076, 0.08097]\n", + " PeriodicSite: S (0.7631, 4.094, 12.15) [0.03757, 0.2015, 0.5982]\n", + " PeriodicSite: S (0.882, 13.97, 1.227) [0.04341, 0.6879, 0.06041]\n", + " PeriodicSite: S (1.105, 14.23, 11.4) [0.05441, 0.7003, 0.5613]\n", + " PeriodicSite: S (11.34, 4.249, 1.284) [0.5583, 0.2092, 0.06324]\n", + " PeriodicSite: S (11.06, 3.58, 11.13) [0.5443, 0.1762, 0.5479]\n", + " PeriodicSite: S (10.9, 14.08, 1.262) [0.5365, 0.6933, 0.06215]\n", + " PeriodicSite: S (11.54, 14.02, 11.33) [0.5679, 0.6904, 0.5576]\n", + " PeriodicSite: S (2.943, 2.929, 17.78) [0.1449, 0.1442, 0.8756]\n", + " PeriodicSite: S (2.66, 12.8, 7.906) [0.131, 0.6303, 0.3892]\n", + " PeriodicSite: S (12.82, 2.766, 7.52) [0.631, 0.1362, 0.3702]\n", + " PeriodicSite: S (9.25, 8.844, 3.803) [0.4554, 0.4354, 0.1872]\n", + " PeriodicSite: S (8.991, 8.655, 14.11) [0.4426, 0.4261, 0.6945]\n", + " PeriodicSite: S (8.594, 19.0, 4.07) [0.4231, 0.9352, 0.2004]\n", + " PeriodicSite: S (8.648, 19.03, 14.41) [0.4258, 0.937, 0.7092]\n", + " PeriodicSite: S (19.28, 8.915, 3.988) [0.9492, 0.4389, 0.1963]\n", + " PeriodicSite: S (19.12, 8.909, 13.65) [0.9413, 0.4386, 0.6719]\n", + " PeriodicSite: S (19.37, 18.86, 3.803) [0.9535, 0.9284, 0.1873]\n", + " PeriodicSite: S (18.84, 19.43, 14.45) [0.9277, 0.9564, 0.7113]\n", + " PeriodicSite: S (3.688, 6.102, 5.936) [0.1816, 0.3004, 0.2922]\n", + " PeriodicSite: S (3.96, 6.642, 16.21) [0.195, 0.327, 0.7981]\n", + " PeriodicSite: S (4.085, 16.4, 6.244) [0.2011, 0.8072, 0.3074]\n", + " PeriodicSite: S (3.615, 16.05, 16.24) [0.178, 0.79, 0.7997]\n", + " PeriodicSite: S (14.33, 6.377, 6.357) [0.7056, 0.3139, 0.313]\n", + " PeriodicSite: S (14.51, 6.787, 16.95) [0.7145, 0.3341, 0.8346]\n", + " PeriodicSite: S (13.81, 16.26, 5.9) [0.6797, 0.8006, 0.2905]\n", + " PeriodicSite: S (13.85, 16.56, 16.53) [0.6818, 0.8155, 0.8139]\n", + " PeriodicSite: S (6.45, 6.04, 4.092) [0.3175, 0.2974, 0.2015]\n", + " PeriodicSite: S (5.931, 6.39, 13.71) [0.292, 0.3146, 0.6752]\n", + " PeriodicSite: S (6.488, 16.38, 4.036) [0.3194, 0.8066, 0.1987]\n", + " PeriodicSite: S (5.872, 16.16, 13.6) [0.2891, 0.7956, 0.6694]\n", + " PeriodicSite: S (16.84, 6.526, 4.183) [0.8291, 0.3213, 0.206]\n", + " PeriodicSite: S (16.81, 6.383, 14.5) [0.8277, 0.3142, 0.714]\n", + " PeriodicSite: S (16.26, 16.22, 3.739) [0.8003, 0.7986, 0.1841]\n", + " PeriodicSite: S (16.17, 16.59, 14.44) [0.7963, 0.817, 0.7108]\n", + " PeriodicSite: S (1.112, 9.073, 6.537) [0.05474, 0.4467, 0.3218]\n", + " PeriodicSite: S (0.8627, 8.859, 16.33) [0.04247, 0.4361, 0.804]\n", + " PeriodicSite: S (1.244, 19.1, 6.328) [0.06121, 0.9404, 0.3115]\n", + " PeriodicSite: S (1.238, 19.36, 16.44) [0.06092, 0.953, 0.8091]\n", + " PeriodicSite: S (11.62, 9.198, 6.126) [0.5722, 0.4528, 0.3016]\n", + " PeriodicSite: S (11.21, 9.315, 16.67) [0.5516, 0.4586, 0.8206]\n", + " PeriodicSite: S (11.22, 19.36, 6.063) [0.5525, 0.953, 0.2985]\n", + " PeriodicSite: S (11.51, 19.54, 16.1) [0.5668, 0.962, 0.7926]\n", + " PeriodicSite: S (2.466, 17.54, 2.609) [0.1214, 0.8634, 0.1284]\n", + " PeriodicSite: S (2.087, 17.9, 12.87) [0.1027, 0.8815, 0.6337]\n", + " PeriodicSite: S (12.93, 7.702, 13.08) [0.6364, 0.3792, 0.644]\n", + " PeriodicSite: S (12.57, 17.88, 2.48) [0.6186, 0.8803, 0.1221]\n", + " PeriodicSite: S (4.317, 3.322, 4.032) [0.2125, 0.1635, 0.1985]\n", + " PeriodicSite: S (3.744, 4.064, 14.09) [0.1843, 0.2001, 0.6936]\n", + " PeriodicSite: S (4.172, 13.99, 3.966) [0.2054, 0.689, 0.1952]\n", + " PeriodicSite: S (3.417, 13.76, 13.92) [0.1682, 0.6775, 0.6854]\n", + " PeriodicSite: S (14.28, 4.173, 3.946) [0.7028, 0.2054, 0.1943]\n", + " PeriodicSite: S (14.17, 4.3, 14.37) [0.6975, 0.2117, 0.7077]\n", + " PeriodicSite: S (13.99, 13.74, 3.584) [0.6889, 0.6762, 0.1765]\n", + " PeriodicSite: S (14.19, 14.16, 13.82) [0.6987, 0.697, 0.6802]\n", + " PeriodicSite: S (8.767, 1.478, 5.971) [0.4316, 0.07278, 0.294]\n", + " PeriodicSite: S (8.825, 1.439, 16.47) [0.4344, 0.07082, 0.8106]\n", + " PeriodicSite: S (8.912, 11.2, 6.002) [0.4388, 0.5513, 0.2955]\n", + " PeriodicSite: S (8.343, 11.23, 16.38) [0.4108, 0.5529, 0.8066]\n", + " PeriodicSite: S (18.98, 0.8306, 6.24) [0.9344, 0.04088, 0.3072]\n", + " PeriodicSite: S (19.35, 1.629, 16.58) [0.9528, 0.0802, 0.8163]\n", + " PeriodicSite: S (19.08, 11.38, 6.306) [0.9393, 0.5604, 0.3105]\n", + " PeriodicSite: S (19.22, 11.27, 16.32) [0.9464, 0.555, 0.8036]\n", + " PeriodicSite: S (1.36, 0.9109, 3.983) [0.06697, 0.04484, 0.1961]\n", + " PeriodicSite: S (0.9866, 1.285, 14.0) [0.04858, 0.06325, 0.6891]\n", + " PeriodicSite: S (1.347, 11.28, 4.09) [0.06632, 0.5552, 0.2014]\n", + " PeriodicSite: S (1.036, 11.12, 13.53) [0.05099, 0.5474, 0.6663]\n", + " PeriodicSite: S (11.15, 1.033, 3.475) [0.5488, 0.05086, 0.1711]\n", + " PeriodicSite: S (10.72, 1.378, 13.66) [0.528, 0.06784, 0.6723]\n", + " PeriodicSite: S (11.21, 11.67, 3.853) [0.5519, 0.5746, 0.1897]\n", + " PeriodicSite: S (10.95, 11.48, 14.08) [0.5389, 0.5652, 0.6933]\n", + " PeriodicSite: S (6.276, 3.955, 6.614) [0.309, 0.1947, 0.3256]\n", + " PeriodicSite: S (6.26, 4.058, 16.14) [0.3082, 0.1998, 0.7946]\n", + " PeriodicSite: S (6.457, 13.93, 6.279) [0.3179, 0.6857, 0.3091]\n", + " PeriodicSite: S (6.233, 14.06, 16.09) [0.3069, 0.692, 0.7921]\n", + " PeriodicSite: S (16.68, 3.924, 6.134) [0.8209, 0.1932, 0.302]\n", + " PeriodicSite: S (16.35, 3.862, 16.71) [0.8051, 0.1901, 0.8228]\n", + " PeriodicSite: S (16.23, 13.91, 6.062) [0.7991, 0.6847, 0.2985]\n", + " PeriodicSite: S (16.33, 14.02, 16.26) [0.804, 0.6902, 0.8006]\n", + " PeriodicSite: S (7.433, 2.472, 12.55) [0.3659, 0.1217, 0.6177]\n", + " PeriodicSite: S (7.275, 12.42, 2.463) [0.3581, 0.6117, 0.1213]\n", + " PeriodicSite: S (17.72, 2.047, 2.471) [0.8726, 0.1008, 0.1216]\n", + " PeriodicSite: S (18.01, 12.99, 2.871) [0.8869, 0.6397, 0.1414]\n", + " PeriodicSite: S (17.57, 12.56, 12.76) [0.8648, 0.6185, 0.6283]\n", + " PeriodicSite: S (4.097, 8.8, 8.934) [0.2017, 0.4332, 0.4398]\n", + " PeriodicSite: S (3.872, 9.054, 18.8) [0.1906, 0.4457, 0.9257]\n", + " PeriodicSite: S (3.406, 19.1, 8.989) [0.1677, 0.9406, 0.4425]\n", + " PeriodicSite: S (3.934, 19.0, 19.19) [0.1937, 0.9353, 0.9447]\n", + " PeriodicSite: S (13.77, 9.213, 9.132) [0.6777, 0.4535, 0.4496]\n", + " PeriodicSite: S (14.32, 9.407, 18.68) [0.7051, 0.4631, 0.9194]\n", + " PeriodicSite: S (13.87, 19.34, 9.019) [0.6827, 0.9524, 0.444]\n", + " PeriodicSite: S (14.03, 19.13, 18.82) [0.6908, 0.9417, 0.9266]\n", + " PeriodicSite: S (8.918, 6.362, 1.245) [0.439, 0.3132, 0.06127]\n", + " PeriodicSite: S (9.0, 6.208, 11.69) [0.4431, 0.3056, 0.5755]\n", + " PeriodicSite: S (8.611, 16.47, 0.9247) [0.4239, 0.8111, 0.04553]\n", + " PeriodicSite: S (9.064, 16.23, 11.3) [0.4462, 0.7991, 0.5563]\n", + " PeriodicSite: S (19.26, 6.263, 1.462) [0.948, 0.3083, 0.072]\n", + " PeriodicSite: S (18.72, 6.446, 11.36) [0.9218, 0.3173, 0.5594]\n", + " PeriodicSite: S (18.9, 16.47, 1.034) [0.9306, 0.8106, 0.05093]\n", + " PeriodicSite: S (18.8, 16.43, 11.32) [0.9257, 0.809, 0.5571]\n", + " PeriodicSite: S (1.316, 5.948, 9.59) [0.0648, 0.2928, 0.4721]\n", + " PeriodicSite: S (1.234, 6.591, 19.44) [0.06077, 0.3245, 0.9568]\n", + " PeriodicSite: S (0.9084, 16.54, 9.078) [0.04471, 0.8144, 0.4469]\n", + " PeriodicSite: S (1.144, 16.35, 18.93) [0.05631, 0.8051, 0.932]\n", + " PeriodicSite: S (11.06, 6.456, 9.175) [0.5444, 0.3178, 0.4517]\n", + " PeriodicSite: S (11.4, 6.416, 19.19) [0.5611, 0.3159, 0.9449]\n", + " PeriodicSite: S (11.35, 16.24, 8.738) [0.5588, 0.7994, 0.4302]\n", + " PeriodicSite: S (11.02, 16.36, 18.85) [0.5425, 0.8056, 0.9278]\n", + " PeriodicSite: S (5.93, 8.786, 1.08) [0.2919, 0.4325, 0.05316]\n", + " PeriodicSite: S (6.224, 8.881, 11.46) [0.3064, 0.4372, 0.564]\n", + " PeriodicSite: S (6.28, 19.2, 1.357) [0.3092, 0.9452, 0.06681]\n", + " PeriodicSite: S (5.93, 18.96, 11.43) [0.2919, 0.9336, 0.5626]\n", + " PeriodicSite: S (16.31, 9.206, 1.326) [0.8028, 0.4532, 0.06527]\n", + " PeriodicSite: S (16.2, 8.688, 11.36) [0.7974, 0.4277, 0.5595]\n", + " PeriodicSite: S (16.29, 18.97, 1.029) [0.8018, 0.9337, 0.05067]\n", + " PeriodicSite: S (16.49, 19.3, 11.31) [0.8118, 0.9502, 0.557]\n", + " PeriodicSite: S (7.705, 7.363, 17.81) [0.3793, 0.3625, 0.8768]\n", + " PeriodicSite: S (7.631, 17.55, 8.062) [0.3757, 0.8639, 0.3969]\n", + " PeriodicSite: S (17.82, 7.63, 7.798) [0.8775, 0.3757, 0.3839]\n", + " PeriodicSite: S (17.52, 17.72, 7.38) [0.8625, 0.8723, 0.3634]\n", + " PeriodicSite: P (5.179, 0.01767, 20.19) [0.255, 0.000869, 0.9939]\n", + " PeriodicSite: P (4.926, 20.19, 10.08) [0.2425, 0.9942, 0.4963]\n", + " PeriodicSite: P (5.003, 10.16, 20.18) [0.2463, 0.5001, 0.9933]\n", + " PeriodicSite: P (5.066, 10.16, 10.21) [0.2494, 0.5, 0.5026]\n", + " PeriodicSite: P (15.07, 20.18, 20.28) [0.7417, 0.9935, 0.9984]\n", + " PeriodicSite: P (15.13, 0.2676, 10.24) [0.7446, 0.01317, 0.5043]\n", + " PeriodicSite: P (15.27, 10.45, 20.23) [0.752, 0.5146, 0.9959]\n", + " PeriodicSite: P (15.18, 10.17, 10.31) [0.7472, 0.5006, 0.5076]\n", + " PeriodicSite: P (5.113, 4.911, 5.188) [0.2517, 0.2418, 0.2554]\n", + " PeriodicSite: P (5.003, 5.208, 15.03) [0.2463, 0.2564, 0.7397]\n", + " PeriodicSite: P (5.274, 15.19, 5.151) [0.2597, 0.7477, 0.2536]\n", + " PeriodicSite: P (4.768, 15.0, 15.04) [0.2348, 0.7386, 0.7405]\n", + " PeriodicSite: P (15.49, 5.328, 5.108) [0.7627, 0.2623, 0.2515]\n", + " PeriodicSite: P (15.47, 5.429, 15.65) [0.7619, 0.2672, 0.7706]\n", + " PeriodicSite: P (15.02, 15.03, 4.826) [0.7397, 0.7398, 0.2376]\n", + " PeriodicSite: P (14.87, 15.27, 15.36) [0.7322, 0.7515, 0.7564]\n", + " PeriodicSite: P (20.23, 20.16, 5.07) [0.9959, 0.9923, 0.2496]\n", + " PeriodicSite: P (20.29, 0.2536, 15.32) [0.9988, 0.01248, 0.7544]\n", + " PeriodicSite: P (20.23, 10.14, 5.21) [0.9961, 0.4993, 0.2565]\n", + " PeriodicSite: P (20.21, 10.06, 14.88) [0.9949, 0.4952, 0.7327]\n", + " PeriodicSite: P (9.922, 0.05317, 4.896) [0.4885, 0.002613, 0.241]\n", + " PeriodicSite: P (9.936, 0.1779, 15.23) [0.4892, 0.008755, 0.7498]\n", + " PeriodicSite: P (10.27, 10.22, 4.994) [0.5054, 0.5032, 0.2459]\n", + " PeriodicSite: P (9.744, 10.25, 15.46) [0.4797, 0.5046, 0.7612]\n", + " PeriodicSite: P (0.1274, 5.156, 0.1728) [0.006271, 0.2538, 0.008506]\n", + " PeriodicSite: P (20.12, 4.968, 10.53) [0.9903, 0.2446, 0.5186]\n", + " PeriodicSite: P (20.17, 15.3, 20.26) [0.993, 0.7533, 0.9974]\n", + " PeriodicSite: P (20.06, 15.27, 10.21) [0.9877, 0.7519, 0.5025]\n", + " PeriodicSite: P (10.08, 5.296, 0.01202) [0.4962, 0.2607, 0.0005949]\n", + " PeriodicSite: P (9.893, 5.169, 10.23) [0.487, 0.2545, 0.5035]\n", + " PeriodicSite: P (9.932, 15.28, 20.16) [0.489, 0.7524, 0.9923]\n", + " PeriodicSite: P (10.31, 15.06, 10.01) [0.5074, 0.7416, 0.4927],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.048, 3.207, 4.934) [0.1008, 0.1579, 0.2429]\n", + " PeriodicSite: Li (1.908, 3.123, 15.22) [0.09393, 0.1537, 0.7493]\n", + " PeriodicSite: Li (2.641, 13.39, 10.12) [0.13, 0.659, 0.4981]\n", + " PeriodicSite: Li (1.495, 14.87, 16.95) [0.07362, 0.732, 0.8343]\n", + " PeriodicSite: Li (14.19, 1.077, 7.254) [0.6986, 0.05299, 0.3571]\n", + " PeriodicSite: Li (12.31, 3.552, 15.89) [0.606, 0.1748, 0.7822]\n", + " PeriodicSite: Li (17.15, 11.74, 4.749) [0.8445, 0.5782, 0.2338]\n", + " PeriodicSite: Li (15.78, 8.5, 16.78) [0.7767, 0.4184, 0.8263]\n", + " PeriodicSite: Li (3.749, 5.224, 8.292) [0.1845, 0.2572, 0.4082]\n", + " PeriodicSite: Li (3.585, 20.3, 17.18) [0.1765, 0.9995, 0.8459]\n", + " PeriodicSite: Li (5.403, 7.992, 7.154) [0.266, 0.3935, 0.3522]\n", + " PeriodicSite: Li (6.993, 10.15, 13.13) [0.3443, 0.4998, 0.6463]\n", + " PeriodicSite: Li (12.18, 4.752, 6.485) [0.5995, 0.2339, 0.3193]\n", + " PeriodicSite: Li (13.31, 6.117, 19.02) [0.6552, 0.3011, 0.9362]\n", + " PeriodicSite: Li (11.19, 9.854, 12.16) [0.5507, 0.4851, 0.5989]\n", + " PeriodicSite: Li (10.23, 18.56, 18.47) [0.5035, 0.9137, 0.9093]\n", + " PeriodicSite: Li (4.097, 0.8081, 6.986) [0.2017, 0.03978, 0.3439]\n", + " PeriodicSite: Li (4.778, 2.349, 16.39) [0.2352, 0.1156, 0.8067]\n", + " PeriodicSite: Li (4.254, 10.92, 7.133) [0.2094, 0.5374, 0.3512]\n", + " PeriodicSite: Li (6.547, 12.08, 15.48) [0.3223, 0.5948, 0.7622]\n", + " PeriodicSite: Li (12.24, 1.46, 9.798) [0.6025, 0.07187, 0.4824]\n", + " PeriodicSite: Li (10.34, 1.861, 18.85) [0.5093, 0.09164, 0.928]\n", + " PeriodicSite: Li (13.55, 13.7, 9.391) [0.6673, 0.6743, 0.4623]\n", + " PeriodicSite: Li (12.24, 10.93, 18.63) [0.6028, 0.5383, 0.9171]\n", + " PeriodicSite: Li (20.21, 2.714, 7.673) [0.9949, 0.1336, 0.3777]\n", + " PeriodicSite: Li (1.202, 1.859, 18.73) [0.0592, 0.09152, 0.9221]\n", + " PeriodicSite: Li (0.3122, 12.71, 7.833) [0.01537, 0.6258, 0.3856]\n", + " PeriodicSite: Li (2.919, 14.08, 19.64) [0.1437, 0.6931, 0.967]\n", + " PeriodicSite: Li (12.56, 1.775, 5.046) [0.6181, 0.08738, 0.2484]\n", + " PeriodicSite: Li (13.62, 0.1095, 17.18) [0.6703, 0.005384, 0.8456]\n", + " PeriodicSite: Li (11.24, 10.84, 8.053) [0.5535, 0.5336, 0.3965]\n", + " PeriodicSite: Li (13.91, 15.27, 18.17) [0.685, 0.752, 0.8947]\n", + " PeriodicSite: Li (6.544, 2.087, 5.105) [0.3221, 0.1028, 0.2513]\n", + " PeriodicSite: Li (1.849, 20.06, 1.492) [0.09102, 0.9877, 0.07345]\n", + " PeriodicSite: Li (4.793, 13.54, 8.87) [0.2359, 0.6666, 0.4367]\n", + " PeriodicSite: Li (0.4611, 17.81, 14.34) [0.0227, 0.877, 0.706]\n", + " PeriodicSite: Li (14.6, 3.874, 7.724) [0.7186, 0.1907, 0.3803]\n", + " PeriodicSite: Li (14.51, 3.091, 18.95) [0.7146, 0.1522, 0.933]\n", + " PeriodicSite: Li (16.77, 15.2, 8.177) [0.8254, 0.7481, 0.4026]\n", + " PeriodicSite: Li (13.65, 13.69, 0.6612) [0.672, 0.6742, 0.03256]\n", + " PeriodicSite: Li (5.497, 0.3761, 2.899) [0.2706, 0.01851, 0.1427]\n", + " PeriodicSite: Li (4.172, 2.463, 19.44) [0.2054, 0.1212, 0.957]\n", + " PeriodicSite: Li (2.248, 13.83, 5.694) [0.1106, 0.681, 0.2803]\n", + " PeriodicSite: Li (18.75, 10.01, 2.464) [0.923, 0.4929, 0.1213]\n", + " PeriodicSite: Li (10.31, 2.714, 7.616) [0.5077, 0.1336, 0.375]\n", + " PeriodicSite: Li (17.64, 0.3511, 16.44) [0.8685, 0.01728, 0.8094]\n", + " PeriodicSite: Li (15.06, 11.48, 7.38) [0.7412, 0.565, 0.3633]\n", + " PeriodicSite: Li (15.07, 11.57, 17.29) [0.7421, 0.5698, 0.8512]\n", + " PeriodicSite: Li (4.373, 11.14, 17.38) [0.2153, 0.5483, 0.8556]\n", + " PeriodicSite: Li (1.844, 10.24, 8.884) [0.0908, 0.5041, 0.4374]\n", + " PeriodicSite: Li (3.165, 17.38, 0.368) [0.1558, 0.8555, 0.01812]\n", + " PeriodicSite: Li (2.047, 0.2381, 8.91) [0.1008, 0.01172, 0.4387]\n", + " PeriodicSite: Li (13.4, 5.403, 2.267) [0.6595, 0.266, 0.1116]\n", + " PeriodicSite: Li (12.82, 10.23, 15.4) [0.6314, 0.5035, 0.7584]\n", + " PeriodicSite: Li (11.81, 14.59, 6.832) [0.5816, 0.7182, 0.3363]\n", + " PeriodicSite: Li (14.79, 18.22, 13.78) [0.7281, 0.8968, 0.6785]\n", + " PeriodicSite: Li (3.127, 5.232, 1.251) [0.1539, 0.2576, 0.06161]\n", + " PeriodicSite: Li (2.554, 5.016, 11.74) [0.1257, 0.247, 0.5778]\n", + " PeriodicSite: Li (6.394, 17.41, 19.88) [0.3148, 0.8571, 0.9786]\n", + " PeriodicSite: Li (3.53, 18.74, 14.53) [0.1738, 0.9225, 0.7152]\n", + " PeriodicSite: Li (16.38, 6.43, 1.362) [0.8066, 0.3166, 0.06706]\n", + " PeriodicSite: Li (10.52, 6.927, 13.37) [0.5178, 0.341, 0.6583]\n", + " PeriodicSite: Li (12.62, 18.6, 4.717) [0.6214, 0.9156, 0.2322]\n", + " PeriodicSite: Li (11.74, 17.33, 14.74) [0.5778, 0.8531, 0.7258]\n", + " PeriodicSite: Li (2.063, 8.763, 0.6302) [0.1016, 0.4314, 0.03103]\n", + " PeriodicSite: Li (4.589, 7.315, 10.52) [0.2259, 0.3601, 0.5177]\n", + " PeriodicSite: Li (3.988, 15.81, 2.412) [0.1963, 0.7784, 0.1187]\n", + " PeriodicSite: Li (2.335, 16.25, 10.8) [0.115, 0.8001, 0.5315]\n", + " PeriodicSite: Li (11.03, 9.863, 2.014) [0.5432, 0.4856, 0.09914]\n", + " PeriodicSite: Li (12.26, 6.785, 15.28) [0.6037, 0.334, 0.7522]\n", + " PeriodicSite: Li (12.35, 15.32, 3.19) [0.6079, 0.7544, 0.1571]\n", + " PeriodicSite: Li (13.4, 15.58, 11.86) [0.6597, 0.7668, 0.5837]\n", + " PeriodicSite: Li (0.6133, 6.584, 3.757) [0.03019, 0.3241, 0.185]\n", + " PeriodicSite: Li (17.29, 5.559, 9.581) [0.8512, 0.2737, 0.4717]\n", + " PeriodicSite: Li (1.917, 17.17, 4.93) [0.09436, 0.8454, 0.2427]\n", + " PeriodicSite: Li (20.26, 18.16, 10.82) [0.9974, 0.8942, 0.5325]\n", + " PeriodicSite: Li (10.58, 6.967, 3.27) [0.5209, 0.343, 0.161]\n", + " PeriodicSite: Li (14.72, 8.754, 13.72) [0.7245, 0.431, 0.6755]\n", + " PeriodicSite: Li (13.07, 17.26, 0.2261) [0.6433, 0.8499, 0.01113]\n", + " PeriodicSite: Li (9.658, 14.97, 17.08) [0.4755, 0.7371, 0.8409]\n", + " PeriodicSite: Li (4.987, 7.952, 3.938) [0.2455, 0.3915, 0.1939]\n", + " PeriodicSite: Li (0.5497, 8.786, 12.34) [0.02706, 0.4326, 0.6077]\n", + " PeriodicSite: Li (0.5287, 17.5, 2.301) [0.02602, 0.8616, 0.1133]\n", + " PeriodicSite: Li (2.099, 19.8, 12.21) [0.1033, 0.975, 0.6009]\n", + " PeriodicSite: Li (15.13, 10.52, 3.061) [0.7448, 0.5178, 0.1507]\n", + " PeriodicSite: Li (13.16, 7.364, 10.56) [0.648, 0.3625, 0.5199]\n", + " PeriodicSite: Li (12.04, 19.96, 1.245) [0.5929, 0.9824, 0.06128]\n", + " PeriodicSite: Li (14.0, 17.1, 9.549) [0.6893, 0.8418, 0.4701]\n", + " PeriodicSite: Li (5.831, 4.501, 2.348) [0.2871, 0.2216, 0.1156]\n", + " PeriodicSite: Li (4.546, 8.456, 13.64) [0.2238, 0.4163, 0.6717]\n", + " PeriodicSite: Li (5.199, 18.18, 3.307) [0.256, 0.8948, 0.1628]\n", + " PeriodicSite: Li (2.663, 15.65, 14.06) [0.1311, 0.7706, 0.6924]\n", + " PeriodicSite: Li (13.15, 11.45, 5.38) [0.6474, 0.5635, 0.2649]\n", + " PeriodicSite: Li (14.39, 5.394, 12.62) [0.7086, 0.2655, 0.6211]\n", + " PeriodicSite: Li (15.0, 16.86, 2.319) [0.7383, 0.8299, 0.1142]\n", + " PeriodicSite: Li (15.61, 2.207, 14.51) [0.7686, 0.1086, 0.7145]\n", + " PeriodicSite: Li (9.844, 3.627, 3.02) [0.4846, 0.1786, 0.1487]\n", + " PeriodicSite: Li (9.526, 3.662, 13.41) [0.469, 0.1803, 0.6603]\n", + " PeriodicSite: Li (5.079, 10.89, 2.879) [0.25, 0.5359, 0.1417]\n", + " PeriodicSite: Li (3.526, 11.21, 14.11) [0.1736, 0.552, 0.6946]\n", + " PeriodicSite: Li (16.91, 1.759, 4.655) [0.8327, 0.0866, 0.2292]\n", + " PeriodicSite: Li (12.64, 4.277, 9.506) [0.6221, 0.2106, 0.468]\n", + " PeriodicSite: Li (19.12, 12.47, 0.2692) [0.9414, 0.614, 0.01326]\n", + " PeriodicSite: Li (17.23, 10.52, 12.85) [0.8484, 0.5177, 0.6324]\n", + " PeriodicSite: Li (6.858, 18.77, 5.67) [0.3376, 0.9239, 0.2791]\n", + " PeriodicSite: Li (7.125, 1.367, 15.06) [0.3508, 0.06729, 0.7414]\n", + " PeriodicSite: Li (8.841, 12.56, 0.8308) [0.4352, 0.6183, 0.04091]\n", + " PeriodicSite: Li (9.153, 14.01, 12.42) [0.4506, 0.6899, 0.6114]\n", + " PeriodicSite: Li (14.77, 20.3, 3.058) [0.7273, 0.9992, 0.1506]\n", + " PeriodicSite: Li (19.67, 2.014, 11.57) [0.9685, 0.09913, 0.5694]\n", + " PeriodicSite: Li (18.22, 14.06, 4.699) [0.8968, 0.692, 0.2314]\n", + " PeriodicSite: Li (17.23, 15.14, 12.24) [0.8482, 0.7456, 0.6027]\n", + " PeriodicSite: Li (8.495, 5.654, 6.084) [0.4182, 0.2784, 0.2995]\n", + " PeriodicSite: Li (8.284, 0.1895, 12.18) [0.4078, 0.009324, 0.5997]\n", + " PeriodicSite: Li (9.196, 13.33, 3.752) [0.4527, 0.6563, 0.1847]\n", + " PeriodicSite: Li (5.668, 14.33, 12.03) [0.279, 0.7055, 0.592]\n", + " PeriodicSite: Li (0.1435, 2.166, 1.919) [0.007065, 0.1067, 0.09447]\n", + " PeriodicSite: Li (18.45, 4.984, 13.4) [0.9085, 0.2454, 0.6595]\n", + " PeriodicSite: Li (17.26, 14.9, 1.596) [0.8499, 0.7334, 0.07857]\n", + " PeriodicSite: Li (14.82, 12.13, 13.49) [0.7295, 0.597, 0.664]\n", + " PeriodicSite: Li (3.018, 19.98, 4.063) [0.1486, 0.9839, 0.2]\n", + " PeriodicSite: Li (5.124, 1.67, 13.27) [0.2522, 0.08219, 0.6534]\n", + " PeriodicSite: Li (5.373, 12.94, 0.9456) [0.2645, 0.6373, 0.04655]\n", + " PeriodicSite: Li (7.671, 7.423, 15.32) [0.3777, 0.3654, 0.754]\n", + " PeriodicSite: Li (18.58, 4.334, 3.43) [0.9147, 0.2134, 0.1689]\n", + " PeriodicSite: Li (17.16, 20.29, 13.34) [0.8447, 0.9987, 0.6569]\n", + " PeriodicSite: Li (16.43, 14.09, 19.41) [0.809, 0.6936, 0.9555]\n", + " PeriodicSite: Li (19.79, 12.32, 11.76) [0.9741, 0.6066, 0.5788]\n", + " PeriodicSite: Li (7.169, 3.188, 20.21) [0.3529, 0.157, 0.9951]\n", + " PeriodicSite: Li (5.419, 2.733, 10.5) [0.2668, 0.1345, 0.5171]\n", + " PeriodicSite: Li (7.734, 10.3, 2.228) [0.3808, 0.507, 0.1097]\n", + " PeriodicSite: Li (8.393, 11.69, 10.05) [0.4132, 0.5754, 0.4949]\n", + " PeriodicSite: Li (15.53, 3.174, 1.948) [0.7647, 0.1563, 0.09588]\n", + " PeriodicSite: Li (15.66, 2.945, 11.0) [0.7708, 0.145, 0.5413]\n", + " PeriodicSite: Li (0.6068, 11.15, 17.92) [0.02987, 0.5487, 0.8822]\n", + " PeriodicSite: Li (19.89, 13.6, 13.95) [0.9792, 0.6698, 0.6869]\n", + " PeriodicSite: Li (8.693, 0.6792, 1.451) [0.428, 0.03343, 0.07145]\n", + " PeriodicSite: Li (8.548, 2.456, 10.52) [0.4208, 0.1209, 0.5181]\n", + " PeriodicSite: Li (6.9, 11.95, 5.035) [0.3397, 0.5884, 0.2479]\n", + " PeriodicSite: Li (4.708, 17.03, 11.88) [0.2318, 0.8383, 0.5849]\n", + " PeriodicSite: Li (17.72, 4.2, 0.4904) [0.8724, 0.2068, 0.02415]\n", + " PeriodicSite: Li (1.945, 6.596, 14.83) [0.09576, 0.3247, 0.7299]\n", + " PeriodicSite: Li (3.019, 15.29, 8.202) [0.1486, 0.753, 0.4038]\n", + " PeriodicSite: Li (16.31, 12.93, 10.84) [0.803, 0.6366, 0.5338]\n", + " PeriodicSite: Li (13.81, 8.308, 4.864) [0.6798, 0.409, 0.2395]\n", + " PeriodicSite: Li (5.181, 8.387, 16.92) [0.2551, 0.4129, 0.8328]\n", + " PeriodicSite: Li (7.67, 16.52, 10.01) [0.3776, 0.8133, 0.4926]\n", + " PeriodicSite: Li (6.06, 14.73, 18.7) [0.2983, 0.7253, 0.9206]\n", + " PeriodicSite: Li (18.33, 9.96, 8.0) [0.9026, 0.4903, 0.3939]\n", + " PeriodicSite: Li (2.627, 4.593, 17.76) [0.1293, 0.2261, 0.8744]\n", + " PeriodicSite: Li (17.43, 19.1, 5.687) [0.858, 0.9403, 0.28]\n", + " PeriodicSite: Li (20.24, 18.9, 18.04) [0.9963, 0.9303, 0.888]\n", + " PeriodicSite: Li (7.486, 8.987, 5.887) [0.3685, 0.4424, 0.2898]\n", + " PeriodicSite: Li (9.457, 5.777, 17.56) [0.4656, 0.2844, 0.8646]\n", + " PeriodicSite: Li (8.123, 19.97, 8.229) [0.3999, 0.9833, 0.4051]\n", + " PeriodicSite: Li (6.692, 18.63, 14.27) [0.3295, 0.917, 0.7026]\n", + " PeriodicSite: Li (18.09, 8.275, 10.28) [0.8907, 0.4074, 0.5061]\n", + " PeriodicSite: Li (19.12, 3.825, 16.68) [0.9414, 0.1883, 0.8213]\n", + " PeriodicSite: Li (17.87, 19.79, 8.102) [0.8797, 0.9741, 0.3989]\n", + " PeriodicSite: Li (18.05, 15.67, 16.9) [0.8885, 0.7715, 0.8322]\n", + " PeriodicSite: Li (6.733, 5.035, 8.997) [0.3315, 0.2479, 0.4429]\n", + " PeriodicSite: Li (5.951, 5.742, 17.68) [0.293, 0.2827, 0.8703]\n", + " PeriodicSite: Li (9.889, 17.91, 9.625) [0.4869, 0.8817, 0.4738]\n", + " PeriodicSite: Li (11.92, 13.32, 15.34) [0.5869, 0.6558, 0.7552]\n", + " PeriodicSite: Li (20.26, 7.285, 8.293) [0.9973, 0.3586, 0.4083]\n", + " PeriodicSite: Li (19.6, 7.746, 16.94) [0.965, 0.3813, 0.834]\n", + " PeriodicSite: Li (17.1, 17.28, 9.857) [0.8419, 0.8509, 0.4853]\n", + " PeriodicSite: Li (16.15, 17.26, 19.48) [0.7952, 0.8498, 0.9589]\n", + " PeriodicSite: Li (8.769, 7.993, 9.503) [0.4317, 0.3935, 0.4678]\n", + " PeriodicSite: Li (6.616, 7.335, 20.11) [0.3257, 0.3611, 0.99]\n", + " PeriodicSite: Li (5.579, 17.04, 7.923) [0.2746, 0.839, 0.39]\n", + " PeriodicSite: Li (7.025, 14.97, 1.862) [0.3459, 0.7369, 0.09166]\n", + " PeriodicSite: Li (15.56, 6.949, 8.221) [0.7659, 0.3421, 0.4047]\n", + " PeriodicSite: Li (18.27, 9.473, 19.66) [0.8995, 0.4663, 0.968]\n", + " PeriodicSite: Li (15.24, 18.14, 6.62) [0.7502, 0.8931, 0.3259]\n", + " PeriodicSite: Li (15.64, 18.22, 16.45) [0.77, 0.8968, 0.8101]\n", + " PeriodicSite: Li (6.84, 4.758, 11.83) [0.3367, 0.2342, 0.5826]\n", + " PeriodicSite: Li (7.425, 10.03, 17.54) [0.3656, 0.4939, 0.8635]\n", + " PeriodicSite: Li (10.1, 17.5, 6.645) [0.497, 0.8617, 0.3271]\n", + " PeriodicSite: Li (10.34, 17.09, 2.388) [0.5089, 0.8416, 0.1176]\n", + " PeriodicSite: Li (16.89, 8.559, 5.744) [0.8316, 0.4214, 0.2828]\n", + " PeriodicSite: Li (16.0, 5.934, 18.45) [0.7878, 0.2921, 0.9083]\n", + " PeriodicSite: Li (19.7, 16.82, 6.822) [0.9697, 0.828, 0.3359]\n", + " PeriodicSite: Li (17.92, 0.4474, 1.246) [0.8821, 0.02202, 0.06135]\n", + " PeriodicSite: Li (2.693, 9.12, 4.906) [0.1326, 0.449, 0.2415]\n", + " PeriodicSite: Li (9.533, 8.223, 18.98) [0.4693, 0.4048, 0.9344]\n", + " PeriodicSite: Li (8.128, 15.41, 7.042) [0.4001, 0.7588, 0.3467]\n", + " PeriodicSite: Li (6.838, 19.89, 17.79) [0.3366, 0.9794, 0.8758]\n", + " PeriodicSite: Li (18.1, 5.841, 5.956) [0.8913, 0.2876, 0.2932]\n", + " PeriodicSite: Li (17.16, 12.39, 15.3) [0.845, 0.61, 0.7533]\n", + " PeriodicSite: Li (20.26, 13.11, 2.855) [0.9976, 0.6456, 0.1406]\n", + " PeriodicSite: Li (13.12, 0.07479, 13.88) [0.6457, 0.003677, 0.6835]\n", + " PeriodicSite: Cl (7.197, 12.72, 13.06) [0.3543, 0.6263, 0.6428]\n", + " PeriodicSite: Cl (2.537, 12.78, 17.69) [0.1249, 0.629, 0.871]\n", + " PeriodicSite: Cl (12.85, 18.02, 12.75) [0.6324, 0.8871, 0.6275]\n", + " PeriodicSite: Cl (17.71, 7.781, 18.06) [0.8718, 0.3831, 0.889]\n", + " PeriodicSite: Cl (7.281, 2.46, 2.471) [0.3585, 0.1211, 0.1216]\n", + " PeriodicSite: Cl (7.521, 7.568, 7.72) [0.3703, 0.3726, 0.3801]\n", + " PeriodicSite: Cl (12.71, 12.51, 7.364) [0.6255, 0.6158, 0.3625]\n", + " PeriodicSite: Cl (2.213, 7.762, 2.69) [0.1089, 0.3821, 0.1324]\n", + " PeriodicSite: Cl (2.566, 7.613, 12.45) [0.1263, 0.3748, 0.613]\n", + " PeriodicSite: Cl (12.72, 12.9, 17.62) [0.6264, 0.6353, 0.8673]\n", + " PeriodicSite: Cl (17.53, 17.62, 17.82) [0.8632, 0.8673, 0.8771]\n", + " PeriodicSite: Cl (2.181, 2.414, 7.079) [0.1074, 0.1188, 0.3485]\n", + " PeriodicSite: Cl (12.59, 2.629, 17.92) [0.6198, 0.1294, 0.8823]\n", + " PeriodicSite: Cl (12.67, 7.746, 2.72) [0.6238, 0.3813, 0.1339]\n", + " PeriodicSite: Cl (17.59, 2.474, 13.06) [0.8658, 0.1218, 0.6427]\n", + " PeriodicSite: Cl (7.978, 18.01, 17.64) [0.3928, 0.8865, 0.8686]\n", + " PeriodicSite: Cl (0.05918, 20.14, 20.11) [0.00291, 0.9916, 0.9899]\n", + " PeriodicSite: Cl (0.3419, 0.04571, 10.52) [0.01684, 0.002251, 0.5178]\n", + " PeriodicSite: Cl (0.01431, 10.17, 20.15) [0.0007051, 0.5007, 0.9918]\n", + " PeriodicSite: Cl (20.1, 9.755, 9.897) [0.9894, 0.4803, 0.4872]\n", + " PeriodicSite: Cl (10.06, 20.19, 20.04) [0.4954, 0.9941, 0.9866]\n", + " PeriodicSite: Cl (9.707, 0.1304, 10.19) [0.4779, 0.006415, 0.5018]\n", + " PeriodicSite: Cl (9.611, 9.972, 0.01706) [0.4732, 0.4909, 0.0008431]\n", + " PeriodicSite: Cl (10.03, 10.15, 10.22) [0.4936, 0.4995, 0.5029]\n", + " PeriodicSite: Cl (20.03, 4.746, 5.268) [0.9862, 0.2337, 0.2594]\n", + " PeriodicSite: Cl (0.277, 5.147, 15.6) [0.01364, 0.2534, 0.7678]\n", + " PeriodicSite: Cl (0.06658, 15.57, 4.802) [0.003272, 0.7664, 0.2364]\n", + " PeriodicSite: Cl (19.92, 15.47, 15.31) [0.9808, 0.7614, 0.7539]\n", + " PeriodicSite: Cl (10.61, 4.995, 4.807) [0.5225, 0.2459, 0.2367]\n", + " PeriodicSite: Cl (10.48, 5.243, 15.2) [0.5158, 0.2581, 0.7483]\n", + " PeriodicSite: Cl (10.05, 15.45, 5.664) [0.4948, 0.7608, 0.2789]\n", + " PeriodicSite: Cl (10.62, 15.22, 14.72) [0.5228, 0.7494, 0.7246]\n", + " PeriodicSite: S (5.189, 0.001953, 5.125) [0.2554, 9.416e-05, 0.2523]\n", + " PeriodicSite: S (5.254, 20.31, 15.37) [0.2587, 0.9998, 0.7567]\n", + " PeriodicSite: S (5.429, 9.912, 5.433) [0.2673, 0.488, 0.2675]\n", + " PeriodicSite: S (5.226, 10.05, 15.21) [0.2573, 0.4947, 0.7488]\n", + " PeriodicSite: S (15.26, 20.07, 5.162) [0.7512, 0.9882, 0.2542]\n", + " PeriodicSite: S (15.14, 20.09, 15.33) [0.7452, 0.9891, 0.7548]\n", + " PeriodicSite: S (15.4, 10.24, 5.269) [0.7581, 0.5041, 0.2594]\n", + " PeriodicSite: S (15.28, 10.53, 15.24) [0.7521, 0.5184, 0.7501]\n", + " PeriodicSite: S (5.215, 4.77, 20.3) [0.2567, 0.2348, 0.9996]\n", + " PeriodicSite: S (4.96, 5.007, 10.25) [0.2442, 0.2465, 0.5045]\n", + " PeriodicSite: S (4.867, 15.29, 0.2332) [0.2396, 0.7526, 0.01149]\n", + " PeriodicSite: S (4.435, 15.35, 10.1) [0.2183, 0.7559, 0.4971]\n", + " PeriodicSite: S (15.07, 5.061, 0.04567) [0.7419, 0.2491, 0.002253]\n", + " PeriodicSite: S (15.1, 5.161, 10.15) [0.7433, 0.2541, 0.4995]\n", + " PeriodicSite: S (15.21, 15.47, 0.2459) [0.749, 0.7617, 0.01211]\n", + " PeriodicSite: S (15.49, 15.4, 10.21) [0.7626, 0.7581, 0.5028]\n", + " PeriodicSite: S (8.806, 4.015, 8.706) [0.4335, 0.1977, 0.4286]\n", + " PeriodicSite: S (9.187, 3.69, 19.13) [0.4523, 0.1817, 0.9419]\n", + " PeriodicSite: S (8.903, 14.18, 9.031) [0.4383, 0.698, 0.4446]\n", + " PeriodicSite: S (8.814, 13.97, 19.09) [0.4339, 0.6876, 0.9397]\n", + " PeriodicSite: S (18.93, 3.715, 9.326) [0.9318, 0.1829, 0.4591]\n", + " PeriodicSite: S (19.49, 3.795, 19.23) [0.9595, 0.1868, 0.9466]\n", + " PeriodicSite: S (19.11, 14.02, 8.998) [0.9409, 0.6901, 0.443]\n", + " PeriodicSite: S (18.86, 14.35, 18.9) [0.9283, 0.7067, 0.9306]\n", + " PeriodicSite: S (3.716, 1.047, 1.313) [0.183, 0.05153, 0.06465]\n", + " PeriodicSite: S (3.714, 0.8774, 11.38) [0.1828, 0.0432, 0.5604]\n", + " PeriodicSite: S (3.559, 11.27, 0.9987) [0.1752, 0.5547, 0.04917]\n", + " PeriodicSite: S (3.707, 10.85, 11.38) [0.1825, 0.5344, 0.5602]\n", + " PeriodicSite: S (14.01, 1.261, 1.288) [0.6896, 0.06207, 0.06341]\n", + " PeriodicSite: S (13.97, 1.145, 11.46) [0.6878, 0.05635, 0.5642]\n", + " PeriodicSite: S (13.96, 11.52, 1.064) [0.6875, 0.5669, 0.05238]\n", + " PeriodicSite: S (14.28, 11.84, 11.11) [0.7031, 0.5827, 0.5468]\n", + " PeriodicSite: S (6.106, 1.087, 8.957) [0.3006, 0.05352, 0.4409]\n", + " PeriodicSite: S (6.134, 1.287, 19.32) [0.302, 0.06335, 0.9512]\n", + " PeriodicSite: S (6.172, 11.6, 8.87) [0.3039, 0.5709, 0.4367]\n", + " PeriodicSite: S (6.051, 11.32, 19.05) [0.2979, 0.5571, 0.9378]\n", + " PeriodicSite: S (16.21, 1.155, 8.833) [0.7979, 0.05684, 0.4348]\n", + " PeriodicSite: S (16.25, 1.339, 19.2) [0.8, 0.06593, 0.9454]\n", + " PeriodicSite: S (16.64, 10.89, 9.044) [0.8194, 0.5363, 0.4452]\n", + " PeriodicSite: S (16.64, 11.82, 19.35) [0.819, 0.5819, 0.9528]\n", + " PeriodicSite: S (1.387, 3.85, 1.296) [0.06831, 0.1895, 0.06381]\n", + " PeriodicSite: S (0.4648, 4.14, 12.22) [0.02289, 0.2038, 0.6017]\n", + " PeriodicSite: S (0.9549, 13.98, 0.8041) [0.047, 0.6882, 0.03959]\n", + " PeriodicSite: S (0.8204, 14.22, 11.57) [0.04039, 0.7001, 0.5698]\n", + " PeriodicSite: S (11.52, 3.93, 1.27) [0.5671, 0.1935, 0.06251]\n", + " PeriodicSite: S (10.94, 3.558, 11.29) [0.5385, 0.1752, 0.5558]\n", + " PeriodicSite: S (10.88, 14.33, 1.436) [0.5356, 0.7053, 0.07069]\n", + " PeriodicSite: S (11.78, 13.83, 10.96) [0.5797, 0.6808, 0.5396]\n", + " PeriodicSite: S (2.769, 2.468, 17.39) [0.1363, 0.1215, 0.8561]\n", + " PeriodicSite: S (2.686, 12.83, 7.816) [0.1322, 0.6317, 0.3848]\n", + " PeriodicSite: S (12.51, 2.654, 7.5) [0.616, 0.1307, 0.3692]\n", + " PeriodicSite: S (9.028, 9.075, 3.816) [0.4445, 0.4468, 0.1879]\n", + " PeriodicSite: S (9.12, 8.996, 13.93) [0.449, 0.4429, 0.6856]\n", + " PeriodicSite: S (8.564, 19.07, 4.041) [0.4216, 0.9391, 0.1989]\n", + " PeriodicSite: S (9.211, 19.22, 14.06) [0.4535, 0.9463, 0.6922]\n", + " PeriodicSite: S (18.92, 8.823, 4.661) [0.9314, 0.4344, 0.2294]\n", + " PeriodicSite: S (18.74, 9.045, 14.29) [0.9228, 0.4453, 0.7037]\n", + " PeriodicSite: S (18.98, 18.85, 3.405) [0.9346, 0.9281, 0.1676]\n", + " PeriodicSite: S (18.87, 19.44, 14.79) [0.9289, 0.9568, 0.7283]\n", + " PeriodicSite: S (3.855, 6.449, 6.119) [0.1898, 0.3175, 0.3012]\n", + " PeriodicSite: S (3.944, 6.314, 16.09) [0.1941, 0.3108, 0.7919]\n", + " PeriodicSite: S (4.077, 16.46, 6.088) [0.2007, 0.8105, 0.2997]\n", + " PeriodicSite: S (3.703, 16.52, 16.0) [0.1823, 0.8135, 0.7878]\n", + " PeriodicSite: S (14.34, 5.829, 6.164) [0.706, 0.287, 0.3035]\n", + " PeriodicSite: S (14.28, 6.373, 16.61) [0.7029, 0.3138, 0.8177]\n", + " PeriodicSite: S (14.08, 16.4, 6.188) [0.6931, 0.8074, 0.3046]\n", + " PeriodicSite: S (13.76, 16.77, 16.11) [0.6772, 0.8256, 0.7933]\n", + " PeriodicSite: S (6.647, 6.042, 4.311) [0.3272, 0.2975, 0.2122]\n", + " PeriodicSite: S (6.04, 6.582, 13.45) [0.2974, 0.324, 0.6621]\n", + " PeriodicSite: S (6.393, 16.12, 3.814) [0.3147, 0.7934, 0.1878]\n", + " PeriodicSite: S (6.026, 16.26, 13.67) [0.2967, 0.8003, 0.6728]\n", + " PeriodicSite: S (16.45, 6.417, 3.73) [0.8098, 0.3159, 0.1837]\n", + " PeriodicSite: S (16.62, 6.387, 14.43) [0.8182, 0.3144, 0.7106]\n", + " PeriodicSite: S (16.58, 16.09, 3.804) [0.8161, 0.792, 0.1873]\n", + " PeriodicSite: S (16.39, 16.36, 14.02) [0.8069, 0.8053, 0.6905]\n", + " PeriodicSite: S (1.123, 9.059, 6.765) [0.0553, 0.446, 0.3331]\n", + " PeriodicSite: S (1.105, 9.202, 16.15) [0.05442, 0.453, 0.7951]\n", + " PeriodicSite: S (0.9201, 18.88, 5.936) [0.04529, 0.9296, 0.2922]\n", + " PeriodicSite: S (1.426, 19.46, 16.32) [0.07019, 0.9581, 0.8035]\n", + " PeriodicSite: S (11.75, 9.292, 6.162) [0.5786, 0.4574, 0.3034]\n", + " PeriodicSite: S (11.35, 9.306, 16.83) [0.5586, 0.4581, 0.8284]\n", + " PeriodicSite: S (11.23, 19.57, 6.24) [0.5529, 0.9636, 0.3072]\n", + " PeriodicSite: S (11.44, 19.57, 16.54) [0.5633, 0.9633, 0.8143]\n", + " PeriodicSite: S (2.953, 17.96, 2.608) [0.1454, 0.8844, 0.1284]\n", + " PeriodicSite: S (2.2, 17.48, 12.77) [0.1083, 0.8605, 0.6286]\n", + " PeriodicSite: S (12.7, 7.701, 13.05) [0.6251, 0.3791, 0.6425]\n", + " PeriodicSite: S (12.42, 17.54, 2.403) [0.6113, 0.8634, 0.1183]\n", + " PeriodicSite: S (4.334, 3.741, 4.161) [0.2133, 0.1842, 0.2049]\n", + " PeriodicSite: S (3.919, 4.0, 13.87) [0.1929, 0.1969, 0.683]\n", + " PeriodicSite: S (3.907, 13.91, 4.196) [0.1924, 0.6848, 0.2066]\n", + " PeriodicSite: S (3.883, 13.76, 14.03) [0.1911, 0.6775, 0.6905]\n", + " PeriodicSite: S (14.46, 3.752, 3.791) [0.7117, 0.1847, 0.1866]\n", + " PeriodicSite: S (14.19, 3.886, 14.32) [0.6987, 0.1913, 0.7051]\n", + " PeriodicSite: S (14.01, 13.78, 3.889) [0.6898, 0.6786, 0.1914]\n", + " PeriodicSite: S (13.83, 14.24, 14.06) [0.6808, 0.7008, 0.6924]\n", + " PeriodicSite: S (8.921, 1.548, 6.13) [0.4392, 0.07619, 0.3018]\n", + " PeriodicSite: S (8.893, 1.209, 16.58) [0.4378, 0.05953, 0.8162]\n", + " PeriodicSite: S (9.137, 10.9, 6.534) [0.4498, 0.5366, 0.3217]\n", + " PeriodicSite: S (8.908, 11.62, 16.26) [0.4385, 0.572, 0.8007]\n", + " PeriodicSite: S (18.88, 0.7394, 6.099) [0.9297, 0.03639, 0.3003]\n", + " PeriodicSite: S (19.47, 1.533, 17.01) [0.9587, 0.07547, 0.8374]\n", + " PeriodicSite: S (19.01, 11.62, 6.635) [0.9357, 0.5719, 0.3266]\n", + " PeriodicSite: S (19.25, 11.71, 16.38) [0.9477, 0.5766, 0.8062]\n", + " PeriodicSite: S (1.169, 0.9962, 3.859) [0.05755, 0.04904, 0.19]\n", + " PeriodicSite: S (0.6816, 1.379, 13.94) [0.03356, 0.06788, 0.6863]\n", + " PeriodicSite: S (1.221, 11.11, 4.266) [0.06012, 0.5472, 0.21]\n", + " PeriodicSite: S (0.9811, 11.34, 13.66) [0.0483, 0.5581, 0.6723]\n", + " PeriodicSite: S (10.83, 1.021, 3.273) [0.5334, 0.05028, 0.1612]\n", + " PeriodicSite: S (11.26, 1.657, 14.15) [0.5542, 0.08159, 0.6968]\n", + " PeriodicSite: S (11.03, 11.62, 3.772) [0.5432, 0.5721, 0.1857]\n", + " PeriodicSite: S (11.28, 11.55, 14.15) [0.5553, 0.5684, 0.6968]\n", + " PeriodicSite: S (5.987, 3.98, 6.998) [0.2948, 0.1959, 0.3445]\n", + " PeriodicSite: S (6.589, 4.202, 15.66) [0.3244, 0.2069, 0.771]\n", + " PeriodicSite: S (6.199, 13.96, 6.595) [0.3052, 0.6874, 0.3247]\n", + " PeriodicSite: S (6.339, 14.34, 16.47) [0.3121, 0.7058, 0.8108]\n", + " PeriodicSite: S (16.87, 3.821, 6.185) [0.8306, 0.1881, 0.3045]\n", + " PeriodicSite: S (16.63, 4.047, 16.89) [0.8186, 0.1993, 0.8317]\n", + " PeriodicSite: S (16.39, 13.81, 6.092) [0.8068, 0.6797, 0.2999]\n", + " PeriodicSite: S (16.0, 14.49, 16.61) [0.7878, 0.7132, 0.8177]\n", + " PeriodicSite: S (7.323, 2.322, 12.47) [0.3605, 0.1143, 0.6141]\n", + " PeriodicSite: S (7.297, 12.57, 2.5) [0.3593, 0.6187, 0.1231]\n", + " PeriodicSite: S (17.8, 2.402, 2.244) [0.8763, 0.1183, 0.1105]\n", + " PeriodicSite: S (18.08, 12.52, 2.543) [0.8902, 0.6162, 0.1252]\n", + " PeriodicSite: S (17.74, 12.89, 12.88) [0.8736, 0.6344, 0.6343]\n", + " PeriodicSite: S (3.955, 8.932, 8.787) [0.1947, 0.4397, 0.4326]\n", + " PeriodicSite: S (3.659, 9.102, 18.78) [0.1801, 0.4481, 0.9244]\n", + " PeriodicSite: S (3.751, 18.94, 8.986) [0.1847, 0.9325, 0.4424]\n", + " PeriodicSite: S (4.398, 18.87, 19.14) [0.2165, 0.9291, 0.9421]\n", + " PeriodicSite: S (13.83, 9.111, 8.778) [0.6811, 0.4485, 0.4321]\n", + " PeriodicSite: S (14.18, 9.563, 18.73) [0.6981, 0.4708, 0.9223]\n", + " PeriodicSite: S (13.6, 19.41, 8.842) [0.6696, 0.9554, 0.4353]\n", + " PeriodicSite: S (13.59, 19.28, 19.33) [0.6691, 0.9493, 0.9516]\n", + " PeriodicSite: S (8.951, 6.147, 1.385) [0.4407, 0.3026, 0.0682]\n", + " PeriodicSite: S (8.794, 6.31, 11.37) [0.433, 0.3106, 0.5596]\n", + " PeriodicSite: S (8.612, 16.81, 0.8803) [0.424, 0.8274, 0.04334]\n", + " PeriodicSite: S (9.55, 16.3, 11.52) [0.4702, 0.8025, 0.5672]\n", + " PeriodicSite: S (19.1, 6.102, 1.255) [0.9401, 0.3004, 0.06179]\n", + " PeriodicSite: S (18.98, 6.516, 11.56) [0.9342, 0.3208, 0.569]\n", + " PeriodicSite: S (18.98, 16.55, 0.8223) [0.9345, 0.8146, 0.04049]\n", + " PeriodicSite: S (18.77, 16.6, 11.37) [0.9242, 0.8171, 0.5599]\n", + " PeriodicSite: S (1.317, 5.77, 9.476) [0.06482, 0.2841, 0.4665]\n", + " PeriodicSite: S (1.504, 6.28, 19.48) [0.07404, 0.3092, 0.9589]\n", + " PeriodicSite: S (0.7035, 16.64, 9.012) [0.03463, 0.8193, 0.4436]\n", + " PeriodicSite: S (1.26, 16.4, 18.83) [0.06201, 0.8075, 0.9271]\n", + " PeriodicSite: S (11.33, 6.206, 9.109) [0.5576, 0.3055, 0.4484]\n", + " PeriodicSite: S (11.16, 6.385, 19.19) [0.5493, 0.3143, 0.9449]\n", + " PeriodicSite: S (11.45, 16.32, 8.708) [0.5639, 0.8034, 0.4287]\n", + " PeriodicSite: S (11.16, 16.26, 18.82) [0.5495, 0.8007, 0.9268]\n", + " PeriodicSite: S (5.735, 9.079, 1.456) [0.2824, 0.447, 0.07168]\n", + " PeriodicSite: S (6.403, 9.015, 11.08) [0.3152, 0.4438, 0.5456]\n", + " PeriodicSite: S (6.443, 19.18, 1.304) [0.3172, 0.9441, 0.06422]\n", + " PeriodicSite: S (6.323, 19.03, 11.37) [0.3113, 0.937, 0.5597]\n", + " PeriodicSite: S (16.35, 9.287, 1.218) [0.8048, 0.4572, 0.05997]\n", + " PeriodicSite: S (15.83, 8.873, 11.52) [0.7794, 0.4368, 0.5673]\n", + " PeriodicSite: S (16.3, 18.97, 0.9543) [0.8024, 0.934, 0.04699]\n", + " PeriodicSite: S (16.15, 18.88, 11.12) [0.795, 0.9293, 0.5474]\n", + " PeriodicSite: S (7.455, 7.703, 17.84) [0.367, 0.3792, 0.8783]\n", + " PeriodicSite: S (7.823, 17.65, 7.737) [0.3851, 0.869, 0.3809]\n", + " PeriodicSite: S (17.85, 7.5, 7.951) [0.879, 0.3692, 0.3914]\n", + " PeriodicSite: S (17.4, 17.6, 7.566) [0.8565, 0.8664, 0.3725]\n", + " PeriodicSite: P (5.198, 20.18, 0.1237) [0.2559, 0.9935, 0.006092]\n", + " PeriodicSite: P (4.988, 20.04, 10.19) [0.2456, 0.9866, 0.5016]\n", + " PeriodicSite: P (4.738, 10.12, 20.21) [0.2333, 0.498, 0.995]\n", + " PeriodicSite: P (5.129, 10.25, 9.981) [0.2525, 0.5044, 0.4914]\n", + " PeriodicSite: P (15.03, 0.1148, 20.25) [0.7401, 0.005645, 0.9969]\n", + " PeriodicSite: P (15.08, 20.18, 10.06) [0.7423, 0.9936, 0.4953]\n", + " PeriodicSite: P (15.27, 10.46, 20.22) [0.7519, 0.5151, 0.9956]\n", + " PeriodicSite: P (15.08, 10.09, 10.08) [0.7425, 0.4968, 0.4962]\n", + " PeriodicSite: P (5.187, 5.018, 5.495) [0.2554, 0.247, 0.2705]\n", + " PeriodicSite: P (5.108, 5.312, 14.81) [0.2515, 0.2615, 0.7291]\n", + " PeriodicSite: P (5.219, 15.09, 5.124) [0.2569, 0.7431, 0.2522]\n", + " PeriodicSite: P (5.007, 15.16, 15.09) [0.2465, 0.7461, 0.7427]\n", + " PeriodicSite: P (15.68, 4.853, 4.93) [0.7719, 0.2389, 0.2427]\n", + " PeriodicSite: P (15.54, 5.09, 15.49) [0.7651, 0.2506, 0.7625]\n", + " PeriodicSite: P (15.17, 15.05, 4.976) [0.747, 0.7407, 0.245]\n", + " PeriodicSite: P (15.02, 15.53, 15.16) [0.7395, 0.7648, 0.7464]\n", + " PeriodicSite: P (20.18, 20.01, 4.772) [0.9933, 0.985, 0.235]\n", + " PeriodicSite: P (20.3, 0.3444, 15.54) [0.9992, 0.01695, 0.7649]\n", + " PeriodicSite: P (20.29, 10.27, 5.552) [0.9989, 0.5055, 0.2733]\n", + " PeriodicSite: P (20.07, 10.31, 15.1) [0.9882, 0.5077, 0.7435]\n", + " PeriodicSite: P (9.851, 0.1302, 4.929) [0.485, 0.006403, 0.2427]\n", + " PeriodicSite: P (10.15, 0.2807, 15.31) [0.4998, 0.01382, 0.7535]\n", + " PeriodicSite: P (10.3, 10.18, 5.006) [0.5069, 0.5013, 0.2464]\n", + " PeriodicSite: P (10.11, 10.28, 15.27) [0.4975, 0.5062, 0.752]\n", + " PeriodicSite: P (0.2226, 5.061, 0.2008) [0.01095, 0.2492, 0.009887]\n", + " PeriodicSite: P (20.05, 5.039, 10.58) [0.987, 0.2481, 0.5208]\n", + " PeriodicSite: P (20.28, 15.42, 20.04) [0.9986, 0.759, 0.9868]\n", + " PeriodicSite: P (19.99, 15.36, 10.24) [0.9844, 0.7561, 0.5043]\n", + " PeriodicSite: P (10.19, 5.025, 0.1646) [0.5015, 0.2474, 0.008106]\n", + " PeriodicSite: P (10.07, 5.02, 10.17) [0.4957, 0.2471, 0.5006]\n", + " PeriodicSite: P (9.713, 15.39, 20.21) [0.4782, 0.7577, 0.9947]\n", + " PeriodicSite: P (10.39, 15.09, 10.16) [0.5114, 0.7431, 0.5002],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.098, 3.338, 4.624) [0.1033, 0.1643, 0.2276]\n", + " PeriodicSite: Li (2.597, 2.832, 15.55) [0.1279, 0.1394, 0.7656]\n", + " PeriodicSite: Li (3.424, 13.25, 10.02) [0.1685, 0.6521, 0.4931]\n", + " PeriodicSite: Li (1.3, 15.16, 16.81) [0.06397, 0.7462, 0.8276]\n", + " PeriodicSite: Li (14.96, 0.9157, 7.284) [0.7365, 0.04508, 0.3586]\n", + " PeriodicSite: Li (12.49, 3.639, 16.1) [0.6147, 0.1792, 0.7928]\n", + " PeriodicSite: Li (17.09, 11.69, 5.074) [0.8415, 0.5757, 0.2498]\n", + " PeriodicSite: Li (15.75, 9.03, 16.61) [0.7756, 0.4445, 0.8179]\n", + " PeriodicSite: Li (3.525, 4.712, 8.104) [0.1735, 0.232, 0.399]\n", + " PeriodicSite: Li (3.454, 0.001088, 16.91) [0.17, 5.332e-05, 0.8326]\n", + " PeriodicSite: Li (5.01, 8.207, 7.063) [0.2467, 0.404, 0.3477]\n", + " PeriodicSite: Li (7.099, 10.58, 13.36) [0.3495, 0.5211, 0.6577]\n", + " PeriodicSite: Li (12.01, 4.685, 7.005) [0.5914, 0.2306, 0.3449]\n", + " PeriodicSite: Li (13.71, 7.198, 19.79) [0.6748, 0.3544, 0.9743]\n", + " PeriodicSite: Li (10.98, 9.496, 12.06) [0.5406, 0.4675, 0.5936]\n", + " PeriodicSite: Li (9.887, 18.37, 18.82) [0.4868, 0.9042, 0.9265]\n", + " PeriodicSite: Li (4.56, 1.538, 6.754) [0.2245, 0.07572, 0.3325]\n", + " PeriodicSite: Li (5.072, 2.411, 17.27) [0.2497, 0.1187, 0.8501]\n", + " PeriodicSite: Li (4.264, 11.39, 6.832) [0.2099, 0.5608, 0.3363]\n", + " PeriodicSite: Li (6.495, 12.62, 14.85) [0.3198, 0.6213, 0.7309]\n", + " PeriodicSite: Li (12.33, 0.9875, 9.617) [0.607, 0.04861, 0.4734]\n", + " PeriodicSite: Li (10.74, 1.172, 18.72) [0.5288, 0.05771, 0.9214]\n", + " PeriodicSite: Li (13.38, 13.23, 9.767) [0.6586, 0.6516, 0.4808]\n", + " PeriodicSite: Li (11.65, 10.78, 18.18) [0.5733, 0.5309, 0.8951]\n", + " PeriodicSite: Li (19.38, 3.435, 6.946) [0.9541, 0.1691, 0.342]\n", + " PeriodicSite: Li (0.6599, 2.107, 18.51) [0.03249, 0.1037, 0.9115]\n", + " PeriodicSite: Li (20.24, 12.95, 8.141) [0.9966, 0.6374, 0.4008]\n", + " PeriodicSite: Li (3.002, 13.94, 19.43) [0.1478, 0.6863, 0.9563]\n", + " PeriodicSite: Li (13.39, 1.642, 5.51) [0.6594, 0.08083, 0.2713]\n", + " PeriodicSite: Li (13.88, 0.1024, 16.72) [0.6832, 0.005038, 0.8233]\n", + " PeriodicSite: Li (11.88, 10.1, 8.177) [0.5846, 0.4974, 0.4026]\n", + " PeriodicSite: Li (13.36, 15.05, 18.72) [0.6577, 0.7409, 0.9214]\n", + " PeriodicSite: Li (6.633, 2.307, 4.557) [0.3265, 0.1136, 0.2243]\n", + " PeriodicSite: Li (2.065, 19.75, 1.754) [0.1016, 0.9723, 0.08634]\n", + " PeriodicSite: Li (5.048, 13.56, 8.198) [0.2485, 0.6678, 0.4036]\n", + " PeriodicSite: Li (0.4154, 17.7, 14.01) [0.02044, 0.8714, 0.6896]\n", + " PeriodicSite: Li (15.22, 3.318, 8.345) [0.7493, 0.1633, 0.4108]\n", + " PeriodicSite: Li (13.83, 3.539, 19.72) [0.6808, 0.1742, 0.9707]\n", + " PeriodicSite: Li (16.53, 15.67, 7.845) [0.814, 0.7713, 0.3862]\n", + " PeriodicSite: Li (14.0, 13.61, 1.48) [0.6893, 0.6703, 0.07288]\n", + " PeriodicSite: Li (5.288, 1.094, 2.717) [0.2603, 0.05386, 0.1338]\n", + " PeriodicSite: Li (3.601, 2.95, 20.03) [0.1773, 0.1452, 0.9861]\n", + " PeriodicSite: Li (1.815, 12.92, 5.674) [0.08936, 0.6359, 0.2794]\n", + " PeriodicSite: Li (18.47, 10.23, 2.307) [0.9093, 0.5036, 0.1136]\n", + " PeriodicSite: Li (10.68, 1.851, 7.263) [0.5258, 0.09115, 0.3576]\n", + " PeriodicSite: Li (17.45, 20.18, 16.39) [0.8592, 0.9935, 0.807]\n", + " PeriodicSite: Li (14.7, 10.74, 7.177) [0.7235, 0.5288, 0.3533]\n", + " PeriodicSite: Li (14.73, 12.21, 16.93) [0.7253, 0.6011, 0.8337]\n", + " PeriodicSite: Li (4.403, 10.87, 17.41) [0.2168, 0.5349, 0.8571]\n", + " PeriodicSite: Li (2.041, 10.71, 8.937) [0.1005, 0.5272, 0.44]\n", + " PeriodicSite: Li (3.187, 17.33, 0.26) [0.1569, 0.8533, 0.0128]\n", + " PeriodicSite: Li (2.539, 0.7041, 9.231) [0.125, 0.03466, 0.4544]\n", + " PeriodicSite: Li (13.56, 5.227, 1.973) [0.6676, 0.2573, 0.09713]\n", + " PeriodicSite: Li (13.36, 9.573, 15.55) [0.6576, 0.4713, 0.7658]\n", + " PeriodicSite: Li (12.2, 14.52, 6.884) [0.6006, 0.7149, 0.3389]\n", + " PeriodicSite: Li (15.01, 18.09, 13.5) [0.7391, 0.8908, 0.6647]\n", + " PeriodicSite: Li (3.243, 6.065, 0.7497) [0.1596, 0.2986, 0.03691]\n", + " PeriodicSite: Li (2.54, 5.467, 11.53) [0.125, 0.2691, 0.5678]\n", + " PeriodicSite: Li (6.205, 17.4, 0.03919) [0.3054, 0.8568, 0.001933]\n", + " PeriodicSite: Li (4.487, 18.37, 14.31) [0.2209, 0.9045, 0.7044]\n", + " PeriodicSite: Li (16.37, 6.777, 1.565) [0.806, 0.3336, 0.07703]\n", + " PeriodicSite: Li (10.38, 6.328, 12.74) [0.5112, 0.3115, 0.6274]\n", + " PeriodicSite: Li (13.31, 18.26, 4.926) [0.655, 0.8991, 0.2425]\n", + " PeriodicSite: Li (11.52, 17.28, 14.83) [0.5672, 0.8505, 0.7301]\n", + " PeriodicSite: Li (0.945, 8.347, 1.067) [0.04652, 0.4109, 0.05254]\n", + " PeriodicSite: Li (4.842, 7.512, 10.98) [0.2384, 0.3698, 0.5408]\n", + " PeriodicSite: Li (4.013, 15.82, 2.561) [0.1976, 0.7788, 0.1261]\n", + " PeriodicSite: Li (2.334, 15.78, 11.09) [0.1149, 0.7768, 0.5461]\n", + " PeriodicSite: Li (10.97, 9.416, 2.072) [0.5403, 0.4636, 0.102]\n", + " PeriodicSite: Li (12.02, 6.856, 15.08) [0.5919, 0.3375, 0.7426]\n", + " PeriodicSite: Li (12.1, 15.71, 3.625) [0.5959, 0.7733, 0.1785]\n", + " PeriodicSite: Li (13.15, 15.32, 11.85) [0.6472, 0.7542, 0.5836]\n", + " PeriodicSite: Li (0.238, 7.049, 3.383) [0.01171, 0.347, 0.1666]\n", + " PeriodicSite: Li (17.39, 5.716, 9.579) [0.856, 0.2814, 0.4716]\n", + " PeriodicSite: Li (2.306, 16.83, 4.782) [0.1135, 0.8284, 0.2354]\n", + " PeriodicSite: Li (0.5006, 18.34, 10.74) [0.02464, 0.9029, 0.5289]\n", + " PeriodicSite: Li (10.76, 6.811, 3.414) [0.5295, 0.3353, 0.1681]\n", + " PeriodicSite: Li (14.68, 8.629, 13.41) [0.7225, 0.4248, 0.6602]\n", + " PeriodicSite: Li (12.73, 17.28, 0.3777) [0.6268, 0.8507, 0.0186]\n", + " PeriodicSite: Li (8.563, 15.16, 17.19) [0.4216, 0.7465, 0.8465]\n", + " PeriodicSite: Li (5.378, 8.111, 3.147) [0.2647, 0.3993, 0.155]\n", + " PeriodicSite: Li (0.1282, 8.716, 12.54) [0.006313, 0.4291, 0.6174]\n", + " PeriodicSite: Li (0.1521, 17.33, 2.909) [0.007479, 0.8531, 0.1432]\n", + " PeriodicSite: Li (2.112, 0.1387, 12.29) [0.104, 0.006828, 0.6049]\n", + " PeriodicSite: Li (15.79, 10.99, 2.623) [0.7773, 0.541, 0.1292]\n", + " PeriodicSite: Li (12.68, 7.63, 10.59) [0.6242, 0.3756, 0.5216]\n", + " PeriodicSite: Li (12.21, 19.94, 1.3) [0.6009, 0.9816, 0.06399]\n", + " PeriodicSite: Li (13.78, 17.15, 9.803) [0.6785, 0.8444, 0.4826]\n", + " PeriodicSite: Li (5.856, 5.15, 2.204) [0.2883, 0.2536, 0.1085]\n", + " PeriodicSite: Li (4.434, 8.728, 13.89) [0.2183, 0.4297, 0.6838]\n", + " PeriodicSite: Li (4.822, 18.4, 3.361) [0.2374, 0.906, 0.1655]\n", + " PeriodicSite: Li (2.459, 15.91, 13.99) [0.1211, 0.7835, 0.6888]\n", + " PeriodicSite: Li (13.24, 11.26, 4.653) [0.6521, 0.5542, 0.2291]\n", + " PeriodicSite: Li (14.66, 6.025, 11.83) [0.7217, 0.2966, 0.5823]\n", + " PeriodicSite: Li (14.9, 16.95, 1.97) [0.7333, 0.8344, 0.09697]\n", + " PeriodicSite: Li (15.86, 1.958, 14.88) [0.781, 0.0964, 0.7325]\n", + " PeriodicSite: Li (9.711, 3.684, 3.014) [0.4781, 0.1813, 0.1484]\n", + " PeriodicSite: Li (9.88, 3.3, 13.3) [0.4864, 0.1625, 0.655]\n", + " PeriodicSite: Li (4.961, 11.5, 3.038) [0.2442, 0.566, 0.1496]\n", + " PeriodicSite: Li (3.305, 11.62, 14.51) [0.1627, 0.5722, 0.7143]\n", + " PeriodicSite: Li (16.71, 1.737, 4.115) [0.8227, 0.08549, 0.2026]\n", + " PeriodicSite: Li (12.99, 3.812, 9.886) [0.6393, 0.1876, 0.4867]\n", + " PeriodicSite: Li (19.38, 12.62, 20.27) [0.9541, 0.6212, 0.9979]\n", + " PeriodicSite: Li (17.13, 10.37, 13.41) [0.8434, 0.5107, 0.6604]\n", + " PeriodicSite: Li (7.032, 19.37, 5.531) [0.3462, 0.9535, 0.2723]\n", + " PeriodicSite: Li (7.527, 1.507, 14.83) [0.3706, 0.07419, 0.7301]\n", + " PeriodicSite: Li (9.128, 12.44, 0.6837) [0.4494, 0.6126, 0.03366]\n", + " PeriodicSite: Li (9.457, 14.34, 13.29) [0.4656, 0.7058, 0.6543]\n", + " PeriodicSite: Li (14.05, 19.99, 2.781) [0.6917, 0.9843, 0.1369]\n", + " PeriodicSite: Li (19.55, 1.773, 11.57) [0.9624, 0.08727, 0.5697]\n", + " PeriodicSite: Li (18.26, 14.44, 4.705) [0.8992, 0.7111, 0.2316]\n", + " PeriodicSite: Li (16.48, 14.82, 12.48) [0.8114, 0.7294, 0.6143]\n", + " PeriodicSite: Li (8.32, 4.836, 6.407) [0.4096, 0.2381, 0.3154]\n", + " PeriodicSite: Li (8.236, 0.2625, 12.05) [0.4055, 0.01292, 0.5934]\n", + " PeriodicSite: Li (9.312, 13.13, 3.605) [0.4585, 0.6465, 0.1775]\n", + " PeriodicSite: Li (5.451, 14.35, 12.23) [0.2684, 0.7065, 0.6019]\n", + " PeriodicSite: Li (20.02, 2.066, 1.702) [0.9854, 0.1017, 0.08379]\n", + " PeriodicSite: Li (18.47, 4.567, 12.71) [0.9095, 0.2248, 0.6256]\n", + " PeriodicSite: Li (16.84, 14.68, 1.605) [0.8292, 0.7225, 0.07901]\n", + " PeriodicSite: Li (15.0, 12.34, 12.92) [0.7384, 0.6077, 0.6359]\n", + " PeriodicSite: Li (2.888, 19.99, 4.666) [0.1422, 0.9842, 0.2297]\n", + " PeriodicSite: Li (5.409, 1.776, 13.23) [0.2663, 0.08742, 0.6515]\n", + " PeriodicSite: Li (5.411, 13.12, 1.007) [0.2664, 0.6462, 0.04959]\n", + " PeriodicSite: Li (7.742, 7.695, 15.39) [0.3812, 0.3789, 0.7575]\n", + " PeriodicSite: Li (18.62, 4.288, 3.398) [0.9167, 0.2111, 0.1673]\n", + " PeriodicSite: Li (17.25, 20.07, 13.08) [0.849, 0.988, 0.6438]\n", + " PeriodicSite: Li (16.55, 14.09, 18.98) [0.8146, 0.6937, 0.9343]\n", + " PeriodicSite: Li (18.69, 11.74, 10.9) [0.9203, 0.5781, 0.5365]\n", + " PeriodicSite: Li (6.679, 3.365, 0.3295) [0.3288, 0.1657, 0.01622]\n", + " PeriodicSite: Li (4.976, 2.893, 10.54) [0.245, 0.1424, 0.519]\n", + " PeriodicSite: Li (7.619, 10.23, 2.269) [0.3751, 0.5035, 0.1117]\n", + " PeriodicSite: Li (8.561, 11.73, 9.475) [0.4215, 0.5777, 0.4664]\n", + " PeriodicSite: Li (15.32, 3.081, 2.049) [0.7543, 0.1517, 0.1009]\n", + " PeriodicSite: Li (16.42, 3.036, 10.82) [0.8084, 0.1495, 0.5326]\n", + " PeriodicSite: Li (1.375, 10.94, 18.29) [0.06771, 0.5385, 0.9005]\n", + " PeriodicSite: Li (19.62, 13.47, 13.29) [0.9657, 0.6633, 0.6541]\n", + " PeriodicSite: Li (8.524, 0.1564, 1.919) [0.4197, 0.007697, 0.09449]\n", + " PeriodicSite: Li (8.089, 2.381, 10.18) [0.3982, 0.1172, 0.5013]\n", + " PeriodicSite: Li (7.036, 12.11, 4.942) [0.3464, 0.5963, 0.2433]\n", + " PeriodicSite: Li (4.249, 17.42, 11.09) [0.2092, 0.8577, 0.5462]\n", + " PeriodicSite: Li (17.49, 4.08, 0.4615) [0.861, 0.2009, 0.02273]\n", + " PeriodicSite: Li (2.353, 6.598, 14.84) [0.1159, 0.3248, 0.7308]\n", + " PeriodicSite: Li (2.911, 14.96, 8.372) [0.1433, 0.7365, 0.4122]\n", + " PeriodicSite: Li (16.54, 13.55, 10.47) [0.8144, 0.6672, 0.5153]\n", + " PeriodicSite: Li (13.56, 8.305, 4.485) [0.6676, 0.4089, 0.2208]\n", + " PeriodicSite: Li (5.105, 8.162, 17.14) [0.2513, 0.4018, 0.844]\n", + " PeriodicSite: Li (7.809, 16.74, 10.03) [0.3844, 0.8241, 0.4938]\n", + " PeriodicSite: Li (5.933, 14.31, 18.8) [0.2921, 0.7047, 0.9255]\n", + " PeriodicSite: Li (17.74, 9.601, 7.387) [0.8735, 0.4726, 0.3637]\n", + " PeriodicSite: Li (2.388, 4.681, 17.68) [0.1175, 0.2305, 0.8704]\n", + " PeriodicSite: Li (16.61, 18.49, 5.017) [0.8177, 0.9104, 0.247]\n", + " PeriodicSite: Li (0.2957, 18.89, 18.89) [0.01455, 0.93, 0.93]\n", + " PeriodicSite: Li (7.485, 9.007, 5.502) [0.3685, 0.4434, 0.2709]\n", + " PeriodicSite: Li (8.848, 5.423, 17.27) [0.4356, 0.267, 0.8503]\n", + " PeriodicSite: Li (8.093, 20.21, 8.209) [0.3984, 0.995, 0.4041]\n", + " PeriodicSite: Li (7.533, 18.49, 15.11) [0.3708, 0.91, 0.7437]\n", + " PeriodicSite: Li (17.86, 8.329, 10.02) [0.8792, 0.41, 0.4935]\n", + " PeriodicSite: Li (19.14, 3.942, 16.57) [0.9421, 0.1941, 0.816]\n", + " PeriodicSite: Li (18.39, 19.99, 7.802) [0.9055, 0.9843, 0.3841]\n", + " PeriodicSite: Li (17.7, 15.76, 16.49) [0.8716, 0.7757, 0.8119]\n", + " PeriodicSite: Li (6.746, 5.579, 8.967) [0.3321, 0.2747, 0.4415]\n", + " PeriodicSite: Li (6.175, 5.225, 17.88) [0.304, 0.2572, 0.8802]\n", + " PeriodicSite: Li (10.31, 18.29, 9.825) [0.5074, 0.9004, 0.4837]\n", + " PeriodicSite: Li (12.04, 13.48, 15.48) [0.5929, 0.6637, 0.762]\n", + " PeriodicSite: Li (19.86, 7.672, 8.58) [0.9778, 0.3777, 0.4224]\n", + " PeriodicSite: Li (19.16, 7.784, 16.36) [0.943, 0.3832, 0.8053]\n", + " PeriodicSite: Li (17.28, 17.07, 9.903) [0.8506, 0.8402, 0.4875]\n", + " PeriodicSite: Li (16.94, 17.23, 20.19) [0.8342, 0.8485, 0.9939]\n", + " PeriodicSite: Li (8.076, 8.221, 9.765) [0.3976, 0.4047, 0.4807]\n", + " PeriodicSite: Li (7.033, 6.865, 19.98) [0.3462, 0.338, 0.9838]\n", + " PeriodicSite: Li (5.594, 16.8, 8.296) [0.2754, 0.827, 0.4084]\n", + " PeriodicSite: Li (7.392, 14.88, 1.692) [0.3639, 0.7327, 0.08331]\n", + " PeriodicSite: Li (15.32, 7.117, 8.557) [0.7542, 0.3504, 0.4213]\n", + " PeriodicSite: Li (18.1, 9.834, 19.05) [0.8913, 0.4841, 0.9381]\n", + " PeriodicSite: Li (15.31, 18.24, 7.191) [0.7538, 0.8982, 0.354]\n", + " PeriodicSite: Li (15.42, 18.24, 16.58) [0.759, 0.8978, 0.8163]\n", + " PeriodicSite: Li (6.602, 4.735, 11.93) [0.325, 0.2331, 0.5873]\n", + " PeriodicSite: Li (7.193, 10.15, 17.33) [0.3541, 0.4999, 0.8532]\n", + " PeriodicSite: Li (10.07, 17.74, 6.953) [0.4958, 0.8735, 0.3423]\n", + " PeriodicSite: Li (10.65, 17.69, 2.924) [0.5245, 0.871, 0.144]\n", + " PeriodicSite: Li (16.35, 7.78, 5.792) [0.8048, 0.383, 0.2851]\n", + " PeriodicSite: Li (16.24, 5.742, 18.56) [0.7997, 0.2827, 0.9137]\n", + " PeriodicSite: Li (19.65, 17.36, 6.507) [0.9674, 0.8548, 0.3203]\n", + " PeriodicSite: Li (17.87, 0.7504, 0.7145) [0.8796, 0.03693, 0.03518]\n", + " PeriodicSite: Li (2.964, 9.312, 4.536) [0.1459, 0.4585, 0.2233]\n", + " PeriodicSite: Li (9.287, 8.259, 18.65) [0.4572, 0.4066, 0.9182]\n", + " PeriodicSite: Li (8.292, 15.58, 7.037) [0.4082, 0.7671, 0.3464]\n", + " PeriodicSite: Li (6.448, 20.12, 17.38) [0.3174, 0.9903, 0.8555]\n", + " PeriodicSite: Li (17.77, 5.55, 6.232) [0.8747, 0.2732, 0.3068]\n", + " PeriodicSite: Li (17.19, 12.11, 15.28) [0.8465, 0.5962, 0.7523]\n", + " PeriodicSite: Li (0.1269, 13.08, 2.65) [0.00624, 0.6439, 0.1304]\n", + " PeriodicSite: Li (13.27, 0.1778, 13.69) [0.6534, 0.008747, 0.674]\n", + " PeriodicSite: Cl (7.522, 12.72, 12.59) [0.3703, 0.6261, 0.6196]\n", + " PeriodicSite: Cl (2.284, 12.93, 17.31) [0.1124, 0.6366, 0.852]\n", + " PeriodicSite: Cl (12.74, 17.71, 12.91) [0.6272, 0.872, 0.6357]\n", + " PeriodicSite: Cl (17.39, 8.049, 17.55) [0.8563, 0.3963, 0.8641]\n", + " PeriodicSite: Cl (7.603, 2.543, 2.332) [0.3743, 0.1252, 0.1148]\n", + " PeriodicSite: Cl (7.503, 7.442, 7.541) [0.3694, 0.3664, 0.3712]\n", + " PeriodicSite: Cl (13.13, 12.45, 7.699) [0.6462, 0.613, 0.379]\n", + " PeriodicSite: Cl (2.516, 7.686, 2.882) [0.1239, 0.3784, 0.1419]\n", + " PeriodicSite: Cl (2.612, 7.534, 12.66) [0.1286, 0.3709, 0.6235]\n", + " PeriodicSite: Cl (12.69, 12.86, 17.86) [0.6245, 0.6332, 0.8795]\n", + " PeriodicSite: Cl (17.32, 17.62, 18.0) [0.8526, 0.8673, 0.8862]\n", + " PeriodicSite: Cl (2.347, 2.171, 7.39) [0.1155, 0.1069, 0.3638]\n", + " PeriodicSite: Cl (12.78, 2.183, 18.12) [0.6291, 0.1075, 0.8921]\n", + " PeriodicSite: Cl (12.61, 7.783, 2.412) [0.6208, 0.3832, 0.1188]\n", + " PeriodicSite: Cl (17.56, 2.087, 12.86) [0.8646, 0.1027, 0.6329]\n", + " PeriodicSite: Cl (7.651, 17.72, 17.27) [0.3767, 0.8722, 0.8503]\n", + " PeriodicSite: Cl (0.1948, 0.1064, 0.3719) [0.009591, 0.005239, 0.01831]\n", + " PeriodicSite: Cl (0.505, 0.2111, 10.32) [0.02487, 0.01039, 0.508]\n", + " PeriodicSite: Cl (20.01, 10.12, 20.27) [0.9852, 0.4982, 0.9977]\n", + " PeriodicSite: Cl (19.7, 9.721, 10.32) [0.97, 0.4786, 0.5082]\n", + " PeriodicSite: Cl (10.08, 20.14, 0.0908) [0.496, 0.9914, 0.004474]\n", + " PeriodicSite: Cl (9.836, 0.3108, 9.973) [0.4842, 0.0153, 0.491]\n", + " PeriodicSite: Cl (9.574, 10.14, 0.3108) [0.4713, 0.4992, 0.0153]\n", + " PeriodicSite: Cl (9.872, 9.856, 10.1) [0.486, 0.4852, 0.4974]\n", + " PeriodicSite: Cl (0.01674, 5.155, 5.037) [0.0008231, 0.2538, 0.248]\n", + " PeriodicSite: Cl (0.7718, 5.024, 16.02) [0.038, 0.2473, 0.7886]\n", + " PeriodicSite: Cl (0.1936, 15.3, 4.551) [0.009525, 0.7531, 0.224]\n", + " PeriodicSite: Cl (0.032, 15.61, 14.97) [0.001572, 0.7683, 0.7369]\n", + " PeriodicSite: Cl (10.33, 5.002, 5.092) [0.5085, 0.2462, 0.2507]\n", + " PeriodicSite: Cl (9.976, 5.473, 14.94) [0.4911, 0.2695, 0.7353]\n", + " PeriodicSite: Cl (10.25, 15.06, 5.252) [0.5048, 0.7415, 0.2586]\n", + " PeriodicSite: Cl (10.15, 15.1, 15.55) [0.4996, 0.7436, 0.7656]\n", + " PeriodicSite: S (5.12, 0.2237, 4.76) [0.252, 0.01101, 0.2344]\n", + " PeriodicSite: S (5.691, 0.2225, 15.2) [0.2802, 0.01095, 0.7484]\n", + " PeriodicSite: S (5.214, 9.983, 4.806) [0.2567, 0.4915, 0.2366]\n", + " PeriodicSite: S (5.413, 10.37, 15.34) [0.2665, 0.5103, 0.7554]\n", + " PeriodicSite: S (15.03, 20.25, 5.215) [0.7399, 0.9967, 0.2567]\n", + " PeriodicSite: S (15.34, 20.09, 14.91) [0.7551, 0.9893, 0.734]\n", + " PeriodicSite: S (15.26, 10.05, 4.868) [0.7512, 0.4949, 0.2397]\n", + " PeriodicSite: S (15.38, 10.54, 14.95) [0.7571, 0.5189, 0.7358]\n", + " PeriodicSite: S (5.214, 5.239, 0.1118) [0.2567, 0.2579, 0.005504]\n", + " PeriodicSite: S (5.061, 5.228, 10.24) [0.2491, 0.2574, 0.5039]\n", + " PeriodicSite: S (5.128, 15.35, 0.3518) [0.2525, 0.7557, 0.01732]\n", + " PeriodicSite: S (4.666, 15.25, 10.15) [0.2297, 0.7508, 0.4995]\n", + " PeriodicSite: S (15.33, 5.239, 0.2655) [0.7545, 0.2579, 0.01307]\n", + " PeriodicSite: S (15.07, 4.975, 10.07) [0.742, 0.2449, 0.4956]\n", + " PeriodicSite: S (15.05, 15.27, 0.2472) [0.741, 0.7516, 0.01218]\n", + " PeriodicSite: S (15.16, 15.27, 10.14) [0.7462, 0.7518, 0.4992]\n", + " PeriodicSite: S (9.201, 3.714, 8.452) [0.453, 0.1829, 0.4161]\n", + " PeriodicSite: S (8.855, 3.891, 19.14) [0.4359, 0.1915, 0.9422]\n", + " PeriodicSite: S (8.644, 14.55, 9.187) [0.4255, 0.7165, 0.4523]\n", + " PeriodicSite: S (8.568, 13.94, 19.3) [0.4218, 0.6863, 0.95]\n", + " PeriodicSite: S (18.78, 3.742, 9.754) [0.9244, 0.1842, 0.4802]\n", + " PeriodicSite: S (19.45, 4.015, 19.29) [0.9576, 0.1977, 0.9498]\n", + " PeriodicSite: S (18.55, 14.11, 9.285) [0.9133, 0.6948, 0.4571]\n", + " PeriodicSite: S (19.2, 14.18, 18.57) [0.9453, 0.6983, 0.9143]\n", + " PeriodicSite: S (3.748, 1.033, 0.9309) [0.1845, 0.05087, 0.04583]\n", + " PeriodicSite: S (4.018, 0.9243, 11.36) [0.1978, 0.0455, 0.5594]\n", + " PeriodicSite: S (3.545, 11.42, 1.107) [0.1745, 0.5624, 0.05448]\n", + " PeriodicSite: S (3.839, 11.15, 11.48) [0.189, 0.5489, 0.5653]\n", + " PeriodicSite: S (13.69, 1.27, 1.208) [0.674, 0.06253, 0.05947]\n", + " PeriodicSite: S (14.07, 1.48, 11.41) [0.6927, 0.07284, 0.5618]\n", + " PeriodicSite: S (13.87, 11.06, 1.123) [0.683, 0.5447, 0.05527]\n", + " PeriodicSite: S (13.9, 11.41, 11.18) [0.6843, 0.5616, 0.5506]\n", + " PeriodicSite: S (6.076, 1.108, 8.974) [0.2991, 0.05453, 0.4418]\n", + " PeriodicSite: S (6.355, 1.252, 19.08) [0.3129, 0.06165, 0.9396]\n", + " PeriodicSite: S (6.01, 11.64, 8.87) [0.2959, 0.5729, 0.4367]\n", + " PeriodicSite: S (5.848, 11.69, 19.1) [0.2879, 0.5754, 0.9406]\n", + " PeriodicSite: S (16.45, 0.9736, 9.207) [0.8101, 0.04793, 0.4533]\n", + " PeriodicSite: S (16.14, 0.94, 19.02) [0.7945, 0.04627, 0.9361]\n", + " PeriodicSite: S (16.65, 11.14, 9.187) [0.8198, 0.5486, 0.4523]\n", + " PeriodicSite: S (16.33, 11.7, 19.13) [0.8039, 0.576, 0.9416]\n", + " PeriodicSite: S (1.529, 3.59, 1.166) [0.07525, 0.1767, 0.05742]\n", + " PeriodicSite: S (0.8008, 4.049, 12.0) [0.03943, 0.1994, 0.5908]\n", + " PeriodicSite: S (1.032, 13.98, 0.7247) [0.0508, 0.6881, 0.03568]\n", + " PeriodicSite: S (0.7512, 13.97, 11.39) [0.03698, 0.6878, 0.561]\n", + " PeriodicSite: S (11.49, 3.895, 0.9429) [0.5655, 0.1917, 0.04642]\n", + " PeriodicSite: S (11.0, 3.708, 11.23) [0.5415, 0.1826, 0.5531]\n", + " PeriodicSite: S (10.81, 14.15, 1.491) [0.5323, 0.6964, 0.07341]\n", + " PeriodicSite: S (11.48, 13.86, 11.03) [0.5652, 0.6821, 0.5432]\n", + " PeriodicSite: S (2.895, 2.498, 17.86) [0.1425, 0.123, 0.8791]\n", + " PeriodicSite: S (2.37, 12.86, 7.979) [0.1167, 0.6333, 0.3928]\n", + " PeriodicSite: S (13.08, 2.66, 7.792) [0.644, 0.131, 0.3836]\n", + " PeriodicSite: S (9.285, 8.669, 3.831) [0.4571, 0.4268, 0.1886]\n", + " PeriodicSite: S (8.909, 9.345, 14.03) [0.4386, 0.4601, 0.6905]\n", + " PeriodicSite: S (8.884, 19.07, 4.019) [0.4374, 0.9389, 0.1978]\n", + " PeriodicSite: S (9.296, 19.36, 14.02) [0.4577, 0.9529, 0.6902]\n", + " PeriodicSite: S (19.13, 8.921, 4.361) [0.9416, 0.4392, 0.2147]\n", + " PeriodicSite: S (19.02, 9.031, 14.28) [0.9366, 0.4446, 0.7032]\n", + " PeriodicSite: S (18.86, 19.26, 3.498) [0.9283, 0.9481, 0.1722]\n", + " PeriodicSite: S (18.82, 19.21, 14.51) [0.9267, 0.9459, 0.7144]\n", + " PeriodicSite: S (3.892, 6.439, 6.186) [0.1916, 0.317, 0.3046]\n", + " PeriodicSite: S (3.944, 5.944, 16.37) [0.1942, 0.2926, 0.8058]\n", + " PeriodicSite: S (3.709, 16.13, 6.5) [0.1826, 0.7939, 0.32]\n", + " PeriodicSite: S (3.742, 16.72, 16.05) [0.1842, 0.8232, 0.79]\n", + " PeriodicSite: S (14.02, 6.257, 5.981) [0.6902, 0.3081, 0.2945]\n", + " PeriodicSite: S (14.1, 6.361, 16.76) [0.6944, 0.3131, 0.825]\n", + " PeriodicSite: S (14.0, 16.18, 6.222) [0.6891, 0.7965, 0.3063]\n", + " PeriodicSite: S (13.58, 16.17, 16.27) [0.6684, 0.796, 0.8009]\n", + " PeriodicSite: S (6.688, 6.029, 4.379) [0.3293, 0.2968, 0.2156]\n", + " PeriodicSite: S (6.2, 6.561, 13.91) [0.3053, 0.323, 0.6847]\n", + " PeriodicSite: S (6.129, 16.42, 4.109) [0.3017, 0.8084, 0.2023]\n", + " PeriodicSite: S (6.259, 16.62, 13.95) [0.3082, 0.8185, 0.6865]\n", + " PeriodicSite: S (16.65, 6.024, 4.165) [0.8196, 0.2965, 0.205]\n", + " PeriodicSite: S (16.25, 6.271, 13.96) [0.8002, 0.3087, 0.6871]\n", + " PeriodicSite: S (16.38, 16.2, 4.077) [0.8066, 0.7974, 0.2007]\n", + " PeriodicSite: S (16.68, 16.43, 14.41) [0.8214, 0.8088, 0.7096]\n", + " PeriodicSite: S (1.156, 9.231, 6.997) [0.05693, 0.4545, 0.3445]\n", + " PeriodicSite: S (1.49, 9.637, 16.16) [0.07334, 0.4744, 0.7955]\n", + " PeriodicSite: S (1.071, 18.92, 5.919) [0.05274, 0.9313, 0.2914]\n", + " PeriodicSite: S (1.4, 18.94, 16.28) [0.06892, 0.9326, 0.8016]\n", + " PeriodicSite: S (11.72, 9.384, 5.991) [0.577, 0.462, 0.2949]\n", + " PeriodicSite: S (11.19, 9.024, 16.37) [0.5511, 0.4442, 0.8061]\n", + " PeriodicSite: S (11.54, 19.69, 6.183) [0.5681, 0.9691, 0.3044]\n", + " PeriodicSite: S (11.38, 19.1, 16.53) [0.5601, 0.9403, 0.8136]\n", + " PeriodicSite: S (2.611, 17.6, 2.446) [0.1285, 0.8665, 0.1204]\n", + " PeriodicSite: S (2.518, 17.91, 12.64) [0.124, 0.8815, 0.6221]\n", + " PeriodicSite: S (12.68, 7.531, 12.7) [0.6241, 0.3708, 0.6254]\n", + " PeriodicSite: S (12.85, 17.97, 2.677) [0.6324, 0.8846, 0.1318]\n", + " PeriodicSite: S (4.072, 4.266, 3.62) [0.2005, 0.21, 0.1782]\n", + " PeriodicSite: S (4.13, 3.908, 13.65) [0.2033, 0.1924, 0.6721]\n", + " PeriodicSite: S (3.78, 13.83, 3.904) [0.1861, 0.6811, 0.1922]\n", + " PeriodicSite: S (4.155, 14.09, 14.08) [0.2045, 0.6936, 0.6934]\n", + " PeriodicSite: S (14.0, 3.693, 3.831) [0.6895, 0.1818, 0.1886]\n", + " PeriodicSite: S (14.11, 3.917, 14.3) [0.6948, 0.1929, 0.704]\n", + " PeriodicSite: S (13.97, 13.84, 3.849) [0.6878, 0.6812, 0.1895]\n", + " PeriodicSite: S (14.0, 14.14, 14.05) [0.6891, 0.6962, 0.6918]\n", + " PeriodicSite: S (8.475, 0.9379, 6.033) [0.4173, 0.04617, 0.297]\n", + " PeriodicSite: S (8.96, 1.135, 16.67) [0.4411, 0.05589, 0.8209]\n", + " PeriodicSite: S (8.938, 11.19, 6.221) [0.44, 0.5508, 0.3063]\n", + " PeriodicSite: S (9.171, 11.58, 16.5) [0.4515, 0.5701, 0.8121]\n", + " PeriodicSite: S (18.81, 1.155, 6.0) [0.9263, 0.05685, 0.2954]\n", + " PeriodicSite: S (19.36, 1.022, 16.95) [0.9533, 0.05033, 0.8343]\n", + " PeriodicSite: S (19.16, 11.58, 6.52) [0.9432, 0.5703, 0.321]\n", + " PeriodicSite: S (19.43, 11.98, 16.27) [0.9566, 0.5897, 0.801]\n", + " PeriodicSite: S (1.076, 1.216, 3.632) [0.05296, 0.05987, 0.1788]\n", + " PeriodicSite: S (0.8368, 1.561, 14.41) [0.0412, 0.07684, 0.7095]\n", + " PeriodicSite: S (1.352, 11.22, 4.184) [0.06656, 0.5523, 0.206]\n", + " PeriodicSite: S (0.7223, 11.43, 13.42) [0.03556, 0.563, 0.6605]\n", + " PeriodicSite: S (10.83, 1.696, 3.881) [0.5332, 0.0835, 0.1911]\n", + " PeriodicSite: S (11.51, 1.45, 14.55) [0.5666, 0.07139, 0.7165]\n", + " PeriodicSite: S (11.0, 11.67, 3.648) [0.5418, 0.5743, 0.1796]\n", + " PeriodicSite: S (11.59, 11.5, 14.17) [0.5703, 0.5664, 0.6975]\n", + " PeriodicSite: S (5.749, 3.876, 6.744) [0.283, 0.1908, 0.332]\n", + " PeriodicSite: S (6.507, 3.884, 16.01) [0.3204, 0.1912, 0.7884]\n", + " PeriodicSite: S (6.208, 13.98, 6.336) [0.3056, 0.6882, 0.312]\n", + " PeriodicSite: S (6.508, 14.52, 16.5) [0.3204, 0.7146, 0.8123]\n", + " PeriodicSite: S (16.33, 3.417, 6.149) [0.804, 0.1682, 0.3027]\n", + " PeriodicSite: S (16.65, 4.283, 16.62) [0.8197, 0.2108, 0.818]\n", + " PeriodicSite: S (16.48, 13.7, 6.243) [0.8113, 0.6742, 0.3074]\n", + " PeriodicSite: S (16.02, 13.93, 16.58) [0.7885, 0.6859, 0.8164]\n", + " PeriodicSite: S (7.567, 2.562, 12.63) [0.3726, 0.1261, 0.6218]\n", + " PeriodicSite: S (7.324, 12.52, 2.704) [0.3606, 0.6165, 0.1331]\n", + " PeriodicSite: S (17.7, 2.525, 2.172) [0.8713, 0.1243, 0.1069]\n", + " PeriodicSite: S (18.04, 12.68, 2.885) [0.8879, 0.6244, 0.142]\n", + " PeriodicSite: S (17.4, 12.56, 12.55) [0.8564, 0.6185, 0.618]\n", + " PeriodicSite: S (3.841, 9.114, 9.017) [0.1891, 0.4487, 0.4439]\n", + " PeriodicSite: S (3.555, 9.209, 19.07) [0.175, 0.4534, 0.9388]\n", + " PeriodicSite: S (3.963, 19.03, 8.967) [0.1951, 0.9369, 0.4415]\n", + " PeriodicSite: S (4.553, 18.91, 19.03) [0.2241, 0.9309, 0.9367]\n", + " PeriodicSite: S (14.07, 8.952, 9.075) [0.6927, 0.4407, 0.4468]\n", + " PeriodicSite: S (14.06, 9.185, 18.81) [0.692, 0.4522, 0.926]\n", + " PeriodicSite: S (13.81, 19.21, 9.062) [0.6798, 0.9456, 0.4461]\n", + " PeriodicSite: S (13.71, 19.05, 19.16) [0.6749, 0.938, 0.9432]\n", + " PeriodicSite: S (8.815, 5.742, 1.664) [0.434, 0.2827, 0.08194]\n", + " PeriodicSite: S (8.566, 5.936, 10.85) [0.4217, 0.2922, 0.5342]\n", + " PeriodicSite: S (8.723, 16.91, 0.9569) [0.4294, 0.8327, 0.04711]\n", + " PeriodicSite: S (9.607, 16.79, 11.38) [0.473, 0.8265, 0.5605]\n", + " PeriodicSite: S (19.22, 6.151, 1.599) [0.9461, 0.3028, 0.07874]\n", + " PeriodicSite: S (18.98, 6.458, 11.36) [0.9344, 0.3179, 0.5594]\n", + " PeriodicSite: S (19.05, 16.51, 0.8508) [0.9376, 0.8128, 0.04189]\n", + " PeriodicSite: S (18.93, 16.61, 11.51) [0.9319, 0.8177, 0.5668]\n", + " PeriodicSite: S (1.166, 5.916, 9.218) [0.05742, 0.2913, 0.4538]\n", + " PeriodicSite: S (1.094, 6.419, 19.54) [0.05384, 0.316, 0.9617]\n", + " PeriodicSite: S (0.8815, 16.15, 9.035) [0.04339, 0.7948, 0.4448]\n", + " PeriodicSite: S (1.179, 16.47, 18.92) [0.05805, 0.811, 0.9312]\n", + " PeriodicSite: S (11.72, 5.996, 8.992) [0.5769, 0.2952, 0.4427]\n", + " PeriodicSite: S (10.92, 6.466, 19.11) [0.5376, 0.3183, 0.9407]\n", + " PeriodicSite: S (11.45, 16.44, 8.781) [0.5639, 0.8092, 0.4323]\n", + " PeriodicSite: S (11.25, 16.17, 19.08) [0.5538, 0.7962, 0.9392]\n", + " PeriodicSite: S (6.043, 8.891, 0.9303) [0.2975, 0.4377, 0.0458]\n", + " PeriodicSite: S (6.366, 9.144, 11.33) [0.3134, 0.4502, 0.5577]\n", + " PeriodicSite: S (6.385, 19.54, 1.47) [0.3143, 0.9619, 0.07237]\n", + " PeriodicSite: S (6.404, 18.61, 11.09) [0.3153, 0.9161, 0.5461]\n", + " PeriodicSite: S (16.69, 9.399, 0.8667) [0.8215, 0.4627, 0.04267]\n", + " PeriodicSite: S (16.21, 9.114, 11.62) [0.7979, 0.4487, 0.5722]\n", + " PeriodicSite: S (16.14, 19.37, 1.433) [0.7944, 0.9537, 0.07053]\n", + " PeriodicSite: S (16.02, 18.91, 11.26) [0.7889, 0.9312, 0.5541]\n", + " PeriodicSite: S (7.235, 7.318, 17.75) [0.3562, 0.3603, 0.8741]\n", + " PeriodicSite: S (7.973, 17.88, 7.932) [0.3925, 0.8804, 0.3905]\n", + " PeriodicSite: S (17.52, 7.349, 7.92) [0.8624, 0.3618, 0.3899]\n", + " PeriodicSite: S (17.52, 17.81, 7.49) [0.8624, 0.8767, 0.3688]\n", + " PeriodicSite: P (5.15, 0.03189, 20.27) [0.2536, 0.001569, 0.998]\n", + " PeriodicSite: P (5.228, 20.01, 10.14) [0.2574, 0.9851, 0.499]\n", + " PeriodicSite: P (4.803, 10.26, 20.3) [0.2365, 0.5051, 0.9996]\n", + " PeriodicSite: P (5.07, 10.3, 10.18) [0.2496, 0.5071, 0.5012]\n", + " PeriodicSite: P (15.0, 20.26, 0.01682) [0.7386, 0.9974, 0.000834]\n", + " PeriodicSite: P (14.94, 0.05767, 10.34) [0.7357, 0.002833, 0.5088]\n", + " PeriodicSite: P (15.21, 10.39, 20.04) [0.7487, 0.5113, 0.9866]\n", + " PeriodicSite: P (15.2, 10.26, 10.34) [0.7484, 0.5049, 0.5089]\n", + " PeriodicSite: P (5.133, 5.12, 5.163) [0.2527, 0.2521, 0.2542]\n", + " PeriodicSite: P (5.266, 5.018, 14.88) [0.2593, 0.2471, 0.7326]\n", + " PeriodicSite: P (4.895, 15.02, 5.17) [0.241, 0.7393, 0.2545]\n", + " PeriodicSite: P (5.191, 15.52, 15.26) [0.2556, 0.7642, 0.7514]\n", + " PeriodicSite: P (15.18, 4.935, 5.042) [0.7475, 0.243, 0.2482]\n", + " PeriodicSite: P (15.26, 5.237, 15.45) [0.751, 0.2578, 0.7607]\n", + " PeriodicSite: P (15.22, 14.93, 5.084) [0.7495, 0.7348, 0.2503]\n", + " PeriodicSite: P (15.2, 15.26, 15.25) [0.7481, 0.7512, 0.7507]\n", + " PeriodicSite: P (19.99, 20.28, 4.792) [0.9843, 0.9982, 0.2359]\n", + " PeriodicSite: P (0.04963, 0.02815, 15.44) [0.002448, 0.001387, 0.7601]\n", + " PeriodicSite: P (0.06167, 10.17, 5.497) [0.003033, 0.5005, 0.2706]\n", + " PeriodicSite: P (20.29, 10.58, 15.11) [0.9991, 0.521, 0.7436]\n", + " PeriodicSite: P (10.04, 0.1734, 4.906) [0.4941, 0.008533, 0.2415]\n", + " PeriodicSite: P (10.19, 0.09642, 15.4) [0.5019, 0.004744, 0.7583]\n", + " PeriodicSite: P (10.2, 10.24, 4.929) [0.5023, 0.504, 0.2427]\n", + " PeriodicSite: P (10.26, 10.34, 15.2) [0.5049, 0.5092, 0.7483]\n", + " PeriodicSite: P (0.2449, 5.019, 0.2795) [0.01206, 0.2471, 0.01376]\n", + " PeriodicSite: P (20.15, 5.077, 10.44) [0.9918, 0.2499, 0.5139]\n", + " PeriodicSite: P (20.14, 15.2, 19.96) [0.9915, 0.7485, 0.9828]\n", + " PeriodicSite: P (19.87, 15.27, 10.31) [0.9781, 0.7519, 0.5077]\n", + " PeriodicSite: P (10.01, 5.058, 0.1101) [0.4927, 0.249, 0.005422]\n", + " PeriodicSite: P (10.13, 4.958, 9.887) [0.4988, 0.2441, 0.4868]\n", + " PeriodicSite: P (9.897, 15.37, 0.05042) [0.4872, 0.7566, 0.002486]\n", + " PeriodicSite: P (10.35, 15.31, 10.02) [0.5098, 0.7538, 0.4932],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.1, 3.618, 4.895) [0.1034, 0.1781, 0.241]\n", + " PeriodicSite: Li (2.167, 2.969, 15.5) [0.1067, 0.1462, 0.7632]\n", + " PeriodicSite: Li (2.713, 12.79, 10.19) [0.1336, 0.6296, 0.5016]\n", + " PeriodicSite: Li (2.133, 14.95, 16.95) [0.105, 0.7361, 0.8344]\n", + " PeriodicSite: Li (14.49, 1.074, 7.418) [0.7134, 0.05285, 0.3652]\n", + " PeriodicSite: Li (12.08, 3.16, 15.9) [0.5949, 0.1556, 0.783]\n", + " PeriodicSite: Li (17.23, 11.61, 4.743) [0.8484, 0.5717, 0.2335]\n", + " PeriodicSite: Li (15.63, 8.473, 16.61) [0.7696, 0.4171, 0.8179]\n", + " PeriodicSite: Li (3.746, 4.663, 7.953) [0.1844, 0.2295, 0.3915]\n", + " PeriodicSite: Li (3.454, 0.02503, 17.09) [0.17, 0.001232, 0.8416]\n", + " PeriodicSite: Li (4.967, 7.935, 7.044) [0.2445, 0.3906, 0.3468]\n", + " PeriodicSite: Li (7.121, 10.83, 13.35) [0.3506, 0.533, 0.6574]\n", + " PeriodicSite: Li (12.02, 4.617, 6.615) [0.5918, 0.2273, 0.3257]\n", + " PeriodicSite: Li (13.2, 7.302, 20.29) [0.6501, 0.3595, 0.9988]\n", + " PeriodicSite: Li (11.37, 9.519, 12.66) [0.5595, 0.4687, 0.6231]\n", + " PeriodicSite: Li (10.03, 18.42, 18.44) [0.494, 0.9067, 0.9079]\n", + " PeriodicSite: Li (5.079, 1.377, 6.957) [0.2501, 0.06778, 0.3425]\n", + " PeriodicSite: Li (4.945, 2.185, 16.98) [0.2434, 0.1076, 0.8361]\n", + " PeriodicSite: Li (4.65, 10.95, 7.331) [0.2289, 0.5391, 0.3609]\n", + " PeriodicSite: Li (5.579, 12.8, 14.75) [0.2746, 0.63, 0.7261]\n", + " PeriodicSite: Li (12.35, 1.095, 9.695) [0.608, 0.05393, 0.4773]\n", + " PeriodicSite: Li (10.34, 1.871, 19.27) [0.5092, 0.09208, 0.9488]\n", + " PeriodicSite: Li (13.21, 13.68, 9.782) [0.6501, 0.6734, 0.4816]\n", + " PeriodicSite: Li (10.99, 11.0, 18.48) [0.5411, 0.5413, 0.91]\n", + " PeriodicSite: Li (0.6536, 3.028, 7.427) [0.03218, 0.1491, 0.3657]\n", + " PeriodicSite: Li (0.8855, 1.954, 19.43) [0.0436, 0.09622, 0.9565]\n", + " PeriodicSite: Li (0.2677, 12.81, 8.216) [0.01318, 0.6308, 0.4045]\n", + " PeriodicSite: Li (3.217, 13.44, 20.3) [0.1584, 0.6618, 0.9992]\n", + " PeriodicSite: Li (13.2, 1.18, 5.438) [0.6497, 0.0581, 0.2677]\n", + " PeriodicSite: Li (13.44, 20.31, 16.85) [0.6619, 0.9997, 0.8294]\n", + " PeriodicSite: Li (12.17, 10.9, 9.213) [0.599, 0.5367, 0.4536]\n", + " PeriodicSite: Li (13.1, 14.58, 18.69) [0.6447, 0.7179, 0.9203]\n", + " PeriodicSite: Li (6.714, 2.034, 4.927) [0.3306, 0.1001, 0.2426]\n", + " PeriodicSite: Li (1.585, 19.99, 1.992) [0.07802, 0.984, 0.09809]\n", + " PeriodicSite: Li (5.284, 13.4, 8.399) [0.2601, 0.6599, 0.4135]\n", + " PeriodicSite: Li (0.002774, 16.94, 13.35) [0.0001324, 0.8338, 0.657]\n", + " PeriodicSite: Li (14.99, 3.402, 8.53) [0.738, 0.1675, 0.4199]\n", + " PeriodicSite: Li (13.85, 3.252, 19.91) [0.6817, 0.1601, 0.9804]\n", + " PeriodicSite: Li (15.87, 15.52, 8.135) [0.7811, 0.7642, 0.4005]\n", + " PeriodicSite: Li (13.94, 13.57, 1.026) [0.6861, 0.668, 0.05051]\n", + " PeriodicSite: Li (5.009, 1.707, 2.996) [0.2466, 0.08405, 0.1475]\n", + " PeriodicSite: Li (3.436, 3.418, 19.83) [0.1692, 0.1683, 0.9764]\n", + " PeriodicSite: Li (2.006, 13.67, 5.576) [0.09875, 0.6729, 0.2745]\n", + " PeriodicSite: Li (19.47, 10.86, 2.562) [0.9587, 0.5348, 0.1261]\n", + " PeriodicSite: Li (10.54, 2.114, 7.426) [0.519, 0.1041, 0.3656]\n", + " PeriodicSite: Li (17.33, 19.77, 16.22) [0.8531, 0.9731, 0.7984]\n", + " PeriodicSite: Li (14.71, 10.65, 7.249) [0.7243, 0.5244, 0.3569]\n", + " PeriodicSite: Li (14.81, 11.87, 16.96) [0.7292, 0.5846, 0.8351]\n", + " PeriodicSite: Li (4.543, 11.29, 17.4) [0.2237, 0.5556, 0.8566]\n", + " PeriodicSite: Li (1.891, 10.21, 8.474) [0.09312, 0.5027, 0.4172]\n", + " PeriodicSite: Li (3.066, 17.28, 0.297) [0.1509, 0.8505, 0.01462]\n", + " PeriodicSite: Li (2.389, 0.9094, 9.546) [0.1176, 0.04477, 0.47]\n", + " PeriodicSite: Li (13.31, 5.245, 1.763) [0.6554, 0.2582, 0.08677]\n", + " PeriodicSite: Li (12.98, 10.23, 14.98) [0.6393, 0.5037, 0.7375]\n", + " PeriodicSite: Li (12.03, 14.34, 6.593) [0.5921, 0.7061, 0.3246]\n", + " PeriodicSite: Li (14.73, 18.49, 13.86) [0.7252, 0.9102, 0.6823]\n", + " PeriodicSite: Li (3.311, 5.739, 0.9608) [0.163, 0.2825, 0.0473]\n", + " PeriodicSite: Li (3.311, 4.701, 11.6) [0.163, 0.2315, 0.5713]\n", + " PeriodicSite: Li (6.357, 17.22, 19.84) [0.3129, 0.8478, 0.9767]\n", + " PeriodicSite: Li (4.065, 18.42, 14.25) [0.2001, 0.9069, 0.7014]\n", + " PeriodicSite: Li (16.3, 6.729, 1.438) [0.8025, 0.3313, 0.07081]\n", + " PeriodicSite: Li (10.73, 6.074, 12.5) [0.5282, 0.299, 0.6152]\n", + " PeriodicSite: Li (12.97, 18.72, 4.877) [0.6385, 0.9217, 0.2401]\n", + " PeriodicSite: Li (11.29, 17.4, 14.47) [0.5557, 0.8566, 0.7124]\n", + " PeriodicSite: Li (20.27, 8.165, 0.9718) [0.9979, 0.402, 0.04785]\n", + " PeriodicSite: Li (4.496, 7.168, 10.86) [0.2214, 0.3529, 0.5347]\n", + " PeriodicSite: Li (3.589, 15.84, 2.695) [0.1767, 0.7797, 0.1327]\n", + " PeriodicSite: Li (2.872, 15.19, 11.76) [0.1414, 0.7477, 0.579]\n", + " PeriodicSite: Li (12.11, 9.517, 1.178) [0.5961, 0.4685, 0.058]\n", + " PeriodicSite: Li (11.75, 6.816, 15.05) [0.5785, 0.3356, 0.7411]\n", + " PeriodicSite: Li (12.02, 15.94, 3.013) [0.5919, 0.7848, 0.1483]\n", + " PeriodicSite: Li (13.31, 14.92, 12.19) [0.6555, 0.7343, 0.6003]\n", + " PeriodicSite: Li (0.7771, 6.8, 4.049) [0.03825, 0.3348, 0.1993]\n", + " PeriodicSite: Li (17.5, 5.55, 9.379) [0.8615, 0.2732, 0.4617]\n", + " PeriodicSite: Li (1.944, 17.2, 4.972) [0.09571, 0.847, 0.2448]\n", + " PeriodicSite: Li (0.882, 18.24, 10.68) [0.04342, 0.8982, 0.5259]\n", + " PeriodicSite: Li (10.17, 6.576, 3.505) [0.5006, 0.3237, 0.1726]\n", + " PeriodicSite: Li (14.71, 8.37, 13.49) [0.7244, 0.4121, 0.6641]\n", + " PeriodicSite: Li (13.18, 16.7, 0.5467) [0.6489, 0.822, 0.02692]\n", + " PeriodicSite: Li (8.465, 15.31, 17.21) [0.4167, 0.7535, 0.8472]\n", + " PeriodicSite: Li (4.863, 8.334, 2.838) [0.2394, 0.4103, 0.1397]\n", + " PeriodicSite: Li (0.9461, 9.271, 12.44) [0.04658, 0.4564, 0.6125]\n", + " PeriodicSite: Li (20.29, 17.16, 2.6) [0.9986, 0.8448, 0.128]\n", + " PeriodicSite: Li (1.336, 19.61, 13.11) [0.06578, 0.9653, 0.6453]\n", + " PeriodicSite: Li (15.98, 10.72, 2.625) [0.7867, 0.5277, 0.1292]\n", + " PeriodicSite: Li (12.47, 7.838, 10.36) [0.6141, 0.3858, 0.5101]\n", + " PeriodicSite: Li (12.19, 20.12, 1.224) [0.6003, 0.9905, 0.06026]\n", + " PeriodicSite: Li (13.23, 17.57, 10.3) [0.6513, 0.8648, 0.5069]\n", + " PeriodicSite: Li (6.291, 4.622, 2.254) [0.3097, 0.2276, 0.111]\n", + " PeriodicSite: Li (4.863, 8.604, 13.66) [0.2394, 0.4236, 0.6724]\n", + " PeriodicSite: Li (4.426, 18.92, 3.246) [0.2179, 0.9317, 0.1598]\n", + " PeriodicSite: Li (2.592, 16.16, 14.21) [0.1276, 0.7955, 0.6994]\n", + " PeriodicSite: Li (13.41, 11.54, 4.956) [0.6604, 0.5682, 0.244]\n", + " PeriodicSite: Li (14.18, 5.681, 12.1) [0.698, 0.2797, 0.5955]\n", + " PeriodicSite: Li (14.96, 17.09, 2.411) [0.7366, 0.8414, 0.1187]\n", + " PeriodicSite: Li (14.94, 2.376, 16.13) [0.7357, 0.1169, 0.7941]\n", + " PeriodicSite: Li (9.981, 3.243, 3.229) [0.4914, 0.1597, 0.159]\n", + " PeriodicSite: Li (9.623, 3.288, 13.28) [0.4738, 0.1619, 0.6539]\n", + " PeriodicSite: Li (5.023, 11.68, 3.461) [0.2473, 0.5748, 0.1704]\n", + " PeriodicSite: Li (3.022, 11.26, 14.97) [0.1488, 0.5545, 0.7368]\n", + " PeriodicSite: Li (17.17, 0.9903, 4.273) [0.8451, 0.04875, 0.2104]\n", + " PeriodicSite: Li (13.06, 4.527, 9.417) [0.6431, 0.2229, 0.4636]\n", + " PeriodicSite: Li (18.67, 12.64, 0.3679) [0.919, 0.6222, 0.01812]\n", + " PeriodicSite: Li (17.62, 10.12, 12.88) [0.8676, 0.498, 0.6341]\n", + " PeriodicSite: Li (7.335, 18.85, 5.225) [0.3611, 0.928, 0.2573]\n", + " PeriodicSite: Li (7.286, 1.857, 15.05) [0.3587, 0.09141, 0.7408]\n", + " PeriodicSite: Li (9.503, 12.51, 0.8116) [0.4678, 0.6157, 0.03996]\n", + " PeriodicSite: Li (9.703, 14.93, 13.29) [0.4777, 0.7348, 0.6541]\n", + " PeriodicSite: Li (14.75, 20.1, 3.072) [0.726, 0.9893, 0.1513]\n", + " PeriodicSite: Li (19.71, 2.089, 11.35) [0.9702, 0.1029, 0.559]\n", + " PeriodicSite: Li (18.13, 14.53, 4.45) [0.8923, 0.7153, 0.2191]\n", + " PeriodicSite: Li (16.5, 15.15, 12.74) [0.8123, 0.7461, 0.6271]\n", + " PeriodicSite: Li (7.998, 5.852, 5.822) [0.3938, 0.2881, 0.2866]\n", + " PeriodicSite: Li (7.902, 0.2103, 12.58) [0.389, 0.01035, 0.6192]\n", + " PeriodicSite: Li (9.502, 13.22, 3.566) [0.4678, 0.651, 0.1756]\n", + " PeriodicSite: Li (5.654, 14.28, 11.85) [0.2783, 0.703, 0.5836]\n", + " PeriodicSite: Li (19.95, 2.604, 1.863) [0.982, 0.1282, 0.09171]\n", + " PeriodicSite: Li (17.49, 4.783, 12.79) [0.861, 0.2355, 0.6295]\n", + " PeriodicSite: Li (16.8, 14.54, 1.569) [0.8269, 0.7156, 0.07726]\n", + " PeriodicSite: Li (15.16, 11.83, 13.15) [0.7466, 0.5823, 0.6475]\n", + " PeriodicSite: Li (2.885, 0.175, 5.874) [0.142, 0.008614, 0.2892]\n", + " PeriodicSite: Li (5.112, 1.709, 13.39) [0.2517, 0.08416, 0.6592]\n", + " PeriodicSite: Li (5.867, 13.15, 0.7348) [0.2889, 0.6475, 0.03618]\n", + " PeriodicSite: Li (8.198, 7.347, 14.98) [0.4036, 0.3617, 0.7375]\n", + " PeriodicSite: Li (18.34, 4.453, 3.559) [0.9029, 0.2192, 0.1752]\n", + " PeriodicSite: Li (17.38, 0.6866, 13.53) [0.8559, 0.03379, 0.6659]\n", + " PeriodicSite: Li (16.6, 14.16, 18.74) [0.817, 0.6973, 0.9225]\n", + " PeriodicSite: Li (18.54, 11.92, 10.63) [0.9129, 0.5866, 0.5233]\n", + " PeriodicSite: Li (6.634, 3.499, 19.81) [0.3266, 0.1723, 0.9751]\n", + " PeriodicSite: Li (5.615, 2.898, 10.83) [0.2765, 0.1427, 0.5332]\n", + " PeriodicSite: Li (7.815, 10.41, 1.98) [0.3847, 0.5123, 0.09747]\n", + " PeriodicSite: Li (8.658, 12.1, 10.67) [0.4262, 0.5957, 0.5254]\n", + " PeriodicSite: Li (15.32, 3.032, 2.283) [0.7544, 0.1492, 0.1124]\n", + " PeriodicSite: Li (15.81, 2.828, 11.3) [0.7783, 0.1392, 0.5565]\n", + " PeriodicSite: Li (1.376, 10.86, 18.08) [0.06773, 0.5348, 0.8901]\n", + " PeriodicSite: Li (19.79, 13.06, 13.8) [0.9745, 0.643, 0.6794]\n", + " PeriodicSite: Li (8.109, 0.4782, 1.673) [0.3992, 0.02354, 0.08235]\n", + " PeriodicSite: Li (8.913, 1.913, 10.43) [0.4388, 0.09417, 0.5133]\n", + " PeriodicSite: Li (7.018, 11.73, 4.731) [0.3455, 0.5777, 0.2329]\n", + " PeriodicSite: Li (4.561, 17.71, 11.37) [0.2245, 0.8717, 0.5597]\n", + " PeriodicSite: Li (17.34, 4.007, 0.7674) [0.8537, 0.1973, 0.03779]\n", + " PeriodicSite: Li (2.616, 6.121, 14.42) [0.1288, 0.3013, 0.7099]\n", + " PeriodicSite: Li (2.828, 14.96, 8.25) [0.1392, 0.7363, 0.4062]\n", + " PeriodicSite: Li (16.27, 13.34, 10.77) [0.8012, 0.6569, 0.53]\n", + " PeriodicSite: Li (13.4, 8.765, 4.129) [0.6597, 0.4315, 0.2033]\n", + " PeriodicSite: Li (5.25, 8.482, 17.47) [0.2585, 0.4176, 0.8599]\n", + " PeriodicSite: Li (6.999, 16.63, 9.705) [0.3445, 0.8186, 0.4778]\n", + " PeriodicSite: Li (5.696, 14.03, 18.62) [0.2804, 0.6908, 0.9166]\n", + " PeriodicSite: Li (17.26, 10.02, 7.111) [0.8498, 0.4932, 0.3501]\n", + " PeriodicSite: Li (2.219, 4.776, 17.5) [0.1092, 0.2351, 0.8618]\n", + " PeriodicSite: Li (17.17, 18.28, 5.299) [0.8451, 0.8997, 0.2609]\n", + " PeriodicSite: Li (0.03234, 18.93, 18.8) [0.001589, 0.9317, 0.9254]\n", + " PeriodicSite: Li (7.549, 9.243, 5.598) [0.3717, 0.455, 0.2756]\n", + " PeriodicSite: Li (8.913, 5.578, 17.32) [0.4388, 0.2746, 0.8526]\n", + " PeriodicSite: Li (8.223, 19.87, 8.045) [0.4048, 0.9782, 0.3961]\n", + " PeriodicSite: Li (7.222, 18.39, 15.19) [0.3555, 0.9053, 0.7477]\n", + " PeriodicSite: Li (18.11, 8.421, 10.09) [0.8915, 0.4145, 0.4965]\n", + " PeriodicSite: Li (19.63, 3.039, 16.17) [0.9665, 0.1496, 0.7962]\n", + " PeriodicSite: Li (18.26, 20.05, 8.05) [0.8989, 0.9873, 0.3963]\n", + " PeriodicSite: Li (19.04, 16.14, 16.76) [0.9374, 0.7946, 0.8253]\n", + " PeriodicSite: Li (7.0, 5.1, 8.931) [0.3446, 0.2511, 0.4397]\n", + " PeriodicSite: Li (6.17, 5.666, 18.1) [0.3038, 0.2789, 0.8909]\n", + " PeriodicSite: Li (9.643, 18.35, 9.288) [0.4747, 0.9036, 0.4573]\n", + " PeriodicSite: Li (11.21, 13.18, 15.95) [0.5518, 0.6491, 0.7854]\n", + " PeriodicSite: Li (19.93, 7.274, 7.35) [0.9809, 0.3581, 0.3618]\n", + " PeriodicSite: Li (19.82, 7.529, 16.58) [0.9756, 0.3707, 0.8165]\n", + " PeriodicSite: Li (16.96, 17.34, 10.08) [0.8348, 0.8538, 0.4963]\n", + " PeriodicSite: Li (16.47, 17.36, 19.71) [0.8109, 0.8549, 0.9704]\n", + " PeriodicSite: Li (8.487, 8.49, 9.405) [0.4178, 0.418, 0.463]\n", + " PeriodicSite: Li (6.864, 7.132, 20.24) [0.3379, 0.3511, 0.9963]\n", + " PeriodicSite: Li (5.276, 17.75, 7.714) [0.2597, 0.8737, 0.3798]\n", + " PeriodicSite: Li (6.654, 15.1, 2.094) [0.3276, 0.7436, 0.1031]\n", + " PeriodicSite: Li (15.34, 6.385, 8.403) [0.755, 0.3143, 0.4137]\n", + " PeriodicSite: Li (17.95, 9.556, 19.24) [0.8835, 0.4705, 0.9473]\n", + " PeriodicSite: Li (15.11, 18.19, 6.985) [0.7441, 0.8957, 0.3439]\n", + " PeriodicSite: Li (14.97, 17.99, 17.21) [0.7368, 0.8855, 0.8472]\n", + " PeriodicSite: Li (6.919, 4.852, 11.81) [0.3406, 0.2389, 0.5815]\n", + " PeriodicSite: Li (7.108, 10.23, 16.66) [0.3499, 0.5035, 0.8202]\n", + " PeriodicSite: Li (10.04, 17.41, 6.168) [0.4944, 0.8572, 0.3037]\n", + " PeriodicSite: Li (10.04, 18.29, 1.427) [0.4944, 0.9002, 0.07025]\n", + " PeriodicSite: Li (16.29, 7.934, 5.672) [0.8021, 0.3906, 0.2792]\n", + " PeriodicSite: Li (15.84, 6.05, 18.2) [0.78, 0.2979, 0.896]\n", + " PeriodicSite: Li (19.43, 17.22, 7.366) [0.9567, 0.8476, 0.3627]\n", + " PeriodicSite: Li (18.04, 0.6474, 1.093) [0.8883, 0.03186, 0.05381]\n", + " PeriodicSite: Li (3.235, 9.145, 4.974) [0.1593, 0.4502, 0.2449]\n", + " PeriodicSite: Li (9.338, 8.776, 18.44) [0.4597, 0.4321, 0.908]\n", + " PeriodicSite: Li (8.283, 15.43, 6.914) [0.4078, 0.7594, 0.3404]\n", + " PeriodicSite: Li (6.655, 19.81, 17.18) [0.3276, 0.9754, 0.846]\n", + " PeriodicSite: Li (18.12, 5.377, 6.35) [0.8923, 0.2647, 0.3126]\n", + " PeriodicSite: Li (16.94, 11.74, 14.84) [0.8338, 0.5779, 0.7308]\n", + " PeriodicSite: Li (20.04, 13.34, 2.8) [0.9868, 0.6568, 0.1379]\n", + " PeriodicSite: Li (13.52, 0.8403, 13.63) [0.6656, 0.04137, 0.6708]\n", + " PeriodicSite: Cl (7.829, 13.05, 12.55) [0.3854, 0.6425, 0.6177]\n", + " PeriodicSite: Cl (2.826, 13.03, 17.84) [0.1391, 0.6415, 0.8784]\n", + " PeriodicSite: Cl (12.8, 17.39, 12.82) [0.63, 0.8562, 0.6314]\n", + " PeriodicSite: Cl (17.87, 7.583, 17.73) [0.8799, 0.3733, 0.8728]\n", + " PeriodicSite: Cl (7.58, 2.579, 2.852) [0.3732, 0.127, 0.1404]\n", + " PeriodicSite: Cl (7.342, 7.425, 7.531) [0.3614, 0.3655, 0.3708]\n", + " PeriodicSite: Cl (12.93, 12.51, 7.646) [0.6364, 0.6159, 0.3764]\n", + " PeriodicSite: Cl (2.637, 7.796, 2.721) [0.1298, 0.3838, 0.1339]\n", + " PeriodicSite: Cl (2.875, 7.659, 12.96) [0.1415, 0.377, 0.638]\n", + " PeriodicSite: Cl (12.69, 12.42, 17.94) [0.6249, 0.6113, 0.8833]\n", + " PeriodicSite: Cl (17.6, 17.75, 17.73) [0.8667, 0.8741, 0.8729]\n", + " PeriodicSite: Cl (2.804, 2.454, 7.573) [0.138, 0.1208, 0.3728]\n", + " PeriodicSite: Cl (12.55, 2.345, 17.92) [0.6177, 0.1155, 0.8821]\n", + " PeriodicSite: Cl (12.43, 7.422, 2.158) [0.6118, 0.3654, 0.1062]\n", + " PeriodicSite: Cl (17.86, 2.599, 12.49) [0.8793, 0.1279, 0.6148]\n", + " PeriodicSite: Cl (7.762, 17.5, 17.68) [0.3821, 0.8613, 0.8704]\n", + " PeriodicSite: Cl (20.06, 0.1747, 20.29) [0.9877, 0.008593, 0.9988]\n", + " PeriodicSite: Cl (0.3251, 0.09806, 10.45) [0.01601, 0.004828, 0.5145]\n", + " PeriodicSite: Cl (19.85, 10.41, 0.03237) [0.9775, 0.5124, 0.0016]\n", + " PeriodicSite: Cl (20.19, 10.09, 10.19) [0.9941, 0.4968, 0.5016]\n", + " PeriodicSite: Cl (9.957, 20.12, 0.1272) [0.4902, 0.9907, 0.006267]\n", + " PeriodicSite: Cl (10.11, 0.3548, 9.555) [0.4978, 0.01747, 0.4704]\n", + " PeriodicSite: Cl (9.972, 10.27, 20.21) [0.4909, 0.5054, 0.9952]\n", + " PeriodicSite: Cl (10.13, 10.08, 9.659) [0.4986, 0.4961, 0.4755]\n", + " PeriodicSite: Cl (20.25, 4.412, 5.39) [0.9971, 0.2172, 0.2653]\n", + " PeriodicSite: Cl (0.3236, 5.251, 15.98) [0.01593, 0.2585, 0.7867]\n", + " PeriodicSite: Cl (20.31, 15.04, 4.983) [0.9999, 0.7406, 0.2453]\n", + " PeriodicSite: Cl (0.5614, 15.24, 14.81) [0.02763, 0.7501, 0.7291]\n", + " PeriodicSite: Cl (10.03, 4.961, 5.156) [0.4936, 0.2442, 0.2538]\n", + " PeriodicSite: Cl (9.845, 5.487, 14.65) [0.4847, 0.2701, 0.7213]\n", + " PeriodicSite: Cl (10.3, 15.15, 5.133) [0.5071, 0.7458, 0.2527]\n", + " PeriodicSite: Cl (10.15, 15.34, 15.38) [0.4998, 0.755, 0.7574]\n", + " PeriodicSite: S (5.131, 0.1991, 4.864) [0.2526, 0.009798, 0.2395]\n", + " PeriodicSite: S (5.254, 0.1, 15.57) [0.2587, 0.004922, 0.7665]\n", + " PeriodicSite: S (5.209, 10.0, 5.22) [0.2565, 0.4923, 0.257]\n", + " PeriodicSite: S (5.239, 10.61, 15.31) [0.2579, 0.5225, 0.7536]\n", + " PeriodicSite: S (15.06, 19.84, 5.327) [0.7415, 0.9769, 0.2622]\n", + " PeriodicSite: S (15.12, 20.24, 15.42) [0.7444, 0.9966, 0.759]\n", + " PeriodicSite: S (15.39, 10.03, 4.962) [0.7579, 0.4937, 0.2443]\n", + " PeriodicSite: S (15.21, 10.03, 15.11) [0.7488, 0.4938, 0.7438]\n", + " PeriodicSite: S (5.323, 5.123, 0.1434) [0.2621, 0.2522, 0.007064]\n", + " PeriodicSite: S (4.94, 5.042, 10.03) [0.2432, 0.2482, 0.4937]\n", + " PeriodicSite: S (4.828, 15.15, 0.1099) [0.2377, 0.746, 0.005415]\n", + " PeriodicSite: S (4.528, 15.52, 10.09) [0.2229, 0.7642, 0.4969]\n", + " PeriodicSite: S (15.1, 5.01, 0.4161) [0.7435, 0.2466, 0.02049]\n", + " PeriodicSite: S (15.2, 4.914, 10.28) [0.7485, 0.2419, 0.5061]\n", + " PeriodicSite: S (15.02, 15.51, 0.2267) [0.7395, 0.7638, 0.01117]\n", + " PeriodicSite: S (14.97, 15.34, 10.6) [0.7371, 0.7554, 0.5216]\n", + " PeriodicSite: S (9.019, 3.733, 8.457) [0.444, 0.1838, 0.4164]\n", + " PeriodicSite: S (9.011, 4.039, 18.96) [0.4436, 0.1989, 0.9336]\n", + " PeriodicSite: S (8.612, 14.5, 9.11) [0.424, 0.7138, 0.4485]\n", + " PeriodicSite: S (8.757, 14.02, 19.61) [0.4311, 0.6901, 0.9656]\n", + " PeriodicSite: S (19.26, 3.616, 9.158) [0.9482, 0.178, 0.4509]\n", + " PeriodicSite: S (19.28, 4.001, 19.37) [0.9493, 0.197, 0.9535]\n", + " PeriodicSite: S (18.48, 14.02, 9.109) [0.9098, 0.6904, 0.4484]\n", + " PeriodicSite: S (19.07, 14.39, 18.6) [0.9387, 0.7083, 0.9158]\n", + " PeriodicSite: S (3.685, 1.213, 0.6724) [0.1814, 0.05972, 0.0331]\n", + " PeriodicSite: S (4.013, 1.124, 11.24) [0.1976, 0.05535, 0.5534]\n", + " PeriodicSite: S (3.79, 11.51, 1.245) [0.1866, 0.5667, 0.06129]\n", + " PeriodicSite: S (4.001, 11.59, 11.66) [0.197, 0.5704, 0.5743]\n", + " PeriodicSite: S (14.02, 1.268, 0.9557) [0.6901, 0.06243, 0.04705]\n", + " PeriodicSite: S (14.17, 1.216, 11.52) [0.6977, 0.05987, 0.5672]\n", + " PeriodicSite: S (13.94, 11.1, 1.221) [0.6861, 0.5463, 0.06011]\n", + " PeriodicSite: S (13.63, 11.01, 11.26) [0.6709, 0.5419, 0.5545]\n", + " PeriodicSite: S (6.62, 1.236, 8.875) [0.3259, 0.06084, 0.4369]\n", + " PeriodicSite: S (6.562, 1.235, 19.37) [0.3231, 0.06081, 0.9538]\n", + " PeriodicSite: S (6.267, 11.3, 9.133) [0.3085, 0.5564, 0.4496]\n", + " PeriodicSite: S (6.204, 11.51, 18.92) [0.3054, 0.5667, 0.9317]\n", + " PeriodicSite: S (16.62, 1.211, 9.356) [0.818, 0.05963, 0.4606]\n", + " PeriodicSite: S (16.32, 0.7589, 18.88) [0.8033, 0.03735, 0.9295]\n", + " PeriodicSite: S (15.98, 11.36, 9.161) [0.7865, 0.5592, 0.451]\n", + " PeriodicSite: S (16.12, 11.46, 18.84) [0.7937, 0.5641, 0.9276]\n", + " PeriodicSite: S (1.563, 4.075, 1.273) [0.07695, 0.2006, 0.06265]\n", + " PeriodicSite: S (0.8442, 4.009, 11.87) [0.04156, 0.1974, 0.5842]\n", + " PeriodicSite: S (0.9257, 13.82, 0.7619) [0.04557, 0.6803, 0.03751]\n", + " PeriodicSite: S (0.6643, 13.97, 11.18) [0.0327, 0.6878, 0.5503]\n", + " PeriodicSite: S (11.26, 3.776, 0.9873) [0.5541, 0.1859, 0.04861]\n", + " PeriodicSite: S (11.14, 3.751, 11.15) [0.5484, 0.1847, 0.5491]\n", + " PeriodicSite: S (11.16, 14.18, 1.661) [0.5493, 0.6983, 0.08176]\n", + " PeriodicSite: S (11.23, 14.04, 11.26) [0.5527, 0.6914, 0.5545]\n", + " PeriodicSite: S (2.707, 2.544, 17.73) [0.1333, 0.1252, 0.8727]\n", + " PeriodicSite: S (2.712, 12.45, 7.989) [0.1335, 0.6127, 0.3933]\n", + " PeriodicSite: S (12.87, 2.627, 7.681) [0.6336, 0.1293, 0.3782]\n", + " PeriodicSite: S (9.174, 8.818, 3.637) [0.4516, 0.4341, 0.179]\n", + " PeriodicSite: S (8.944, 9.31, 14.03) [0.4403, 0.4583, 0.6906]\n", + " PeriodicSite: S (9.098, 19.26, 3.826) [0.4479, 0.948, 0.1884]\n", + " PeriodicSite: S (9.463, 19.23, 14.08) [0.4658, 0.947, 0.6932]\n", + " PeriodicSite: S (19.31, 8.999, 3.97) [0.9504, 0.443, 0.1955]\n", + " PeriodicSite: S (19.48, 8.833, 14.1) [0.9593, 0.4349, 0.6942]\n", + " PeriodicSite: S (18.93, 19.27, 3.734) [0.9319, 0.9488, 0.1839]\n", + " PeriodicSite: S (19.13, 19.21, 14.29) [0.9419, 0.9459, 0.7037]\n", + " PeriodicSite: S (3.506, 6.098, 6.117) [0.1726, 0.3002, 0.3011]\n", + " PeriodicSite: S (4.064, 6.237, 16.51) [0.2001, 0.3071, 0.813]\n", + " PeriodicSite: S (3.702, 16.23, 6.539) [0.1823, 0.7991, 0.3219]\n", + " PeriodicSite: S (3.941, 16.65, 16.31) [0.194, 0.8195, 0.8031]\n", + " PeriodicSite: S (14.02, 6.409, 6.195) [0.6904, 0.3155, 0.305]\n", + " PeriodicSite: S (14.12, 6.781, 16.3) [0.6949, 0.3338, 0.8026]\n", + " PeriodicSite: S (13.92, 16.18, 6.254) [0.6851, 0.7965, 0.3079]\n", + " PeriodicSite: S (13.66, 15.63, 16.78) [0.6726, 0.7693, 0.8261]\n", + " PeriodicSite: S (6.109, 6.75, 4.283) [0.3007, 0.3323, 0.2109]\n", + " PeriodicSite: S (6.342, 6.282, 14.06) [0.3122, 0.3093, 0.6924]\n", + " PeriodicSite: S (5.825, 16.61, 4.025) [0.2867, 0.8176, 0.1981]\n", + " PeriodicSite: S (6.156, 16.7, 13.84) [0.3031, 0.8223, 0.6812]\n", + " PeriodicSite: S (16.62, 5.95, 4.06) [0.8184, 0.2929, 0.1999]\n", + " PeriodicSite: S (16.18, 6.452, 13.73) [0.7967, 0.3176, 0.6759]\n", + " PeriodicSite: S (16.35, 16.22, 3.894) [0.8047, 0.7984, 0.1917]\n", + " PeriodicSite: S (15.87, 16.68, 14.75) [0.7812, 0.8211, 0.7259]\n", + " PeriodicSite: S (1.291, 8.971, 6.394) [0.06353, 0.4417, 0.3148]\n", + " PeriodicSite: S (1.748, 9.427, 16.16) [0.08606, 0.4641, 0.7954]\n", + " PeriodicSite: S (0.898, 19.12, 6.39) [0.0442, 0.9412, 0.3146]\n", + " PeriodicSite: S (1.437, 19.15, 16.49) [0.07074, 0.9427, 0.812]\n", + " PeriodicSite: S (11.72, 9.36, 5.923) [0.5772, 0.4608, 0.2916]\n", + " PeriodicSite: S (10.94, 8.795, 16.44) [0.5388, 0.433, 0.8093]\n", + " PeriodicSite: S (11.25, 19.51, 6.516) [0.5537, 0.9603, 0.3208]\n", + " PeriodicSite: S (11.5, 18.89, 16.54) [0.5664, 0.9299, 0.8145]\n", + " PeriodicSite: S (2.322, 17.8, 2.518) [0.1143, 0.8766, 0.1239]\n", + " PeriodicSite: S (2.367, 17.69, 12.39) [0.1165, 0.8711, 0.61]\n", + " PeriodicSite: S (12.49, 7.535, 12.84) [0.615, 0.371, 0.6321]\n", + " PeriodicSite: S (12.74, 17.97, 2.636) [0.627, 0.8845, 0.1298]\n", + " PeriodicSite: S (4.004, 4.103, 3.566) [0.1971, 0.202, 0.1756]\n", + " PeriodicSite: S (3.851, 3.78, 14.16) [0.1896, 0.1861, 0.697]\n", + " PeriodicSite: S (3.795, 13.96, 4.016) [0.1868, 0.6874, 0.1977]\n", + " PeriodicSite: S (4.066, 14.32, 13.8) [0.2002, 0.705, 0.6795]\n", + " PeriodicSite: S (13.73, 3.865, 3.861) [0.6758, 0.1903, 0.1901]\n", + " PeriodicSite: S (13.92, 3.992, 14.45) [0.6854, 0.1965, 0.7116]\n", + " PeriodicSite: S (14.0, 13.86, 3.883) [0.6892, 0.6825, 0.1912]\n", + " PeriodicSite: S (14.21, 13.73, 13.99) [0.6995, 0.6761, 0.689]\n", + " PeriodicSite: S (8.646, 1.106, 6.289) [0.4256, 0.05444, 0.3096]\n", + " PeriodicSite: S (8.945, 0.9782, 16.74) [0.4404, 0.04816, 0.8241]\n", + " PeriodicSite: S (8.992, 11.17, 5.882) [0.4427, 0.5499, 0.2896]\n", + " PeriodicSite: S (9.082, 11.3, 16.89) [0.4471, 0.5563, 0.8318]\n", + " PeriodicSite: S (18.98, 1.455, 6.14) [0.9345, 0.07164, 0.3023]\n", + " PeriodicSite: S (19.16, 0.7164, 16.97) [0.9433, 0.03526, 0.8357]\n", + " PeriodicSite: S (19.21, 11.56, 6.346) [0.9459, 0.5691, 0.3124]\n", + " PeriodicSite: S (19.41, 11.76, 15.92) [0.9555, 0.5788, 0.7838]\n", + " PeriodicSite: S (1.009, 1.249, 3.675) [0.04969, 0.0615, 0.1809]\n", + " PeriodicSite: S (1.159, 1.308, 14.31) [0.05706, 0.06441, 0.7043]\n", + " PeriodicSite: S (1.322, 11.49, 4.182) [0.0651, 0.5659, 0.2059]\n", + " PeriodicSite: S (1.296, 11.31, 13.43) [0.06382, 0.557, 0.6613]\n", + " PeriodicSite: S (11.17, 1.459, 4.087) [0.5499, 0.07184, 0.2012]\n", + " PeriodicSite: S (11.5, 1.272, 14.55) [0.5661, 0.06263, 0.7165]\n", + " PeriodicSite: S (11.31, 11.47, 3.38) [0.5568, 0.5647, 0.1664]\n", + " PeriodicSite: S (11.18, 11.51, 14.37) [0.5502, 0.5665, 0.7075]\n", + " PeriodicSite: S (6.234, 4.05, 6.171) [0.3069, 0.1994, 0.3038]\n", + " PeriodicSite: S (6.63, 3.993, 16.54) [0.3264, 0.1966, 0.8142]\n", + " PeriodicSite: S (6.498, 13.97, 6.03) [0.3199, 0.688, 0.2968]\n", + " PeriodicSite: S (6.309, 14.35, 16.35) [0.3106, 0.7067, 0.8047]\n", + " PeriodicSite: S (16.17, 3.915, 6.297) [0.7959, 0.1927, 0.31]\n", + " PeriodicSite: S (16.63, 4.16, 16.19) [0.8186, 0.2048, 0.7972]\n", + " PeriodicSite: S (16.36, 13.88, 6.308) [0.8053, 0.6832, 0.3106]\n", + " PeriodicSite: S (16.43, 13.74, 16.43) [0.8091, 0.6767, 0.8089]\n", + " PeriodicSite: S (7.429, 2.435, 12.54) [0.3658, 0.1199, 0.6173]\n", + " PeriodicSite: S (7.297, 12.85, 2.647) [0.3592, 0.6325, 0.1303]\n", + " PeriodicSite: S (17.67, 2.386, 2.507) [0.8701, 0.1174, 0.1234]\n", + " PeriodicSite: S (17.82, 12.55, 2.558) [0.8773, 0.618, 0.1259]\n", + " PeriodicSite: S (17.49, 12.66, 12.66) [0.8609, 0.6231, 0.6231]\n", + " PeriodicSite: S (3.856, 9.186, 9.224) [0.1898, 0.4523, 0.4541]\n", + " PeriodicSite: S (3.617, 9.576, 18.85) [0.1781, 0.4714, 0.9278]\n", + " PeriodicSite: S (4.166, 19.47, 9.001) [0.2051, 0.9584, 0.4431]\n", + " PeriodicSite: S (4.467, 19.03, 18.7) [0.2199, 0.9366, 0.9208]\n", + " PeriodicSite: S (13.87, 8.838, 8.834) [0.6831, 0.4351, 0.4349]\n", + " PeriodicSite: S (13.98, 8.909, 18.92) [0.688, 0.4386, 0.9313]\n", + " PeriodicSite: S (14.12, 19.43, 9.008) [0.6951, 0.9567, 0.4435]\n", + " PeriodicSite: S (13.96, 18.62, 19.28) [0.6873, 0.9166, 0.949]\n", + " PeriodicSite: S (8.743, 6.029, 1.397) [0.4304, 0.2968, 0.06876]\n", + " PeriodicSite: S (8.87, 6.101, 10.6) [0.4367, 0.3004, 0.5217]\n", + " PeriodicSite: S (8.509, 16.49, 1.265) [0.4189, 0.8119, 0.06228]\n", + " PeriodicSite: S (9.292, 16.81, 11.26) [0.4575, 0.8273, 0.5543]\n", + " PeriodicSite: S (19.42, 6.168, 1.703) [0.9559, 0.3036, 0.08387]\n", + " PeriodicSite: S (18.85, 6.113, 11.33) [0.9281, 0.3009, 0.558]\n", + " PeriodicSite: S (18.78, 16.05, 1.149) [0.9247, 0.7902, 0.05656]\n", + " PeriodicSite: S (18.89, 16.43, 11.57) [0.9301, 0.809, 0.5697]\n", + " PeriodicSite: S (1.021, 5.988, 8.94) [0.05028, 0.2948, 0.4401]\n", + " PeriodicSite: S (1.402, 6.58, 19.39) [0.06904, 0.3239, 0.9545]\n", + " PeriodicSite: S (0.7105, 16.41, 8.973) [0.03497, 0.8079, 0.4418]\n", + " PeriodicSite: S (1.069, 16.56, 19.2) [0.05264, 0.8154, 0.9452]\n", + " PeriodicSite: S (11.4, 5.977, 8.468) [0.5615, 0.2942, 0.4169]\n", + " PeriodicSite: S (10.98, 6.608, 19.11) [0.5407, 0.3253, 0.9408]\n", + " PeriodicSite: S (11.28, 16.28, 8.815) [0.5554, 0.8016, 0.434]\n", + " PeriodicSite: S (11.27, 16.45, 19.37) [0.5549, 0.8099, 0.9538]\n", + " PeriodicSite: S (6.04, 9.1, 0.9435) [0.2973, 0.448, 0.04645]\n", + " PeriodicSite: S (6.263, 9.091, 11.49) [0.3083, 0.4475, 0.5658]\n", + " PeriodicSite: S (6.207, 19.29, 1.258) [0.3056, 0.9499, 0.06192]\n", + " PeriodicSite: S (6.557, 19.15, 11.14) [0.3228, 0.9429, 0.5483]\n", + " PeriodicSite: S (16.4, 9.041, 0.715) [0.8075, 0.4451, 0.0352]\n", + " PeriodicSite: S (16.22, 8.83, 11.35) [0.7987, 0.4347, 0.5586]\n", + " PeriodicSite: S (16.23, 19.0, 1.188) [0.7989, 0.9356, 0.05852]\n", + " PeriodicSite: S (16.28, 19.2, 11.71) [0.8016, 0.9451, 0.5765]\n", + " PeriodicSite: S (7.49, 7.759, 17.5) [0.3687, 0.382, 0.8617]\n", + " PeriodicSite: S (7.739, 17.61, 7.439) [0.381, 0.8671, 0.3662]\n", + " PeriodicSite: S (17.55, 7.527, 7.7) [0.8641, 0.3706, 0.3791]\n", + " PeriodicSite: S (17.34, 17.78, 7.685) [0.8538, 0.8752, 0.3784]\n", + " PeriodicSite: P (5.165, 0.1031, 20.14) [0.2543, 0.005075, 0.9914]\n", + " PeriodicSite: P (5.402, 0.145, 10.13) [0.2659, 0.007134, 0.4986]\n", + " PeriodicSite: P (4.901, 10.42, 20.16) [0.2413, 0.5131, 0.9923]\n", + " PeriodicSite: P (5.041, 10.34, 10.42) [0.2482, 0.5091, 0.5132]\n", + " PeriodicSite: P (15.13, 20.15, 20.18) [0.7449, 0.9919, 0.9935]\n", + " PeriodicSite: P (15.41, 0.07627, 10.35) [0.7585, 0.003748, 0.5094]\n", + " PeriodicSite: P (15.06, 10.16, 20.07) [0.7414, 0.5004, 0.9883]\n", + " PeriodicSite: P (15.02, 9.93, 10.11) [0.7394, 0.4889, 0.4977]\n", + " PeriodicSite: P (4.937, 5.222, 5.029) [0.243, 0.2571, 0.2476]\n", + " PeriodicSite: P (5.171, 5.085, 15.33) [0.2546, 0.2504, 0.7546]\n", + " PeriodicSite: P (4.99, 15.21, 5.202) [0.2457, 0.749, 0.2561]\n", + " PeriodicSite: P (5.132, 15.55, 15.18) [0.2526, 0.7654, 0.7472]\n", + " PeriodicSite: P (15.02, 4.944, 5.061) [0.7397, 0.2434, 0.2492]\n", + " PeriodicSite: P (15.24, 5.352, 15.21) [0.7505, 0.2635, 0.7487]\n", + " PeriodicSite: P (15.17, 15.02, 5.087) [0.7471, 0.7394, 0.2505]\n", + " PeriodicSite: P (14.98, 14.9, 15.49) [0.7374, 0.7334, 0.7624]\n", + " PeriodicSite: P (20.17, 0.07853, 5.006) [0.993, 0.003857, 0.2465]\n", + " PeriodicSite: P (0.09775, 20.3, 15.55) [0.004807, 0.9994, 0.7656]\n", + " PeriodicSite: P (0.04751, 10.25, 5.21) [0.002336, 0.5047, 0.2565]\n", + " PeriodicSite: P (0.2171, 10.38, 14.97) [0.01069, 0.5112, 0.7371]\n", + " PeriodicSite: P (10.1, 0.1881, 5.233) [0.4972, 0.009258, 0.2576]\n", + " PeriodicSite: P (10.4, 20.29, 15.64) [0.5118, 0.999, 0.7702]\n", + " PeriodicSite: P (10.29, 10.21, 4.721) [0.5065, 0.5028, 0.2324]\n", + " PeriodicSite: P (9.998, 10.27, 15.47) [0.4922, 0.5058, 0.7615]\n", + " PeriodicSite: P (0.1612, 5.279, 0.1316) [0.007933, 0.2599, 0.006481]\n", + " PeriodicSite: P (20.31, 4.941, 10.34) [0.9998, 0.2432, 0.5093]\n", + " PeriodicSite: P (20.1, 15.4, 20.16) [0.9896, 0.7581, 0.9923]\n", + " PeriodicSite: P (19.82, 15.23, 10.19) [0.9757, 0.7499, 0.5018]\n", + " PeriodicSite: P (10.07, 5.268, 0.006187) [0.4959, 0.2594, 0.0003078]\n", + " PeriodicSite: P (10.17, 4.883, 9.682) [0.5009, 0.2404, 0.4767]\n", + " PeriodicSite: P (9.89, 15.3, 0.3256) [0.4869, 0.753, 0.01603]\n", + " PeriodicSite: P (10.09, 15.34, 10.2) [0.4965, 0.7553, 0.502],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.144, 3.803, 4.54) [0.1055, 0.1872, 0.2235]\n", + " PeriodicSite: Li (2.112, 3.07, 15.7) [0.104, 0.1511, 0.7731]\n", + " PeriodicSite: Li (2.505, 12.26, 10.38) [0.1233, 0.6037, 0.5108]\n", + " PeriodicSite: Li (1.987, 15.16, 17.67) [0.09783, 0.7462, 0.87]\n", + " PeriodicSite: Li (14.91, 1.03, 7.198) [0.734, 0.05072, 0.3544]\n", + " PeriodicSite: Li (11.26, 3.426, 15.99) [0.5543, 0.1687, 0.7871]\n", + " PeriodicSite: Li (17.12, 12.01, 5.018) [0.8428, 0.5913, 0.247]\n", + " PeriodicSite: Li (16.51, 8.747, 16.66) [0.8126, 0.4306, 0.8202]\n", + " PeriodicSite: Li (3.428, 4.796, 8.77) [0.1688, 0.2361, 0.4318]\n", + " PeriodicSite: Li (2.892, 0.3833, 17.19) [0.1424, 0.01887, 0.8465]\n", + " PeriodicSite: Li (5.185, 7.798, 5.991) [0.2553, 0.3839, 0.2949]\n", + " PeriodicSite: Li (6.687, 10.5, 13.15) [0.3292, 0.5171, 0.6472]\n", + " PeriodicSite: Li (12.25, 4.45, 6.125) [0.6033, 0.2191, 0.3015]\n", + " PeriodicSite: Li (13.36, 6.754, 19.65) [0.6578, 0.3325, 0.9673]\n", + " PeriodicSite: Li (11.74, 9.978, 12.33) [0.5778, 0.4912, 0.6071]\n", + " PeriodicSite: Li (9.99, 18.94, 18.3) [0.4918, 0.9326, 0.9011]\n", + " PeriodicSite: Li (5.019, 1.937, 7.412) [0.2471, 0.09536, 0.3649]\n", + " PeriodicSite: Li (4.614, 2.403, 16.67) [0.2271, 0.1183, 0.8207]\n", + " PeriodicSite: Li (4.565, 11.33, 7.059) [0.2247, 0.5579, 0.3475]\n", + " PeriodicSite: Li (5.485, 12.59, 14.6) [0.27, 0.6198, 0.7185]\n", + " PeriodicSite: Li (12.46, 0.416, 9.47) [0.6135, 0.02047, 0.4662]\n", + " PeriodicSite: Li (10.61, 1.971, 19.39) [0.5221, 0.09702, 0.9547]\n", + " PeriodicSite: Li (12.86, 14.38, 9.476) [0.6329, 0.7082, 0.4665]\n", + " PeriodicSite: Li (11.38, 10.83, 18.29) [0.5601, 0.5334, 0.9004]\n", + " PeriodicSite: Li (0.42, 2.739, 7.155) [0.02068, 0.1348, 0.3523]\n", + " PeriodicSite: Li (1.011, 2.203, 19.37) [0.04977, 0.1085, 0.9538]\n", + " PeriodicSite: Li (0.1733, 13.13, 7.452) [0.008526, 0.6465, 0.3669]\n", + " PeriodicSite: Li (3.048, 13.64, 0.2765) [0.1501, 0.6716, 0.01361]\n", + " PeriodicSite: Li (13.47, 1.734, 5.326) [0.6632, 0.08538, 0.2622]\n", + " PeriodicSite: Li (13.43, 0.0944, 16.98) [0.6614, 0.004643, 0.8359]\n", + " PeriodicSite: Li (11.56, 10.51, 8.209) [0.5691, 0.5176, 0.4041]\n", + " PeriodicSite: Li (12.67, 14.87, 19.08) [0.6239, 0.7322, 0.9393]\n", + " PeriodicSite: Li (6.607, 2.117, 4.844) [0.3253, 0.1042, 0.2385]\n", + " PeriodicSite: Li (1.909, 20.04, 1.937) [0.09395, 0.9866, 0.09535]\n", + " PeriodicSite: Li (5.144, 13.39, 8.647) [0.2532, 0.6594, 0.4257]\n", + " PeriodicSite: Li (20.05, 16.84, 13.3) [0.9869, 0.8288, 0.6548]\n", + " PeriodicSite: Li (15.05, 3.374, 8.233) [0.7408, 0.1661, 0.4053]\n", + " PeriodicSite: Li (14.23, 2.543, 19.64) [0.7004, 0.1252, 0.9671]\n", + " PeriodicSite: Li (16.09, 15.29, 8.122) [0.7919, 0.7529, 0.3999]\n", + " PeriodicSite: Li (13.68, 13.36, 1.385) [0.6733, 0.6576, 0.0682]\n", + " PeriodicSite: Li (4.428, 1.55, 3.376) [0.218, 0.07633, 0.1662]\n", + " PeriodicSite: Li (4.069, 2.997, 19.88) [0.2003, 0.1475, 0.9788]\n", + " PeriodicSite: Li (2.125, 13.03, 5.662) [0.1046, 0.6417, 0.2787]\n", + " PeriodicSite: Li (19.49, 11.26, 2.144) [0.9593, 0.5541, 0.1055]\n", + " PeriodicSite: Li (10.6, 1.89, 7.912) [0.5217, 0.09302, 0.3895]\n", + " PeriodicSite: Li (17.09, 19.79, 17.11) [0.8411, 0.9743, 0.8423]\n", + " PeriodicSite: Li (14.34, 11.23, 7.338) [0.7058, 0.5529, 0.3613]\n", + " PeriodicSite: Li (15.1, 11.64, 16.91) [0.7434, 0.5729, 0.8326]\n", + " PeriodicSite: Li (5.058, 11.31, 17.31) [0.249, 0.5568, 0.8521]\n", + " PeriodicSite: Li (1.987, 10.25, 8.095) [0.09781, 0.5047, 0.3985]\n", + " PeriodicSite: Li (2.795, 17.58, 0.2158) [0.1376, 0.8656, 0.01063]\n", + " PeriodicSite: Li (2.419, 0.9757, 9.472) [0.1191, 0.04803, 0.4663]\n", + " PeriodicSite: Li (12.43, 5.356, 2.672) [0.612, 0.2637, 0.1316]\n", + " PeriodicSite: Li (13.21, 9.862, 15.75) [0.6504, 0.4855, 0.7756]\n", + " PeriodicSite: Li (12.04, 14.49, 6.176) [0.593, 0.7136, 0.304]\n", + " PeriodicSite: Li (15.01, 18.63, 13.38) [0.7389, 0.9173, 0.6587]\n", + " PeriodicSite: Li (3.579, 5.866, 1.281) [0.1762, 0.2888, 0.06308]\n", + " PeriodicSite: Li (3.736, 4.003, 11.77) [0.1839, 0.1971, 0.5796]\n", + " PeriodicSite: Li (6.768, 16.61, 20.27) [0.3332, 0.8179, 0.9977]\n", + " PeriodicSite: Li (4.583, 18.67, 15.09) [0.2256, 0.9192, 0.7429]\n", + " PeriodicSite: Li (15.75, 6.355, 1.399) [0.7752, 0.3129, 0.06886]\n", + " PeriodicSite: Li (10.27, 6.846, 12.93) [0.5055, 0.337, 0.6364]\n", + " PeriodicSite: Li (13.16, 18.57, 4.869) [0.6477, 0.9144, 0.2397]\n", + " PeriodicSite: Li (11.21, 17.36, 14.88) [0.5518, 0.8549, 0.7326]\n", + " PeriodicSite: Li (1.14, 8.492, 0.9426) [0.05613, 0.4181, 0.04641]\n", + " PeriodicSite: Li (4.654, 7.323, 10.89) [0.2291, 0.3605, 0.5359]\n", + " PeriodicSite: Li (3.698, 15.99, 2.553) [0.182, 0.7871, 0.1257]\n", + " PeriodicSite: Li (2.866, 15.54, 11.66) [0.1411, 0.7651, 0.5738]\n", + " PeriodicSite: Li (12.03, 9.543, 1.522) [0.5921, 0.4698, 0.07493]\n", + " PeriodicSite: Li (12.64, 7.113, 14.86) [0.6223, 0.3502, 0.7318]\n", + " PeriodicSite: Li (11.92, 15.78, 3.379) [0.5866, 0.7769, 0.1664]\n", + " PeriodicSite: Li (13.42, 15.53, 12.82) [0.6607, 0.7644, 0.631]\n", + " PeriodicSite: Li (0.6049, 7.241, 3.77) [0.02978, 0.3565, 0.1856]\n", + " PeriodicSite: Li (17.52, 5.591, 9.311) [0.8625, 0.2753, 0.4584]\n", + " PeriodicSite: Li (2.023, 17.53, 4.809) [0.0996, 0.863, 0.2368]\n", + " PeriodicSite: Li (1.16, 17.98, 10.45) [0.05711, 0.8852, 0.5143]\n", + " PeriodicSite: Li (10.23, 7.168, 3.016) [0.5038, 0.3529, 0.1485]\n", + " PeriodicSite: Li (14.63, 8.821, 13.01) [0.7201, 0.4343, 0.6403]\n", + " PeriodicSite: Li (12.92, 17.5, 0.1621) [0.6361, 0.8616, 0.007986]\n", + " PeriodicSite: Li (8.504, 15.08, 17.04) [0.4187, 0.7426, 0.8388]\n", + " PeriodicSite: Li (5.363, 8.774, 3.191) [0.264, 0.432, 0.1571]\n", + " PeriodicSite: Li (1.31, 9.259, 11.82) [0.06452, 0.4558, 0.5819]\n", + " PeriodicSite: Li (20.12, 17.79, 2.315) [0.9905, 0.8757, 0.114]\n", + " PeriodicSite: Li (1.09, 19.56, 12.93) [0.05364, 0.963, 0.6368]\n", + " PeriodicSite: Li (16.04, 10.89, 2.708) [0.7897, 0.5359, 0.1333]\n", + " PeriodicSite: Li (12.55, 7.63, 10.22) [0.6179, 0.3756, 0.5033]\n", + " PeriodicSite: Li (11.91, 0.3571, 1.559) [0.5861, 0.01757, 0.07674]\n", + " PeriodicSite: Li (13.07, 17.02, 10.45) [0.6436, 0.8378, 0.5146]\n", + " PeriodicSite: Li (6.614, 5.139, 1.928) [0.3256, 0.253, 0.0949]\n", + " PeriodicSite: Li (5.133, 8.339, 13.53) [0.2527, 0.4105, 0.6659]\n", + " PeriodicSite: Li (4.303, 18.98, 3.434) [0.2118, 0.9343, 0.1691]\n", + " PeriodicSite: Li (2.085, 16.35, 14.64) [0.1026, 0.8047, 0.721]\n", + " PeriodicSite: Li (13.46, 11.28, 4.478) [0.6629, 0.5554, 0.2205]\n", + " PeriodicSite: Li (14.01, 5.729, 11.99) [0.6899, 0.282, 0.5901]\n", + " PeriodicSite: Li (14.64, 16.65, 2.289) [0.7209, 0.8197, 0.1127]\n", + " PeriodicSite: Li (15.6, 1.964, 16.42) [0.7682, 0.09669, 0.8086]\n", + " PeriodicSite: Li (9.728, 2.963, 3.192) [0.4789, 0.1458, 0.1571]\n", + " PeriodicSite: Li (9.715, 3.191, 13.08) [0.4783, 0.1571, 0.644]\n", + " PeriodicSite: Li (5.349, 12.08, 3.203) [0.2633, 0.5948, 0.1577]\n", + " PeriodicSite: Li (3.089, 9.54, 14.63) [0.1521, 0.4696, 0.7204]\n", + " PeriodicSite: Li (16.99, 1.563, 4.451) [0.8362, 0.07692, 0.2191]\n", + " PeriodicSite: Li (12.64, 4.377, 9.419) [0.6221, 0.2155, 0.4637]\n", + " PeriodicSite: Li (18.22, 12.45, 0.04337) [0.8972, 0.6127, 0.002141]\n", + " PeriodicSite: Li (17.47, 9.714, 13.23) [0.8602, 0.4782, 0.6513]\n", + " PeriodicSite: Li (6.631, 18.41, 5.213) [0.3264, 0.9062, 0.2567]\n", + " PeriodicSite: Li (7.568, 2.176, 15.44) [0.3726, 0.1071, 0.7602]\n", + " PeriodicSite: Li (9.547, 12.2, 1.037) [0.47, 0.6005, 0.05104]\n", + " PeriodicSite: Li (9.097, 14.7, 12.94) [0.4478, 0.7239, 0.6369]\n", + " PeriodicSite: Li (14.68, 19.71, 2.991) [0.7227, 0.9704, 0.1473]\n", + " PeriodicSite: Li (19.77, 2.1, 11.44) [0.9731, 0.1034, 0.5633]\n", + " PeriodicSite: Li (18.26, 14.1, 4.703) [0.8991, 0.694, 0.2315]\n", + " PeriodicSite: Li (16.77, 14.75, 12.34) [0.8254, 0.7262, 0.6075]\n", + " PeriodicSite: Li (7.905, 5.924, 5.289) [0.3891, 0.2917, 0.2604]\n", + " PeriodicSite: Li (7.498, 20.21, 12.91) [0.3691, 0.9951, 0.6355]\n", + " PeriodicSite: Li (9.733, 13.17, 4.158) [0.4792, 0.6481, 0.2047]\n", + " PeriodicSite: Li (5.452, 13.9, 11.78) [0.2684, 0.6842, 0.5798]\n", + " PeriodicSite: Li (19.91, 2.765, 1.365) [0.9801, 0.1361, 0.06721]\n", + " PeriodicSite: Li (17.79, 5.12, 12.32) [0.8758, 0.2521, 0.6065]\n", + " PeriodicSite: Li (16.78, 14.55, 1.751) [0.8261, 0.7165, 0.0862]\n", + " PeriodicSite: Li (15.15, 12.0, 13.0) [0.746, 0.591, 0.6402]\n", + " PeriodicSite: Li (2.82, 0.1941, 5.973) [0.1388, 0.009553, 0.2941]\n", + " PeriodicSite: Li (5.081, 1.881, 13.6) [0.2501, 0.09258, 0.6697]\n", + " PeriodicSite: Li (6.02, 13.05, 0.7082) [0.2964, 0.6423, 0.03487]\n", + " PeriodicSite: Li (7.892, 6.938, 15.53) [0.3885, 0.3416, 0.7646]\n", + " PeriodicSite: Li (18.02, 4.333, 4.009) [0.8871, 0.2133, 0.1974]\n", + " PeriodicSite: Li (17.23, 0.597, 13.96) [0.8481, 0.02939, 0.687]\n", + " PeriodicSite: Li (15.72, 13.66, 19.08) [0.7739, 0.6723, 0.9392]\n", + " PeriodicSite: Li (19.57, 11.96, 11.09) [0.9633, 0.589, 0.5458]\n", + " PeriodicSite: Li (7.089, 3.361, 0.08859) [0.349, 0.1654, 0.004363]\n", + " PeriodicSite: Li (6.183, 2.817, 11.05) [0.3044, 0.1387, 0.5441]\n", + " PeriodicSite: Li (7.82, 10.22, 1.973) [0.385, 0.5031, 0.09713]\n", + " PeriodicSite: Li (8.596, 12.09, 10.34) [0.4232, 0.5954, 0.5092]\n", + " PeriodicSite: Li (15.44, 3.055, 1.886) [0.7599, 0.1504, 0.09286]\n", + " PeriodicSite: Li (15.82, 3.0, 11.2) [0.7786, 0.1477, 0.5514]\n", + " PeriodicSite: Li (1.44, 10.94, 18.28) [0.07087, 0.5384, 0.8999]\n", + " PeriodicSite: Li (19.96, 12.96, 14.23) [0.9829, 0.6383, 0.7004]\n", + " PeriodicSite: Li (7.557, 0.253, 2.214) [0.372, 0.01245, 0.109]\n", + " PeriodicSite: Li (8.733, 2.382, 10.51) [0.4299, 0.1172, 0.5176]\n", + " PeriodicSite: Li (7.123, 12.16, 5.165) [0.3507, 0.5986, 0.2543]\n", + " PeriodicSite: Li (4.698, 17.38, 11.61) [0.2313, 0.8554, 0.5715]\n", + " PeriodicSite: Li (17.31, 3.614, 0.2467) [0.852, 0.1779, 0.01215]\n", + " PeriodicSite: Li (2.027, 6.446, 14.24) [0.09979, 0.3173, 0.7012]\n", + " PeriodicSite: Li (2.909, 15.15, 8.165) [0.1432, 0.7461, 0.402]\n", + " PeriodicSite: Li (16.91, 12.98, 10.22) [0.8327, 0.639, 0.5034]\n", + " PeriodicSite: Li (14.14, 8.514, 4.589) [0.6964, 0.4191, 0.2259]\n", + " PeriodicSite: Li (5.177, 8.508, 17.02) [0.2549, 0.4188, 0.838]\n", + " PeriodicSite: Li (7.074, 15.86, 9.643) [0.3482, 0.7809, 0.4747]\n", + " PeriodicSite: Li (5.337, 14.14, 18.48) [0.2628, 0.6962, 0.9096]\n", + " PeriodicSite: Li (16.91, 9.543, 7.369) [0.8326, 0.4698, 0.3628]\n", + " PeriodicSite: Li (1.803, 4.882, 18.01) [0.08875, 0.2404, 0.8865]\n", + " PeriodicSite: Li (17.05, 18.35, 5.545) [0.8393, 0.9034, 0.273]\n", + " PeriodicSite: Li (20.1, 19.2, 18.42) [0.9895, 0.9452, 0.9069]\n", + " PeriodicSite: Li (7.4, 9.473, 5.737) [0.3643, 0.4663, 0.2824]\n", + " PeriodicSite: Li (9.692, 5.79, 17.33) [0.4772, 0.285, 0.853]\n", + " PeriodicSite: Li (8.112, 20.27, 8.033) [0.3994, 0.9981, 0.3955]\n", + " PeriodicSite: Li (7.392, 17.92, 15.41) [0.3639, 0.8822, 0.7585]\n", + " PeriodicSite: Li (18.96, 8.504, 9.347) [0.9333, 0.4187, 0.4602]\n", + " PeriodicSite: Li (18.76, 3.848, 16.41) [0.9235, 0.1894, 0.8077]\n", + " PeriodicSite: Li (17.69, 19.99, 8.061) [0.8708, 0.9839, 0.3969]\n", + " PeriodicSite: Li (19.05, 15.74, 17.27) [0.9379, 0.775, 0.8503]\n", + " PeriodicSite: Li (6.794, 5.477, 8.411) [0.3345, 0.2696, 0.4141]\n", + " PeriodicSite: Li (5.341, 6.008, 18.1) [0.2629, 0.2958, 0.8909]\n", + " PeriodicSite: Li (9.678, 18.0, 8.919) [0.4765, 0.8862, 0.4391]\n", + " PeriodicSite: Li (12.21, 14.0, 15.99) [0.6009, 0.6891, 0.787]\n", + " PeriodicSite: Li (0.2955, 7.092, 7.136) [0.01455, 0.3492, 0.3513]\n", + " PeriodicSite: Li (19.74, 7.438, 16.14) [0.972, 0.3662, 0.7944]\n", + " PeriodicSite: Li (16.28, 17.33, 10.07) [0.8013, 0.8532, 0.4957]\n", + " PeriodicSite: Li (16.89, 16.8, 19.84) [0.8316, 0.8268, 0.9766]\n", + " PeriodicSite: Li (8.767, 8.411, 9.454) [0.4316, 0.4141, 0.4654]\n", + " PeriodicSite: Li (6.738, 7.047, 19.81) [0.3317, 0.3469, 0.9753]\n", + " PeriodicSite: Li (5.487, 17.38, 7.978) [0.2701, 0.8558, 0.3928]\n", + " PeriodicSite: Li (7.206, 14.69, 2.296) [0.3547, 0.723, 0.113]\n", + " PeriodicSite: Li (15.33, 6.874, 8.355) [0.7547, 0.3384, 0.4113]\n", + " PeriodicSite: Li (18.12, 9.079, 19.63) [0.8918, 0.447, 0.9662]\n", + " PeriodicSite: Li (15.02, 18.35, 7.376) [0.7396, 0.9035, 0.3632]\n", + " PeriodicSite: Li (14.59, 17.94, 16.09) [0.7184, 0.8834, 0.7921]\n", + " PeriodicSite: Li (7.117, 4.83, 12.3) [0.3504, 0.2378, 0.6054]\n", + " PeriodicSite: Li (7.453, 9.644, 16.78) [0.3669, 0.4748, 0.8259]\n", + " PeriodicSite: Li (9.247, 17.81, 5.681) [0.4552, 0.8768, 0.2797]\n", + " PeriodicSite: Li (10.32, 17.97, 1.972) [0.508, 0.8845, 0.09707]\n", + " PeriodicSite: Li (17.29, 8.199, 5.148) [0.8512, 0.4037, 0.2535]\n", + " PeriodicSite: Li (16.13, 6.158, 18.24) [0.7943, 0.3032, 0.8977]\n", + " PeriodicSite: Li (19.49, 17.08, 7.235) [0.9598, 0.8406, 0.3562]\n", + " PeriodicSite: Li (18.21, 0.3313, 1.77) [0.8965, 0.0163, 0.08715]\n", + " PeriodicSite: Li (3.046, 10.22, 4.509) [0.15, 0.5032, 0.222]\n", + " PeriodicSite: Li (9.451, 8.511, 18.85) [0.4653, 0.419, 0.9281]\n", + " PeriodicSite: Li (8.408, 15.61, 7.001) [0.4139, 0.7684, 0.3447]\n", + " PeriodicSite: Li (6.459, 20.02, 17.3) [0.318, 0.9856, 0.8519]\n", + " PeriodicSite: Li (18.61, 4.669, 6.996) [0.9161, 0.2298, 0.3444]\n", + " PeriodicSite: Li (17.43, 12.15, 14.78) [0.8581, 0.598, 0.7277]\n", + " PeriodicSite: Li (0.8679, 14.44, 3.328) [0.04272, 0.711, 0.1638]\n", + " PeriodicSite: Li (13.38, 1.363, 13.98) [0.6588, 0.06711, 0.6882]\n", + " PeriodicSite: Cl (7.279, 12.93, 12.86) [0.3583, 0.6364, 0.6331]\n", + " PeriodicSite: Cl (3.093, 13.18, 18.17) [0.1523, 0.6488, 0.8943]\n", + " PeriodicSite: Cl (12.79, 17.67, 12.66) [0.6295, 0.87, 0.6231]\n", + " PeriodicSite: Cl (17.92, 7.501, 17.93) [0.8823, 0.3693, 0.8825]\n", + " PeriodicSite: Cl (7.321, 2.651, 2.46) [0.3604, 0.1305, 0.1211]\n", + " PeriodicSite: Cl (7.219, 7.71, 7.412) [0.3554, 0.3796, 0.3649]\n", + " PeriodicSite: Cl (12.56, 12.74, 7.633) [0.6184, 0.6271, 0.3758]\n", + " PeriodicSite: Cl (2.421, 8.019, 2.565) [0.1192, 0.3948, 0.1263]\n", + " PeriodicSite: Cl (2.992, 7.66, 12.62) [0.1473, 0.3771, 0.6212]\n", + " PeriodicSite: Cl (12.85, 12.49, 17.8) [0.6327, 0.6151, 0.8765]\n", + " PeriodicSite: Cl (17.82, 17.6, 17.67) [0.8774, 0.8663, 0.8701]\n", + " PeriodicSite: Cl (2.806, 2.546, 7.338) [0.1382, 0.1253, 0.3612]\n", + " PeriodicSite: Cl (12.74, 2.56, 17.77) [0.6272, 0.126, 0.8751]\n", + " PeriodicSite: Cl (12.68, 7.441, 2.308) [0.6243, 0.3663, 0.1136]\n", + " PeriodicSite: Cl (17.7, 2.69, 12.8) [0.8715, 0.1324, 0.6302]\n", + " PeriodicSite: Cl (8.017, 17.74, 17.78) [0.3947, 0.8734, 0.8754]\n", + " PeriodicSite: Cl (20.27, 0.382, 0.3184) [0.9981, 0.0188, 0.01568]\n", + " PeriodicSite: Cl (0.3345, 20.23, 10.37) [0.01646, 0.9962, 0.5108]\n", + " PeriodicSite: Cl (20.05, 10.25, 20.13) [0.9869, 0.5048, 0.9911]\n", + " PeriodicSite: Cl (0.1905, 10.29, 9.813) [0.009375, 0.5066, 0.4831]\n", + " PeriodicSite: Cl (10.36, 20.25, 0.0217) [0.5101, 0.9969, 0.001073]\n", + " PeriodicSite: Cl (10.12, 20.3, 9.522) [0.4983, 0.9992, 0.4688]\n", + " PeriodicSite: Cl (10.22, 10.27, 20.29) [0.503, 0.5057, 0.9988]\n", + " PeriodicSite: Cl (10.04, 10.21, 10.29) [0.4943, 0.5025, 0.5065]\n", + " PeriodicSite: Cl (20.05, 4.836, 5.349) [0.987, 0.2381, 0.2633]\n", + " PeriodicSite: Cl (0.3957, 5.194, 15.63) [0.01948, 0.2557, 0.7694]\n", + " PeriodicSite: Cl (0.08143, 15.27, 5.277) [0.004003, 0.7516, 0.2598]\n", + " PeriodicSite: Cl (0.3182, 14.98, 15.52) [0.01566, 0.7374, 0.7643]\n", + " PeriodicSite: Cl (10.01, 5.251, 4.333) [0.4928, 0.2585, 0.2133]\n", + " PeriodicSite: Cl (10.06, 5.105, 14.94) [0.4951, 0.2513, 0.7356]\n", + " PeriodicSite: Cl (10.1, 15.26, 5.38) [0.4974, 0.7511, 0.2649]\n", + " PeriodicSite: Cl (10.05, 15.36, 14.85) [0.495, 0.7564, 0.7311]\n", + " PeriodicSite: S (5.09, 0.1974, 5.212) [0.2506, 0.009715, 0.2566]\n", + " PeriodicSite: S (5.485, 0.5346, 15.65) [0.27, 0.02632, 0.7705]\n", + " PeriodicSite: S (5.162, 10.35, 5.108) [0.2541, 0.5096, 0.2515]\n", + " PeriodicSite: S (5.295, 10.15, 15.1) [0.2607, 0.4998, 0.7433]\n", + " PeriodicSite: S (15.25, 20.16, 5.199) [0.7506, 0.9923, 0.256]\n", + " PeriodicSite: S (15.13, 20.23, 15.58) [0.745, 0.996, 0.7669]\n", + " PeriodicSite: S (15.47, 10.25, 5.318) [0.7616, 0.5047, 0.2618]\n", + " PeriodicSite: S (15.82, 10.27, 14.91) [0.7788, 0.5055, 0.7338]\n", + " PeriodicSite: S (5.254, 5.305, 20.21) [0.2587, 0.2612, 0.995]\n", + " PeriodicSite: S (5.272, 5.136, 10.55) [0.2595, 0.2528, 0.5195]\n", + " PeriodicSite: S (5.081, 15.03, 0.6038) [0.2501, 0.7398, 0.02973]\n", + " PeriodicSite: S (4.828, 15.43, 10.06) [0.2377, 0.7596, 0.4952]\n", + " PeriodicSite: S (15.06, 4.691, 0.02905) [0.7413, 0.231, 0.001435]\n", + " PeriodicSite: S (15.13, 5.04, 9.871) [0.7451, 0.2481, 0.486]\n", + " PeriodicSite: S (14.91, 15.12, 0.3139) [0.7338, 0.7443, 0.01546]\n", + " PeriodicSite: S (15.22, 15.24, 10.46) [0.7494, 0.7504, 0.5149]\n", + " PeriodicSite: S (8.635, 4.093, 8.73) [0.4251, 0.2015, 0.4298]\n", + " PeriodicSite: S (8.985, 3.958, 18.75) [0.4424, 0.1948, 0.9232]\n", + " PeriodicSite: S (8.782, 14.14, 8.785) [0.4323, 0.6959, 0.4325]\n", + " PeriodicSite: S (9.03, 14.0, 19.15) [0.4446, 0.6893, 0.9427]\n", + " PeriodicSite: S (19.21, 3.773, 8.981) [0.9456, 0.1857, 0.4421]\n", + " PeriodicSite: S (19.36, 3.807, 19.32) [0.9533, 0.1874, 0.9511]\n", + " PeriodicSite: S (18.78, 13.75, 9.007) [0.9248, 0.6769, 0.4434]\n", + " PeriodicSite: S (18.75, 14.13, 19.01) [0.9232, 0.6955, 0.9358]\n", + " PeriodicSite: S (3.671, 1.196, 1.182) [0.1807, 0.05886, 0.05819]\n", + " PeriodicSite: S (4.067, 1.411, 11.24) [0.2002, 0.06948, 0.5532]\n", + " PeriodicSite: S (4.046, 11.73, 1.133) [0.1992, 0.5773, 0.05576]\n", + " PeriodicSite: S (4.509, 11.63, 11.63) [0.222, 0.5727, 0.5728]\n", + " PeriodicSite: S (14.23, 1.016, 1.159) [0.7006, 0.05003, 0.05708]\n", + " PeriodicSite: S (14.04, 1.384, 11.42) [0.6911, 0.06813, 0.562]\n", + " PeriodicSite: S (14.07, 11.08, 1.219) [0.6925, 0.5454, 0.06001]\n", + " PeriodicSite: S (13.6, 11.18, 11.17) [0.6695, 0.5504, 0.55]\n", + " PeriodicSite: S (6.627, 1.483, 9.12) [0.3263, 0.07303, 0.449]\n", + " PeriodicSite: S (6.38, 1.152, 19.74) [0.3141, 0.05673, 0.9718]\n", + " PeriodicSite: S (6.586, 11.29, 9.092) [0.3242, 0.556, 0.4476]\n", + " PeriodicSite: S (6.424, 11.58, 19.15) [0.3163, 0.5702, 0.9426]\n", + " PeriodicSite: S (16.34, 1.247, 9.265) [0.8045, 0.06139, 0.4561]\n", + " PeriodicSite: S (16.43, 1.091, 19.07) [0.8087, 0.05372, 0.939]\n", + " PeriodicSite: S (16.08, 11.16, 8.944) [0.7916, 0.5495, 0.4403]\n", + " PeriodicSite: S (16.34, 10.91, 18.9) [0.8047, 0.5371, 0.9307]\n", + " PeriodicSite: S (1.536, 3.92, 1.196) [0.07564, 0.193, 0.0589]\n", + " PeriodicSite: S (1.294, 3.844, 11.26) [0.06371, 0.1892, 0.5545]\n", + " PeriodicSite: S (0.689, 13.89, 0.9801) [0.03391, 0.6839, 0.04825]\n", + " PeriodicSite: S (0.9323, 13.98, 11.46) [0.04589, 0.6885, 0.5643]\n", + " PeriodicSite: S (11.05, 3.931, 1.123) [0.5442, 0.1935, 0.05531]\n", + " PeriodicSite: S (10.9, 3.815, 11.04) [0.5365, 0.1878, 0.5435]\n", + " PeriodicSite: S (11.0, 14.25, 1.508) [0.5417, 0.7014, 0.07425]\n", + " PeriodicSite: S (10.98, 14.01, 11.36) [0.5406, 0.6898, 0.5595]\n", + " PeriodicSite: S (2.691, 2.867, 17.99) [0.1325, 0.1411, 0.8856]\n", + " PeriodicSite: S (2.528, 12.74, 7.858) [0.1244, 0.6272, 0.3868]\n", + " PeriodicSite: S (12.93, 2.256, 7.623) [0.6367, 0.1111, 0.3753]\n", + " PeriodicSite: S (8.908, 9.037, 3.74) [0.4386, 0.4449, 0.1841]\n", + " PeriodicSite: S (8.605, 9.113, 14.26) [0.4237, 0.4486, 0.7019]\n", + " PeriodicSite: S (8.727, 19.29, 3.811) [0.4296, 0.9498, 0.1876]\n", + " PeriodicSite: S (9.154, 19.02, 14.11) [0.4507, 0.9365, 0.6948]\n", + " PeriodicSite: S (19.14, 9.194, 3.642) [0.9421, 0.4526, 0.1793]\n", + " PeriodicSite: S (19.73, 8.629, 13.81) [0.9712, 0.4248, 0.6801]\n", + " PeriodicSite: S (18.88, 19.28, 4.091) [0.9296, 0.949, 0.2014]\n", + " PeriodicSite: S (19.22, 19.02, 14.24) [0.9463, 0.9364, 0.7009]\n", + " PeriodicSite: S (3.354, 5.915, 6.255) [0.1651, 0.2912, 0.308]\n", + " PeriodicSite: S (3.835, 6.524, 16.22) [0.1888, 0.3212, 0.7984]\n", + " PeriodicSite: S (3.607, 16.56, 6.217) [0.1776, 0.8153, 0.3061]\n", + " PeriodicSite: S (4.047, 16.59, 16.31) [0.1992, 0.8168, 0.8028]\n", + " PeriodicSite: S (14.04, 6.407, 6.253) [0.691, 0.3154, 0.3079]\n", + " PeriodicSite: S (14.2, 6.386, 16.62) [0.6992, 0.3144, 0.818]\n", + " PeriodicSite: S (14.04, 16.44, 6.449) [0.6911, 0.8094, 0.3175]\n", + " PeriodicSite: S (13.7, 15.9, 16.92) [0.6745, 0.7828, 0.8332]\n", + " PeriodicSite: S (6.097, 6.527, 3.937) [0.3002, 0.3213, 0.1938]\n", + " PeriodicSite: S (6.125, 6.364, 13.85) [0.3015, 0.3133, 0.6818]\n", + " PeriodicSite: S (5.87, 16.47, 3.814) [0.289, 0.811, 0.1877]\n", + " PeriodicSite: S (6.074, 16.94, 13.78) [0.299, 0.8342, 0.6785]\n", + " PeriodicSite: S (16.35, 6.139, 3.815) [0.8052, 0.3022, 0.1878]\n", + " PeriodicSite: S (15.82, 6.309, 13.67) [0.7789, 0.3106, 0.6732]\n", + " PeriodicSite: S (16.41, 16.24, 3.713) [0.8077, 0.7994, 0.1828]\n", + " PeriodicSite: S (15.97, 16.05, 14.44) [0.7862, 0.7903, 0.7111]\n", + " PeriodicSite: S (1.328, 8.958, 5.977) [0.0654, 0.441, 0.2943]\n", + " PeriodicSite: S (1.336, 9.107, 16.37) [0.06576, 0.4483, 0.8058]\n", + " PeriodicSite: S (1.089, 18.85, 6.428) [0.05362, 0.928, 0.3165]\n", + " PeriodicSite: S (1.133, 18.92, 16.47) [0.0558, 0.9316, 0.8107]\n", + " PeriodicSite: S (11.68, 9.073, 5.648) [0.5751, 0.4467, 0.2781]\n", + " PeriodicSite: S (11.1, 8.953, 16.55) [0.5463, 0.4408, 0.8148]\n", + " PeriodicSite: S (11.2, 18.88, 5.97) [0.5512, 0.9296, 0.2939]\n", + " PeriodicSite: S (11.53, 19.25, 16.45) [0.5675, 0.9477, 0.8096]\n", + " PeriodicSite: S (2.376, 17.94, 2.508) [0.117, 0.8834, 0.1235]\n", + " PeriodicSite: S (1.98, 17.68, 12.66) [0.09746, 0.8702, 0.6234]\n", + " PeriodicSite: S (12.38, 7.892, 12.56) [0.6093, 0.3885, 0.6185]\n", + " PeriodicSite: S (12.72, 17.82, 2.575) [0.6263, 0.8772, 0.1268]\n", + " PeriodicSite: S (4.158, 3.983, 3.459) [0.2047, 0.1961, 0.1703]\n", + " PeriodicSite: S (3.797, 3.858, 14.16) [0.1869, 0.19, 0.697]\n", + " PeriodicSite: S (3.797, 14.05, 3.951) [0.1869, 0.6918, 0.1945]\n", + " PeriodicSite: S (3.93, 14.19, 13.88) [0.1935, 0.6984, 0.6835]\n", + " PeriodicSite: S (13.98, 3.726, 4.158) [0.6881, 0.1834, 0.2047]\n", + " PeriodicSite: S (13.7, 3.891, 14.41) [0.6747, 0.1915, 0.7096]\n", + " PeriodicSite: S (13.6, 14.07, 4.196) [0.6696, 0.6926, 0.2066]\n", + " PeriodicSite: S (13.77, 13.63, 14.45) [0.6781, 0.6711, 0.7112]\n", + " PeriodicSite: S (9.237, 1.376, 6.201) [0.4548, 0.06773, 0.3053]\n", + " PeriodicSite: S (8.905, 0.7808, 16.83) [0.4384, 0.03844, 0.8287]\n", + " PeriodicSite: S (9.375, 11.53, 5.92) [0.4615, 0.5677, 0.2914]\n", + " PeriodicSite: S (8.972, 11.35, 16.7) [0.4417, 0.5587, 0.8221]\n", + " PeriodicSite: S (19.03, 1.076, 6.596) [0.937, 0.05295, 0.3247]\n", + " PeriodicSite: S (19.19, 1.043, 16.82) [0.9446, 0.05132, 0.8282]\n", + " PeriodicSite: S (19.03, 11.14, 6.537) [0.9371, 0.5486, 0.3218]\n", + " PeriodicSite: S (19.48, 11.48, 16.17) [0.9591, 0.5651, 0.796]\n", + " PeriodicSite: S (1.342, 1.104, 4.351) [0.06607, 0.05435, 0.2142]\n", + " PeriodicSite: S (0.9394, 1.357, 14.15) [0.04625, 0.06679, 0.6967]\n", + " PeriodicSite: S (1.09, 11.36, 3.945) [0.05368, 0.5595, 0.1942]\n", + " PeriodicSite: S (1.403, 11.13, 13.44) [0.06908, 0.5482, 0.6616]\n", + " PeriodicSite: S (11.53, 1.18, 3.751) [0.5675, 0.05808, 0.1847]\n", + " PeriodicSite: S (10.96, 1.562, 14.31) [0.5395, 0.07689, 0.7047]\n", + " PeriodicSite: S (11.21, 11.37, 3.185) [0.552, 0.5599, 0.1568]\n", + " PeriodicSite: S (11.39, 11.24, 14.24) [0.5607, 0.5535, 0.7009]\n", + " PeriodicSite: S (6.218, 4.2, 6.181) [0.3061, 0.2068, 0.3043]\n", + " PeriodicSite: S (6.373, 4.253, 16.5) [0.3138, 0.2094, 0.8123]\n", + " PeriodicSite: S (5.989, 14.39, 6.577) [0.2949, 0.7083, 0.3238]\n", + " PeriodicSite: S (6.388, 14.37, 15.89) [0.3145, 0.7074, 0.7824]\n", + " PeriodicSite: S (16.58, 3.873, 6.214) [0.8161, 0.1907, 0.3059]\n", + " PeriodicSite: S (16.54, 4.159, 16.42) [0.8144, 0.2048, 0.8084]\n", + " PeriodicSite: S (16.2, 13.91, 6.213) [0.7977, 0.6847, 0.3059]\n", + " PeriodicSite: S (16.51, 13.95, 16.6) [0.8129, 0.687, 0.8175]\n", + " PeriodicSite: S (7.511, 2.627, 12.8) [0.3698, 0.1293, 0.6303]\n", + " PeriodicSite: S (7.72, 12.39, 2.731) [0.3801, 0.6102, 0.1344]\n", + " PeriodicSite: S (17.63, 2.497, 2.407) [0.868, 0.1229, 0.1185]\n", + " PeriodicSite: S (17.71, 12.63, 2.793) [0.872, 0.6218, 0.1375]\n", + " PeriodicSite: S (17.74, 12.34, 12.58) [0.8732, 0.6077, 0.6192]\n", + " PeriodicSite: S (3.997, 9.315, 9.369) [0.1968, 0.4586, 0.4613]\n", + " PeriodicSite: S (3.865, 9.468, 18.81) [0.1903, 0.4661, 0.9259]\n", + " PeriodicSite: S (4.122, 19.64, 8.669) [0.2029, 0.9668, 0.4268]\n", + " PeriodicSite: S (4.024, 19.11, 19.1) [0.1981, 0.9408, 0.9405]\n", + " PeriodicSite: S (13.66, 9.092, 8.63) [0.6726, 0.4476, 0.4249]\n", + " PeriodicSite: S (13.89, 8.941, 19.06) [0.6837, 0.4402, 0.9385]\n", + " PeriodicSite: S (14.0, 19.05, 9.512) [0.689, 0.9377, 0.4683]\n", + " PeriodicSite: S (14.22, 18.91, 18.95) [0.7001, 0.9309, 0.9328]\n", + " PeriodicSite: S (8.664, 6.233, 1.1) [0.4265, 0.3069, 0.05415]\n", + " PeriodicSite: S (8.845, 6.57, 10.99) [0.4355, 0.3235, 0.5409]\n", + " PeriodicSite: S (8.596, 16.28, 1.386) [0.4232, 0.8016, 0.06823]\n", + " PeriodicSite: S (8.76, 16.52, 10.97) [0.4313, 0.8135, 0.5402]\n", + " PeriodicSite: S (19.33, 6.219, 1.729) [0.9517, 0.3062, 0.08511]\n", + " PeriodicSite: S (19.16, 6.428, 10.86) [0.9434, 0.3164, 0.5347]\n", + " PeriodicSite: S (18.68, 16.36, 1.254) [0.9196, 0.8054, 0.06174]\n", + " PeriodicSite: S (18.79, 16.2, 11.35) [0.9249, 0.7976, 0.5589]\n", + " PeriodicSite: S (1.609, 6.252, 9.023) [0.07922, 0.3078, 0.4442]\n", + " PeriodicSite: S (1.316, 6.582, 19.64) [0.06477, 0.324, 0.9671]\n", + " PeriodicSite: S (0.7168, 16.21, 8.854) [0.03529, 0.7981, 0.4359]\n", + " PeriodicSite: S (0.6921, 16.58, 19.17) [0.03407, 0.8163, 0.9437]\n", + " PeriodicSite: S (11.06, 6.211, 8.667) [0.5445, 0.3058, 0.4267]\n", + " PeriodicSite: S (11.19, 6.516, 19.25) [0.5507, 0.3208, 0.9476]\n", + " PeriodicSite: S (11.37, 16.23, 8.94) [0.5596, 0.7992, 0.4402]\n", + " PeriodicSite: S (10.87, 16.59, 19.29) [0.5352, 0.8167, 0.9496]\n", + " PeriodicSite: S (6.101, 9.11, 1.08) [0.3004, 0.4485, 0.05317]\n", + " PeriodicSite: S (6.485, 8.83, 11.35) [0.3193, 0.4347, 0.5587]\n", + " PeriodicSite: S (5.915, 18.98, 1.616) [0.2912, 0.9343, 0.07957]\n", + " PeriodicSite: S (6.224, 19.17, 11.14) [0.3064, 0.9439, 0.5486]\n", + " PeriodicSite: S (16.41, 8.683, 1.066) [0.8081, 0.4275, 0.05249]\n", + " PeriodicSite: S (15.95, 8.662, 11.1) [0.7853, 0.4265, 0.5465]\n", + " PeriodicSite: S (16.6, 18.85, 1.035) [0.8174, 0.928, 0.05098]\n", + " PeriodicSite: S (16.57, 19.36, 11.69) [0.8155, 0.9533, 0.5757]\n", + " PeriodicSite: S (7.366, 7.517, 17.77) [0.3626, 0.3701, 0.875]\n", + " PeriodicSite: S (7.606, 17.76, 7.476) [0.3745, 0.8743, 0.3681]\n", + " PeriodicSite: S (17.87, 7.37, 7.503) [0.8799, 0.3628, 0.3694]\n", + " PeriodicSite: S (17.3, 17.76, 7.833) [0.8518, 0.8745, 0.3856]\n", + " PeriodicSite: P (5.032, 20.11, 0.241) [0.2477, 0.99, 0.01187]\n", + " PeriodicSite: P (5.28, 0.2029, 10.02) [0.26, 0.009987, 0.4934]\n", + " PeriodicSite: P (5.031, 10.5, 20.18) [0.2477, 0.5167, 0.9935]\n", + " PeriodicSite: P (5.378, 10.35, 10.39) [0.2648, 0.5094, 0.5113]\n", + " PeriodicSite: P (15.36, 20.05, 20.13) [0.7563, 0.9869, 0.9911]\n", + " PeriodicSite: P (15.24, 20.3, 10.54) [0.7504, 0.9992, 0.5189]\n", + " PeriodicSite: P (15.16, 9.913, 20.28) [0.7466, 0.488, 0.9983]\n", + " PeriodicSite: P (14.82, 9.989, 10.13) [0.7296, 0.4918, 0.4986]\n", + " PeriodicSite: P (4.834, 5.16, 5.011) [0.238, 0.254, 0.2467]\n", + " PeriodicSite: P (5.15, 5.118, 15.23) [0.2536, 0.252, 0.7498]\n", + " PeriodicSite: P (4.863, 15.37, 5.216) [0.2394, 0.7566, 0.2568]\n", + " PeriodicSite: P (5.089, 15.53, 14.89) [0.2505, 0.7644, 0.733]\n", + " PeriodicSite: P (15.15, 5.109, 5.119) [0.7458, 0.2515, 0.252]\n", + " PeriodicSite: P (15.16, 5.2, 15.26) [0.7462, 0.256, 0.7515]\n", + " PeriodicSite: P (15.11, 15.22, 5.118) [0.7437, 0.7495, 0.252]\n", + " PeriodicSite: P (14.95, 14.94, 15.63) [0.7362, 0.7357, 0.7694]\n", + " PeriodicSite: P (20.26, 20.26, 5.418) [0.9974, 0.9974, 0.2668]\n", + " PeriodicSite: P (0.005305, 20.29, 15.42) [0.000256, 0.999, 0.7591]\n", + " PeriodicSite: P (20.23, 10.16, 5.119) [0.996, 0.5, 0.252]\n", + " PeriodicSite: P (0.3421, 10.15, 14.94) [0.01684, 0.4996, 0.7357]\n", + " PeriodicSite: P (10.16, 0.02136, 4.852) [0.5002, 0.001047, 0.2389]\n", + " PeriodicSite: P (9.992, 0.01962, 15.39) [0.4919, 0.0009625, 0.7575]\n", + " PeriodicSite: P (10.37, 10.21, 4.606) [0.5107, 0.5027, 0.2268]\n", + " PeriodicSite: P (9.981, 10.19, 15.34) [0.4914, 0.5016, 0.7553]\n", + " PeriodicSite: P (0.1578, 5.187, 0.258) [0.007768, 0.2554, 0.0127]\n", + " PeriodicSite: P (0.1703, 5.094, 10.01) [0.008386, 0.2508, 0.4928]\n", + " PeriodicSite: P (19.95, 15.2, 20.31) [0.982, 0.7483, 0.9998]\n", + " PeriodicSite: P (19.95, 15.01, 10.09) [0.9821, 0.7389, 0.4969]\n", + " PeriodicSite: P (9.955, 5.121, 20.22) [0.4901, 0.2521, 0.9956]\n", + " PeriodicSite: P (9.909, 5.144, 9.866) [0.4878, 0.2532, 0.4857]\n", + " PeriodicSite: P (9.903, 15.28, 0.1531) [0.4875, 0.7524, 0.00754]\n", + " PeriodicSite: P (9.975, 15.2, 9.994) [0.4911, 0.7484, 0.492],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.684, 4.128, 5.485) [0.0829, 0.2032, 0.27]\n", + " PeriodicSite: Li (1.95, 2.632, 15.63) [0.09598, 0.1296, 0.7697]\n", + " PeriodicSite: Li (2.055, 11.83, 10.17) [0.1012, 0.5824, 0.5005]\n", + " PeriodicSite: Li (1.894, 15.04, 17.52) [0.09326, 0.7404, 0.8626]\n", + " PeriodicSite: Li (14.4, 0.5407, 7.643) [0.7089, 0.02661, 0.3763]\n", + " PeriodicSite: Li (11.85, 3.414, 16.05) [0.5832, 0.1681, 0.7902]\n", + " PeriodicSite: Li (17.24, 11.86, 5.146) [0.849, 0.5838, 0.2533]\n", + " PeriodicSite: Li (15.66, 8.277, 16.57) [0.771, 0.4075, 0.8159]\n", + " PeriodicSite: Li (3.124, 4.772, 8.168) [0.1538, 0.2349, 0.4021]\n", + " PeriodicSite: Li (3.563, 20.31, 17.28) [0.1754, 0.9997, 0.8505]\n", + " PeriodicSite: Li (5.026, 8.265, 6.316) [0.2474, 0.4069, 0.3109]\n", + " PeriodicSite: Li (7.693, 10.59, 13.96) [0.3787, 0.5212, 0.6874]\n", + " PeriodicSite: Li (12.49, 4.073, 5.632) [0.6149, 0.2005, 0.2773]\n", + " PeriodicSite: Li (13.24, 5.6, 19.85) [0.6517, 0.2757, 0.9773]\n", + " PeriodicSite: Li (12.37, 10.09, 12.07) [0.6088, 0.4969, 0.5941]\n", + " PeriodicSite: Li (10.22, 19.09, 18.46) [0.5033, 0.9398, 0.909]\n", + " PeriodicSite: Li (5.201, 1.894, 7.101) [0.2561, 0.09325, 0.3496]\n", + " PeriodicSite: Li (4.663, 2.529, 16.57) [0.2296, 0.1245, 0.8158]\n", + " PeriodicSite: Li (4.719, 10.91, 7.168) [0.2323, 0.5372, 0.3529]\n", + " PeriodicSite: Li (5.327, 12.39, 14.58) [0.2623, 0.61, 0.7177]\n", + " PeriodicSite: Li (12.39, 1.143, 9.686) [0.6098, 0.05628, 0.4769]\n", + " PeriodicSite: Li (11.05, 2.304, 19.3) [0.5438, 0.1134, 0.9501]\n", + " PeriodicSite: Li (13.07, 13.29, 9.807) [0.6434, 0.6544, 0.4828]\n", + " PeriodicSite: Li (11.01, 10.89, 18.16) [0.5419, 0.5361, 0.8939]\n", + " PeriodicSite: Li (20.12, 2.501, 7.618) [0.9903, 0.1231, 0.375]\n", + " PeriodicSite: Li (1.145, 2.394, 19.62) [0.0564, 0.1179, 0.9659]\n", + " PeriodicSite: Li (0.3299, 13.09, 6.952) [0.01624, 0.6445, 0.3423]\n", + " PeriodicSite: Li (3.432, 13.64, 0.2934) [0.169, 0.6713, 0.01445]\n", + " PeriodicSite: Li (12.57, 0.8428, 5.804) [0.6189, 0.04148, 0.2857]\n", + " PeriodicSite: Li (13.29, 20.21, 16.66) [0.6543, 0.9951, 0.8202]\n", + " PeriodicSite: Li (11.29, 10.84, 7.534) [0.556, 0.5335, 0.3709]\n", + " PeriodicSite: Li (13.49, 15.12, 18.35) [0.6641, 0.7446, 0.9034]\n", + " PeriodicSite: Li (7.065, 1.696, 4.318) [0.3478, 0.08349, 0.2126]\n", + " PeriodicSite: Li (1.72, 19.88, 2.26) [0.08467, 0.9787, 0.1113]\n", + " PeriodicSite: Li (4.678, 13.36, 9.021) [0.2303, 0.6577, 0.4441]\n", + " PeriodicSite: Li (20.08, 17.4, 13.25) [0.9888, 0.8568, 0.6521]\n", + " PeriodicSite: Li (15.02, 3.409, 7.975) [0.7392, 0.1678, 0.3926]\n", + " PeriodicSite: Li (14.62, 2.915, 19.5) [0.7196, 0.1435, 0.9603]\n", + " PeriodicSite: Li (16.65, 15.28, 8.336) [0.8199, 0.7521, 0.4104]\n", + " PeriodicSite: Li (13.99, 13.44, 1.389) [0.6887, 0.6615, 0.06838]\n", + " PeriodicSite: Li (4.46, 1.813, 3.722) [0.2196, 0.08926, 0.1832]\n", + " PeriodicSite: Li (3.88, 3.054, 20.08) [0.191, 0.1504, 0.9886]\n", + " PeriodicSite: Li (3.164, 12.24, 5.486) [0.1558, 0.6027, 0.2701]\n", + " PeriodicSite: Li (19.81, 11.78, 2.341) [0.9754, 0.58, 0.1153]\n", + " PeriodicSite: Li (10.1, 2.544, 8.177) [0.4973, 0.1252, 0.4026]\n", + " PeriodicSite: Li (16.92, 19.99, 17.47) [0.8332, 0.9839, 0.8599]\n", + " PeriodicSite: Li (14.82, 11.85, 7.038) [0.7294, 0.5833, 0.3465]\n", + " PeriodicSite: Li (14.95, 11.51, 16.76) [0.7361, 0.5669, 0.8253]\n", + " PeriodicSite: Li (4.523, 11.43, 17.35) [0.2227, 0.5628, 0.8541]\n", + " PeriodicSite: Li (1.56, 10.16, 7.872) [0.07681, 0.5003, 0.3875]\n", + " PeriodicSite: Li (2.46, 17.01, 0.2301) [0.1211, 0.8376, 0.01133]\n", + " PeriodicSite: Li (2.279, 1.648, 9.721) [0.1122, 0.08112, 0.4786]\n", + " PeriodicSite: Li (12.19, 5.406, 2.578) [0.6004, 0.2662, 0.1269]\n", + " PeriodicSite: Li (13.15, 9.89, 15.32) [0.6472, 0.4869, 0.7541]\n", + " PeriodicSite: Li (12.12, 14.61, 7.167) [0.5967, 0.7193, 0.3529]\n", + " PeriodicSite: Li (15.05, 18.54, 13.63) [0.7407, 0.913, 0.6712]\n", + " PeriodicSite: Li (3.387, 5.98, 0.8591) [0.1667, 0.2944, 0.0423]\n", + " PeriodicSite: Li (3.194, 5.174, 11.77) [0.1573, 0.2547, 0.5792]\n", + " PeriodicSite: Li (6.799, 17.14, 20.22) [0.3347, 0.8439, 0.9955]\n", + " PeriodicSite: Li (4.041, 18.52, 14.65) [0.1989, 0.9119, 0.7214]\n", + " PeriodicSite: Li (15.09, 6.872, 1.553) [0.7428, 0.3383, 0.07646]\n", + " PeriodicSite: Li (10.23, 8.08, 12.11) [0.5038, 0.3978, 0.5962]\n", + " PeriodicSite: Li (13.54, 18.13, 4.562) [0.6668, 0.8927, 0.2246]\n", + " PeriodicSite: Li (10.58, 17.53, 14.09) [0.521, 0.863, 0.6938]\n", + " PeriodicSite: Li (1.625, 8.606, 0.6416) [0.08, 0.4237, 0.03159]\n", + " PeriodicSite: Li (3.762, 7.288, 9.952) [0.1852, 0.3588, 0.4899]\n", + " PeriodicSite: Li (4.574, 16.95, 1.913) [0.2252, 0.8343, 0.0942]\n", + " PeriodicSite: Li (2.583, 15.49, 11.4) [0.1272, 0.7624, 0.5611]\n", + " PeriodicSite: Li (12.42, 9.407, 0.8083) [0.6114, 0.4631, 0.0398]\n", + " PeriodicSite: Li (12.01, 6.671, 15.19) [0.5911, 0.3284, 0.7478]\n", + " PeriodicSite: Li (11.15, 16.18, 3.174) [0.549, 0.7966, 0.1563]\n", + " PeriodicSite: Li (14.36, 14.64, 12.38) [0.7069, 0.7207, 0.6094]\n", + " PeriodicSite: Li (0.3736, 7.505, 3.726) [0.01839, 0.3695, 0.1834]\n", + " PeriodicSite: Li (17.41, 5.606, 9.925) [0.857, 0.276, 0.4886]\n", + " PeriodicSite: Li (1.636, 17.05, 5.136) [0.08054, 0.8396, 0.2529]\n", + " PeriodicSite: Li (1.001, 17.76, 10.53) [0.04926, 0.8745, 0.5183]\n", + " PeriodicSite: Li (10.34, 7.463, 2.634) [0.5089, 0.3674, 0.1297]\n", + " PeriodicSite: Li (14.68, 8.267, 13.32) [0.7226, 0.407, 0.6559]\n", + " PeriodicSite: Li (13.55, 17.21, 0.02082) [0.6669, 0.8472, 0.00103]\n", + " PeriodicSite: Li (8.936, 15.57, 17.32) [0.4399, 0.7667, 0.8526]\n", + " PeriodicSite: Li (5.035, 8.721, 2.917) [0.2479, 0.4294, 0.1436]\n", + " PeriodicSite: Li (0.4008, 8.712, 12.07) [0.01973, 0.4289, 0.5941]\n", + " PeriodicSite: Li (0.04303, 17.96, 1.911) [0.002111, 0.8843, 0.09407]\n", + " PeriodicSite: Li (1.936, 19.9, 12.3) [0.09529, 0.9799, 0.6054]\n", + " PeriodicSite: Li (16.45, 10.46, 2.824) [0.8098, 0.5151, 0.139]\n", + " PeriodicSite: Li (12.29, 7.267, 10.63) [0.6051, 0.3578, 0.5232]\n", + " PeriodicSite: Li (12.41, 20.24, 1.509) [0.6111, 0.9964, 0.0743]\n", + " PeriodicSite: Li (13.46, 16.65, 10.5) [0.6625, 0.8195, 0.517]\n", + " PeriodicSite: Li (6.216, 4.741, 2.419) [0.306, 0.2334, 0.1191]\n", + " PeriodicSite: Li (5.262, 8.635, 12.96) [0.259, 0.4251, 0.6381]\n", + " PeriodicSite: Li (4.303, 18.62, 3.86) [0.2118, 0.9169, 0.1901]\n", + " PeriodicSite: Li (2.013, 16.31, 14.65) [0.09909, 0.803, 0.7213]\n", + " PeriodicSite: Li (13.51, 10.9, 4.353) [0.6651, 0.5366, 0.2143]\n", + " PeriodicSite: Li (14.1, 5.514, 12.2) [0.6942, 0.2715, 0.6004]\n", + " PeriodicSite: Li (14.42, 16.3, 2.26) [0.71, 0.8027, 0.1112]\n", + " PeriodicSite: Li (16.24, 1.749, 16.06) [0.7997, 0.08607, 0.7907]\n", + " PeriodicSite: Li (9.919, 3.217, 3.247) [0.4883, 0.1584, 0.1598]\n", + " PeriodicSite: Li (9.196, 3.714, 13.76) [0.4527, 0.1828, 0.6777]\n", + " PeriodicSite: Li (5.219, 12.11, 3.196) [0.2569, 0.5963, 0.1574]\n", + " PeriodicSite: Li (3.326, 9.691, 14.4) [0.1637, 0.4771, 0.7087]\n", + " PeriodicSite: Li (16.98, 1.134, 4.856) [0.8358, 0.05583, 0.2391]\n", + " PeriodicSite: Li (12.93, 3.999, 9.89) [0.6365, 0.1969, 0.4869]\n", + " PeriodicSite: Li (18.21, 12.05, 0.1783) [0.8964, 0.5934, 0.008784]\n", + " PeriodicSite: Li (17.09, 10.08, 12.96) [0.8413, 0.496, 0.6379]\n", + " PeriodicSite: Li (5.98, 18.69, 6.129) [0.2944, 0.9201, 0.3017]\n", + " PeriodicSite: Li (7.153, 1.899, 15.2) [0.3521, 0.09347, 0.7484]\n", + " PeriodicSite: Li (9.359, 12.51, 0.9105) [0.4608, 0.616, 0.04483]\n", + " PeriodicSite: Li (9.044, 14.64, 12.9) [0.4453, 0.7207, 0.6353]\n", + " PeriodicSite: Li (14.82, 19.64, 2.938) [0.7296, 0.9667, 0.1446]\n", + " PeriodicSite: Li (19.96, 2.247, 12.45) [0.9828, 0.1106, 0.613]\n", + " PeriodicSite: Li (18.08, 14.68, 4.133) [0.8899, 0.7227, 0.2035]\n", + " PeriodicSite: Li (17.44, 14.79, 12.45) [0.8587, 0.7279, 0.613]\n", + " PeriodicSite: Li (8.315, 6.118, 5.722) [0.4094, 0.3012, 0.2817]\n", + " PeriodicSite: Li (7.23, 0.2929, 13.01) [0.356, 0.01442, 0.6403]\n", + " PeriodicSite: Li (9.897, 13.33, 3.45) [0.4872, 0.6563, 0.1699]\n", + " PeriodicSite: Li (5.311, 14.04, 11.92) [0.2615, 0.6913, 0.5871]\n", + " PeriodicSite: Li (19.56, 2.596, 1.678) [0.9629, 0.1278, 0.08261]\n", + " PeriodicSite: Li (17.76, 4.907, 12.89) [0.8746, 0.2416, 0.6348]\n", + " PeriodicSite: Li (16.95, 14.61, 1.412) [0.8347, 0.7193, 0.0695]\n", + " PeriodicSite: Li (15.21, 12.03, 13.38) [0.749, 0.5924, 0.6586]\n", + " PeriodicSite: Li (2.955, 0.09331, 5.931) [0.1455, 0.004593, 0.292]\n", + " PeriodicSite: Li (4.633, 1.835, 13.4) [0.2281, 0.09033, 0.6599]\n", + " PeriodicSite: Li (6.344, 13.27, 0.1419) [0.3123, 0.6531, 0.006989]\n", + " PeriodicSite: Li (8.299, 6.938, 15.57) [0.4086, 0.3416, 0.7665]\n", + " PeriodicSite: Li (18.43, 4.626, 3.441) [0.9072, 0.2277, 0.1694]\n", + " PeriodicSite: Li (16.83, 0.6644, 13.21) [0.8284, 0.0327, 0.6505]\n", + " PeriodicSite: Li (15.51, 13.29, 19.25) [0.7634, 0.6542, 0.9476]\n", + " PeriodicSite: Li (19.35, 11.88, 11.22) [0.9524, 0.5848, 0.5524]\n", + " PeriodicSite: Li (6.755, 3.178, 20.11) [0.3325, 0.1565, 0.9902]\n", + " PeriodicSite: Li (5.758, 2.992, 10.63) [0.2835, 0.1473, 0.5235]\n", + " PeriodicSite: Li (8.057, 10.31, 2.097) [0.3967, 0.5077, 0.1033]\n", + " PeriodicSite: Li (8.981, 12.04, 10.42) [0.4421, 0.5927, 0.5129]\n", + " PeriodicSite: Li (15.37, 3.355, 1.88) [0.7566, 0.1652, 0.09257]\n", + " PeriodicSite: Li (15.66, 2.838, 10.79) [0.7712, 0.1397, 0.5312]\n", + " PeriodicSite: Li (1.095, 10.29, 18.56) [0.05389, 0.5064, 0.9136]\n", + " PeriodicSite: Li (0.3654, 13.23, 14.46) [0.01798, 0.6513, 0.7117]\n", + " PeriodicSite: Li (7.873, 0.5446, 1.244) [0.3876, 0.02681, 0.06126]\n", + " PeriodicSite: Li (8.895, 2.324, 11.16) [0.4379, 0.1144, 0.5493]\n", + " PeriodicSite: Li (7.358, 12.72, 5.012) [0.3622, 0.6261, 0.2467]\n", + " PeriodicSite: Li (4.327, 17.39, 11.51) [0.213, 0.8559, 0.5666]\n", + " PeriodicSite: Li (17.3, 3.326, 0.4205) [0.8518, 0.1637, 0.02071]\n", + " PeriodicSite: Li (1.583, 6.959, 14.37) [0.07793, 0.3426, 0.7074]\n", + " PeriodicSite: Li (3.031, 15.05, 8.297) [0.1492, 0.7408, 0.4085]\n", + " PeriodicSite: Li (16.09, 12.75, 10.63) [0.7923, 0.6278, 0.5234]\n", + " PeriodicSite: Li (13.91, 7.866, 4.974) [0.6848, 0.3873, 0.2449]\n", + " PeriodicSite: Li (5.218, 8.16, 16.77) [0.2569, 0.4017, 0.8255]\n", + " PeriodicSite: Li (7.208, 15.95, 9.414) [0.3549, 0.785, 0.4635]\n", + " PeriodicSite: Li (4.816, 14.72, 18.09) [0.2371, 0.7245, 0.8904]\n", + " PeriodicSite: Li (16.64, 9.609, 7.143) [0.8191, 0.4731, 0.3517]\n", + " PeriodicSite: Li (2.476, 4.839, 17.3) [0.1219, 0.2382, 0.8518]\n", + " PeriodicSite: Li (17.08, 18.38, 5.388) [0.841, 0.9049, 0.2653]\n", + " PeriodicSite: Li (19.69, 19.15, 18.27) [0.9695, 0.9426, 0.8993]\n", + " PeriodicSite: Li (7.343, 9.712, 6.039) [0.3615, 0.4782, 0.2973]\n", + " PeriodicSite: Li (8.841, 5.569, 17.71) [0.4352, 0.2742, 0.8721]\n", + " PeriodicSite: Li (8.28, 0.1125, 7.745) [0.4076, 0.005536, 0.3813]\n", + " PeriodicSite: Li (7.329, 18.2, 15.21) [0.3608, 0.8958, 0.7488]\n", + " PeriodicSite: Li (18.61, 9.025, 9.345) [0.916, 0.4443, 0.4601]\n", + " PeriodicSite: Li (18.93, 4.045, 17.11) [0.932, 0.1991, 0.8424]\n", + " PeriodicSite: Li (18.69, 19.54, 8.469) [0.9202, 0.9618, 0.417]\n", + " PeriodicSite: Li (18.44, 14.9, 17.24) [0.9077, 0.7336, 0.8487]\n", + " PeriodicSite: Li (6.645, 5.558, 8.127) [0.3271, 0.2736, 0.4001]\n", + " PeriodicSite: Li (5.63, 5.149, 18.03) [0.2772, 0.2535, 0.8875]\n", + " PeriodicSite: Li (8.88, 18.36, 9.815) [0.4372, 0.9039, 0.4832]\n", + " PeriodicSite: Li (12.4, 13.78, 16.02) [0.6107, 0.6786, 0.7885]\n", + " PeriodicSite: Li (20.07, 7.219, 7.127) [0.9882, 0.3554, 0.3509]\n", + " PeriodicSite: Li (19.45, 7.307, 16.0) [0.9574, 0.3597, 0.7878]\n", + " PeriodicSite: Li (17.07, 17.5, 9.979) [0.8403, 0.8614, 0.4913]\n", + " PeriodicSite: Li (16.82, 16.58, 20.0) [0.8282, 0.8161, 0.9848]\n", + " PeriodicSite: Li (8.43, 8.246, 9.8) [0.415, 0.406, 0.4825]\n", + " PeriodicSite: Li (6.618, 7.038, 19.94) [0.3258, 0.3465, 0.9816]\n", + " PeriodicSite: Li (5.073, 17.4, 8.626) [0.2498, 0.8567, 0.4247]\n", + " PeriodicSite: Li (7.192, 15.33, 1.998) [0.3541, 0.7548, 0.09837]\n", + " PeriodicSite: Li (15.13, 7.237, 8.663) [0.7448, 0.3563, 0.4265]\n", + " PeriodicSite: Li (18.24, 8.755, 19.47) [0.8978, 0.431, 0.9588]\n", + " PeriodicSite: Li (15.59, 18.44, 7.221) [0.7677, 0.9078, 0.3555]\n", + " PeriodicSite: Li (15.83, 17.93, 16.4) [0.7792, 0.8828, 0.8073]\n", + " PeriodicSite: Li (6.853, 4.837, 11.84) [0.3374, 0.2381, 0.5827]\n", + " PeriodicSite: Li (7.192, 10.15, 17.12) [0.3541, 0.4995, 0.8427]\n", + " PeriodicSite: Li (9.014, 18.09, 5.592) [0.4438, 0.8906, 0.2753]\n", + " PeriodicSite: Li (10.29, 18.49, 1.934) [0.5064, 0.9101, 0.09522]\n", + " PeriodicSite: Li (17.17, 8.351, 5.087) [0.8455, 0.4111, 0.2504]\n", + " PeriodicSite: Li (16.49, 5.493, 18.06) [0.8116, 0.2704, 0.889]\n", + " PeriodicSite: Li (19.76, 16.67, 6.915) [0.9726, 0.8206, 0.3405]\n", + " PeriodicSite: Li (18.34, 0.2051, 2.134) [0.9029, 0.01009, 0.1051]\n", + " PeriodicSite: Li (2.539, 10.02, 3.975) [0.125, 0.4931, 0.1957]\n", + " PeriodicSite: Li (9.282, 8.194, 19.43) [0.457, 0.4034, 0.9564]\n", + " PeriodicSite: Li (8.033, 15.6, 6.187) [0.3955, 0.7678, 0.3046]\n", + " PeriodicSite: Li (6.593, 19.91, 17.04) [0.3246, 0.9801, 0.839]\n", + " PeriodicSite: Li (18.15, 5.337, 6.517) [0.8937, 0.2627, 0.3208]\n", + " PeriodicSite: Li (17.43, 12.07, 15.08) [0.8583, 0.5945, 0.7422]\n", + " PeriodicSite: Li (1.823, 15.37, 3.074) [0.08974, 0.7568, 0.1513]\n", + " PeriodicSite: Li (12.9, 20.22, 13.87) [0.6352, 0.9954, 0.683]\n", + " PeriodicSite: Cl (7.499, 12.71, 12.66) [0.3692, 0.6259, 0.6232]\n", + " PeriodicSite: Cl (3.116, 13.14, 17.98) [0.1534, 0.6467, 0.8854]\n", + " PeriodicSite: Cl (12.94, 17.85, 13.01) [0.6372, 0.8787, 0.6405]\n", + " PeriodicSite: Cl (17.82, 7.503, 17.58) [0.8773, 0.3694, 0.8652]\n", + " PeriodicSite: Cl (7.603, 2.765, 2.459) [0.3743, 0.1361, 0.1211]\n", + " PeriodicSite: Cl (7.301, 7.714, 7.226) [0.3594, 0.3798, 0.3557]\n", + " PeriodicSite: Cl (12.67, 12.56, 7.773) [0.6235, 0.6185, 0.3827]\n", + " PeriodicSite: Cl (2.708, 7.889, 2.501) [0.1333, 0.3884, 0.1232]\n", + " PeriodicSite: Cl (2.833, 7.992, 12.65) [0.1395, 0.3934, 0.6227]\n", + " PeriodicSite: Cl (13.22, 12.72, 17.88) [0.651, 0.6263, 0.8801]\n", + " PeriodicSite: Cl (17.7, 17.87, 17.95) [0.8716, 0.8797, 0.8838]\n", + " PeriodicSite: Cl (2.388, 2.573, 7.571) [0.1176, 0.1267, 0.3727]\n", + " PeriodicSite: Cl (12.79, 2.369, 17.91) [0.6298, 0.1166, 0.8816]\n", + " PeriodicSite: Cl (12.92, 7.418, 2.384) [0.636, 0.3652, 0.1174]\n", + " PeriodicSite: Cl (17.62, 2.711, 12.48) [0.8675, 0.1335, 0.6146]\n", + " PeriodicSite: Cl (7.536, 17.78, 17.85) [0.371, 0.8754, 0.8786]\n", + " PeriodicSite: Cl (0.09571, 0.1991, 0.7703) [0.004712, 0.009801, 0.03792]\n", + " PeriodicSite: Cl (0.3014, 0.1602, 10.41) [0.01484, 0.007888, 0.5126]\n", + " PeriodicSite: Cl (20.2, 10.35, 20.29) [0.9947, 0.5096, 0.9991]\n", + " PeriodicSite: Cl (0.4609, 10.04, 10.15) [0.02269, 0.4945, 0.4997]\n", + " PeriodicSite: Cl (10.48, 20.22, 0.07685) [0.5162, 0.9953, 0.003788]\n", + " PeriodicSite: Cl (9.783, 0.4739, 9.427) [0.4816, 0.02333, 0.4641]\n", + " PeriodicSite: Cl (10.08, 10.02, 0.1856) [0.4961, 0.4932, 0.009143]\n", + " PeriodicSite: Cl (9.997, 9.934, 10.47) [0.4921, 0.4891, 0.5155]\n", + " PeriodicSite: Cl (20.22, 5.789, 4.887) [0.9956, 0.285, 0.2406]\n", + " PeriodicSite: Cl (0.4054, 5.023, 15.73) [0.01996, 0.2473, 0.7745]\n", + " PeriodicSite: Cl (20.27, 15.05, 5.393) [0.9977, 0.7408, 0.2655]\n", + " PeriodicSite: Cl (0.1393, 15.32, 15.58) [0.006856, 0.754, 0.7672]\n", + " PeriodicSite: Cl (10.41, 5.205, 4.177) [0.5126, 0.2562, 0.2056]\n", + " PeriodicSite: Cl (10.14, 5.316, 15.74) [0.4991, 0.2617, 0.7747]\n", + " PeriodicSite: Cl (9.753, 15.11, 4.712) [0.4801, 0.7437, 0.232]\n", + " PeriodicSite: Cl (9.898, 15.54, 15.21) [0.4873, 0.765, 0.7488]\n", + " PeriodicSite: S (5.248, 0.3667, 5.216) [0.2584, 0.01805, 0.2568]\n", + " PeriodicSite: S (5.33, 0.2735, 15.4) [0.2624, 0.01346, 0.7581]\n", + " PeriodicSite: S (5.209, 10.28, 4.993) [0.2564, 0.5061, 0.2458]\n", + " PeriodicSite: S (5.48, 10.26, 15.43) [0.2698, 0.5049, 0.7599]\n", + " PeriodicSite: S (15.07, 19.97, 5.34) [0.7421, 0.9829, 0.2629]\n", + " PeriodicSite: S (15.27, 20.08, 15.35) [0.7518, 0.9884, 0.7555]\n", + " PeriodicSite: S (15.34, 9.758, 4.922) [0.7551, 0.4804, 0.2423]\n", + " PeriodicSite: S (15.26, 10.28, 15.01) [0.7515, 0.5063, 0.739]\n", + " PeriodicSite: S (5.204, 4.888, 0.2117) [0.2562, 0.2407, 0.01043]\n", + " PeriodicSite: S (4.815, 5.135, 10.06) [0.237, 0.2528, 0.4954]\n", + " PeriodicSite: S (5.309, 15.34, 0.02295) [0.2614, 0.7552, 0.001133]\n", + " PeriodicSite: S (4.638, 15.53, 10.16) [0.2283, 0.7645, 0.5]\n", + " PeriodicSite: S (15.44, 4.874, 0.1679) [0.7603, 0.2399, 0.008272]\n", + " PeriodicSite: S (15.2, 5.124, 10.2) [0.7485, 0.2522, 0.5022]\n", + " PeriodicSite: S (14.84, 15.16, 0.1755) [0.7307, 0.7463, 0.008646]\n", + " PeriodicSite: S (15.15, 14.97, 10.22) [0.7461, 0.7368, 0.5033]\n", + " PeriodicSite: S (8.415, 4.075, 9.018) [0.4143, 0.2006, 0.444]\n", + " PeriodicSite: S (8.755, 3.807, 19.0) [0.431, 0.1874, 0.9356]\n", + " PeriodicSite: S (8.811, 13.94, 8.757) [0.4338, 0.6861, 0.4311]\n", + " PeriodicSite: S (9.093, 14.22, 19.13) [0.4476, 0.7001, 0.942]\n", + " PeriodicSite: S (19.05, 4.603, 8.544) [0.938, 0.2266, 0.4206]\n", + " PeriodicSite: S (19.38, 3.992, 19.36) [0.9543, 0.1965, 0.9531]\n", + " PeriodicSite: S (18.96, 13.53, 9.191) [0.9336, 0.6662, 0.4525]\n", + " PeriodicSite: S (18.29, 14.1, 19.62) [0.9006, 0.6941, 0.9657]\n", + " PeriodicSite: S (3.577, 1.248, 1.53) [0.1761, 0.06142, 0.07533]\n", + " PeriodicSite: S (4.004, 1.452, 11.28) [0.1971, 0.07147, 0.5553]\n", + " PeriodicSite: S (4.042, 11.26, 1.209) [0.199, 0.5544, 0.05953]\n", + " PeriodicSite: S (4.068, 11.64, 11.23) [0.2003, 0.5733, 0.5527]\n", + " PeriodicSite: S (14.16, 1.1, 1.113) [0.6972, 0.05415, 0.05478]\n", + " PeriodicSite: S (13.88, 1.31, 11.61) [0.6831, 0.06449, 0.5716]\n", + " PeriodicSite: S (14.32, 11.16, 1.328) [0.7051, 0.5493, 0.0654]\n", + " PeriodicSite: S (14.31, 11.36, 11.42) [0.7045, 0.5595, 0.5622]\n", + " PeriodicSite: S (6.457, 1.228, 9.054) [0.3179, 0.06045, 0.4457]\n", + " PeriodicSite: S (6.104, 0.8842, 19.6) [0.3005, 0.04353, 0.9651]\n", + " PeriodicSite: S (6.375, 11.62, 8.697) [0.3139, 0.5719, 0.4281]\n", + " PeriodicSite: S (6.343, 11.41, 19.09) [0.3123, 0.5617, 0.9399]\n", + " PeriodicSite: S (16.26, 1.217, 9.147) [0.8006, 0.05988, 0.4503]\n", + " PeriodicSite: S (16.48, 1.366, 19.02) [0.8112, 0.06726, 0.9366]\n", + " PeriodicSite: S (16.62, 11.2, 8.778) [0.8181, 0.5514, 0.4322]\n", + " PeriodicSite: S (16.49, 10.97, 19.23) [0.8119, 0.5402, 0.9469]\n", + " PeriodicSite: S (1.433, 3.755, 1.407) [0.07054, 0.1849, 0.06925]\n", + " PeriodicSite: S (1.205, 3.761, 10.84) [0.05934, 0.1852, 0.5338]\n", + " PeriodicSite: S (0.9507, 13.87, 1.226) [0.0468, 0.6829, 0.06034]\n", + " PeriodicSite: S (0.8634, 13.7, 11.75) [0.0425, 0.6743, 0.5786]\n", + " PeriodicSite: S (11.27, 3.858, 0.8563) [0.555, 0.1899, 0.04216]\n", + " PeriodicSite: S (11.03, 3.768, 11.15) [0.5428, 0.1855, 0.5491]\n", + " PeriodicSite: S (11.26, 14.22, 1.218) [0.5543, 0.7001, 0.05997]\n", + " PeriodicSite: S (10.82, 13.57, 11.28) [0.5326, 0.6682, 0.5553]\n", + " PeriodicSite: S (2.703, 2.597, 17.86) [0.1331, 0.1279, 0.8794]\n", + " PeriodicSite: S (2.827, 12.67, 7.786) [0.1392, 0.6236, 0.3833]\n", + " PeriodicSite: S (12.83, 2.459, 7.7) [0.6315, 0.121, 0.3791]\n", + " PeriodicSite: S (8.857, 8.896, 4.039) [0.436, 0.438, 0.1989]\n", + " PeriodicSite: S (9.222, 8.714, 14.31) [0.454, 0.429, 0.7047]\n", + " PeriodicSite: S (8.643, 19.37, 3.521) [0.4255, 0.9537, 0.1733]\n", + " PeriodicSite: S (8.867, 19.41, 14.09) [0.4365, 0.9558, 0.6935]\n", + " PeriodicSite: S (19.25, 9.309, 3.705) [0.9478, 0.4583, 0.1824]\n", + " PeriodicSite: S (19.05, 8.625, 13.95) [0.938, 0.4246, 0.6869]\n", + " PeriodicSite: S (19.2, 18.96, 3.976) [0.9453, 0.9334, 0.1958]\n", + " PeriodicSite: S (19.07, 19.23, 14.06) [0.9389, 0.9467, 0.6924]\n", + " PeriodicSite: S (3.695, 6.153, 6.203) [0.1819, 0.3029, 0.3054]\n", + " PeriodicSite: S (3.777, 6.461, 16.09) [0.186, 0.3181, 0.7922]\n", + " PeriodicSite: S (3.565, 16.59, 6.428) [0.1755, 0.8169, 0.3164]\n", + " PeriodicSite: S (3.711, 16.59, 16.53) [0.1827, 0.8167, 0.8139]\n", + " PeriodicSite: S (14.13, 5.769, 6.45) [0.6956, 0.284, 0.3175]\n", + " PeriodicSite: S (14.33, 6.441, 16.75) [0.7054, 0.3171, 0.8248]\n", + " PeriodicSite: S (13.98, 16.54, 6.445) [0.6885, 0.8145, 0.3173]\n", + " PeriodicSite: S (13.84, 16.3, 16.37) [0.6815, 0.8025, 0.8057]\n", + " PeriodicSite: S (6.357, 6.417, 4.159) [0.313, 0.3159, 0.2047]\n", + " PeriodicSite: S (6.115, 6.331, 13.68) [0.3011, 0.3117, 0.6735]\n", + " PeriodicSite: S (6.14, 16.69, 4.5) [0.3023, 0.8217, 0.2215]\n", + " PeriodicSite: S (5.983, 16.91, 14.1) [0.2946, 0.8325, 0.6943]\n", + " PeriodicSite: S (16.4, 6.353, 3.94) [0.8075, 0.3128, 0.194]\n", + " PeriodicSite: S (16.27, 6.267, 14.18) [0.8012, 0.3085, 0.6979]\n", + " PeriodicSite: S (16.14, 16.42, 3.996) [0.7946, 0.8082, 0.1967]\n", + " PeriodicSite: S (16.22, 16.21, 14.14) [0.7985, 0.7979, 0.696]\n", + " PeriodicSite: S (1.227, 8.889, 5.833) [0.06042, 0.4376, 0.2871]\n", + " PeriodicSite: S (1.149, 8.715, 16.19) [0.05658, 0.4291, 0.7971]\n", + " PeriodicSite: S (0.9216, 18.9, 6.562) [0.04536, 0.9304, 0.323]\n", + " PeriodicSite: S (1.288, 19.31, 16.54) [0.06341, 0.9507, 0.8144]\n", + " PeriodicSite: S (11.81, 9.354, 5.902) [0.5813, 0.4605, 0.2906]\n", + " PeriodicSite: S (11.67, 8.814, 16.72) [0.5743, 0.4339, 0.8232]\n", + " PeriodicSite: S (11.27, 19.27, 5.667) [0.5546, 0.9486, 0.279]\n", + " PeriodicSite: S (11.3, 19.13, 16.29) [0.5563, 0.9417, 0.8019]\n", + " PeriodicSite: S (2.314, 17.45, 2.671) [0.1139, 0.8589, 0.1315]\n", + " PeriodicSite: S (2.116, 17.61, 12.54) [0.1042, 0.8667, 0.6175]\n", + " PeriodicSite: S (12.69, 7.464, 12.76) [0.6249, 0.3675, 0.628]\n", + " PeriodicSite: S (12.69, 17.82, 2.356) [0.6248, 0.8775, 0.116]\n", + " PeriodicSite: S (4.046, 4.078, 3.625) [0.1992, 0.2007, 0.1785]\n", + " PeriodicSite: S (3.619, 4.101, 13.97) [0.1782, 0.2019, 0.6877]\n", + " PeriodicSite: S (3.741, 14.21, 4.064) [0.1841, 0.6995, 0.2001]\n", + " PeriodicSite: S (3.816, 14.31, 14.15) [0.1879, 0.7044, 0.6967]\n", + " PeriodicSite: S (13.98, 3.981, 3.651) [0.6885, 0.196, 0.1798]\n", + " PeriodicSite: S (13.74, 4.175, 14.24) [0.6762, 0.2055, 0.7009]\n", + " PeriodicSite: S (13.45, 14.2, 4.193) [0.6623, 0.6989, 0.2064]\n", + " PeriodicSite: S (13.88, 13.62, 14.34) [0.6832, 0.6704, 0.7058]\n", + " PeriodicSite: S (9.223, 1.404, 5.862) [0.4541, 0.06912, 0.2886]\n", + " PeriodicSite: S (9.012, 1.156, 16.8) [0.4437, 0.05692, 0.827]\n", + " PeriodicSite: S (9.253, 11.54, 6.016) [0.4556, 0.5679, 0.2962]\n", + " PeriodicSite: S (9.337, 11.42, 16.39) [0.4597, 0.562, 0.8071]\n", + " PeriodicSite: S (18.87, 0.8396, 6.684) [0.9291, 0.04133, 0.3291]\n", + " PeriodicSite: S (18.69, 0.9687, 16.69) [0.9203, 0.04768, 0.8214]\n", + " PeriodicSite: S (19.11, 11.16, 6.548) [0.9409, 0.5493, 0.3223]\n", + " PeriodicSite: S (19.39, 11.31, 16.02) [0.9547, 0.5566, 0.7885]\n", + " PeriodicSite: S (1.193, 1.177, 4.483) [0.05871, 0.05794, 0.2207]\n", + " PeriodicSite: S (0.845, 1.232, 14.16) [0.0416, 0.06065, 0.6969]\n", + " PeriodicSite: S (1.072, 11.82, 4.313) [0.05278, 0.5821, 0.2123]\n", + " PeriodicSite: S (1.498, 11.03, 13.94) [0.07373, 0.5432, 0.6862]\n", + " PeriodicSite: S (11.36, 1.251, 3.224) [0.5594, 0.06156, 0.1587]\n", + " PeriodicSite: S (11.09, 1.544, 14.19) [0.5461, 0.076, 0.6985]\n", + " PeriodicSite: S (11.07, 11.27, 3.218) [0.5448, 0.555, 0.1584]\n", + " PeriodicSite: S (11.33, 11.21, 13.97) [0.5579, 0.5519, 0.6879]\n", + " PeriodicSite: S (6.332, 3.839, 6.147) [0.3117, 0.189, 0.3026]\n", + " PeriodicSite: S (6.18, 4.044, 16.16) [0.3042, 0.1991, 0.7955]\n", + " PeriodicSite: S (5.713, 13.96, 6.545) [0.2812, 0.6871, 0.3222]\n", + " PeriodicSite: S (6.302, 14.31, 16.19) [0.3102, 0.7044, 0.7972]\n", + " PeriodicSite: S (16.58, 3.538, 5.853) [0.8162, 0.1742, 0.2882]\n", + " PeriodicSite: S (16.43, 3.909, 16.31) [0.8089, 0.1924, 0.8031]\n", + " PeriodicSite: S (16.31, 13.88, 6.273) [0.8027, 0.6835, 0.3088]\n", + " PeriodicSite: S (16.33, 13.94, 16.49) [0.8042, 0.6863, 0.8119]\n", + " PeriodicSite: S (7.306, 2.697, 12.8) [0.3597, 0.1328, 0.6303]\n", + " PeriodicSite: S (7.552, 12.9, 2.547) [0.3718, 0.635, 0.1254]\n", + " PeriodicSite: S (17.52, 2.459, 2.602) [0.8626, 0.1211, 0.1281]\n", + " PeriodicSite: S (17.64, 12.73, 2.775) [0.8683, 0.6266, 0.1366]\n", + " PeriodicSite: S (17.48, 12.51, 12.8) [0.8605, 0.6158, 0.6302]\n", + " PeriodicSite: S (4.004, 9.279, 8.637) [0.1971, 0.4568, 0.4252]\n", + " PeriodicSite: S (3.687, 9.333, 18.93) [0.1815, 0.4595, 0.9318]\n", + " PeriodicSite: S (3.5, 19.62, 8.868) [0.1723, 0.9658, 0.4366]\n", + " PeriodicSite: S (3.471, 19.11, 19.55) [0.1709, 0.9408, 0.9623]\n", + " PeriodicSite: S (13.7, 9.377, 8.809) [0.6747, 0.4616, 0.4337]\n", + " PeriodicSite: S (13.99, 8.838, 19.28) [0.6888, 0.4351, 0.9493]\n", + " PeriodicSite: S (14.0, 19.12, 9.304) [0.6895, 0.9415, 0.4581]\n", + " PeriodicSite: S (14.31, 19.17, 18.85) [0.7046, 0.9438, 0.9282]\n", + " PeriodicSite: S (8.751, 6.256, 1.18) [0.4308, 0.308, 0.05809]\n", + " PeriodicSite: S (8.843, 6.426, 11.19) [0.4354, 0.3163, 0.5509]\n", + " PeriodicSite: S (9.061, 16.69, 1.042) [0.4461, 0.8215, 0.05128]\n", + " PeriodicSite: S (8.872, 16.29, 11.0) [0.4368, 0.8022, 0.5415]\n", + " PeriodicSite: S (19.29, 6.391, 1.424) [0.9497, 0.3146, 0.07013]\n", + " PeriodicSite: S (19.71, 6.456, 11.35) [0.9706, 0.3178, 0.5586]\n", + " PeriodicSite: S (18.89, 16.37, 1.411) [0.9301, 0.8059, 0.06946]\n", + " PeriodicSite: S (19.06, 16.31, 11.33) [0.9382, 0.8032, 0.5576]\n", + " PeriodicSite: S (1.595, 6.342, 8.702) [0.07854, 0.3122, 0.4284]\n", + " PeriodicSite: S (1.361, 6.432, 19.52) [0.06703, 0.3167, 0.9612]\n", + " PeriodicSite: S (1.091, 16.0, 9.081) [0.05369, 0.7878, 0.447]\n", + " PeriodicSite: S (0.5753, 16.19, 19.09) [0.02832, 0.7972, 0.9396]\n", + " PeriodicSite: S (11.09, 6.149, 8.792) [0.546, 0.3027, 0.4328]\n", + " PeriodicSite: S (10.88, 6.249, 19.05) [0.5359, 0.3076, 0.9379]\n", + " PeriodicSite: S (11.58, 16.25, 8.939) [0.5703, 0.8002, 0.4401]\n", + " PeriodicSite: S (11.49, 16.37, 19.13) [0.5657, 0.8058, 0.9419]\n", + " PeriodicSite: S (6.317, 8.907, 0.8812) [0.311, 0.4385, 0.04338]\n", + " PeriodicSite: S (6.364, 9.324, 11.16) [0.3133, 0.4591, 0.5493]\n", + " PeriodicSite: S (5.828, 18.96, 1.735) [0.2869, 0.9337, 0.08541]\n", + " PeriodicSite: S (6.092, 18.98, 11.22) [0.2999, 0.9345, 0.5523]\n", + " PeriodicSite: S (16.63, 8.567, 1.068) [0.8187, 0.4217, 0.05259]\n", + " PeriodicSite: S (16.06, 8.646, 11.07) [0.7908, 0.4256, 0.5449]\n", + " PeriodicSite: S (16.57, 19.02, 0.995) [0.8159, 0.9364, 0.04899]\n", + " PeriodicSite: S (16.41, 19.26, 11.74) [0.8079, 0.9484, 0.578]\n", + " PeriodicSite: S (7.398, 7.543, 17.66) [0.3642, 0.3714, 0.8696]\n", + " PeriodicSite: S (7.691, 17.7, 7.541) [0.3786, 0.8716, 0.3713]\n", + " PeriodicSite: S (17.79, 7.673, 7.519) [0.8758, 0.3778, 0.3702]\n", + " PeriodicSite: S (17.71, 17.5, 7.767) [0.8719, 0.8614, 0.3824]\n", + " PeriodicSite: P (4.632, 20.27, 0.3933) [0.228, 0.9978, 0.01936]\n", + " PeriodicSite: P (5.018, 0.09612, 10.07) [0.247, 0.004731, 0.4958]\n", + " PeriodicSite: P (5.091, 10.16, 20.19) [0.2506, 0.5001, 0.9938]\n", + " PeriodicSite: P (5.202, 10.46, 9.898) [0.2561, 0.5149, 0.4873]\n", + " PeriodicSite: P (15.42, 0.03135, 20.24) [0.759, 0.001538, 0.9965]\n", + " PeriodicSite: P (15.22, 0.08434, 10.49) [0.7491, 0.004146, 0.5164]\n", + " PeriodicSite: P (15.31, 9.815, 0.06449) [0.7536, 0.4832, 0.00318]\n", + " PeriodicSite: P (15.23, 10.15, 9.95) [0.7499, 0.4998, 0.4898]\n", + " PeriodicSite: P (5.089, 5.051, 5.028) [0.2505, 0.2487, 0.2475]\n", + " PeriodicSite: P (4.947, 5.334, 14.93) [0.2436, 0.2626, 0.7351]\n", + " PeriodicSite: P (4.833, 15.28, 5.322) [0.2379, 0.7522, 0.262]\n", + " PeriodicSite: P (4.99, 15.58, 15.26) [0.2457, 0.7669, 0.7515]\n", + " PeriodicSite: P (15.3, 4.959, 5.01) [0.7533, 0.2441, 0.2467]\n", + " PeriodicSite: P (15.06, 5.162, 15.33) [0.7414, 0.2541, 0.7548]\n", + " PeriodicSite: P (14.92, 15.22, 5.223) [0.7345, 0.7495, 0.2572]\n", + " PeriodicSite: P (15.15, 14.97, 15.32) [0.746, 0.7372, 0.7543]\n", + " PeriodicSite: P (20.11, 20.21, 5.318) [0.9899, 0.9948, 0.2618]\n", + " PeriodicSite: P (20.07, 20.3, 15.42) [0.9879, 0.9992, 0.7593]\n", + " PeriodicSite: P (20.19, 10.38, 5.103) [0.9938, 0.511, 0.2512]\n", + " PeriodicSite: P (0.02567, 9.942, 14.91) [0.001263, 0.4895, 0.734]\n", + " PeriodicSite: P (10.2, 0.1915, 4.54) [0.5023, 0.009424, 0.2235]\n", + " PeriodicSite: P (10.17, 0.1967, 15.36) [0.5008, 0.009682, 0.7563]\n", + " PeriodicSite: P (10.27, 10.25, 4.856) [0.5058, 0.5045, 0.2391]\n", + " PeriodicSite: P (10.43, 10.09, 15.35) [0.5133, 0.4969, 0.7556]\n", + " PeriodicSite: P (0.2204, 5.184, 0.3459) [0.01085, 0.2552, 0.01703]\n", + " PeriodicSite: P (0.2978, 5.292, 9.837) [0.01466, 0.2605, 0.4843]\n", + " PeriodicSite: P (19.89, 15.07, 0.1988) [0.9794, 0.7419, 0.009793]\n", + " PeriodicSite: P (20.12, 14.84, 10.41) [0.9905, 0.7304, 0.5127]\n", + " PeriodicSite: P (9.839, 5.044, 20.29) [0.4844, 0.2483, 0.9991]\n", + " PeriodicSite: P (9.819, 5.155, 10.06) [0.4834, 0.2538, 0.4952]\n", + " PeriodicSite: P (10.25, 15.4, 20.31) [0.5047, 0.7582, 0.9997]\n", + " PeriodicSite: P (10.14, 15.08, 9.88) [0.4993, 0.7425, 0.4864],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.563, 5.917, 6.316) [0.07696, 0.2913, 0.311]\n", + " PeriodicSite: Li (1.557, 3.116, 15.53) [0.07666, 0.1534, 0.7646]\n", + " PeriodicSite: Li (1.547, 12.35, 9.653) [0.07618, 0.608, 0.4752]\n", + " PeriodicSite: Li (1.66, 14.82, 17.04) [0.08171, 0.7294, 0.839]\n", + " PeriodicSite: Li (15.05, 0.8779, 7.235) [0.7409, 0.04322, 0.3562]\n", + " PeriodicSite: Li (11.77, 3.41, 15.9) [0.5796, 0.1679, 0.7828]\n", + " PeriodicSite: Li (17.28, 12.18, 4.933) [0.8508, 0.5995, 0.2429]\n", + " PeriodicSite: Li (15.76, 8.083, 16.01) [0.7759, 0.3979, 0.7882]\n", + " PeriodicSite: Li (3.745, 4.592, 8.231) [0.1843, 0.2261, 0.4052]\n", + " PeriodicSite: Li (2.604, 0.1435, 17.34) [0.1282, 0.007066, 0.8534]\n", + " PeriodicSite: Li (5.045, 8.278, 6.499) [0.2484, 0.4075, 0.3199]\n", + " PeriodicSite: Li (7.989, 10.92, 14.24) [0.3933, 0.5375, 0.701]\n", + " PeriodicSite: Li (12.12, 4.581, 6.93) [0.5965, 0.2255, 0.3412]\n", + " PeriodicSite: Li (13.09, 5.474, 19.62) [0.6443, 0.2695, 0.966]\n", + " PeriodicSite: Li (11.8, 9.88, 11.58) [0.5807, 0.4864, 0.5703]\n", + " PeriodicSite: Li (9.787, 18.84, 18.21) [0.4818, 0.9274, 0.8967]\n", + " PeriodicSite: Li (4.853, 1.794, 6.742) [0.2389, 0.0883, 0.3319]\n", + " PeriodicSite: Li (4.863, 1.961, 16.93) [0.2394, 0.09653, 0.8337]\n", + " PeriodicSite: Li (5.025, 11.05, 6.991) [0.2474, 0.5441, 0.3442]\n", + " PeriodicSite: Li (5.764, 12.51, 14.53) [0.2838, 0.6157, 0.7151]\n", + " PeriodicSite: Li (12.45, 1.119, 9.318) [0.6131, 0.0551, 0.4587]\n", + " PeriodicSite: Li (10.61, 2.001, 19.1) [0.5225, 0.09849, 0.9403]\n", + " PeriodicSite: Li (13.83, 14.94, 8.55) [0.6808, 0.7353, 0.4209]\n", + " PeriodicSite: Li (11.34, 10.37, 18.2) [0.5581, 0.5103, 0.8959]\n", + " PeriodicSite: Li (19.47, 2.201, 7.85) [0.9585, 0.1084, 0.3865]\n", + " PeriodicSite: Li (0.601, 1.496, 19.34) [0.0296, 0.07364, 0.9519]\n", + " PeriodicSite: Li (0.3273, 13.12, 6.21) [0.01611, 0.6461, 0.3057]\n", + " PeriodicSite: Li (3.349, 13.59, 0.009686) [0.1649, 0.6692, 0.0004789]\n", + " PeriodicSite: Li (13.06, 1.173, 5.203) [0.6428, 0.05772, 0.2561]\n", + " PeriodicSite: Li (13.39, 20.18, 16.99) [0.659, 0.9935, 0.8366]\n", + " PeriodicSite: Li (11.9, 10.88, 8.682) [0.5859, 0.5356, 0.4274]\n", + " PeriodicSite: Li (13.67, 15.29, 18.02) [0.6731, 0.7526, 0.887]\n", + " PeriodicSite: Li (7.157, 0.4107, 4.482) [0.3523, 0.02022, 0.2206]\n", + " PeriodicSite: Li (1.894, 20.01, 2.561) [0.09325, 0.9853, 0.1261]\n", + " PeriodicSite: Li (4.677, 13.1, 8.852) [0.2302, 0.6447, 0.4358]\n", + " PeriodicSite: Li (0.02344, 17.47, 13.96) [0.00115, 0.8599, 0.6871]\n", + " PeriodicSite: Li (14.94, 3.852, 8.031) [0.7353, 0.1897, 0.3954]\n", + " PeriodicSite: Li (14.88, 3.188, 18.75) [0.7327, 0.1569, 0.9229]\n", + " PeriodicSite: Li (16.6, 15.28, 8.152) [0.8172, 0.7524, 0.4013]\n", + " PeriodicSite: Li (13.88, 13.67, 1.249) [0.6835, 0.6729, 0.06149]\n", + " PeriodicSite: Li (4.261, 1.863, 3.769) [0.2098, 0.09174, 0.1855]\n", + " PeriodicSite: Li (3.512, 3.06, 19.83) [0.1729, 0.1507, 0.9762]\n", + " PeriodicSite: Li (3.267, 12.51, 5.565) [0.1608, 0.616, 0.274]\n", + " PeriodicSite: Li (20.02, 12.36, 2.68) [0.9854, 0.6084, 0.1319]\n", + " PeriodicSite: Li (10.13, 2.083, 7.54) [0.4989, 0.1025, 0.3712]\n", + " PeriodicSite: Li (17.2, 20.07, 17.01) [0.8468, 0.9882, 0.8376]\n", + " PeriodicSite: Li (14.85, 11.84, 7.005) [0.7311, 0.5829, 0.3448]\n", + " PeriodicSite: Li (14.39, 11.15, 16.59) [0.7084, 0.5487, 0.8167]\n", + " PeriodicSite: Li (4.701, 11.83, 17.12) [0.2314, 0.5824, 0.8428]\n", + " PeriodicSite: Li (2.032, 10.38, 7.892) [0.1, 0.5111, 0.3886]\n", + " PeriodicSite: Li (2.839, 17.05, 0.6065) [0.1398, 0.8395, 0.02986]\n", + " PeriodicSite: Li (2.399, 1.458, 9.39) [0.1181, 0.07178, 0.4623]\n", + " PeriodicSite: Li (12.85, 5.325, 2.966) [0.6325, 0.2621, 0.146]\n", + " PeriodicSite: Li (13.36, 9.551, 14.58) [0.6578, 0.4702, 0.7178]\n", + " PeriodicSite: Li (11.21, 14.29, 6.744) [0.5521, 0.7036, 0.332]\n", + " PeriodicSite: Li (14.87, 18.14, 13.49) [0.7319, 0.893, 0.6642]\n", + " PeriodicSite: Li (3.266, 5.354, 1.058) [0.1608, 0.2636, 0.05209]\n", + " PeriodicSite: Li (3.009, 4.931, 11.61) [0.1481, 0.2427, 0.5715]\n", + " PeriodicSite: Li (5.961, 17.43, 19.78) [0.2935, 0.858, 0.9739]\n", + " PeriodicSite: Li (3.567, 18.9, 14.67) [0.1756, 0.9302, 0.7222]\n", + " PeriodicSite: Li (15.82, 6.794, 1.363) [0.779, 0.3345, 0.06711]\n", + " PeriodicSite: Li (10.85, 7.648, 12.09) [0.5344, 0.3765, 0.5953]\n", + " PeriodicSite: Li (13.24, 18.16, 4.831) [0.6518, 0.8941, 0.2379]\n", + " PeriodicSite: Li (10.97, 17.55, 14.2) [0.5399, 0.864, 0.6993]\n", + " PeriodicSite: Li (1.863, 8.676, 0.3114) [0.09172, 0.4271, 0.01533]\n", + " PeriodicSite: Li (3.854, 6.836, 9.348) [0.1897, 0.3366, 0.4602]\n", + " PeriodicSite: Li (4.671, 15.88, 2.458) [0.2299, 0.782, 0.121]\n", + " PeriodicSite: Li (2.913, 15.75, 11.07) [0.1434, 0.7754, 0.5451]\n", + " PeriodicSite: Li (12.3, 9.655, 1.138) [0.6055, 0.4753, 0.05605]\n", + " PeriodicSite: Li (12.02, 6.765, 15.3) [0.5916, 0.333, 0.7532]\n", + " PeriodicSite: Li (11.11, 16.43, 2.876) [0.5468, 0.809, 0.1416]\n", + " PeriodicSite: Li (13.91, 15.67, 12.45) [0.685, 0.7715, 0.6129]\n", + " PeriodicSite: Li (20.3, 7.157, 3.16) [0.9995, 0.3523, 0.1556]\n", + " PeriodicSite: Li (17.48, 6.547, 9.79) [0.8606, 0.3223, 0.482]\n", + " PeriodicSite: Li (1.925, 17.54, 5.393) [0.09476, 0.8637, 0.2655]\n", + " PeriodicSite: Li (1.074, 18.06, 10.98) [0.05286, 0.8893, 0.5407]\n", + " PeriodicSite: Li (10.28, 6.957, 3.034) [0.5059, 0.3425, 0.1494]\n", + " PeriodicSite: Li (15.23, 8.898, 12.84) [0.7498, 0.4381, 0.6321]\n", + " PeriodicSite: Li (13.44, 17.14, 0.008934) [0.6618, 0.8436, 0.0004449]\n", + " PeriodicSite: Li (8.257, 15.4, 16.95) [0.4065, 0.7579, 0.8344]\n", + " PeriodicSite: Li (4.732, 8.74, 3.063) [0.233, 0.4303, 0.1508]\n", + " PeriodicSite: Li (0.7476, 8.736, 12.19) [0.0368, 0.4301, 0.6001]\n", + " PeriodicSite: Li (0.209, 18.06, 2.158) [0.01028, 0.8892, 0.1063]\n", + " PeriodicSite: Li (1.962, 20.05, 12.74) [0.09659, 0.987, 0.6273]\n", + " PeriodicSite: Li (16.49, 10.54, 2.776) [0.8117, 0.5187, 0.1367]\n", + " PeriodicSite: Li (13.05, 6.668, 10.55) [0.6423, 0.3283, 0.5192]\n", + " PeriodicSite: Li (12.3, 20.09, 0.9099) [0.6054, 0.9889, 0.0448]\n", + " PeriodicSite: Li (13.77, 17.25, 10.4) [0.6777, 0.8495, 0.5118]\n", + " PeriodicSite: Li (5.827, 4.918, 2.192) [0.2869, 0.2421, 0.1079]\n", + " PeriodicSite: Li (5.067, 8.913, 13.24) [0.2495, 0.4388, 0.6519]\n", + " PeriodicSite: Li (4.559, 18.92, 3.489) [0.2244, 0.9315, 0.1718]\n", + " PeriodicSite: Li (2.216, 16.0, 14.38) [0.1091, 0.7877, 0.7077]\n", + " PeriodicSite: Li (13.37, 10.27, 4.138) [0.658, 0.5055, 0.2037]\n", + " PeriodicSite: Li (14.6, 5.915, 12.42) [0.7186, 0.2912, 0.6113]\n", + " PeriodicSite: Li (14.46, 16.6, 2.382) [0.712, 0.8174, 0.1173]\n", + " PeriodicSite: Li (15.64, 1.915, 15.43) [0.7698, 0.09425, 0.7594]\n", + " PeriodicSite: Li (9.687, 3.675, 2.528) [0.4769, 0.1809, 0.1244]\n", + " PeriodicSite: Li (9.407, 3.294, 13.15) [0.4631, 0.1622, 0.6473]\n", + " PeriodicSite: Li (5.337, 11.99, 2.854) [0.2627, 0.5903, 0.1405]\n", + " PeriodicSite: Li (2.762, 9.919, 14.94) [0.136, 0.4883, 0.7357]\n", + " PeriodicSite: Li (16.7, 1.326, 4.514) [0.822, 0.06526, 0.2222]\n", + " PeriodicSite: Li (12.64, 3.784, 9.623) [0.6223, 0.1863, 0.4738]\n", + " PeriodicSite: Li (18.33, 11.87, 0.308) [0.9025, 0.5845, 0.01517]\n", + " PeriodicSite: Li (17.53, 10.26, 12.94) [0.8631, 0.5052, 0.637]\n", + " PeriodicSite: Li (5.732, 18.15, 6.12) [0.2822, 0.8934, 0.3013]\n", + " PeriodicSite: Li (7.327, 1.781, 14.71) [0.3607, 0.08766, 0.7242]\n", + " PeriodicSite: Li (9.472, 12.46, 0.4277) [0.4663, 0.6132, 0.02106]\n", + " PeriodicSite: Li (9.697, 14.41, 13.14) [0.4774, 0.7092, 0.6467]\n", + " PeriodicSite: Li (14.86, 19.26, 3.033) [0.7313, 0.9483, 0.1493]\n", + " PeriodicSite: Li (19.73, 1.837, 11.84) [0.9712, 0.09042, 0.583]\n", + " PeriodicSite: Li (17.93, 14.86, 3.693) [0.8826, 0.7315, 0.1818]\n", + " PeriodicSite: Li (17.61, 14.68, 12.72) [0.8671, 0.7225, 0.6261]\n", + " PeriodicSite: Li (8.756, 6.783, 5.717) [0.4311, 0.3339, 0.2814]\n", + " PeriodicSite: Li (6.423, 0.03855, 13.02) [0.3162, 0.001896, 0.6411]\n", + " PeriodicSite: Li (9.866, 13.31, 3.058) [0.4857, 0.6553, 0.1505]\n", + " PeriodicSite: Li (5.307, 13.42, 11.77) [0.2613, 0.6608, 0.5796]\n", + " PeriodicSite: Li (20.22, 2.296, 2.457) [0.9952, 0.113, 0.1209]\n", + " PeriodicSite: Li (18.4, 4.806, 13.22) [0.9056, 0.2366, 0.6508]\n", + " PeriodicSite: Li (17.27, 14.36, 1.255) [0.8504, 0.7069, 0.06177]\n", + " PeriodicSite: Li (15.41, 12.03, 13.42) [0.7585, 0.5923, 0.6607]\n", + " PeriodicSite: Li (2.434, 0.5719, 6.264) [0.1198, 0.02815, 0.3084]\n", + " PeriodicSite: Li (5.026, 2.381, 13.49) [0.2474, 0.1172, 0.6641]\n", + " PeriodicSite: Li (6.687, 13.57, 0.01918) [0.3292, 0.668, 0.0009474]\n", + " PeriodicSite: Li (7.581, 6.771, 15.73) [0.3732, 0.3333, 0.7746]\n", + " PeriodicSite: Li (18.78, 5.012, 2.823) [0.9245, 0.2467, 0.139]\n", + " PeriodicSite: Li (16.87, 19.7, 13.24) [0.8305, 0.9697, 0.6518]\n", + " PeriodicSite: Li (15.82, 13.23, 19.44) [0.7786, 0.6513, 0.9572]\n", + " PeriodicSite: Li (19.4, 12.0, 11.43) [0.9553, 0.5909, 0.5625]\n", + " PeriodicSite: Li (6.575, 3.016, 0.05453) [0.3237, 0.1485, 0.002687]\n", + " PeriodicSite: Li (5.516, 2.919, 10.64) [0.2716, 0.1437, 0.5237]\n", + " PeriodicSite: Li (8.026, 10.35, 2.34) [0.3951, 0.5097, 0.1152]\n", + " PeriodicSite: Li (8.965, 11.92, 10.71) [0.4413, 0.587, 0.527]\n", + " PeriodicSite: Li (15.4, 3.447, 2.175) [0.758, 0.1697, 0.1071]\n", + " PeriodicSite: Li (15.53, 2.998, 10.67) [0.7644, 0.1476, 0.5254]\n", + " PeriodicSite: Li (0.99, 10.68, 18.33) [0.04874, 0.5257, 0.9025]\n", + " PeriodicSite: Li (19.43, 12.96, 14.21) [0.9568, 0.638, 0.6996]\n", + " PeriodicSite: Li (7.797, 0.4115, 1.168) [0.3839, 0.02025, 0.05749]\n", + " PeriodicSite: Li (8.325, 1.897, 10.58) [0.4099, 0.09337, 0.5207]\n", + " PeriodicSite: Li (7.507, 12.92, 4.505) [0.3696, 0.6361, 0.2218]\n", + " PeriodicSite: Li (4.781, 17.0, 11.98) [0.2354, 0.837, 0.5897]\n", + " PeriodicSite: Li (17.35, 3.518, 0.303) [0.8541, 0.1732, 0.01492]\n", + " PeriodicSite: Li (2.312, 6.293, 14.72) [0.1138, 0.3098, 0.7246]\n", + " PeriodicSite: Li (3.0, 14.95, 8.209) [0.1477, 0.736, 0.4041]\n", + " PeriodicSite: Li (16.13, 13.11, 10.57) [0.794, 0.6454, 0.5202]\n", + " PeriodicSite: Li (14.26, 8.729, 6.432) [0.7022, 0.4297, 0.3167]\n", + " PeriodicSite: Li (5.327, 8.629, 16.97) [0.2622, 0.4248, 0.8353]\n", + " PeriodicSite: Li (7.317, 15.16, 10.33) [0.3602, 0.7464, 0.5085]\n", + " PeriodicSite: Li (4.807, 15.47, 18.21) [0.2367, 0.7614, 0.8963]\n", + " PeriodicSite: Li (16.93, 9.92, 7.116) [0.8333, 0.4884, 0.3503]\n", + " PeriodicSite: Li (1.541, 4.708, 17.8) [0.07589, 0.2318, 0.8762]\n", + " PeriodicSite: Li (17.39, 17.92, 5.578) [0.8564, 0.8821, 0.2746]\n", + " PeriodicSite: Li (20.0, 18.19, 18.25) [0.9847, 0.8954, 0.8984]\n", + " PeriodicSite: Li (7.372, 9.851, 5.593) [0.3629, 0.485, 0.2754]\n", + " PeriodicSite: Li (8.732, 5.087, 17.57) [0.4299, 0.2504, 0.8651]\n", + " PeriodicSite: Li (7.991, 0.146, 7.806) [0.3934, 0.007186, 0.3843]\n", + " PeriodicSite: Li (6.552, 18.84, 15.07) [0.3226, 0.9273, 0.7417]\n", + " PeriodicSite: Li (18.62, 9.308, 9.277) [0.9167, 0.4582, 0.4567]\n", + " PeriodicSite: Li (18.89, 3.942, 17.08) [0.9301, 0.194, 0.8409]\n", + " PeriodicSite: Li (18.85, 19.27, 8.1) [0.9282, 0.9488, 0.3988]\n", + " PeriodicSite: Li (18.54, 15.51, 17.34) [0.9125, 0.7634, 0.8535]\n", + " PeriodicSite: Li (6.963, 5.363, 8.326) [0.3428, 0.264, 0.4099]\n", + " PeriodicSite: Li (5.482, 5.899, 18.33) [0.2699, 0.2904, 0.9024]\n", + " PeriodicSite: Li (8.16, 18.11, 10.13) [0.4017, 0.8914, 0.4986]\n", + " PeriodicSite: Li (11.3, 13.37, 16.16) [0.5562, 0.6583, 0.7955]\n", + " PeriodicSite: Li (19.54, 7.59, 6.887) [0.9622, 0.3737, 0.3391]\n", + " PeriodicSite: Li (18.73, 7.236, 15.51) [0.9222, 0.3562, 0.7634]\n", + " PeriodicSite: Li (17.25, 16.76, 10.23) [0.849, 0.8251, 0.5034]\n", + " PeriodicSite: Li (16.88, 16.92, 0.52) [0.8309, 0.8332, 0.02561]\n", + " PeriodicSite: Li (8.077, 8.307, 9.978) [0.3976, 0.409, 0.4912]\n", + " PeriodicSite: Li (6.501, 6.871, 0.004358) [0.32, 0.3382, 0.0002169]\n", + " PeriodicSite: Li (5.249, 17.56, 8.907) [0.2584, 0.8646, 0.4385]\n", + " PeriodicSite: Li (7.439, 15.51, 2.303) [0.3662, 0.7635, 0.1134]\n", + " PeriodicSite: Li (15.17, 6.691, 8.097) [0.747, 0.3294, 0.3986]\n", + " PeriodicSite: Li (18.43, 8.745, 19.35) [0.9073, 0.4305, 0.9526]\n", + " PeriodicSite: Li (15.42, 18.28, 7.262) [0.7593, 0.9, 0.3575]\n", + " PeriodicSite: Li (15.92, 17.87, 16.15) [0.784, 0.8799, 0.7951]\n", + " PeriodicSite: Li (6.786, 5.118, 11.59) [0.3341, 0.252, 0.5706]\n", + " PeriodicSite: Li (7.622, 9.698, 17.28) [0.3752, 0.4774, 0.8509]\n", + " PeriodicSite: Li (8.99, 17.91, 5.752) [0.4426, 0.8819, 0.2832]\n", + " PeriodicSite: Li (10.35, 18.76, 1.699) [0.5095, 0.9236, 0.08363]\n", + " PeriodicSite: Li (17.2, 8.896, 4.959) [0.847, 0.4379, 0.2441]\n", + " PeriodicSite: Li (15.76, 5.994, 18.74) [0.7761, 0.2951, 0.9224]\n", + " PeriodicSite: Li (19.47, 16.04, 7.702) [0.9587, 0.7895, 0.3792]\n", + " PeriodicSite: Li (18.11, 0.4137, 1.11) [0.8914, 0.02036, 0.05463]\n", + " PeriodicSite: Li (2.665, 9.556, 3.962) [0.1312, 0.4705, 0.1951]\n", + " PeriodicSite: Li (9.239, 8.059, 19.84) [0.4549, 0.3967, 0.9768]\n", + " PeriodicSite: Li (7.7, 15.67, 7.345) [0.3791, 0.7714, 0.3616]\n", + " PeriodicSite: Li (7.263, 20.2, 17.43) [0.3575, 0.9946, 0.8581]\n", + " PeriodicSite: Li (17.72, 5.689, 6.411) [0.8723, 0.28, 0.3156]\n", + " PeriodicSite: Li (17.26, 11.78, 15.41) [0.8499, 0.58, 0.7588]\n", + " PeriodicSite: Li (1.426, 15.53, 3.3) [0.07022, 0.7644, 0.1625]\n", + " PeriodicSite: Li (13.44, 0.08266, 13.62) [0.6616, 0.004064, 0.6706]\n", + " PeriodicSite: Cl (7.616, 12.92, 12.68) [0.3749, 0.6361, 0.6241]\n", + " PeriodicSite: Cl (2.697, 12.87, 17.91) [0.1328, 0.6336, 0.8819]\n", + " PeriodicSite: Cl (12.79, 17.64, 12.6) [0.6298, 0.8685, 0.6201]\n", + " PeriodicSite: Cl (17.75, 7.573, 17.72) [0.874, 0.3728, 0.8725]\n", + " PeriodicSite: Cl (7.588, 2.347, 2.424) [0.3735, 0.1155, 0.1194]\n", + " PeriodicSite: Cl (7.506, 7.434, 7.544) [0.3695, 0.366, 0.3714]\n", + " PeriodicSite: Cl (12.87, 12.7, 7.793) [0.6334, 0.6251, 0.3837]\n", + " PeriodicSite: Cl (2.907, 7.816, 2.412) [0.1431, 0.3848, 0.1188]\n", + " PeriodicSite: Cl (2.733, 7.765, 13.06) [0.1345, 0.3823, 0.6431]\n", + " PeriodicSite: Cl (13.03, 12.87, 18.13) [0.6416, 0.6334, 0.8927]\n", + " PeriodicSite: Cl (17.53, 17.53, 17.88) [0.8632, 0.8629, 0.8805]\n", + " PeriodicSite: Cl (2.235, 2.568, 7.265) [0.1101, 0.1264, 0.3576]\n", + " PeriodicSite: Cl (12.52, 2.252, 17.96) [0.6163, 0.1108, 0.884]\n", + " PeriodicSite: Cl (12.46, 7.709, 2.341) [0.6133, 0.3795, 0.1153]\n", + " PeriodicSite: Cl (17.69, 2.772, 12.35) [0.871, 0.1365, 0.6083]\n", + " PeriodicSite: Cl (7.491, 18.16, 17.72) [0.3688, 0.8938, 0.8723]\n", + " PeriodicSite: Cl (0.02416, 20.17, 0.8487) [0.001181, 0.9929, 0.04178]\n", + " PeriodicSite: Cl (0.0853, 0.2197, 10.52) [0.004202, 0.01082, 0.5181]\n", + " PeriodicSite: Cl (20.22, 10.07, 0.006175) [0.9957, 0.4955, 0.0003104]\n", + " PeriodicSite: Cl (20.08, 10.16, 10.45) [0.9887, 0.5004, 0.5144]\n", + " PeriodicSite: Cl (9.765, 20.23, 20.16) [0.4807, 0.9958, 0.9924]\n", + " PeriodicSite: Cl (9.675, 0.6068, 9.494) [0.4763, 0.02987, 0.4674]\n", + " PeriodicSite: Cl (10.07, 10.08, 20.13) [0.4958, 0.4965, 0.9911]\n", + " PeriodicSite: Cl (10.23, 9.691, 10.1) [0.5037, 0.4771, 0.4971]\n", + " PeriodicSite: Cl (19.79, 5.793, 5.252) [0.9743, 0.2852, 0.2586]\n", + " PeriodicSite: Cl (0.1737, 5.099, 15.83) [0.008553, 0.251, 0.7794]\n", + " PeriodicSite: Cl (20.29, 15.32, 5.317) [0.9991, 0.7543, 0.2618]\n", + " PeriodicSite: Cl (0.05498, 15.23, 15.2) [0.002704, 0.75, 0.7485]\n", + " PeriodicSite: Cl (10.76, 5.328, 4.755) [0.5296, 0.2623, 0.2341]\n", + " PeriodicSite: Cl (9.94, 5.082, 15.52) [0.4894, 0.2502, 0.7643]\n", + " PeriodicSite: Cl (9.518, 15.52, 4.672) [0.4686, 0.7639, 0.23]\n", + " PeriodicSite: Cl (9.855, 15.63, 15.15) [0.4852, 0.7693, 0.7457]\n", + " PeriodicSite: S (4.622, 0.007491, 5.316) [0.2276, 0.0003671, 0.2617]\n", + " PeriodicSite: S (5.319, 0.3495, 15.19) [0.2619, 0.01721, 0.748]\n", + " PeriodicSite: S (5.113, 10.41, 4.845) [0.2517, 0.5125, 0.2385]\n", + " PeriodicSite: S (5.377, 10.29, 15.23) [0.2647, 0.5064, 0.7498]\n", + " PeriodicSite: S (15.0, 19.83, 5.287) [0.7382, 0.9765, 0.2603]\n", + " PeriodicSite: S (15.32, 19.91, 15.18) [0.754, 0.9804, 0.7472]\n", + " PeriodicSite: S (15.59, 10.52, 5.141) [0.7676, 0.5177, 0.2531]\n", + " PeriodicSite: S (15.7, 9.975, 14.89) [0.773, 0.4911, 0.733]\n", + " PeriodicSite: S (5.122, 4.724, 20.2) [0.2522, 0.2325, 0.9947]\n", + " PeriodicSite: S (4.98, 5.067, 10.08) [0.2452, 0.2494, 0.4962]\n", + " PeriodicSite: S (5.041, 15.42, 0.2348) [0.2482, 0.7594, 0.01156]\n", + " PeriodicSite: S (4.851, 15.2, 10.22) [0.2388, 0.7482, 0.5031]\n", + " PeriodicSite: S (15.16, 4.729, 0.2347) [0.7465, 0.2328, 0.01156]\n", + " PeriodicSite: S (14.92, 5.296, 10.01) [0.7344, 0.2607, 0.4928]\n", + " PeriodicSite: S (15.22, 15.42, 0.2798) [0.7493, 0.7592, 0.01378]\n", + " PeriodicSite: S (15.26, 15.41, 10.44) [0.7512, 0.7586, 0.5138]\n", + " PeriodicSite: S (8.529, 3.982, 9.106) [0.4199, 0.196, 0.4483]\n", + " PeriodicSite: S (8.862, 3.607, 19.47) [0.4363, 0.1776, 0.9587]\n", + " PeriodicSite: S (8.995, 14.16, 8.673) [0.4428, 0.697, 0.427]\n", + " PeriodicSite: S (9.021, 14.14, 19.11) [0.4441, 0.6959, 0.9408]\n", + " PeriodicSite: S (18.95, 4.462, 8.578) [0.9327, 0.2197, 0.4223]\n", + " PeriodicSite: S (19.42, 3.944, 19.32) [0.9561, 0.1942, 0.9513]\n", + " PeriodicSite: S (18.78, 13.88, 9.429) [0.9244, 0.6835, 0.4642]\n", + " PeriodicSite: S (18.72, 13.98, 19.23) [0.9215, 0.688, 0.9466]\n", + " PeriodicSite: S (3.615, 1.368, 1.455) [0.178, 0.06735, 0.07165]\n", + " PeriodicSite: S (3.758, 1.164, 11.57) [0.185, 0.05733, 0.5697]\n", + " PeriodicSite: S (3.697, 11.21, 0.966) [0.182, 0.5518, 0.04756]\n", + " PeriodicSite: S (3.873, 11.66, 10.92) [0.1907, 0.5742, 0.5376]\n", + " PeriodicSite: S (14.26, 1.533, 0.9956) [0.7023, 0.07545, 0.04902]\n", + " PeriodicSite: S (14.09, 1.028, 11.49) [0.6939, 0.05062, 0.5654]\n", + " PeriodicSite: S (14.27, 10.99, 1.441) [0.7024, 0.5412, 0.07094]\n", + " PeriodicSite: S (14.24, 11.27, 11.18) [0.7012, 0.5548, 0.5502]\n", + " PeriodicSite: S (5.828, 1.166, 8.939) [0.2869, 0.05741, 0.4401]\n", + " PeriodicSite: S (5.878, 1.043, 19.39) [0.2894, 0.05136, 0.9544]\n", + " PeriodicSite: S (6.597, 11.61, 8.783) [0.3248, 0.5714, 0.4324]\n", + " PeriodicSite: S (6.239, 11.26, 18.98) [0.3071, 0.5546, 0.9344]\n", + " PeriodicSite: S (16.59, 1.083, 9.193) [0.8168, 0.05329, 0.4526]\n", + " PeriodicSite: S (16.76, 1.228, 19.05) [0.8251, 0.06046, 0.938]\n", + " PeriodicSite: S (16.63, 11.26, 9.054) [0.8185, 0.5542, 0.4458]\n", + " PeriodicSite: S (16.5, 11.07, 19.0) [0.8124, 0.5451, 0.9352]\n", + " PeriodicSite: S (1.398, 4.026, 1.444) [0.06881, 0.1982, 0.07109]\n", + " PeriodicSite: S (1.244, 3.7, 10.6) [0.06123, 0.1822, 0.522]\n", + " PeriodicSite: S (1.005, 13.79, 1.15) [0.04947, 0.6788, 0.05661]\n", + " PeriodicSite: S (0.8493, 13.78, 11.68) [0.04181, 0.6782, 0.5748]\n", + " PeriodicSite: S (11.57, 3.962, 0.8869) [0.5694, 0.1951, 0.04367]\n", + " PeriodicSite: S (10.95, 3.716, 11.42) [0.539, 0.1829, 0.5623]\n", + " PeriodicSite: S (11.29, 14.1, 1.144) [0.5556, 0.6943, 0.0563]\n", + " PeriodicSite: S (10.9, 13.46, 11.16) [0.5365, 0.6625, 0.5494]\n", + " PeriodicSite: S (2.438, 2.469, 17.67) [0.12, 0.1216, 0.8701]\n", + " PeriodicSite: S (2.46, 12.57, 7.624) [0.1211, 0.6191, 0.3753]\n", + " PeriodicSite: S (12.98, 2.421, 7.591) [0.6391, 0.1192, 0.3737]\n", + " PeriodicSite: S (8.916, 8.762, 4.099) [0.4389, 0.4313, 0.2018]\n", + " PeriodicSite: S (9.134, 8.929, 14.2) [0.4497, 0.4396, 0.699]\n", + " PeriodicSite: S (8.818, 19.52, 3.545) [0.4341, 0.9612, 0.1745]\n", + " PeriodicSite: S (8.864, 19.66, 13.87) [0.4364, 0.9679, 0.6828]\n", + " PeriodicSite: S (19.36, 9.718, 3.707) [0.9532, 0.4784, 0.1825]\n", + " PeriodicSite: S (18.98, 8.82, 13.93) [0.9344, 0.4342, 0.6859]\n", + " PeriodicSite: S (18.97, 18.76, 4.047) [0.9341, 0.9233, 0.1993]\n", + " PeriodicSite: S (18.81, 19.22, 14.09) [0.9262, 0.9461, 0.6939]\n", + " PeriodicSite: S (4.105, 6.221, 6.418) [0.2021, 0.3063, 0.316]\n", + " PeriodicSite: S (4.029, 6.262, 16.46) [0.1983, 0.3083, 0.8104]\n", + " PeriodicSite: S (3.841, 16.38, 6.496) [0.1891, 0.8064, 0.3198]\n", + " PeriodicSite: S (3.418, 16.44, 16.43) [0.1683, 0.8094, 0.8087]\n", + " PeriodicSite: S (14.05, 6.073, 6.342) [0.6919, 0.299, 0.3122]\n", + " PeriodicSite: S (14.3, 6.32, 16.83) [0.7039, 0.3111, 0.8285]\n", + " PeriodicSite: S (13.79, 16.08, 6.568) [0.679, 0.7918, 0.3233]\n", + " PeriodicSite: S (14.28, 16.34, 16.18) [0.703, 0.8044, 0.7965]\n", + " PeriodicSite: S (6.377, 6.574, 4.065) [0.314, 0.3237, 0.2001]\n", + " PeriodicSite: S (6.081, 6.438, 13.71) [0.2994, 0.3169, 0.6748]\n", + " PeriodicSite: S (6.221, 16.62, 4.046) [0.3063, 0.8181, 0.1992]\n", + " PeriodicSite: S (5.822, 16.63, 13.95) [0.2866, 0.8186, 0.6869]\n", + " PeriodicSite: S (16.34, 6.083, 3.861) [0.8043, 0.2995, 0.1901]\n", + " PeriodicSite: S (16.63, 6.328, 14.46) [0.8189, 0.3115, 0.7119]\n", + " PeriodicSite: S (16.21, 16.33, 4.178) [0.7982, 0.8041, 0.2057]\n", + " PeriodicSite: S (16.74, 16.17, 14.22) [0.8241, 0.7958, 0.7002]\n", + " PeriodicSite: S (1.202, 8.946, 6.035) [0.05919, 0.4404, 0.2971]\n", + " PeriodicSite: S (1.043, 8.87, 16.34) [0.05133, 0.4367, 0.8042]\n", + " PeriodicSite: S (0.8289, 19.2, 6.672) [0.0408, 0.9454, 0.3284]\n", + " PeriodicSite: S (0.9961, 19.13, 16.15) [0.04904, 0.942, 0.7952]\n", + " PeriodicSite: S (11.8, 9.524, 5.969) [0.5811, 0.4689, 0.2939]\n", + " PeriodicSite: S (12.08, 9.098, 16.38) [0.5947, 0.4479, 0.8063]\n", + " PeriodicSite: S (11.05, 19.47, 5.935) [0.5441, 0.9585, 0.2922]\n", + " PeriodicSite: S (11.33, 19.25, 16.24) [0.5577, 0.9479, 0.7996]\n", + " PeriodicSite: S (2.389, 17.75, 2.802) [0.1176, 0.8736, 0.1379]\n", + " PeriodicSite: S (2.537, 17.82, 12.8) [0.1249, 0.8771, 0.63]\n", + " PeriodicSite: S (13.09, 7.977, 12.73) [0.6447, 0.3927, 0.6269]\n", + " PeriodicSite: S (12.8, 18.21, 2.422) [0.6301, 0.8963, 0.1192]\n", + " PeriodicSite: S (4.056, 4.225, 3.699) [0.1997, 0.208, 0.1821]\n", + " PeriodicSite: S (3.496, 4.172, 14.08) [0.1721, 0.2054, 0.6932]\n", + " PeriodicSite: S (3.836, 14.34, 3.695) [0.1888, 0.7061, 0.1819]\n", + " PeriodicSite: S (3.884, 13.98, 14.13) [0.1912, 0.6881, 0.6956]\n", + " PeriodicSite: S (13.95, 3.499, 4.015) [0.6868, 0.1722, 0.1977]\n", + " PeriodicSite: S (14.15, 4.175, 14.3) [0.6968, 0.2055, 0.7039]\n", + " PeriodicSite: S (13.73, 14.29, 3.864) [0.6761, 0.7034, 0.1902]\n", + " PeriodicSite: S (14.1, 13.96, 14.0) [0.6941, 0.6873, 0.6894]\n", + " PeriodicSite: S (8.88, 1.731, 5.607) [0.4372, 0.08521, 0.276]\n", + " PeriodicSite: S (9.007, 1.498, 16.57) [0.4434, 0.07374, 0.8159]\n", + " PeriodicSite: S (8.964, 11.36, 6.015) [0.4413, 0.5592, 0.2961]\n", + " PeriodicSite: S (9.289, 11.38, 16.44) [0.4573, 0.5603, 0.8094]\n", + " PeriodicSite: S (18.63, 0.8232, 6.338) [0.917, 0.04052, 0.312]\n", + " PeriodicSite: S (18.9, 1.206, 16.4) [0.9306, 0.05936, 0.8074]\n", + " PeriodicSite: S (19.18, 11.29, 6.628) [0.9443, 0.5557, 0.3263]\n", + " PeriodicSite: S (19.42, 11.42, 16.37) [0.956, 0.5623, 0.8061]\n", + " PeriodicSite: S (0.9594, 1.029, 4.321) [0.04723, 0.05064, 0.2127]\n", + " PeriodicSite: S (0.8384, 1.457, 14.05) [0.04128, 0.07175, 0.6915]\n", + " PeriodicSite: S (1.431, 11.77, 4.267) [0.07043, 0.5794, 0.21]\n", + " PeriodicSite: S (1.009, 11.14, 13.79) [0.04969, 0.5484, 0.6789]\n", + " PeriodicSite: S (11.43, 1.43, 3.479) [0.5625, 0.07039, 0.1713]\n", + " PeriodicSite: S (11.22, 1.591, 14.48) [0.5525, 0.07832, 0.7127]\n", + " PeriodicSite: S (11.07, 11.26, 3.193) [0.545, 0.5542, 0.1572]\n", + " PeriodicSite: S (11.63, 11.3, 13.93) [0.5728, 0.5562, 0.6856]\n", + " PeriodicSite: S (6.463, 4.04, 6.287) [0.3182, 0.1989, 0.3095]\n", + " PeriodicSite: S (6.31, 3.948, 15.81) [0.3106, 0.1944, 0.7782]\n", + " PeriodicSite: S (6.16, 14.03, 6.223) [0.3033, 0.6906, 0.3064]\n", + " PeriodicSite: S (6.068, 14.46, 16.62) [0.2987, 0.7117, 0.8182]\n", + " PeriodicSite: S (16.53, 3.715, 6.163) [0.8137, 0.1829, 0.3034]\n", + " PeriodicSite: S (16.56, 3.994, 16.7) [0.8155, 0.1966, 0.8223]\n", + " PeriodicSite: S (16.31, 13.8, 6.291) [0.803, 0.6792, 0.3097]\n", + " PeriodicSite: S (16.37, 13.8, 16.65) [0.8058, 0.6793, 0.8199]\n", + " PeriodicSite: S (7.147, 2.687, 12.48) [0.3518, 0.1323, 0.6143]\n", + " PeriodicSite: S (7.649, 12.76, 2.139) [0.3766, 0.6282, 0.1053]\n", + " PeriodicSite: S (18.03, 2.455, 2.515) [0.8875, 0.1208, 0.1238]\n", + " PeriodicSite: S (17.65, 12.64, 2.606) [0.8689, 0.6222, 0.1283]\n", + " PeriodicSite: S (17.7, 12.45, 13.0) [0.8713, 0.6129, 0.6402]\n", + " PeriodicSite: S (4.038, 9.204, 8.6) [0.1988, 0.4531, 0.4234]\n", + " PeriodicSite: S (4.028, 8.826, 19.2) [0.1983, 0.4345, 0.9453]\n", + " PeriodicSite: S (3.365, 19.11, 9.051) [0.1657, 0.9409, 0.4456]\n", + " PeriodicSite: S (3.26, 19.0, 19.43) [0.1605, 0.9353, 0.9567]\n", + " PeriodicSite: S (14.31, 8.706, 8.96) [0.7043, 0.4286, 0.4411]\n", + " PeriodicSite: S (13.97, 8.671, 19.32) [0.6879, 0.4269, 0.9512]\n", + " PeriodicSite: S (13.82, 19.46, 8.764) [0.6803, 0.9582, 0.4315]\n", + " PeriodicSite: S (14.26, 19.26, 19.11) [0.702, 0.9481, 0.9409]\n", + " PeriodicSite: S (8.955, 6.074, 1.368) [0.4409, 0.299, 0.06733]\n", + " PeriodicSite: S (8.889, 6.4, 11.46) [0.4376, 0.3151, 0.5642]\n", + " PeriodicSite: S (9.242, 16.84, 0.8721) [0.455, 0.8292, 0.04294]\n", + " PeriodicSite: S (8.911, 16.11, 11.64) [0.4387, 0.7929, 0.5732]\n", + " PeriodicSite: S (19.37, 6.489, 1.149) [0.9536, 0.3194, 0.05657]\n", + " PeriodicSite: S (19.32, 6.26, 11.31) [0.9511, 0.3082, 0.5569]\n", + " PeriodicSite: S (18.99, 16.1, 1.854) [0.9348, 0.7926, 0.09128]\n", + " PeriodicSite: S (19.12, 16.54, 11.58) [0.9411, 0.8142, 0.5699]\n", + " PeriodicSite: S (1.182, 6.688, 8.896) [0.05817, 0.3292, 0.4379]\n", + " PeriodicSite: S (1.514, 6.395, 19.38) [0.07454, 0.3148, 0.9543]\n", + " PeriodicSite: S (1.148, 16.04, 9.33) [0.05652, 0.7895, 0.4593]\n", + " PeriodicSite: S (0.7271, 16.39, 19.37) [0.0358, 0.8067, 0.9534]\n", + " PeriodicSite: S (11.22, 5.839, 9.015) [0.5523, 0.2875, 0.4438]\n", + " PeriodicSite: S (10.69, 6.299, 18.98) [0.5264, 0.3101, 0.9342]\n", + " PeriodicSite: S (11.63, 16.12, 9.055) [0.5723, 0.7936, 0.4458]\n", + " PeriodicSite: S (11.71, 16.14, 18.88) [0.5764, 0.7946, 0.9295]\n", + " PeriodicSite: S (6.334, 8.97, 1.236) [0.3119, 0.4416, 0.06085]\n", + " PeriodicSite: S (6.134, 9.202, 11.16) [0.302, 0.453, 0.5494]\n", + " PeriodicSite: S (5.897, 18.97, 1.316) [0.2903, 0.9337, 0.06481]\n", + " PeriodicSite: S (6.035, 18.87, 11.16) [0.2971, 0.9292, 0.5495]\n", + " PeriodicSite: S (16.8, 9.052, 1.037) [0.8272, 0.4456, 0.05104]\n", + " PeriodicSite: S (16.81, 8.824, 11.32) [0.8278, 0.4344, 0.5575]\n", + " PeriodicSite: S (16.34, 19.31, 1.313) [0.8046, 0.9505, 0.06465]\n", + " PeriodicSite: S (16.15, 18.59, 11.32) [0.7953, 0.9152, 0.5574]\n", + " PeriodicSite: S (7.384, 7.272, 18.09) [0.3635, 0.358, 0.8907]\n", + " PeriodicSite: S (7.371, 17.93, 7.816) [0.3629, 0.8827, 0.3848]\n", + " PeriodicSite: S (17.58, 7.749, 7.603) [0.8656, 0.3815, 0.3743]\n", + " PeriodicSite: S (17.55, 17.39, 8.033) [0.8641, 0.8562, 0.3955]\n", + " PeriodicSite: P (4.603, 20.18, 0.3438) [0.2266, 0.9937, 0.01693]\n", + " PeriodicSite: P (4.716, 20.18, 10.13) [0.2322, 0.9933, 0.4989]\n", + " PeriodicSite: P (5.105, 10.11, 20.23) [0.2513, 0.4979, 0.9958]\n", + " PeriodicSite: P (5.237, 10.48, 9.956) [0.2578, 0.5158, 0.4901]\n", + " PeriodicSite: P (15.42, 0.2385, 20.27) [0.7593, 0.01174, 0.9979]\n", + " PeriodicSite: P (15.16, 20.17, 10.17) [0.7466, 0.9931, 0.5008]\n", + " PeriodicSite: P (15.28, 9.925, 20.3) [0.7521, 0.4886, 0.9992]\n", + " PeriodicSite: P (15.42, 9.975, 10.19) [0.7594, 0.4911, 0.5016]\n", + " PeriodicSite: P (5.284, 5.19, 5.112) [0.2601, 0.2555, 0.2517]\n", + " PeriodicSite: P (5.006, 5.244, 14.95) [0.2464, 0.2582, 0.7361]\n", + " PeriodicSite: P (5.015, 15.36, 5.194) [0.2469, 0.7563, 0.2557]\n", + " PeriodicSite: P (4.806, 15.37, 15.27) [0.2366, 0.7566, 0.7516]\n", + " PeriodicSite: P (15.28, 4.746, 5.023) [0.7524, 0.2337, 0.2473]\n", + " PeriodicSite: P (15.4, 5.121, 15.5) [0.7583, 0.2521, 0.7633]\n", + " PeriodicSite: P (15.07, 14.98, 5.215) [0.7417, 0.7377, 0.2567]\n", + " PeriodicSite: P (15.37, 14.93, 15.19) [0.7565, 0.735, 0.748]\n", + " PeriodicSite: P (20.06, 20.08, 5.246) [0.9874, 0.9886, 0.2583]\n", + " PeriodicSite: P (20.07, 0.1538, 15.15) [0.9881, 0.007566, 0.746]\n", + " PeriodicSite: P (0.1596, 10.41, 5.256) [0.007855, 0.5124, 0.2588]\n", + " PeriodicSite: P (20.25, 10.06, 15.2) [0.997, 0.4951, 0.7481]\n", + " PeriodicSite: P (10.15, 0.375, 4.588) [0.4999, 0.01846, 0.2259]\n", + " PeriodicSite: P (9.969, 0.2901, 15.3) [0.4908, 0.01428, 0.7534]\n", + " PeriodicSite: P (10.27, 10.2, 4.812) [0.5055, 0.5024, 0.2369]\n", + " PeriodicSite: P (10.54, 10.01, 15.24) [0.519, 0.493, 0.7504]\n", + " PeriodicSite: P (0.2729, 5.184, 0.173) [0.01343, 0.2552, 0.008518]\n", + " PeriodicSite: P (0.05746, 5.152, 9.911) [0.002829, 0.2537, 0.4879]\n", + " PeriodicSite: P (19.95, 15.1, 0.1659) [0.9819, 0.7432, 0.008173]\n", + " PeriodicSite: P (20.09, 15.03, 10.48) [0.9893, 0.7399, 0.5158]\n", + " PeriodicSite: P (10.1, 5.045, 0.02556) [0.4974, 0.2484, 0.001261]\n", + " PeriodicSite: P (9.885, 4.967, 10.26) [0.4867, 0.2445, 0.5052]\n", + " PeriodicSite: P (10.3, 15.3, 20.14) [0.507, 0.753, 0.9916]\n", + " PeriodicSite: P (10.21, 15.06, 10.12) [0.5025, 0.7413, 0.4982],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.481, 6.115, 6.054) [0.07292, 0.301, 0.2981]\n", + " PeriodicSite: Li (1.954, 2.712, 15.49) [0.09622, 0.1335, 0.7624]\n", + " PeriodicSite: Li (2.198, 12.54, 10.02) [0.1082, 0.6171, 0.4931]\n", + " PeriodicSite: Li (1.157, 14.92, 17.51) [0.05695, 0.7344, 0.8621]\n", + " PeriodicSite: Li (14.89, 0.8438, 7.613) [0.7331, 0.04154, 0.3748]\n", + " PeriodicSite: Li (12.28, 3.412, 15.46) [0.6044, 0.168, 0.7613]\n", + " PeriodicSite: Li (17.12, 12.14, 4.73) [0.843, 0.5976, 0.2329]\n", + " PeriodicSite: Li (15.98, 8.519, 16.3) [0.7867, 0.4194, 0.8024]\n", + " PeriodicSite: Li (4.189, 3.948, 8.649) [0.2062, 0.1943, 0.4258]\n", + " PeriodicSite: Li (2.476, 0.1822, 17.26) [0.1219, 0.008971, 0.8498]\n", + " PeriodicSite: Li (5.237, 8.244, 6.778) [0.2578, 0.4059, 0.3337]\n", + " PeriodicSite: Li (7.258, 9.841, 14.12) [0.3573, 0.4845, 0.695]\n", + " PeriodicSite: Li (11.95, 4.548, 7.16) [0.5884, 0.2239, 0.3525]\n", + " PeriodicSite: Li (13.44, 6.409, 0.5147) [0.6616, 0.3155, 0.02534]\n", + " PeriodicSite: Li (12.12, 9.488, 11.44) [0.5966, 0.4671, 0.5634]\n", + " PeriodicSite: Li (9.602, 18.61, 18.39) [0.4727, 0.9164, 0.9052]\n", + " PeriodicSite: Li (4.643, 1.499, 6.928) [0.2286, 0.07381, 0.3411]\n", + " PeriodicSite: Li (4.46, 1.915, 16.69) [0.2196, 0.09429, 0.8216]\n", + " PeriodicSite: Li (5.247, 11.46, 7.204) [0.2583, 0.564, 0.3547]\n", + " PeriodicSite: Li (5.706, 12.46, 14.9) [0.2809, 0.6136, 0.7337]\n", + " PeriodicSite: Li (11.97, 1.001, 10.11) [0.5891, 0.04926, 0.4977]\n", + " PeriodicSite: Li (10.71, 1.911, 18.38) [0.527, 0.09409, 0.9051]\n", + " PeriodicSite: Li (13.65, 14.8, 8.59) [0.6718, 0.7285, 0.4229]\n", + " PeriodicSite: Li (11.94, 10.06, 18.29) [0.5876, 0.4953, 0.9005]\n", + " PeriodicSite: Li (0.06001, 2.48, 7.463) [0.002955, 0.1221, 0.3674]\n", + " PeriodicSite: Li (0.8047, 1.533, 19.41) [0.03962, 0.07548, 0.9558]\n", + " PeriodicSite: Li (0.9022, 13.19, 5.981) [0.04441, 0.6495, 0.2945]\n", + " PeriodicSite: Li (3.236, 13.38, 20.25) [0.1593, 0.6589, 0.9971]\n", + " PeriodicSite: Li (13.39, 1.759, 5.367) [0.6592, 0.08657, 0.2642]\n", + " PeriodicSite: Li (13.5, 0.4508, 16.97) [0.6645, 0.02219, 0.8354]\n", + " PeriodicSite: Li (11.93, 9.954, 8.165) [0.5872, 0.49, 0.402]\n", + " PeriodicSite: Li (13.19, 15.44, 18.62) [0.6493, 0.7602, 0.9165]\n", + " PeriodicSite: Li (7.198, 0.9645, 4.23) [0.3544, 0.04748, 0.2082]\n", + " PeriodicSite: Li (1.79, 19.96, 2.177) [0.0881, 0.9827, 0.1072]\n", + " PeriodicSite: Li (4.872, 13.04, 9.371) [0.2399, 0.642, 0.4613]\n", + " PeriodicSite: Li (0.1352, 17.64, 13.94) [0.00665, 0.8686, 0.6862]\n", + " PeriodicSite: Li (14.55, 4.014, 7.973) [0.7164, 0.1976, 0.3925]\n", + " PeriodicSite: Li (14.38, 2.906, 19.53) [0.708, 0.1431, 0.9614]\n", + " PeriodicSite: Li (16.63, 15.35, 8.104) [0.8186, 0.7557, 0.399]\n", + " PeriodicSite: Li (13.95, 13.67, 1.159) [0.6867, 0.6732, 0.05707]\n", + " PeriodicSite: Li (4.36, 1.875, 3.176) [0.2147, 0.09231, 0.1564]\n", + " PeriodicSite: Li (3.499, 3.318, 20.2) [0.1722, 0.1634, 0.9947]\n", + " PeriodicSite: Li (3.252, 12.29, 5.372) [0.1601, 0.6052, 0.2644]\n", + " PeriodicSite: Li (0.0184, 11.96, 2.086) [0.0009011, 0.5888, 0.1027]\n", + " PeriodicSite: Li (10.58, 1.618, 7.497) [0.5209, 0.07967, 0.3691]\n", + " PeriodicSite: Li (16.9, 0.5376, 17.0) [0.8321, 0.02646, 0.837]\n", + " PeriodicSite: Li (14.77, 11.99, 6.533) [0.727, 0.5904, 0.3217]\n", + " PeriodicSite: Li (14.78, 11.62, 17.17) [0.7276, 0.5719, 0.8455]\n", + " PeriodicSite: Li (4.551, 11.71, 17.36) [0.224, 0.5763, 0.8547]\n", + " PeriodicSite: Li (2.033, 10.76, 7.855) [0.1001, 0.5295, 0.3867]\n", + " PeriodicSite: Li (2.906, 17.32, 0.2726) [0.1431, 0.8526, 0.01342]\n", + " PeriodicSite: Li (2.379, 0.8291, 9.531) [0.1171, 0.04082, 0.4692]\n", + " PeriodicSite: Li (12.63, 5.412, 3.243) [0.6216, 0.2664, 0.1597]\n", + " PeriodicSite: Li (13.23, 9.674, 14.74) [0.6511, 0.4763, 0.7255]\n", + " PeriodicSite: Li (10.77, 14.24, 6.921) [0.5303, 0.701, 0.3407]\n", + " PeriodicSite: Li (14.54, 17.89, 13.72) [0.7159, 0.8809, 0.6756]\n", + " PeriodicSite: Li (3.024, 5.731, 1.394) [0.1489, 0.2821, 0.06861]\n", + " PeriodicSite: Li (2.924, 5.07, 11.88) [0.1439, 0.2496, 0.5847]\n", + " PeriodicSite: Li (5.797, 17.08, 19.52) [0.2854, 0.8409, 0.9611]\n", + " PeriodicSite: Li (3.364, 18.21, 14.63) [0.1656, 0.8967, 0.7202]\n", + " PeriodicSite: Li (16.28, 6.494, 1.386) [0.8015, 0.3197, 0.06825]\n", + " PeriodicSite: Li (10.75, 6.641, 12.73) [0.5294, 0.3269, 0.6268]\n", + " PeriodicSite: Li (13.12, 18.67, 5.011) [0.646, 0.9192, 0.2467]\n", + " PeriodicSite: Li (10.54, 17.66, 14.18) [0.5187, 0.8692, 0.6982]\n", + " PeriodicSite: Li (2.206, 9.329, 0.1851) [0.1086, 0.4593, 0.009113]\n", + " PeriodicSite: Li (4.196, 7.398, 10.12) [0.2066, 0.3642, 0.4984]\n", + " PeriodicSite: Li (4.027, 15.79, 1.96) [0.1983, 0.7776, 0.09649]\n", + " PeriodicSite: Li (2.74, 16.04, 10.59) [0.1349, 0.7898, 0.5216]\n", + " PeriodicSite: Li (12.0, 9.71, 1.325) [0.5907, 0.478, 0.06525]\n", + " PeriodicSite: Li (12.33, 6.682, 15.4) [0.607, 0.329, 0.758]\n", + " PeriodicSite: Li (11.45, 15.79, 2.769) [0.5635, 0.7773, 0.1363]\n", + " PeriodicSite: Li (13.15, 14.73, 12.24) [0.6476, 0.725, 0.6028]\n", + " PeriodicSite: Li (0.5115, 7.222, 3.126) [0.02518, 0.3555, 0.1539]\n", + " PeriodicSite: Li (17.33, 5.511, 10.15) [0.853, 0.2713, 0.4998]\n", + " PeriodicSite: Li (1.511, 17.46, 5.03) [0.0744, 0.8596, 0.2476]\n", + " PeriodicSite: Li (0.6742, 17.96, 10.84) [0.03318, 0.8842, 0.5336]\n", + " PeriodicSite: Li (10.33, 6.736, 2.908) [0.5088, 0.3316, 0.1432]\n", + " PeriodicSite: Li (14.85, 8.717, 13.03) [0.7313, 0.4291, 0.6413]\n", + " PeriodicSite: Li (13.46, 17.18, 0.138) [0.6624, 0.8457, 0.006801]\n", + " PeriodicSite: Li (8.314, 15.6, 16.94) [0.4093, 0.7679, 0.834]\n", + " PeriodicSite: Li (5.214, 8.425, 3.185) [0.2567, 0.4148, 0.1568]\n", + " PeriodicSite: Li (0.6492, 9.283, 12.27) [0.03196, 0.457, 0.604]\n", + " PeriodicSite: Li (20.28, 18.03, 2.008) [0.9982, 0.8874, 0.09885]\n", + " PeriodicSite: Li (1.802, 19.84, 12.68) [0.08871, 0.9767, 0.6242]\n", + " PeriodicSite: Li (16.06, 11.14, 2.649) [0.7905, 0.5484, 0.1304]\n", + " PeriodicSite: Li (13.53, 6.87, 10.45) [0.6659, 0.3382, 0.5146]\n", + " PeriodicSite: Li (12.38, 19.8, 0.7199) [0.6097, 0.9745, 0.03545]\n", + " PeriodicSite: Li (13.76, 17.11, 10.48) [0.6776, 0.8421, 0.5161]\n", + " PeriodicSite: Li (6.059, 4.659, 2.554) [0.2983, 0.2294, 0.1257]\n", + " PeriodicSite: Li (4.933, 8.463, 13.53) [0.2429, 0.4166, 0.6662]\n", + " PeriodicSite: Li (4.646, 18.73, 3.328) [0.2287, 0.9219, 0.1638]\n", + " PeriodicSite: Li (1.584, 15.09, 13.75) [0.078, 0.7428, 0.6772]\n", + " PeriodicSite: Li (13.44, 10.57, 4.218) [0.6618, 0.5202, 0.2076]\n", + " PeriodicSite: Li (14.2, 5.661, 12.77) [0.6989, 0.2787, 0.6287]\n", + " PeriodicSite: Li (14.47, 16.28, 2.382) [0.7122, 0.8014, 0.1173]\n", + " PeriodicSite: Li (16.76, 2.19, 15.15) [0.8253, 0.1078, 0.7458]\n", + " PeriodicSite: Li (10.01, 3.369, 4.282) [0.4928, 0.1659, 0.2108]\n", + " PeriodicSite: Li (9.171, 3.418, 13.14) [0.4515, 0.1683, 0.6468]\n", + " PeriodicSite: Li (5.445, 12.03, 2.766) [0.2681, 0.5925, 0.1362]\n", + " PeriodicSite: Li (3.045, 9.918, 14.8) [0.1499, 0.4883, 0.7289]\n", + " PeriodicSite: Li (16.59, 1.714, 4.317) [0.8166, 0.08436, 0.2126]\n", + " PeriodicSite: Li (12.71, 4.078, 9.941) [0.6256, 0.2008, 0.4894]\n", + " PeriodicSite: Li (18.05, 11.61, 0.442) [0.8884, 0.5715, 0.02176]\n", + " PeriodicSite: Li (17.56, 10.13, 13.5) [0.8646, 0.4985, 0.6646]\n", + " PeriodicSite: Li (5.387, 18.71, 6.512) [0.2652, 0.9213, 0.3206]\n", + " PeriodicSite: Li (7.026, 2.189, 14.91) [0.3459, 0.1078, 0.734]\n", + " PeriodicSite: Li (9.539, 12.56, 0.3581) [0.4696, 0.6181, 0.01764]\n", + " PeriodicSite: Li (8.872, 14.31, 13.37) [0.4368, 0.7046, 0.6581]\n", + " PeriodicSite: Li (14.5, 19.71, 2.979) [0.7141, 0.9703, 0.1467]\n", + " PeriodicSite: Li (19.83, 1.866, 11.53) [0.9763, 0.09184, 0.5677]\n", + " PeriodicSite: Li (18.48, 14.98, 3.66) [0.9099, 0.7375, 0.1802]\n", + " PeriodicSite: Li (16.89, 15.1, 12.25) [0.8317, 0.7433, 0.6029]\n", + " PeriodicSite: Li (8.343, 6.618, 5.649) [0.4107, 0.3258, 0.2781]\n", + " PeriodicSite: Li (6.808, 20.14, 13.13) [0.3351, 0.9916, 0.6466]\n", + " PeriodicSite: Li (9.859, 13.15, 3.716) [0.4854, 0.6475, 0.183]\n", + " PeriodicSite: Li (4.944, 13.28, 12.07) [0.2434, 0.6538, 0.5945]\n", + " PeriodicSite: Li (19.84, 2.549, 2.102) [0.9766, 0.1255, 0.1035]\n", + " PeriodicSite: Li (18.1, 4.859, 13.13) [0.8913, 0.2392, 0.6462]\n", + " PeriodicSite: Li (17.21, 14.47, 1.231) [0.8473, 0.7122, 0.06061]\n", + " PeriodicSite: Li (15.39, 12.06, 13.39) [0.7577, 0.5939, 0.659]\n", + " PeriodicSite: Li (2.458, 0.06409, 5.766) [0.121, 0.003155, 0.2839]\n", + " PeriodicSite: Li (4.782, 1.792, 13.47) [0.2354, 0.08823, 0.6631]\n", + " PeriodicSite: Li (6.608, 13.78, 0.1727) [0.3253, 0.6785, 0.008507]\n", + " PeriodicSite: Li (8.378, 7.275, 15.37) [0.4125, 0.3581, 0.7569]\n", + " PeriodicSite: Li (18.59, 4.551, 3.519) [0.915, 0.224, 0.1733]\n", + " PeriodicSite: Li (16.89, 0.1253, 13.1) [0.8317, 0.006163, 0.6451]\n", + " PeriodicSite: Li (16.2, 13.78, 19.02) [0.7973, 0.6786, 0.9364]\n", + " PeriodicSite: Li (18.91, 12.7, 11.05) [0.9309, 0.6254, 0.5438]\n", + " PeriodicSite: Li (6.897, 3.369, 0.07141) [0.3395, 0.1659, 0.003518]\n", + " PeriodicSite: Li (5.472, 2.828, 11.05) [0.2694, 0.1392, 0.5442]\n", + " PeriodicSite: Li (8.527, 10.56, 2.104) [0.4198, 0.5199, 0.1036]\n", + " PeriodicSite: Li (9.319, 11.91, 9.161) [0.4588, 0.5862, 0.451]\n", + " PeriodicSite: Li (15.31, 3.43, 1.793) [0.7538, 0.1688, 0.08828]\n", + " PeriodicSite: Li (16.04, 2.692, 10.56) [0.7899, 0.1325, 0.5199]\n", + " PeriodicSite: Li (0.3873, 11.09, 18.08) [0.01907, 0.5462, 0.89]\n", + " PeriodicSite: Li (19.53, 13.08, 14.2) [0.9614, 0.644, 0.699]\n", + " PeriodicSite: Li (7.82, 0.5286, 0.9191) [0.385, 0.02602, 0.04525]\n", + " PeriodicSite: Li (8.193, 1.861, 10.36) [0.4034, 0.09161, 0.5099]\n", + " PeriodicSite: Li (7.104, 12.49, 4.541) [0.3497, 0.6148, 0.2236]\n", + " PeriodicSite: Li (5.019, 17.08, 12.4) [0.2471, 0.8408, 0.6103]\n", + " PeriodicSite: Li (17.3, 3.62, 0.006319) [0.8517, 0.1782, 0.0003161]\n", + " PeriodicSite: Li (1.928, 6.842, 15.14) [0.09493, 0.3368, 0.7453]\n", + " PeriodicSite: Li (3.173, 15.33, 8.112) [0.1562, 0.7547, 0.3994]\n", + " PeriodicSite: Li (15.75, 13.02, 10.16) [0.7752, 0.641, 0.5002]\n", + " PeriodicSite: Li (14.93, 8.569, 6.367) [0.7351, 0.4219, 0.3135]\n", + " PeriodicSite: Li (5.506, 8.55, 16.8) [0.2711, 0.4209, 0.8272]\n", + " PeriodicSite: Li (7.48, 14.42, 10.91) [0.3683, 0.7099, 0.5374]\n", + " PeriodicSite: Li (3.969, 14.75, 17.91) [0.1954, 0.7259, 0.8818]\n", + " PeriodicSite: Li (17.62, 9.986, 6.681) [0.8676, 0.4916, 0.3289]\n", + " PeriodicSite: Li (1.46, 4.7, 17.71) [0.07188, 0.2314, 0.8721]\n", + " PeriodicSite: Li (16.97, 19.07, 5.137) [0.8353, 0.9388, 0.2529]\n", + " PeriodicSite: Li (20.25, 17.8, 17.75) [0.997, 0.8762, 0.8741]\n", + " PeriodicSite: Li (7.513, 10.03, 5.935) [0.3699, 0.4936, 0.2922]\n", + " PeriodicSite: Li (9.233, 5.734, 17.71) [0.4546, 0.2823, 0.8717]\n", + " PeriodicSite: Li (8.071, 20.25, 7.541) [0.3973, 0.997, 0.3712]\n", + " PeriodicSite: Li (7.074, 18.71, 15.32) [0.3483, 0.9209, 0.7543]\n", + " PeriodicSite: Li (18.57, 9.748, 9.426) [0.9141, 0.4799, 0.464]\n", + " PeriodicSite: Li (17.97, 5.262, 17.65) [0.8845, 0.2591, 0.8692]\n", + " PeriodicSite: Li (18.18, 19.66, 7.925) [0.8951, 0.968, 0.3902]\n", + " PeriodicSite: Li (18.26, 15.47, 16.64) [0.8987, 0.7616, 0.8192]\n", + " PeriodicSite: Li (6.84, 5.319, 8.344) [0.3367, 0.2619, 0.4108]\n", + " PeriodicSite: Li (6.017, 5.333, 18.5) [0.2962, 0.2626, 0.9108]\n", + " PeriodicSite: Li (8.813, 18.34, 9.414) [0.4339, 0.9029, 0.4635]\n", + " PeriodicSite: Li (11.27, 13.31, 16.06) [0.555, 0.6551, 0.7908]\n", + " PeriodicSite: Li (19.94, 7.91, 7.577) [0.9817, 0.3894, 0.373]\n", + " PeriodicSite: Li (19.31, 7.208, 16.07) [0.9505, 0.3549, 0.7913]\n", + " PeriodicSite: Li (17.03, 17.29, 9.988) [0.8383, 0.8513, 0.4917]\n", + " PeriodicSite: Li (16.68, 16.93, 19.72) [0.8213, 0.8333, 0.9709]\n", + " PeriodicSite: Li (8.898, 8.15, 9.696) [0.438, 0.4013, 0.4773]\n", + " PeriodicSite: Li (5.922, 7.291, 20.09) [0.2916, 0.3589, 0.9891]\n", + " PeriodicSite: Li (5.597, 17.3, 9.138) [0.2755, 0.8518, 0.4499]\n", + " PeriodicSite: Li (7.7, 15.23, 2.844) [0.3791, 0.7499, 0.14]\n", + " PeriodicSite: Li (15.4, 6.744, 8.251) [0.7581, 0.332, 0.4062]\n", + " PeriodicSite: Li (19.01, 8.03, 20.31) [0.9361, 0.3953, 0.9997]\n", + " PeriodicSite: Li (15.28, 18.09, 7.042) [0.7522, 0.8908, 0.3467]\n", + " PeriodicSite: Li (16.06, 18.21, 16.05) [0.7908, 0.8965, 0.7904]\n", + " PeriodicSite: Li (6.739, 5.077, 11.82) [0.3317, 0.25, 0.5821]\n", + " PeriodicSite: Li (8.243, 9.727, 18.06) [0.4058, 0.4789, 0.8892]\n", + " PeriodicSite: Li (8.933, 17.77, 5.865) [0.4398, 0.8747, 0.2887]\n", + " PeriodicSite: Li (10.18, 18.6, 1.974) [0.501, 0.9159, 0.09718]\n", + " PeriodicSite: Li (17.11, 8.123, 4.97) [0.8424, 0.3999, 0.2447]\n", + " PeriodicSite: Li (15.32, 6.665, 18.44) [0.7541, 0.3281, 0.9079]\n", + " PeriodicSite: Li (19.53, 16.78, 7.219) [0.9613, 0.8259, 0.3554]\n", + " PeriodicSite: Li (18.2, 0.3786, 1.133) [0.8962, 0.01863, 0.0558]\n", + " PeriodicSite: Li (2.94, 9.607, 4.22) [0.1447, 0.473, 0.2077]\n", + " PeriodicSite: Li (8.823, 7.414, 19.79) [0.4344, 0.365, 0.9743]\n", + " PeriodicSite: Li (7.459, 15.65, 7.396) [0.3672, 0.7706, 0.3641]\n", + " PeriodicSite: Li (6.965, 0.2555, 17.41) [0.3429, 0.01258, 0.857]\n", + " PeriodicSite: Li (18.14, 5.578, 6.849) [0.8932, 0.2746, 0.3372]\n", + " PeriodicSite: Li (17.07, 12.46, 15.08) [0.8403, 0.6134, 0.7422]\n", + " PeriodicSite: Li (1.775, 15.29, 3.449) [0.08737, 0.7529, 0.1698]\n", + " PeriodicSite: Li (14.08, 0.2412, 13.09) [0.6932, 0.01187, 0.6444]\n", + " PeriodicSite: Cl (7.091, 12.68, 13.12) [0.3491, 0.6243, 0.6459]\n", + " PeriodicSite: Cl (2.449, 12.91, 18.02) [0.1206, 0.6354, 0.8873]\n", + " PeriodicSite: Cl (12.54, 17.33, 12.59) [0.6175, 0.8533, 0.6198]\n", + " PeriodicSite: Cl (17.71, 7.31, 17.96) [0.872, 0.3599, 0.8844]\n", + " PeriodicSite: Cl (6.808, 2.216, 2.217) [0.3352, 0.1091, 0.1092]\n", + " PeriodicSite: Cl (7.56, 7.965, 7.52) [0.3722, 0.3921, 0.3702]\n", + " PeriodicSite: Cl (12.6, 12.7, 7.671) [0.6204, 0.6253, 0.3776]\n", + " PeriodicSite: Cl (2.447, 8.008, 2.854) [0.1205, 0.3942, 0.1405]\n", + " PeriodicSite: Cl (2.566, 7.984, 13.1) [0.1263, 0.3931, 0.6447]\n", + " PeriodicSite: Cl (12.71, 12.41, 17.52) [0.6258, 0.6109, 0.8623]\n", + " PeriodicSite: Cl (17.92, 17.73, 17.75) [0.8822, 0.8728, 0.8737]\n", + " PeriodicSite: Cl (2.569, 2.452, 7.478) [0.1265, 0.1207, 0.3682]\n", + " PeriodicSite: Cl (12.8, 2.398, 17.7) [0.63, 0.118, 0.8715]\n", + " PeriodicSite: Cl (12.5, 7.63, 2.434) [0.6152, 0.3756, 0.1198]\n", + " PeriodicSite: Cl (17.56, 2.546, 12.79) [0.8647, 0.1253, 0.6298]\n", + " PeriodicSite: Cl (7.423, 17.72, 17.58) [0.3654, 0.8723, 0.8656]\n", + " PeriodicSite: Cl (0.02867, 20.29, 0.2794) [0.001402, 0.9989, 0.01376]\n", + " PeriodicSite: Cl (0.2055, 20.28, 10.15) [0.01011, 0.9985, 0.4995]\n", + " PeriodicSite: Cl (0.1426, 10.2, 19.98) [0.007023, 0.5023, 0.9838]\n", + " PeriodicSite: Cl (0.2232, 10.67, 10.14) [0.01099, 0.5251, 0.4993]\n", + " PeriodicSite: Cl (9.883, 20.24, 20.13) [0.4865, 0.9964, 0.9911]\n", + " PeriodicSite: Cl (9.889, 20.3, 9.255) [0.4868, 0.9993, 0.4557]\n", + " PeriodicSite: Cl (10.21, 10.3, 20.06) [0.5029, 0.5071, 0.9876]\n", + " PeriodicSite: Cl (10.46, 10.08, 9.814) [0.5149, 0.4964, 0.4831]\n", + " PeriodicSite: Cl (19.88, 5.849, 5.145) [0.9785, 0.2879, 0.2533]\n", + " PeriodicSite: Cl (0.1858, 5.209, 15.41) [0.009148, 0.2564, 0.7588]\n", + " PeriodicSite: Cl (0.1326, 15.4, 5.231) [0.006521, 0.7579, 0.2575]\n", + " PeriodicSite: Cl (20.27, 15.18, 15.4) [0.9978, 0.7471, 0.7579]\n", + " PeriodicSite: Cl (10.46, 5.43, 4.949) [0.515, 0.2673, 0.2436]\n", + " PeriodicSite: Cl (10.18, 5.147, 14.77) [0.5013, 0.2534, 0.7271]\n", + " PeriodicSite: Cl (10.01, 15.46, 4.685) [0.493, 0.761, 0.2307]\n", + " PeriodicSite: Cl (10.2, 15.02, 15.16) [0.5021, 0.7395, 0.7465]\n", + " PeriodicSite: S (4.809, 0.1839, 4.836) [0.2368, 0.009054, 0.2381]\n", + " PeriodicSite: S (5.274, 0.346, 15.14) [0.2597, 0.01703, 0.7454]\n", + " PeriodicSite: S (5.17, 10.37, 5.072) [0.2545, 0.5105, 0.2497]\n", + " PeriodicSite: S (5.288, 10.16, 15.4) [0.2604, 0.5, 0.7582]\n", + " PeriodicSite: S (15.06, 20.23, 5.352) [0.7415, 0.9959, 0.2635]\n", + " PeriodicSite: S (15.34, 20.18, 15.11) [0.7554, 0.9936, 0.744]\n", + " PeriodicSite: S (15.66, 10.3, 5.081) [0.7707, 0.5073, 0.2502]\n", + " PeriodicSite: S (15.42, 10.33, 14.83) [0.7589, 0.5087, 0.7303]\n", + " PeriodicSite: S (5.231, 5.06, 0.3918) [0.2575, 0.2491, 0.01929]\n", + " PeriodicSite: S (5.0, 5.103, 10.37) [0.2462, 0.2512, 0.5106]\n", + " PeriodicSite: S (4.631, 15.31, 20.17) [0.228, 0.7536, 0.9932]\n", + " PeriodicSite: S (4.962, 15.31, 10.31) [0.2443, 0.7537, 0.5075]\n", + " PeriodicSite: S (15.38, 4.922, 0.0641) [0.7572, 0.2423, 0.00316]\n", + " PeriodicSite: S (15.19, 4.893, 10.25) [0.748, 0.2409, 0.5047]\n", + " PeriodicSite: S (14.99, 15.37, 0.004095) [0.7382, 0.7565, 0.0002069]\n", + " PeriodicSite: S (15.4, 15.22, 10.28) [0.758, 0.7493, 0.5062]\n", + " PeriodicSite: S (8.807, 4.027, 8.868) [0.4336, 0.1982, 0.4366]\n", + " PeriodicSite: S (9.064, 3.686, 19.35) [0.4462, 0.1815, 0.9526]\n", + " PeriodicSite: S (8.778, 14.04, 8.889) [0.4322, 0.691, 0.4376]\n", + " PeriodicSite: S (8.983, 14.09, 18.83) [0.4422, 0.6939, 0.927]\n", + " PeriodicSite: S (18.86, 3.965, 8.957) [0.9283, 0.1952, 0.441]\n", + " PeriodicSite: S (19.62, 4.034, 19.16) [0.9658, 0.1986, 0.9433]\n", + " PeriodicSite: S (18.89, 14.4, 9.484) [0.9301, 0.7088, 0.4669]\n", + " PeriodicSite: S (19.24, 13.88, 19.16) [0.9474, 0.6833, 0.9431]\n", + " PeriodicSite: S (3.412, 1.201, 0.941) [0.168, 0.05912, 0.04633]\n", + " PeriodicSite: S (3.612, 0.9782, 11.55) [0.1778, 0.04816, 0.5684]\n", + " PeriodicSite: S (3.799, 11.22, 1.031) [0.187, 0.5523, 0.05077]\n", + " PeriodicSite: S (3.941, 11.21, 11.35) [0.194, 0.5519, 0.5589]\n", + " PeriodicSite: S (14.13, 1.369, 1.061) [0.6954, 0.06741, 0.05226]\n", + " PeriodicSite: S (14.07, 1.443, 11.19) [0.6926, 0.07102, 0.5509]\n", + " PeriodicSite: S (13.99, 11.16, 1.273) [0.6888, 0.5494, 0.06266]\n", + " PeriodicSite: S (14.29, 11.08, 11.37) [0.7036, 0.5452, 0.5599]\n", + " PeriodicSite: S (5.766, 1.237, 8.996) [0.2839, 0.0609, 0.4429]\n", + " PeriodicSite: S (5.834, 1.556, 19.15) [0.2872, 0.0766, 0.9429]\n", + " PeriodicSite: S (6.602, 11.41, 9.181) [0.325, 0.5617, 0.452]\n", + " PeriodicSite: S (6.312, 11.38, 18.93) [0.3107, 0.5605, 0.9322]\n", + " PeriodicSite: S (16.68, 0.8813, 9.356) [0.821, 0.04338, 0.4606]\n", + " PeriodicSite: S (16.78, 1.049, 19.24) [0.826, 0.05166, 0.9473]\n", + " PeriodicSite: S (16.45, 11.39, 8.833) [0.8098, 0.5608, 0.4349]\n", + " PeriodicSite: S (16.23, 11.37, 18.92) [0.7989, 0.56, 0.9314]\n", + " PeriodicSite: S (1.304, 4.133, 1.516) [0.06421, 0.2035, 0.07461]\n", + " PeriodicSite: S (1.152, 3.726, 10.91) [0.05672, 0.1835, 0.5369]\n", + " PeriodicSite: S (1.172, 13.93, 1.26) [0.05772, 0.6859, 0.06202]\n", + " PeriodicSite: S (0.9772, 14.16, 11.63) [0.0481, 0.6973, 0.5728]\n", + " PeriodicSite: S (11.59, 4.151, 1.45) [0.5706, 0.2043, 0.07139]\n", + " PeriodicSite: S (11.1, 3.696, 11.36) [0.5466, 0.1819, 0.5591]\n", + " PeriodicSite: S (11.32, 13.95, 1.049) [0.5572, 0.6867, 0.05166]\n", + " PeriodicSite: S (11.26, 13.61, 11.32) [0.5543, 0.6698, 0.5571]\n", + " PeriodicSite: S (2.482, 2.361, 17.74) [0.1222, 0.1162, 0.8732]\n", + " PeriodicSite: S (3.046, 12.8, 7.846) [0.15, 0.6301, 0.3863]\n", + " PeriodicSite: S (12.76, 2.665, 7.898) [0.6283, 0.1312, 0.3888]\n", + " PeriodicSite: S (9.133, 8.945, 4.13) [0.4496, 0.4404, 0.2033]\n", + " PeriodicSite: S (9.466, 8.825, 13.86) [0.466, 0.4345, 0.6822]\n", + " PeriodicSite: S (8.827, 19.16, 3.738) [0.4346, 0.9435, 0.1841]\n", + " PeriodicSite: S (8.833, 19.45, 13.96) [0.4348, 0.9573, 0.6874]\n", + " PeriodicSite: S (18.99, 9.173, 3.876) [0.9348, 0.4516, 0.1908]\n", + " PeriodicSite: S (19.4, 8.872, 14.37) [0.9549, 0.4368, 0.7073]\n", + " PeriodicSite: S (18.95, 18.9, 3.862) [0.9327, 0.9305, 0.1902]\n", + " PeriodicSite: S (18.74, 19.28, 13.9) [0.9225, 0.949, 0.6844]\n", + " PeriodicSite: S (4.033, 6.305, 6.664) [0.1985, 0.3104, 0.3281]\n", + " PeriodicSite: S (3.675, 6.242, 16.74) [0.1809, 0.3073, 0.8242]\n", + " PeriodicSite: S (3.872, 16.67, 6.266) [0.1906, 0.8206, 0.3085]\n", + " PeriodicSite: S (3.359, 16.31, 16.05) [0.1654, 0.8031, 0.7901]\n", + " PeriodicSite: S (13.99, 6.351, 6.025) [0.6885, 0.3127, 0.2966]\n", + " PeriodicSite: S (14.25, 6.492, 16.5) [0.7015, 0.3196, 0.8124]\n", + " PeriodicSite: S (13.82, 16.35, 6.349) [0.6804, 0.8048, 0.3126]\n", + " PeriodicSite: S (14.06, 16.37, 16.56) [0.6921, 0.8057, 0.8151]\n", + " PeriodicSite: S (6.468, 6.373, 4.437) [0.3184, 0.3137, 0.2185]\n", + " PeriodicSite: S (6.181, 6.464, 14.2) [0.3043, 0.3182, 0.6992]\n", + " PeriodicSite: S (6.053, 16.56, 3.678) [0.298, 0.8153, 0.1811]\n", + " PeriodicSite: S (6.274, 16.41, 14.32) [0.3089, 0.8077, 0.7052]\n", + " PeriodicSite: S (16.22, 5.947, 3.738) [0.7985, 0.2928, 0.184]\n", + " PeriodicSite: S (16.8, 5.976, 14.6) [0.8269, 0.2942, 0.7189]\n", + " PeriodicSite: S (16.39, 16.4, 3.829) [0.8067, 0.8072, 0.1885]\n", + " PeriodicSite: S (16.64, 16.19, 14.47) [0.819, 0.7969, 0.7122]\n", + " PeriodicSite: S (1.404, 9.012, 6.151) [0.0691, 0.4437, 0.3028]\n", + " PeriodicSite: S (1.498, 9.264, 16.67) [0.07375, 0.4561, 0.8207]\n", + " PeriodicSite: S (0.6061, 19.01, 6.726) [0.02983, 0.9357, 0.3311]\n", + " PeriodicSite: S (0.9959, 19.15, 16.15) [0.04903, 0.9426, 0.7952]\n", + " PeriodicSite: S (11.72, 9.338, 6.084) [0.5771, 0.4597, 0.2995]\n", + " PeriodicSite: S (11.89, 9.089, 16.36) [0.5854, 0.4474, 0.8056]\n", + " PeriodicSite: S (10.98, 19.44, 6.213) [0.5404, 0.9571, 0.3059]\n", + " PeriodicSite: S (11.28, 19.31, 16.25) [0.5551, 0.9505, 0.7998]\n", + " PeriodicSite: S (2.356, 17.55, 2.527) [0.116, 0.8642, 0.1244]\n", + " PeriodicSite: S (2.197, 17.44, 12.65) [0.1082, 0.8585, 0.6228]\n", + " PeriodicSite: S (12.8, 7.526, 12.71) [0.6301, 0.3705, 0.6259]\n", + " PeriodicSite: S (12.65, 18.05, 2.401) [0.6225, 0.8885, 0.1182]\n", + " PeriodicSite: S (3.954, 4.276, 3.871) [0.1947, 0.2105, 0.1906]\n", + " PeriodicSite: S (3.63, 4.096, 14.05) [0.1787, 0.2016, 0.6916]\n", + " PeriodicSite: S (3.932, 14.05, 3.79) [0.1936, 0.6916, 0.1866]\n", + " PeriodicSite: S (3.879, 13.94, 13.99) [0.1909, 0.6865, 0.6887]\n", + " PeriodicSite: S (14.09, 3.651, 4.047) [0.6935, 0.1798, 0.1992]\n", + " PeriodicSite: S (14.17, 3.787, 14.41) [0.6978, 0.1864, 0.7093]\n", + " PeriodicSite: S (13.91, 14.12, 3.978) [0.6847, 0.695, 0.1959]\n", + " PeriodicSite: S (14.04, 13.86, 14.12) [0.691, 0.6823, 0.695]\n", + " PeriodicSite: S (8.755, 1.558, 5.908) [0.431, 0.0767, 0.2909]\n", + " PeriodicSite: S (8.993, 1.483, 16.6) [0.4428, 0.07299, 0.8174]\n", + " PeriodicSite: S (9.313, 11.78, 5.944) [0.4585, 0.5799, 0.2926]\n", + " PeriodicSite: S (9.378, 11.21, 16.56) [0.4617, 0.5521, 0.8151]\n", + " PeriodicSite: S (18.6, 0.9385, 6.208) [0.9156, 0.0462, 0.3056]\n", + " PeriodicSite: S (19.19, 1.074, 16.45) [0.9448, 0.05288, 0.81]\n", + " PeriodicSite: S (19.42, 11.45, 6.336) [0.9558, 0.5638, 0.3119]\n", + " PeriodicSite: S (19.15, 11.43, 16.43) [0.9429, 0.5629, 0.8087]\n", + " PeriodicSite: S (0.8837, 0.7935, 4.18) [0.04351, 0.03906, 0.2058]\n", + " PeriodicSite: S (0.9466, 1.279, 13.79) [0.0466, 0.06297, 0.6788]\n", + " PeriodicSite: S (1.319, 11.49, 3.974) [0.06491, 0.5657, 0.1956]\n", + " PeriodicSite: S (1.177, 11.23, 13.87) [0.05796, 0.5526, 0.6826]\n", + " PeriodicSite: S (11.15, 1.211, 3.72) [0.5488, 0.05963, 0.1831]\n", + " PeriodicSite: S (11.09, 1.522, 14.15) [0.5459, 0.07495, 0.6965]\n", + " PeriodicSite: S (11.24, 11.22, 3.217) [0.5533, 0.5524, 0.1584]\n", + " PeriodicSite: S (11.56, 11.54, 14.02) [0.569, 0.5683, 0.6902]\n", + " PeriodicSite: S (6.155, 3.853, 6.532) [0.303, 0.1897, 0.3216]\n", + " PeriodicSite: S (6.101, 4.106, 16.39) [0.3003, 0.2021, 0.807]\n", + " PeriodicSite: S (6.399, 14.2, 6.021) [0.315, 0.6989, 0.2964]\n", + " PeriodicSite: S (5.929, 14.01, 16.7) [0.2919, 0.6899, 0.822]\n", + " PeriodicSite: S (16.4, 4.002, 6.514) [0.8072, 0.197, 0.3207]\n", + " PeriodicSite: S (16.09, 3.623, 17.04) [0.7923, 0.1784, 0.8387]\n", + " PeriodicSite: S (16.21, 14.03, 6.108) [0.7981, 0.6909, 0.3007]\n", + " PeriodicSite: S (16.18, 13.77, 16.7) [0.7964, 0.6779, 0.8221]\n", + " PeriodicSite: S (7.19, 2.524, 12.61) [0.354, 0.1242, 0.6207]\n", + " PeriodicSite: S (7.818, 12.77, 2.268) [0.3849, 0.6288, 0.1116]\n", + " PeriodicSite: S (17.57, 2.618, 2.345) [0.865, 0.1289, 0.1155]\n", + " PeriodicSite: S (18.08, 12.68, 2.57) [0.89, 0.6244, 0.1265]\n", + " PeriodicSite: S (17.7, 12.97, 12.97) [0.8712, 0.6384, 0.6387]\n", + " PeriodicSite: S (4.197, 9.128, 8.695) [0.2066, 0.4494, 0.4281]\n", + " PeriodicSite: S (4.182, 8.715, 19.25) [0.2059, 0.429, 0.9479]\n", + " PeriodicSite: S (3.549, 18.93, 9.124) [0.1747, 0.9318, 0.4492]\n", + " PeriodicSite: S (3.768, 19.07, 18.9) [0.1855, 0.9389, 0.9303]\n", + " PeriodicSite: S (14.09, 8.911, 8.699) [0.6939, 0.4387, 0.4283]\n", + " PeriodicSite: S (14.04, 8.745, 19.2) [0.6913, 0.4305, 0.945]\n", + " PeriodicSite: S (13.94, 19.21, 8.769) [0.6862, 0.9458, 0.4317]\n", + " PeriodicSite: S (13.98, 19.25, 19.32) [0.6885, 0.9479, 0.9512]\n", + " PeriodicSite: S (8.782, 5.947, 1.438) [0.4324, 0.2928, 0.07082]\n", + " PeriodicSite: S (8.855, 6.262, 11.41) [0.4359, 0.3083, 0.5619]\n", + " PeriodicSite: S (9.063, 16.36, 1.12) [0.4462, 0.8053, 0.05513]\n", + " PeriodicSite: S (9.128, 16.45, 11.33) [0.4494, 0.8098, 0.5576]\n", + " PeriodicSite: S (19.02, 6.152, 1.504) [0.9362, 0.3028, 0.07404]\n", + " PeriodicSite: S (19.22, 6.35, 11.31) [0.946, 0.3126, 0.5568]\n", + " PeriodicSite: S (18.91, 16.37, 1.148) [0.9311, 0.8061, 0.05654]\n", + " PeriodicSite: S (19.21, 16.69, 11.91) [0.9458, 0.8219, 0.5863]\n", + " PeriodicSite: S (1.007, 6.289, 8.741) [0.04957, 0.3096, 0.4303]\n", + " PeriodicSite: S (1.527, 6.389, 19.72) [0.07516, 0.3145, 0.9711]\n", + " PeriodicSite: S (0.9276, 16.48, 9.074) [0.04566, 0.8115, 0.4467]\n", + " PeriodicSite: S (1.151, 16.33, 19.16) [0.05668, 0.804, 0.9432]\n", + " PeriodicSite: S (11.37, 6.149, 9.107) [0.5598, 0.3027, 0.4484]\n", + " PeriodicSite: S (11.06, 6.25, 19.13) [0.5446, 0.3077, 0.942]\n", + " PeriodicSite: S (11.52, 16.08, 9.099) [0.5673, 0.7914, 0.4479]\n", + " PeriodicSite: S (11.23, 16.59, 18.87) [0.5529, 0.8166, 0.9291]\n", + " PeriodicSite: S (6.701, 9.175, 1.151) [0.3299, 0.4517, 0.05667]\n", + " PeriodicSite: S (6.382, 8.777, 11.37) [0.3142, 0.4321, 0.5599]\n", + " PeriodicSite: S (6.019, 19.21, 1.208) [0.2963, 0.9456, 0.05946]\n", + " PeriodicSite: S (6.178, 18.97, 11.13) [0.3041, 0.934, 0.5477]\n", + " PeriodicSite: S (16.34, 9.065, 1.266) [0.8043, 0.4463, 0.06233]\n", + " PeriodicSite: S (16.71, 8.778, 10.96) [0.8224, 0.4321, 0.5398]\n", + " PeriodicSite: S (16.34, 19.18, 1.474) [0.8042, 0.944, 0.07259]\n", + " PeriodicSite: S (15.72, 18.9, 11.66) [0.7738, 0.9304, 0.5741]\n", + " PeriodicSite: S (7.446, 7.297, 17.62) [0.3666, 0.3592, 0.8675]\n", + " PeriodicSite: S (7.31, 17.9, 7.524) [0.3599, 0.8811, 0.3704]\n", + " PeriodicSite: S (17.36, 7.64, 7.325) [0.8546, 0.3761, 0.3606]\n", + " PeriodicSite: S (17.38, 17.65, 7.431) [0.8554, 0.8689, 0.3658]\n", + " PeriodicSite: P (4.788, 0.004713, 20.17) [0.2357, 0.0002314, 0.9928]\n", + " PeriodicSite: P (4.708, 20.14, 10.21) [0.2318, 0.9913, 0.5028]\n", + " PeriodicSite: P (5.284, 10.17, 20.27) [0.2601, 0.5008, 0.9981]\n", + " PeriodicSite: P (5.275, 10.14, 10.18) [0.2597, 0.499, 0.501]\n", + " PeriodicSite: P (15.34, 0.02554, 0.01381) [0.7554, 0.001251, 0.0006843]\n", + " PeriodicSite: P (15.1, 20.14, 10.19) [0.7435, 0.9915, 0.5019]\n", + " PeriodicSite: P (15.19, 10.13, 20.25) [0.7478, 0.4989, 0.9967]\n", + " PeriodicSite: P (15.38, 9.946, 10.06) [0.757, 0.4897, 0.4951]\n", + " PeriodicSite: P (5.101, 5.126, 5.299) [0.2512, 0.2523, 0.2609]\n", + " PeriodicSite: P (4.916, 5.248, 15.35) [0.242, 0.2583, 0.7559]\n", + " PeriodicSite: P (5.05, 15.4, 5.015) [0.2486, 0.7581, 0.2469]\n", + " PeriodicSite: P (4.941, 15.17, 15.25) [0.2433, 0.747, 0.7509]\n", + " PeriodicSite: P (15.08, 5.024, 5.133) [0.7426, 0.2473, 0.2527]\n", + " PeriodicSite: P (15.35, 4.947, 15.67) [0.7555, 0.2435, 0.7712]\n", + " PeriodicSite: P (14.99, 15.37, 5.061) [0.738, 0.7566, 0.2491]\n", + " PeriodicSite: P (15.18, 15.13, 15.5) [0.7474, 0.7451, 0.763]\n", + " PeriodicSite: P (19.87, 20.06, 5.257) [0.978, 0.9876, 0.2588]\n", + " PeriodicSite: P (20.06, 0.07998, 15.02) [0.9874, 0.003929, 0.7394]\n", + " PeriodicSite: P (0.02714, 10.19, 4.982) [0.001333, 0.5015, 0.2453]\n", + " PeriodicSite: P (0.2682, 10.17, 15.27) [0.0132, 0.5005, 0.752]\n", + " PeriodicSite: P (9.9, 0.1594, 4.87) [0.4874, 0.007844, 0.2398]\n", + " PeriodicSite: P (10.02, 0.2818, 15.27) [0.4934, 0.01387, 0.7519]\n", + " PeriodicSite: P (10.41, 10.35, 4.869) [0.5126, 0.5093, 0.2397]\n", + " PeriodicSite: P (10.51, 10.33, 15.17) [0.5173, 0.5088, 0.7471]\n", + " PeriodicSite: P (0.1314, 5.249, 0.187) [0.006464, 0.2584, 0.009205]\n", + " PeriodicSite: P (20.22, 5.13, 9.948) [0.9956, 0.2525, 0.4897]\n", + " PeriodicSite: P (20.28, 15.08, 0.1279) [0.9982, 0.7423, 0.006302]\n", + " PeriodicSite: P (20.15, 15.37, 10.56) [0.9921, 0.7569, 0.52]\n", + " PeriodicSite: P (10.16, 4.944, 0.1995) [0.4999, 0.2434, 0.009825]\n", + " PeriodicSite: P (10.01, 5.028, 10.2) [0.4929, 0.2475, 0.5023]\n", + " PeriodicSite: P (10.2, 15.31, 20.14) [0.502, 0.7537, 0.9915]\n", + " PeriodicSite: P (10.16, 15.1, 10.27) [0.5004, 0.7435, 0.5058],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.335, 5.068, 5.929) [0.115, 0.2495, 0.2919]\n", + " PeriodicSite: Li (1.741, 3.196, 15.58) [0.08569, 0.1574, 0.7672]\n", + " PeriodicSite: Li (1.962, 12.69, 9.935) [0.09658, 0.6245, 0.4891]\n", + " PeriodicSite: Li (0.7682, 14.5, 17.33) [0.03782, 0.7139, 0.8533]\n", + " PeriodicSite: Li (14.15, 0.7287, 7.657) [0.6968, 0.03587, 0.377]\n", + " PeriodicSite: Li (11.93, 3.609, 15.46) [0.5871, 0.1777, 0.7611]\n", + " PeriodicSite: Li (17.52, 12.01, 4.617) [0.8624, 0.5912, 0.2273]\n", + " PeriodicSite: Li (15.94, 7.816, 15.34) [0.7848, 0.3848, 0.7553]\n", + " PeriodicSite: Li (3.395, 4.349, 8.697) [0.1672, 0.2141, 0.4282]\n", + " PeriodicSite: Li (3.021, 0.371, 16.46) [0.1487, 0.01826, 0.8103]\n", + " PeriodicSite: Li (5.609, 8.126, 6.944) [0.2761, 0.4, 0.3419]\n", + " PeriodicSite: Li (7.437, 10.47, 13.53) [0.3661, 0.5154, 0.6663]\n", + " PeriodicSite: Li (11.75, 4.727, 7.187) [0.5787, 0.2327, 0.3538]\n", + " PeriodicSite: Li (13.31, 6.097, 0.7478) [0.655, 0.3001, 0.03682]\n", + " PeriodicSite: Li (11.91, 9.919, 12.09) [0.5861, 0.4883, 0.5953]\n", + " PeriodicSite: Li (9.954, 18.62, 18.16) [0.4901, 0.9167, 0.8942]\n", + " PeriodicSite: Li (4.819, 1.277, 6.952) [0.2373, 0.06286, 0.3423]\n", + " PeriodicSite: Li (4.872, 2.061, 17.06) [0.2399, 0.1015, 0.8401]\n", + " PeriodicSite: Li (5.212, 10.63, 7.575) [0.2566, 0.5234, 0.3729]\n", + " PeriodicSite: Li (5.677, 12.06, 14.75) [0.2795, 0.5939, 0.726]\n", + " PeriodicSite: Li (12.01, 1.207, 10.03) [0.5914, 0.0594, 0.4936]\n", + " PeriodicSite: Li (10.55, 1.425, 18.41) [0.5194, 0.07015, 0.9065]\n", + " PeriodicSite: Li (14.03, 15.12, 8.36) [0.6906, 0.7445, 0.4116]\n", + " PeriodicSite: Li (11.86, 10.49, 18.84) [0.584, 0.5162, 0.9275]\n", + " PeriodicSite: Li (0.1572, 2.695, 7.28) [0.00774, 0.1327, 0.3584]\n", + " PeriodicSite: Li (1.168, 2.343, 19.71) [0.0575, 0.1153, 0.9705]\n", + " PeriodicSite: Li (0.9332, 12.85, 6.014) [0.04594, 0.6325, 0.2961]\n", + " PeriodicSite: Li (3.496, 13.46, 0.2007) [0.1721, 0.6625, 0.009883]\n", + " PeriodicSite: Li (12.95, 1.633, 5.468) [0.6374, 0.08038, 0.2692]\n", + " PeriodicSite: Li (13.44, 0.3912, 17.1) [0.6615, 0.01926, 0.8417]\n", + " PeriodicSite: Li (11.86, 10.09, 7.983) [0.584, 0.4968, 0.393]\n", + " PeriodicSite: Li (12.6, 15.1, 18.15) [0.6204, 0.7433, 0.8936]\n", + " PeriodicSite: Li (7.065, 0.966, 4.375) [0.3478, 0.04756, 0.2154]\n", + " PeriodicSite: Li (1.885, 19.96, 2.32) [0.09281, 0.9829, 0.1142]\n", + " PeriodicSite: Li (4.62, 12.92, 9.413) [0.2275, 0.6362, 0.4634]\n", + " PeriodicSite: Li (0.1239, 17.19, 13.91) [0.006097, 0.8464, 0.6847]\n", + " PeriodicSite: Li (14.72, 3.96, 7.973) [0.7248, 0.1949, 0.3925]\n", + " PeriodicSite: Li (14.17, 3.833, 18.74) [0.6975, 0.1887, 0.9228]\n", + " PeriodicSite: Li (16.81, 15.73, 8.28) [0.8277, 0.7742, 0.4076]\n", + " PeriodicSite: Li (13.87, 13.85, 1.149) [0.6828, 0.6818, 0.05656]\n", + " PeriodicSite: Li (4.144, 1.876, 3.377) [0.204, 0.09233, 0.1663]\n", + " PeriodicSite: Li (4.324, 3.404, 19.19) [0.2129, 0.1676, 0.9445]\n", + " PeriodicSite: Li (4.226, 12.37, 5.775) [0.208, 0.6088, 0.2843]\n", + " PeriodicSite: Li (20.01, 12.01, 2.374) [0.9851, 0.5914, 0.1169]\n", + " PeriodicSite: Li (10.36, 1.862, 7.618) [0.51, 0.09166, 0.375]\n", + " PeriodicSite: Li (16.93, 0.05325, 17.38) [0.8334, 0.002615, 0.8556]\n", + " PeriodicSite: Li (14.81, 12.32, 6.036) [0.7289, 0.6065, 0.2972]\n", + " PeriodicSite: Li (14.82, 11.4, 16.87) [0.7297, 0.5613, 0.8304]\n", + " PeriodicSite: Li (4.513, 10.63, 17.5) [0.2222, 0.5234, 0.8615]\n", + " PeriodicSite: Li (2.085, 10.43, 8.13) [0.1026, 0.5135, 0.4002]\n", + " PeriodicSite: Li (3.032, 17.0, 20.23) [0.1493, 0.8368, 0.9959]\n", + " PeriodicSite: Li (2.041, 0.005213, 9.07) [0.1005, 0.0002564, 0.4465]\n", + " PeriodicSite: Li (12.37, 6.066, 4.401) [0.609, 0.2986, 0.2167]\n", + " PeriodicSite: Li (13.12, 9.492, 15.15) [0.6459, 0.4673, 0.7461]\n", + " PeriodicSite: Li (11.42, 14.55, 6.681) [0.5622, 0.7164, 0.3289]\n", + " PeriodicSite: Li (14.24, 18.34, 14.37) [0.7011, 0.9027, 0.7074]\n", + " PeriodicSite: Li (3.122, 5.715, 1.481) [0.1537, 0.2814, 0.07291]\n", + " PeriodicSite: Li (2.992, 5.03, 12.22) [0.1473, 0.2476, 0.6017]\n", + " PeriodicSite: Li (6.04, 17.34, 19.48) [0.2974, 0.8538, 0.9593]\n", + " PeriodicSite: Li (3.462, 18.5, 14.75) [0.1704, 0.9107, 0.7262]\n", + " PeriodicSite: Li (16.45, 6.608, 1.377) [0.8098, 0.3253, 0.06779]\n", + " PeriodicSite: Li (10.74, 7.407, 12.46) [0.5287, 0.3647, 0.6136]\n", + " PeriodicSite: Li (12.86, 18.47, 4.8) [0.633, 0.9091, 0.2363]\n", + " PeriodicSite: Li (10.87, 17.38, 14.68) [0.5349, 0.8558, 0.7227]\n", + " PeriodicSite: Li (2.026, 9.151, 0.9059) [0.09976, 0.4505, 0.0446]\n", + " PeriodicSite: Li (4.713, 7.069, 9.873) [0.232, 0.348, 0.4861]\n", + " PeriodicSite: Li (4.445, 16.28, 2.075) [0.2188, 0.8014, 0.1022]\n", + " PeriodicSite: Li (2.887, 16.45, 10.45) [0.1421, 0.81, 0.5143]\n", + " PeriodicSite: Li (12.01, 9.44, 1.476) [0.5912, 0.4647, 0.07265]\n", + " PeriodicSite: Li (12.37, 6.653, 14.8) [0.6091, 0.3275, 0.7284]\n", + " PeriodicSite: Li (12.09, 15.57, 3.07) [0.5954, 0.7666, 0.1512]\n", + " PeriodicSite: Li (13.49, 14.6, 12.01) [0.6641, 0.7186, 0.5911]\n", + " PeriodicSite: Li (0.6102, 6.925, 3.33) [0.03004, 0.3409, 0.164]\n", + " PeriodicSite: Li (17.24, 5.584, 10.37) [0.8486, 0.2749, 0.5106]\n", + " PeriodicSite: Li (2.094, 17.47, 4.616) [0.1031, 0.8598, 0.2273]\n", + " PeriodicSite: Li (0.4281, 18.21, 11.19) [0.02107, 0.8964, 0.5511]\n", + " PeriodicSite: Li (10.18, 6.803, 2.622) [0.5013, 0.3349, 0.1291]\n", + " PeriodicSite: Li (15.02, 8.637, 12.97) [0.7396, 0.4252, 0.6384]\n", + " PeriodicSite: Li (13.38, 17.01, 0.1093) [0.6587, 0.8373, 0.005384]\n", + " PeriodicSite: Li (8.072, 15.27, 16.86) [0.3974, 0.7517, 0.8301]\n", + " PeriodicSite: Li (5.735, 8.585, 3.451) [0.2824, 0.4226, 0.1699]\n", + " PeriodicSite: Li (1.122, 9.953, 12.27) [0.05523, 0.49, 0.6041]\n", + " PeriodicSite: Li (19.93, 18.14, 1.514) [0.9813, 0.8933, 0.07453]\n", + " PeriodicSite: Li (2.112, 20.15, 12.71) [0.1039, 0.9918, 0.6258]\n", + " PeriodicSite: Li (16.32, 11.07, 2.673) [0.8035, 0.5449, 0.1316]\n", + " PeriodicSite: Li (13.33, 7.182, 10.49) [0.6563, 0.3536, 0.5167]\n", + " PeriodicSite: Li (12.35, 19.89, 1.088) [0.6079, 0.9791, 0.05355]\n", + " PeriodicSite: Li (13.2, 17.12, 10.82) [0.6497, 0.8428, 0.5327]\n", + " PeriodicSite: Li (6.032, 4.784, 2.257) [0.297, 0.2355, 0.1111]\n", + " PeriodicSite: Li (5.067, 8.151, 13.38) [0.2494, 0.4013, 0.6588]\n", + " PeriodicSite: Li (4.508, 19.04, 2.981) [0.2219, 0.9373, 0.1468]\n", + " PeriodicSite: Li (2.823, 15.76, 13.57) [0.139, 0.7761, 0.6682]\n", + " PeriodicSite: Li (13.48, 9.887, 3.752) [0.6635, 0.4867, 0.1847]\n", + " PeriodicSite: Li (14.09, 5.316, 12.36) [0.6939, 0.2617, 0.6083]\n", + " PeriodicSite: Li (14.94, 17.16, 2.147) [0.7357, 0.8446, 0.1057]\n", + " PeriodicSite: Li (17.53, 2.766, 15.12) [0.8632, 0.1362, 0.7443]\n", + " PeriodicSite: Li (9.848, 3.169, 3.78) [0.4848, 0.156, 0.1861]\n", + " PeriodicSite: Li (9.5, 3.314, 13.24) [0.4677, 0.1631, 0.652]\n", + " PeriodicSite: Li (5.361, 12.53, 2.838) [0.2639, 0.6169, 0.1397]\n", + " PeriodicSite: Li (3.111, 10.12, 14.29) [0.1531, 0.4984, 0.7037]\n", + " PeriodicSite: Li (16.36, 1.669, 4.646) [0.8055, 0.08215, 0.2287]\n", + " PeriodicSite: Li (12.9, 4.062, 9.742) [0.6352, 0.2, 0.4796]\n", + " PeriodicSite: Li (18.16, 11.84, 0.2618) [0.8938, 0.5831, 0.0129]\n", + " PeriodicSite: Li (17.56, 9.934, 12.75) [0.8645, 0.4891, 0.6275]\n", + " PeriodicSite: Li (5.65, 18.22, 5.968) [0.2782, 0.897, 0.2938]\n", + " PeriodicSite: Li (7.237, 2.035, 15.03) [0.3563, 0.1002, 0.7399]\n", + " PeriodicSite: Li (9.367, 12.75, 0.4946) [0.4611, 0.6276, 0.02435]\n", + " PeriodicSite: Li (9.218, 14.89, 13.05) [0.4538, 0.7331, 0.6424]\n", + " PeriodicSite: Li (14.34, 19.58, 2.986) [0.7061, 0.964, 0.147]\n", + " PeriodicSite: Li (19.8, 1.881, 11.89) [0.9746, 0.09258, 0.5855]\n", + " PeriodicSite: Li (18.97, 14.93, 3.158) [0.9338, 0.7351, 0.1555]\n", + " PeriodicSite: Li (17.06, 15.12, 11.91) [0.84, 0.7444, 0.5864]\n", + " PeriodicSite: Li (8.674, 7.15, 5.646) [0.427, 0.352, 0.278]\n", + " PeriodicSite: Li (7.171, 20.1, 13.13) [0.353, 0.9896, 0.6465]\n", + " PeriodicSite: Li (10.02, 13.11, 3.441) [0.4932, 0.6452, 0.1694]\n", + " PeriodicSite: Li (5.263, 13.78, 12.04) [0.2591, 0.6785, 0.5927]\n", + " PeriodicSite: Li (19.6, 1.595, 2.421) [0.965, 0.0785, 0.1192]\n", + " PeriodicSite: Li (19.65, 5.14, 13.4) [0.9675, 0.2531, 0.6596]\n", + " PeriodicSite: Li (16.39, 14.7, 2.156) [0.8071, 0.7237, 0.1061]\n", + " PeriodicSite: Li (14.97, 11.93, 13.55) [0.7368, 0.5875, 0.6671]\n", + " PeriodicSite: Li (2.605, 0.598, 5.793) [0.1282, 0.02944, 0.2852]\n", + " PeriodicSite: Li (4.788, 1.549, 13.74) [0.2357, 0.07627, 0.6765]\n", + " PeriodicSite: Li (6.81, 14.4, 0.2095) [0.3353, 0.709, 0.01032]\n", + " PeriodicSite: Li (7.793, 7.556, 15.73) [0.3837, 0.372, 0.7746]\n", + " PeriodicSite: Li (18.2, 4.487, 3.335) [0.8961, 0.2209, 0.1642]\n", + " PeriodicSite: Li (17.07, 20.21, 13.79) [0.8402, 0.9951, 0.6791]\n", + " PeriodicSite: Li (16.08, 13.92, 19.2) [0.7919, 0.6855, 0.9452]\n", + " PeriodicSite: Li (19.44, 12.7, 11.08) [0.9569, 0.6251, 0.5453]\n", + " PeriodicSite: Li (7.298, 3.915, 0.2548) [0.3593, 0.1927, 0.01255]\n", + " PeriodicSite: Li (5.55, 2.934, 10.82) [0.2732, 0.1444, 0.5327]\n", + " PeriodicSite: Li (8.381, 10.49, 2.0) [0.4126, 0.5165, 0.09845]\n", + " PeriodicSite: Li (9.18, 11.71, 8.807) [0.4519, 0.5767, 0.4336]\n", + " PeriodicSite: Li (15.47, 3.543, 2.04) [0.7617, 0.1744, 0.1005]\n", + " PeriodicSite: Li (16.1, 2.733, 11.12) [0.7926, 0.1346, 0.5475]\n", + " PeriodicSite: Li (0.6547, 11.54, 18.9) [0.03223, 0.5682, 0.9306]\n", + " PeriodicSite: Li (19.5, 13.38, 14.05) [0.9599, 0.6589, 0.6919]\n", + " PeriodicSite: Li (7.809, 0.6518, 0.5967) [0.3844, 0.03209, 0.02938]\n", + " PeriodicSite: Li (8.152, 1.968, 10.84) [0.4014, 0.09686, 0.5339]\n", + " PeriodicSite: Li (7.53, 12.48, 4.75) [0.3707, 0.6142, 0.2338]\n", + " PeriodicSite: Li (5.189, 17.32, 12.31) [0.2555, 0.8528, 0.6061]\n", + " PeriodicSite: Li (17.26, 3.433, 0.2697) [0.8498, 0.169, 0.01328]\n", + " PeriodicSite: Li (1.983, 7.429, 14.84) [0.09765, 0.3657, 0.7308]\n", + " PeriodicSite: Li (4.334, 14.87, 7.677) [0.2134, 0.7323, 0.378]\n", + " PeriodicSite: Li (15.86, 13.03, 10.65) [0.7806, 0.6414, 0.5243]\n", + " PeriodicSite: Li (14.89, 8.448, 6.325) [0.733, 0.4159, 0.3114]\n", + " PeriodicSite: Li (5.948, 8.241, 16.89) [0.2928, 0.4057, 0.8314]\n", + " PeriodicSite: Li (7.069, 14.6, 10.42) [0.348, 0.7188, 0.5131]\n", + " PeriodicSite: Li (4.169, 14.41, 18.2) [0.2052, 0.7094, 0.8961]\n", + " PeriodicSite: Li (17.31, 10.28, 6.878) [0.8522, 0.5063, 0.3386]\n", + " PeriodicSite: Li (1.944, 5.117, 18.0) [0.09571, 0.2519, 0.8864]\n", + " PeriodicSite: Li (17.17, 18.1, 5.318) [0.8454, 0.8912, 0.2618]\n", + " PeriodicSite: Li (20.24, 18.54, 18.05) [0.9963, 0.9129, 0.8887]\n", + " PeriodicSite: Li (7.647, 10.09, 6.262) [0.3765, 0.4967, 0.3083]\n", + " PeriodicSite: Li (9.491, 5.636, 17.77) [0.4672, 0.2775, 0.8751]\n", + " PeriodicSite: Li (8.088, 19.97, 8.104) [0.3982, 0.9833, 0.399]\n", + " PeriodicSite: Li (6.394, 17.99, 15.63) [0.3148, 0.8856, 0.7693]\n", + " PeriodicSite: Li (18.24, 9.181, 9.247) [0.898, 0.452, 0.4553]\n", + " PeriodicSite: Li (17.67, 5.077, 18.04) [0.8698, 0.25, 0.8881]\n", + " PeriodicSite: Li (18.56, 20.11, 8.078) [0.9135, 0.9898, 0.3977]\n", + " PeriodicSite: Li (17.99, 15.86, 16.05) [0.8857, 0.7809, 0.79]\n", + " PeriodicSite: Li (7.029, 4.827, 9.081) [0.3461, 0.2377, 0.4471]\n", + " PeriodicSite: Li (5.958, 5.816, 18.35) [0.2933, 0.2863, 0.9034]\n", + " PeriodicSite: Li (9.536, 17.74, 8.897) [0.4695, 0.8736, 0.438]\n", + " PeriodicSite: Li (11.23, 13.12, 15.58) [0.5528, 0.6461, 0.7672]\n", + " PeriodicSite: Li (20.07, 7.605, 7.441) [0.9879, 0.3744, 0.3663]\n", + " PeriodicSite: Li (19.12, 7.225, 15.82) [0.9411, 0.3557, 0.7789]\n", + " PeriodicSite: Li (16.47, 17.64, 10.23) [0.8108, 0.8687, 0.5038]\n", + " PeriodicSite: Li (16.6, 17.02, 19.56) [0.8174, 0.838, 0.9628]\n", + " PeriodicSite: Li (8.473, 8.375, 9.943) [0.4171, 0.4123, 0.4895]\n", + " PeriodicSite: Li (6.303, 7.547, 19.9) [0.3103, 0.3716, 0.9799]\n", + " PeriodicSite: Li (5.891, 17.5, 9.397) [0.29, 0.8615, 0.4626]\n", + " PeriodicSite: Li (8.104, 15.1, 3.216) [0.399, 0.7434, 0.1583]\n", + " PeriodicSite: Li (15.6, 7.176, 9.064) [0.7678, 0.3533, 0.4462]\n", + " PeriodicSite: Li (19.58, 8.05, 20.07) [0.964, 0.3963, 0.9879]\n", + " PeriodicSite: Li (15.08, 18.65, 7.162) [0.7424, 0.9179, 0.3526]\n", + " PeriodicSite: Li (15.6, 18.2, 16.75) [0.7679, 0.8958, 0.8248]\n", + " PeriodicSite: Li (6.106, 4.64, 12.68) [0.3006, 0.2284, 0.6242]\n", + " PeriodicSite: Li (7.943, 10.05, 18.07) [0.391, 0.4946, 0.8895]\n", + " PeriodicSite: Li (8.976, 17.45, 5.617) [0.4419, 0.859, 0.2766]\n", + " PeriodicSite: Li (10.1, 18.59, 2.133) [0.4971, 0.9153, 0.105]\n", + " PeriodicSite: Li (17.39, 8.474, 4.998) [0.8561, 0.4172, 0.2461]\n", + " PeriodicSite: Li (15.3, 7.305, 18.31) [0.7532, 0.3596, 0.9013]\n", + " PeriodicSite: Li (19.7, 17.42, 7.416) [0.97, 0.8575, 0.3651]\n", + " PeriodicSite: Li (17.63, 0.5219, 1.263) [0.8682, 0.02569, 0.06217]\n", + " PeriodicSite: Li (3.019, 9.33, 4.951) [0.1486, 0.4593, 0.2437]\n", + " PeriodicSite: Li (9.369, 7.928, 19.93) [0.4613, 0.3903, 0.9811]\n", + " PeriodicSite: Li (7.485, 15.59, 7.652) [0.3685, 0.7673, 0.3767]\n", + " PeriodicSite: Li (6.383, 20.16, 17.26) [0.3142, 0.9924, 0.8498]\n", + " PeriodicSite: Li (18.05, 5.495, 6.888) [0.8888, 0.2705, 0.3391]\n", + " PeriodicSite: Li (17.43, 12.06, 14.95) [0.8579, 0.5938, 0.7359]\n", + " PeriodicSite: Li (1.976, 15.4, 2.956) [0.09728, 0.7583, 0.1455]\n", + " PeriodicSite: Li (13.79, 1.043, 13.84) [0.679, 0.05132, 0.6812]\n", + " PeriodicSite: Cl (7.404, 12.72, 12.79) [0.3645, 0.6262, 0.6298]\n", + " PeriodicSite: Cl (2.722, 12.64, 18.04) [0.134, 0.6222, 0.888]\n", + " PeriodicSite: Cl (12.72, 17.2, 13.09) [0.6264, 0.8466, 0.6447]\n", + " PeriodicSite: Cl (17.8, 7.518, 18.15) [0.8761, 0.3701, 0.8933]\n", + " PeriodicSite: Cl (6.824, 2.624, 2.481) [0.336, 0.1292, 0.1222]\n", + " PeriodicSite: Cl (7.809, 8.084, 7.747) [0.3844, 0.398, 0.3814]\n", + " PeriodicSite: Cl (12.92, 12.92, 7.279) [0.6359, 0.6361, 0.3583]\n", + " PeriodicSite: Cl (2.993, 7.908, 2.731) [0.1474, 0.3893, 0.1344]\n", + " PeriodicSite: Cl (2.804, 8.053, 12.83) [0.138, 0.3965, 0.6317]\n", + " PeriodicSite: Cl (12.72, 12.34, 17.52) [0.626, 0.6076, 0.8625]\n", + " PeriodicSite: Cl (17.78, 17.74, 17.67) [0.8751, 0.8732, 0.8698]\n", + " PeriodicSite: Cl (2.622, 2.046, 7.674) [0.1291, 0.1007, 0.3778]\n", + " PeriodicSite: Cl (12.45, 2.367, 17.6) [0.613, 0.1165, 0.8665]\n", + " PeriodicSite: Cl (12.67, 7.496, 2.519) [0.6237, 0.369, 0.124]\n", + " PeriodicSite: Cl (17.76, 2.312, 12.91) [0.8742, 0.1138, 0.6357]\n", + " PeriodicSite: Cl (7.698, 17.78, 17.71) [0.379, 0.8754, 0.8717]\n", + " PeriodicSite: Cl (20.0, 20.24, 0.5513) [0.9848, 0.9967, 0.02715]\n", + " PeriodicSite: Cl (20.3, 0.1328, 10.11) [0.9993, 0.006529, 0.4979]\n", + " PeriodicSite: Cl (20.2, 10.41, 0.4161) [0.9944, 0.5123, 0.02049]\n", + " PeriodicSite: Cl (0.3728, 10.7, 9.939) [0.01835, 0.5269, 0.4893]\n", + " PeriodicSite: Cl (10.22, 20.08, 20.26) [0.5033, 0.9888, 0.9973]\n", + " PeriodicSite: Cl (9.753, 0.4498, 9.692) [0.4802, 0.02214, 0.4771]\n", + " PeriodicSite: Cl (10.03, 9.978, 0.1317) [0.4937, 0.4912, 0.006486]\n", + " PeriodicSite: Cl (10.44, 9.954, 9.871) [0.5142, 0.49, 0.486]\n", + " PeriodicSite: Cl (19.98, 5.183, 5.068) [0.9834, 0.2551, 0.2495]\n", + " PeriodicSite: Cl (0.2483, 5.396, 15.67) [0.01223, 0.2657, 0.7713]\n", + " PeriodicSite: Cl (0.3163, 15.25, 4.802) [0.01557, 0.7507, 0.2364]\n", + " PeriodicSite: Cl (19.95, 15.27, 15.17) [0.9823, 0.752, 0.7469]\n", + " PeriodicSite: Cl (10.14, 5.339, 5.044) [0.4991, 0.2628, 0.2483]\n", + " PeriodicSite: Cl (10.54, 5.399, 15.16) [0.5191, 0.2658, 0.7463]\n", + " PeriodicSite: Cl (10.22, 15.08, 4.652) [0.5031, 0.7425, 0.229]\n", + " PeriodicSite: Cl (9.896, 15.25, 15.43) [0.4872, 0.7506, 0.7594]\n", + " PeriodicSite: S (4.702, 20.31, 4.859) [0.2315, 1.0, 0.2392]\n", + " PeriodicSite: S (5.195, 20.22, 15.32) [0.2557, 0.9957, 0.7542]\n", + " PeriodicSite: S (5.512, 10.38, 5.23) [0.2714, 0.5109, 0.2575]\n", + " PeriodicSite: S (5.391, 9.895, 15.17) [0.2654, 0.4871, 0.7469]\n", + " PeriodicSite: S (14.44, 20.29, 5.336) [0.7111, 0.9989, 0.2627]\n", + " PeriodicSite: S (15.29, 20.03, 15.52) [0.7529, 0.986, 0.764]\n", + " PeriodicSite: S (15.67, 10.35, 5.014) [0.7712, 0.5095, 0.2469]\n", + " PeriodicSite: S (15.73, 10.0, 14.8) [0.7744, 0.4923, 0.7285]\n", + " PeriodicSite: S (4.98, 5.331, 0.1462) [0.2452, 0.2625, 0.007197]\n", + " PeriodicSite: S (4.77, 4.945, 10.38) [0.2348, 0.2435, 0.5109]\n", + " PeriodicSite: S (4.931, 15.5, 20.21) [0.2427, 0.763, 0.9948]\n", + " PeriodicSite: S (4.844, 15.3, 10.13) [0.2385, 0.7534, 0.4988]\n", + " PeriodicSite: S (15.28, 5.088, 0.03851) [0.7521, 0.2505, 0.0019]\n", + " PeriodicSite: S (14.92, 5.371, 10.08) [0.7345, 0.2644, 0.4962]\n", + " PeriodicSite: S (15.07, 15.5, 0.08586) [0.7421, 0.7629, 0.004232]\n", + " PeriodicSite: S (15.04, 15.5, 10.22) [0.7403, 0.7633, 0.5029]\n", + " PeriodicSite: S (9.044, 4.031, 8.432) [0.4453, 0.1984, 0.4151]\n", + " PeriodicSite: S (9.289, 3.539, 19.35) [0.4573, 0.1742, 0.9528]\n", + " PeriodicSite: S (8.727, 14.07, 8.798) [0.4296, 0.6926, 0.4332]\n", + " PeriodicSite: S (8.793, 14.24, 19.13) [0.4329, 0.7011, 0.9417]\n", + " PeriodicSite: S (18.72, 3.781, 9.1) [0.9216, 0.1861, 0.448]\n", + " PeriodicSite: S (19.5, 3.819, 19.32) [0.9599, 0.188, 0.9511]\n", + " PeriodicSite: S (18.78, 14.07, 9.081) [0.9246, 0.6928, 0.4471]\n", + " PeriodicSite: S (19.2, 13.8, 18.94) [0.9452, 0.6795, 0.9323]\n", + " PeriodicSite: S (3.348, 0.9627, 0.5946) [0.1648, 0.04739, 0.02928]\n", + " PeriodicSite: S (3.958, 1.124, 11.19) [0.1949, 0.05532, 0.5511]\n", + " PeriodicSite: S (4.259, 11.37, 1.336) [0.2096, 0.5596, 0.06576]\n", + " PeriodicSite: S (4.099, 11.44, 11.53) [0.2018, 0.5633, 0.5677]\n", + " PeriodicSite: S (14.05, 1.135, 1.196) [0.6918, 0.05585, 0.05887]\n", + " PeriodicSite: S (13.9, 1.551, 11.43) [0.6841, 0.07636, 0.563]\n", + " PeriodicSite: S (13.78, 11.25, 1.17) [0.6785, 0.5539, 0.05762]\n", + " PeriodicSite: S (13.99, 11.22, 11.13) [0.6888, 0.5522, 0.5479]\n", + " PeriodicSite: S (6.476, 1.213, 9.117) [0.3188, 0.0597, 0.4488]\n", + " PeriodicSite: S (6.274, 1.49, 19.09) [0.3089, 0.07334, 0.94]\n", + " PeriodicSite: S (6.565, 11.49, 9.423) [0.3232, 0.5657, 0.4639]\n", + " PeriodicSite: S (6.526, 11.61, 19.07) [0.3213, 0.5716, 0.9387]\n", + " PeriodicSite: S (16.23, 0.9847, 9.28) [0.7991, 0.04847, 0.4569]\n", + " PeriodicSite: S (16.5, 1.196, 19.55) [0.8125, 0.05886, 0.9626]\n", + " PeriodicSite: S (16.3, 11.31, 8.861) [0.8025, 0.5566, 0.4362]\n", + " PeriodicSite: S (16.05, 11.39, 19.0) [0.79, 0.5606, 0.9352]\n", + " PeriodicSite: S (1.204, 3.85, 1.483) [0.05927, 0.1895, 0.073]\n", + " PeriodicSite: S (1.08, 3.749, 11.33) [0.05318, 0.1846, 0.5577]\n", + " PeriodicSite: S (1.027, 14.16, 1.132) [0.05058, 0.6971, 0.05575]\n", + " PeriodicSite: S (0.8017, 14.31, 11.42) [0.03947, 0.7045, 0.5621]\n", + " PeriodicSite: S (11.18, 4.126, 1.874) [0.5502, 0.2031, 0.09224]\n", + " PeriodicSite: S (10.99, 3.659, 11.31) [0.5411, 0.1801, 0.5566]\n", + " PeriodicSite: S (11.28, 14.15, 1.03) [0.5554, 0.6966, 0.05071]\n", + " PeriodicSite: S (11.06, 13.7, 11.49) [0.5446, 0.6745, 0.5656]\n", + " PeriodicSite: S (2.589, 2.779, 17.58) [0.1274, 0.1368, 0.8657]\n", + " PeriodicSite: S (3.033, 12.46, 7.77) [0.1493, 0.6134, 0.3825]\n", + " PeriodicSite: S (12.48, 2.674, 7.575) [0.6145, 0.1316, 0.3729]\n", + " PeriodicSite: S (8.896, 9.141, 4.055) [0.438, 0.45, 0.1996]\n", + " PeriodicSite: S (8.967, 8.672, 13.85) [0.4414, 0.4269, 0.6821]\n", + " PeriodicSite: S (8.703, 19.08, 3.709) [0.4284, 0.9396, 0.1826]\n", + " PeriodicSite: S (8.805, 18.86, 14.22) [0.4335, 0.9283, 0.6998]\n", + " PeriodicSite: S (19.26, 9.173, 3.784) [0.9483, 0.4516, 0.1863]\n", + " PeriodicSite: S (19.57, 8.84, 13.96) [0.9632, 0.4352, 0.6874]\n", + " PeriodicSite: S (19.03, 19.03, 3.707) [0.9367, 0.9369, 0.1825]\n", + " PeriodicSite: S (19.08, 19.1, 13.86) [0.9394, 0.9404, 0.6822]\n", + " PeriodicSite: S (3.963, 6.461, 6.835) [0.1951, 0.3181, 0.3365]\n", + " PeriodicSite: S (3.838, 6.327, 16.71) [0.1889, 0.3115, 0.8225]\n", + " PeriodicSite: S (3.764, 16.49, 5.968) [0.1853, 0.8116, 0.2938]\n", + " PeriodicSite: S (3.733, 16.41, 16.2) [0.1838, 0.8079, 0.7973]\n", + " PeriodicSite: S (13.89, 6.147, 6.351) [0.6838, 0.3026, 0.3127]\n", + " PeriodicSite: S (14.17, 6.282, 16.5) [0.6975, 0.3093, 0.8125]\n", + " PeriodicSite: S (13.92, 16.5, 6.023) [0.6853, 0.8124, 0.2965]\n", + " PeriodicSite: S (13.67, 16.5, 16.62) [0.6732, 0.8125, 0.8181]\n", + " PeriodicSite: S (6.482, 6.368, 4.557) [0.3191, 0.3135, 0.2243]\n", + " PeriodicSite: S (6.106, 6.209, 14.47) [0.3006, 0.3057, 0.7122]\n", + " PeriodicSite: S (6.149, 16.52, 3.653) [0.3027, 0.8135, 0.1799]\n", + " PeriodicSite: S (6.34, 16.05, 14.02) [0.3121, 0.7899, 0.6901]\n", + " PeriodicSite: S (16.34, 6.359, 3.979) [0.8046, 0.313, 0.1959]\n", + " PeriodicSite: S (17.08, 5.726, 14.63) [0.8406, 0.2819, 0.7204]\n", + " PeriodicSite: S (16.4, 16.33, 3.789) [0.8075, 0.804, 0.1865]\n", + " PeriodicSite: S (16.18, 16.48, 14.24) [0.7968, 0.8115, 0.7008]\n", + " PeriodicSite: S (1.252, 9.074, 6.526) [0.06162, 0.4467, 0.3213]\n", + " PeriodicSite: S (1.417, 9.302, 16.43) [0.06976, 0.458, 0.8086]\n", + " PeriodicSite: S (1.079, 19.09, 5.98) [0.05314, 0.9396, 0.2944]\n", + " PeriodicSite: S (1.159, 19.03, 16.08) [0.05705, 0.937, 0.7917]\n", + " PeriodicSite: S (11.72, 9.061, 5.793) [0.5772, 0.4461, 0.2852]\n", + " PeriodicSite: S (11.32, 8.827, 16.41) [0.5573, 0.4346, 0.8079]\n", + " PeriodicSite: S (10.9, 18.88, 6.043) [0.5366, 0.9297, 0.2975]\n", + " PeriodicSite: S (11.33, 19.15, 16.31) [0.5576, 0.9429, 0.8029]\n", + " PeriodicSite: S (2.498, 17.5, 2.317) [0.123, 0.8614, 0.114]\n", + " PeriodicSite: S (2.483, 17.85, 12.79) [0.1222, 0.879, 0.6295]\n", + " PeriodicSite: S (13.01, 7.646, 12.6) [0.6404, 0.3764, 0.6203]\n", + " PeriodicSite: S (12.53, 17.96, 2.27) [0.6169, 0.884, 0.1118]\n", + " PeriodicSite: S (3.674, 4.298, 4.265) [0.1809, 0.2116, 0.21]\n", + " PeriodicSite: S (3.673, 3.897, 14.29) [0.1808, 0.1919, 0.7037]\n", + " PeriodicSite: S (3.746, 13.93, 3.826) [0.1844, 0.6858, 0.1883]\n", + " PeriodicSite: S (3.739, 13.82, 14.12) [0.1841, 0.6802, 0.6952]\n", + " PeriodicSite: S (13.96, 4.055, 3.965) [0.6871, 0.1996, 0.1952]\n", + " PeriodicSite: S (14.18, 3.784, 14.15) [0.6981, 0.1863, 0.6966]\n", + " PeriodicSite: S (13.88, 14.03, 3.614) [0.6832, 0.6908, 0.1779]\n", + " PeriodicSite: S (13.77, 13.89, 14.64) [0.6778, 0.6836, 0.7207]\n", + " PeriodicSite: S (8.864, 1.301, 6.108) [0.4364, 0.06405, 0.3007]\n", + " PeriodicSite: S (8.853, 0.9076, 16.6) [0.4359, 0.04468, 0.8172]\n", + " PeriodicSite: S (9.459, 11.64, 6.119) [0.4657, 0.5729, 0.3012]\n", + " PeriodicSite: S (9.025, 11.13, 16.02) [0.4443, 0.5482, 0.7885]\n", + " PeriodicSite: S (18.82, 1.101, 6.042) [0.9266, 0.05421, 0.2975]\n", + " PeriodicSite: S (19.19, 1.301, 16.31) [0.9447, 0.06403, 0.8029]\n", + " PeriodicSite: S (19.25, 11.44, 6.353) [0.9477, 0.5632, 0.3128]\n", + " PeriodicSite: S (19.37, 11.73, 16.33) [0.9536, 0.5775, 0.804]\n", + " PeriodicSite: S (1.136, 1.232, 3.73) [0.05595, 0.06067, 0.1836]\n", + " PeriodicSite: S (1.011, 1.41, 14.0) [0.04975, 0.06944, 0.6891]\n", + " PeriodicSite: S (1.446, 11.41, 4.213) [0.07121, 0.5619, 0.2074]\n", + " PeriodicSite: S (1.194, 11.61, 13.86) [0.0588, 0.5717, 0.6825]\n", + " PeriodicSite: S (11.21, 0.9198, 3.722) [0.5518, 0.04528, 0.1832]\n", + " PeriodicSite: S (11.04, 1.305, 13.89) [0.5434, 0.06425, 0.6839]\n", + " PeriodicSite: S (11.41, 11.22, 3.355) [0.5619, 0.5525, 0.1652]\n", + " PeriodicSite: S (11.49, 11.06, 13.88) [0.5655, 0.5445, 0.6835]\n", + " PeriodicSite: S (5.948, 3.905, 6.832) [0.2928, 0.1922, 0.3363]\n", + " PeriodicSite: S (6.304, 3.827, 16.92) [0.3104, 0.1884, 0.8329]\n", + " PeriodicSite: S (6.087, 14.19, 6.105) [0.2997, 0.6984, 0.3006]\n", + " PeriodicSite: S (5.98, 13.86, 16.57) [0.2944, 0.6824, 0.8159]\n", + " PeriodicSite: S (16.54, 3.937, 6.102) [0.8142, 0.1938, 0.3004]\n", + " PeriodicSite: S (15.97, 3.579, 16.96) [0.7861, 0.1762, 0.8349]\n", + " PeriodicSite: S (16.12, 14.19, 6.116) [0.7935, 0.6987, 0.3011]\n", + " PeriodicSite: S (16.25, 14.0, 16.58) [0.8002, 0.689, 0.816]\n", + " PeriodicSite: S (7.217, 2.489, 12.82) [0.3553, 0.1225, 0.6309]\n", + " PeriodicSite: S (7.83, 12.78, 2.592) [0.3855, 0.629, 0.1276]\n", + " PeriodicSite: S (17.64, 2.414, 2.604) [0.8682, 0.1188, 0.1282]\n", + " PeriodicSite: S (17.77, 13.03, 2.366) [0.8746, 0.6413, 0.1165]\n", + " PeriodicSite: S (17.53, 12.45, 12.53) [0.863, 0.6127, 0.617]\n", + " PeriodicSite: S (4.175, 9.113, 9.017) [0.2056, 0.4486, 0.4439]\n", + " PeriodicSite: S (4.297, 8.983, 19.17) [0.2115, 0.4423, 0.9438]\n", + " PeriodicSite: S (4.204, 19.07, 8.831) [0.207, 0.9389, 0.4347]\n", + " PeriodicSite: S (4.281, 19.09, 18.43) [0.2108, 0.94, 0.9072]\n", + " PeriodicSite: S (13.86, 8.724, 8.842) [0.6825, 0.4295, 0.4353]\n", + " PeriodicSite: S (13.84, 9.006, 19.29) [0.6813, 0.4434, 0.9495]\n", + " PeriodicSite: S (13.63, 19.38, 9.33) [0.6708, 0.9539, 0.4593]\n", + " PeriodicSite: S (14.18, 19.14, 18.72) [0.698, 0.9423, 0.9215]\n", + " PeriodicSite: S (8.48, 6.051, 1.27) [0.4175, 0.2979, 0.0625]\n", + " PeriodicSite: S (8.743, 6.174, 10.94) [0.4304, 0.3039, 0.5386]\n", + " PeriodicSite: S (8.54, 16.45, 1.218) [0.4204, 0.8097, 0.05996]\n", + " PeriodicSite: S (9.216, 16.44, 11.38) [0.4537, 0.8094, 0.5601]\n", + " PeriodicSite: S (18.97, 6.34, 1.516) [0.9339, 0.3121, 0.07466]\n", + " PeriodicSite: S (19.28, 6.172, 11.31) [0.9494, 0.3039, 0.5566]\n", + " PeriodicSite: S (18.76, 16.2, 0.7171) [0.9235, 0.7976, 0.03531]\n", + " PeriodicSite: S (18.78, 16.6, 11.15) [0.9248, 0.8174, 0.5492]\n", + " PeriodicSite: S (0.9796, 5.878, 8.522) [0.04822, 0.2894, 0.4195]\n", + " PeriodicSite: S (0.9956, 6.609, 19.76) [0.04902, 0.3253, 0.9727]\n", + " PeriodicSite: S (0.9746, 16.66, 9.041) [0.04798, 0.82, 0.4451]\n", + " PeriodicSite: S (1.025, 16.27, 18.74) [0.05046, 0.801, 0.9225]\n", + " PeriodicSite: S (11.47, 6.219, 9.123) [0.5647, 0.3062, 0.4491]\n", + " PeriodicSite: S (11.24, 6.383, 19.66) [0.5531, 0.3142, 0.9677]\n", + " PeriodicSite: S (11.11, 16.29, 8.857) [0.547, 0.8017, 0.436]\n", + " PeriodicSite: S (11.16, 16.71, 19.09) [0.5494, 0.8227, 0.9398]\n", + " PeriodicSite: S (6.699, 9.2, 1.225) [0.3298, 0.4529, 0.06031]\n", + " PeriodicSite: S (6.591, 8.91, 11.42) [0.3245, 0.4386, 0.5623]\n", + " PeriodicSite: S (5.956, 19.31, 0.9997) [0.2932, 0.9507, 0.04922]\n", + " PeriodicSite: S (6.358, 19.0, 11.32) [0.313, 0.9356, 0.5573]\n", + " PeriodicSite: S (16.62, 9.015, 0.9606) [0.8181, 0.4438, 0.0473]\n", + " PeriodicSite: S (16.5, 8.73, 10.87) [0.8122, 0.4298, 0.5354]\n", + " PeriodicSite: S (16.06, 18.92, 1.205) [0.7906, 0.9316, 0.05933]\n", + " PeriodicSite: S (15.7, 19.12, 11.9) [0.7731, 0.9413, 0.5857]\n", + " PeriodicSite: S (7.883, 7.423, 18.06) [0.3881, 0.3654, 0.8893]\n", + " PeriodicSite: S (7.605, 17.84, 7.54) [0.3744, 0.8782, 0.3712]\n", + " PeriodicSite: S (17.5, 7.996, 7.541) [0.8614, 0.3936, 0.3713]\n", + " PeriodicSite: S (17.33, 17.97, 7.725) [0.8534, 0.8848, 0.3803]\n", + " PeriodicSite: P (4.916, 0.07005, 19.93) [0.242, 0.003448, 0.9813]\n", + " PeriodicSite: P (5.309, 20.31, 10.17) [0.2614, 0.9999, 0.5009]\n", + " PeriodicSite: P (5.4, 10.35, 20.31) [0.2658, 0.5094, 0.9997]\n", + " PeriodicSite: P (5.329, 10.21, 10.46) [0.2623, 0.5027, 0.5151]\n", + " PeriodicSite: P (15.12, 20.26, 0.0007229) [0.7442, 0.9973, 4.135e-05]\n", + " PeriodicSite: P (14.94, 0.07313, 10.5) [0.7354, 0.003594, 0.5171]\n", + " PeriodicSite: P (15.16, 10.13, 0.03852) [0.7465, 0.4985, 0.001901]\n", + " PeriodicSite: P (15.18, 10.06, 9.831) [0.7475, 0.4953, 0.484]\n", + " PeriodicSite: P (5.032, 5.235, 5.576) [0.2478, 0.2577, 0.2745]\n", + " PeriodicSite: P (4.862, 4.984, 15.61) [0.2394, 0.2454, 0.7683]\n", + " PeriodicSite: P (4.982, 15.29, 4.797) [0.2453, 0.7529, 0.2362]\n", + " PeriodicSite: P (4.934, 15.09, 15.23) [0.2429, 0.7428, 0.7497]\n", + " PeriodicSite: P (15.3, 5.095, 5.109) [0.7533, 0.2508, 0.2515]\n", + " PeriodicSite: P (15.4, 4.861, 15.52) [0.7581, 0.2393, 0.7639]\n", + " PeriodicSite: P (15.07, 15.25, 4.867) [0.7421, 0.7508, 0.2396]\n", + " PeriodicSite: P (14.98, 15.32, 15.41) [0.7373, 0.7543, 0.7587]\n", + " PeriodicSite: P (20.12, 20.28, 4.798) [0.9907, 0.9983, 0.2362]\n", + " PeriodicSite: P (20.16, 0.0238, 15.06) [0.9926, 0.001163, 0.7412]\n", + " PeriodicSite: P (0.02952, 10.14, 5.214) [0.00145, 0.4991, 0.2567]\n", + " PeriodicSite: P (0.07893, 10.49, 15.22) [0.003885, 0.5167, 0.7492]\n", + " PeriodicSite: P (10.01, 20.22, 4.962) [0.4929, 0.9953, 0.2443]\n", + " PeriodicSite: P (10.03, 20.27, 15.16) [0.4938, 0.9978, 0.7466]\n", + " PeriodicSite: P (10.36, 10.26, 4.894) [0.51, 0.5052, 0.241]\n", + " PeriodicSite: P (10.17, 9.79, 15.04) [0.5009, 0.482, 0.7402]\n", + " PeriodicSite: P (20.26, 5.107, 0.5519) [0.9974, 0.2514, 0.02718]\n", + " PeriodicSite: P (20.21, 4.885, 10.06) [0.9948, 0.2405, 0.4952]\n", + " PeriodicSite: P (20.14, 15.23, 20.07) [0.9913, 0.7499, 0.9879]\n", + " PeriodicSite: P (19.94, 15.42, 10.12) [0.9816, 0.759, 0.4982]\n", + " PeriodicSite: P (10.09, 5.02, 0.4208) [0.497, 0.2472, 0.02072]\n", + " PeriodicSite: P (10.05, 4.98, 9.938) [0.4949, 0.2452, 0.4893]\n", + " PeriodicSite: P (10.02, 15.47, 20.26) [0.4932, 0.7615, 0.9972]\n", + " PeriodicSite: P (10.1, 15.01, 10.15) [0.4971, 0.7392, 0.4999],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.276, 4.705, 6.238) [0.112, 0.2316, 0.3071]\n", + " PeriodicSite: Li (1.659, 3.37, 16.05) [0.08168, 0.1659, 0.7899]\n", + " PeriodicSite: Li (1.24, 12.93, 9.644) [0.06106, 0.6363, 0.4748]\n", + " PeriodicSite: Li (0.08787, 13.8, 16.19) [0.004324, 0.6796, 0.797]\n", + " PeriodicSite: Li (14.36, 0.7547, 7.566) [0.7071, 0.03715, 0.3725]\n", + " PeriodicSite: Li (11.99, 3.394, 15.57) [0.5901, 0.1671, 0.7664]\n", + " PeriodicSite: Li (17.63, 12.62, 4.99) [0.8681, 0.6215, 0.2457]\n", + " PeriodicSite: Li (16.12, 8.001, 15.8) [0.7936, 0.3939, 0.7778]\n", + " PeriodicSite: Li (3.328, 3.054, 9.897) [0.1638, 0.1503, 0.4872]\n", + " PeriodicSite: Li (2.702, 0.5048, 17.21) [0.133, 0.02485, 0.847]\n", + " PeriodicSite: Li (5.363, 8.059, 6.308) [0.264, 0.3968, 0.3105]\n", + " PeriodicSite: Li (7.464, 10.06, 13.87) [0.3675, 0.4953, 0.6829]\n", + " PeriodicSite: Li (11.19, 4.309, 7.12) [0.5507, 0.2121, 0.3505]\n", + " PeriodicSite: Li (13.21, 5.46, 0.8689) [0.6504, 0.2688, 0.04278]\n", + " PeriodicSite: Li (11.58, 9.602, 11.9) [0.5703, 0.4727, 0.5858]\n", + " PeriodicSite: Li (9.82, 18.7, 18.26) [0.4834, 0.9208, 0.8988]\n", + " PeriodicSite: Li (5.182, 1.373, 7.059) [0.2551, 0.06758, 0.3475]\n", + " PeriodicSite: Li (4.385, 2.378, 16.36) [0.2159, 0.1171, 0.8053]\n", + " PeriodicSite: Li (4.776, 10.85, 7.61) [0.2351, 0.534, 0.3746]\n", + " PeriodicSite: Li (6.13, 12.44, 14.74) [0.3018, 0.6125, 0.7258]\n", + " PeriodicSite: Li (11.83, 1.254, 10.45) [0.5826, 0.06174, 0.5142]\n", + " PeriodicSite: Li (10.21, 1.867, 18.73) [0.5028, 0.09191, 0.9221]\n", + " PeriodicSite: Li (14.2, 14.91, 8.525) [0.6991, 0.7341, 0.4197]\n", + " PeriodicSite: Li (12.03, 10.15, 18.07) [0.5924, 0.4995, 0.8895]\n", + " PeriodicSite: Li (20.18, 2.563, 7.858) [0.9936, 0.1262, 0.3868]\n", + " PeriodicSite: Li (1.36, 2.243, 20.01) [0.06695, 0.1104, 0.9853]\n", + " PeriodicSite: Li (0.5497, 13.48, 5.71) [0.02706, 0.6636, 0.2811]\n", + " PeriodicSite: Li (3.118, 13.46, 20.1) [0.1535, 0.6627, 0.9898]\n", + " PeriodicSite: Li (13.33, 1.996, 5.428) [0.6564, 0.09827, 0.2672]\n", + " PeriodicSite: Li (13.25, 0.3392, 17.31) [0.6524, 0.01669, 0.8522]\n", + " PeriodicSite: Li (11.51, 10.82, 7.786) [0.5666, 0.5326, 0.3833]\n", + " PeriodicSite: Li (13.32, 14.66, 18.35) [0.656, 0.7219, 0.9034]\n", + " PeriodicSite: Li (7.241, 0.542, 4.133) [0.3565, 0.02668, 0.2035]\n", + " PeriodicSite: Li (2.131, 19.93, 0.6585) [0.1049, 0.981, 0.03242]\n", + " PeriodicSite: Li (4.416, 12.97, 9.399) [0.2174, 0.6387, 0.4627]\n", + " PeriodicSite: Li (0.9794, 18.03, 14.19) [0.04821, 0.8875, 0.6986]\n", + " PeriodicSite: Li (14.83, 3.983, 8.068) [0.7302, 0.1961, 0.3972]\n", + " PeriodicSite: Li (14.13, 3.845, 18.67) [0.6954, 0.1893, 0.9192]\n", + " PeriodicSite: Li (17.27, 15.59, 8.088) [0.8505, 0.7673, 0.3982]\n", + " PeriodicSite: Li (13.19, 13.57, 0.9076) [0.6494, 0.6682, 0.04469]\n", + " PeriodicSite: Li (4.968, 2.255, 3.194) [0.2446, 0.111, 0.1572]\n", + " PeriodicSite: Li (4.416, 2.819, 19.56) [0.2174, 0.1388, 0.9628]\n", + " PeriodicSite: Li (3.482, 12.4, 5.668) [0.1714, 0.6105, 0.279]\n", + " PeriodicSite: Li (19.84, 11.07, 2.487) [0.9767, 0.545, 0.1225]\n", + " PeriodicSite: Li (10.6, 1.776, 7.545) [0.5219, 0.08745, 0.3714]\n", + " PeriodicSite: Li (16.82, 20.26, 17.14) [0.8278, 0.9973, 0.8436]\n", + " PeriodicSite: Li (14.25, 12.56, 5.495) [0.7014, 0.6183, 0.2705]\n", + " PeriodicSite: Li (14.43, 11.91, 16.35) [0.7104, 0.5866, 0.805]\n", + " PeriodicSite: Li (4.913, 11.95, 17.39) [0.2419, 0.5884, 0.856]\n", + " PeriodicSite: Li (2.035, 10.26, 8.336) [0.1002, 0.5053, 0.4104]\n", + " PeriodicSite: Li (3.084, 16.86, 20.05) [0.1518, 0.8303, 0.9869]\n", + " PeriodicSite: Li (2.455, 0.3948, 9.043) [0.1209, 0.01943, 0.4452]\n", + " PeriodicSite: Li (12.44, 6.662, 4.974) [0.6126, 0.328, 0.2449]\n", + " PeriodicSite: Li (12.96, 8.91, 14.78) [0.638, 0.4386, 0.7277]\n", + " PeriodicSite: Li (11.7, 14.83, 6.358) [0.5758, 0.7303, 0.313]\n", + " PeriodicSite: Li (14.4, 18.35, 13.62) [0.7087, 0.9033, 0.6706]\n", + " PeriodicSite: Li (3.084, 6.295, 0.5615) [0.1518, 0.3099, 0.02765]\n", + " PeriodicSite: Li (3.267, 5.103, 12.34) [0.1608, 0.2512, 0.6073]\n", + " PeriodicSite: Li (6.452, 17.21, 19.65) [0.3176, 0.8474, 0.9674]\n", + " PeriodicSite: Li (3.469, 18.87, 14.8) [0.1708, 0.9289, 0.7286]\n", + " PeriodicSite: Li (16.19, 6.279, 1.653) [0.797, 0.3091, 0.08137]\n", + " PeriodicSite: Li (10.51, 6.953, 12.59) [0.5172, 0.3423, 0.6197]\n", + " PeriodicSite: Li (13.01, 18.59, 4.721) [0.6407, 0.9152, 0.2324]\n", + " PeriodicSite: Li (11.29, 16.95, 15.16) [0.5559, 0.8347, 0.7466]\n", + " PeriodicSite: Li (2.904, 9.265, 1.156) [0.143, 0.4561, 0.05689]\n", + " PeriodicSite: Li (4.002, 6.554, 9.495) [0.197, 0.3227, 0.4674]\n", + " PeriodicSite: Li (4.982, 16.89, 1.837) [0.2453, 0.8314, 0.09043]\n", + " PeriodicSite: Li (2.516, 16.06, 10.65) [0.1239, 0.7905, 0.5242]\n", + " PeriodicSite: Li (12.3, 9.656, 1.332) [0.6053, 0.4754, 0.0656]\n", + " PeriodicSite: Li (12.53, 6.211, 14.95) [0.6171, 0.3058, 0.7358]\n", + " PeriodicSite: Li (12.23, 15.87, 3.25) [0.6019, 0.7814, 0.16]\n", + " PeriodicSite: Li (12.9, 15.17, 12.19) [0.635, 0.747, 0.5999]\n", + " PeriodicSite: Li (0.5621, 6.998, 3.389) [0.02767, 0.3445, 0.1668]\n", + " PeriodicSite: Li (17.53, 5.005, 10.86) [0.863, 0.2464, 0.5344]\n", + " PeriodicSite: Li (1.522, 17.48, 4.331) [0.07493, 0.8605, 0.2132]\n", + " PeriodicSite: Li (20.24, 18.25, 10.71) [0.9966, 0.8985, 0.5274]\n", + " PeriodicSite: Li (10.29, 6.815, 2.78) [0.5064, 0.3355, 0.1369]\n", + " PeriodicSite: Li (14.42, 9.493, 12.6) [0.7101, 0.4674, 0.6202]\n", + " PeriodicSite: Li (12.95, 17.19, 0.1265) [0.6376, 0.8465, 0.006231]\n", + " PeriodicSite: Li (8.284, 15.28, 17.18) [0.4078, 0.7521, 0.846]\n", + " PeriodicSite: Li (5.649, 8.814, 3.684) [0.2781, 0.4339, 0.1814]\n", + " PeriodicSite: Li (2.073, 9.808, 11.9) [0.1021, 0.4829, 0.5859]\n", + " PeriodicSite: Li (0.1519, 18.09, 1.952) [0.007472, 0.8904, 0.0961]\n", + " PeriodicSite: Li (2.345, 20.11, 12.35) [0.1154, 0.9901, 0.6081]\n", + " PeriodicSite: Li (16.51, 10.63, 2.763) [0.8129, 0.5231, 0.136]\n", + " PeriodicSite: Li (13.46, 7.155, 10.45) [0.6628, 0.3523, 0.5143]\n", + " PeriodicSite: Li (11.92, 20.13, 1.903) [0.5867, 0.9911, 0.09367]\n", + " PeriodicSite: Li (13.34, 17.46, 10.47) [0.6566, 0.8598, 0.5157]\n", + " PeriodicSite: Li (4.823, 5.631, 2.561) [0.2374, 0.2772, 0.1261]\n", + " PeriodicSite: Li (5.111, 8.295, 13.7) [0.2516, 0.4084, 0.6743]\n", + " PeriodicSite: Li (4.005, 19.42, 3.243) [0.1971, 0.9561, 0.1597]\n", + " PeriodicSite: Li (2.102, 15.46, 13.76) [0.1035, 0.7612, 0.6774]\n", + " PeriodicSite: Li (13.57, 9.545, 3.81) [0.668, 0.4699, 0.1876]\n", + " PeriodicSite: Li (15.03, 5.984, 12.66) [0.7398, 0.2946, 0.6234]\n", + " PeriodicSite: Li (14.75, 17.06, 1.925) [0.7262, 0.8396, 0.0948]\n", + " PeriodicSite: Li (17.98, 2.798, 14.83) [0.8851, 0.1377, 0.7303]\n", + " PeriodicSite: Li (9.18, 2.658, 4.095) [0.4519, 0.1308, 0.2016]\n", + " PeriodicSite: Li (9.559, 2.703, 13.56) [0.4706, 0.1331, 0.6674]\n", + " PeriodicSite: Li (5.724, 12.28, 2.886) [0.2818, 0.6046, 0.1421]\n", + " PeriodicSite: Li (3.167, 10.54, 14.69) [0.1559, 0.5189, 0.7232]\n", + " PeriodicSite: Li (17.23, 1.294, 4.689) [0.8481, 0.0637, 0.2309]\n", + " PeriodicSite: Li (12.74, 4.17, 9.869) [0.6271, 0.2053, 0.4859]\n", + " PeriodicSite: Li (18.33, 11.91, 0.2805) [0.9023, 0.5864, 0.01382]\n", + " PeriodicSite: Li (17.15, 10.22, 13.21) [0.8443, 0.5029, 0.6506]\n", + " PeriodicSite: Li (5.753, 18.24, 5.986) [0.2832, 0.8979, 0.2947]\n", + " PeriodicSite: Li (7.004, 2.065, 15.26) [0.3448, 0.1017, 0.7514]\n", + " PeriodicSite: Li (8.87, 12.18, 0.2347) [0.4367, 0.5995, 0.01156]\n", + " PeriodicSite: Li (9.583, 14.75, 12.92) [0.4718, 0.7262, 0.6362]\n", + " PeriodicSite: Li (15.02, 20.09, 2.971) [0.7393, 0.9893, 0.1463]\n", + " PeriodicSite: Li (19.78, 1.589, 11.85) [0.974, 0.07824, 0.5835]\n", + " PeriodicSite: Li (19.03, 14.71, 2.874) [0.9366, 0.724, 0.1415]\n", + " PeriodicSite: Li (17.02, 15.02, 12.53) [0.838, 0.7394, 0.6169]\n", + " PeriodicSite: Li (8.651, 6.621, 5.867) [0.4259, 0.3259, 0.2888]\n", + " PeriodicSite: Li (7.217, 20.28, 13.34) [0.3553, 0.9986, 0.6568]\n", + " PeriodicSite: Li (9.951, 12.85, 3.799) [0.4899, 0.6328, 0.187]\n", + " PeriodicSite: Li (4.945, 14.08, 12.28) [0.2435, 0.693, 0.6046]\n", + " PeriodicSite: Li (19.38, 2.507, 2.216) [0.954, 0.1234, 0.1091]\n", + " PeriodicSite: Li (0.07226, 5.809, 13.05) [0.003559, 0.286, 0.6425]\n", + " PeriodicSite: Li (16.02, 14.24, 2.119) [0.7887, 0.7009, 0.1043]\n", + " PeriodicSite: Li (15.21, 12.16, 13.13) [0.7489, 0.5988, 0.6463]\n", + " PeriodicSite: Li (2.768, 0.5843, 5.685) [0.1363, 0.02876, 0.2799]\n", + " PeriodicSite: Li (4.765, 1.848, 13.6) [0.2346, 0.09099, 0.6696]\n", + " PeriodicSite: Li (6.922, 14.03, 0.4449) [0.3408, 0.6908, 0.02191]\n", + " PeriodicSite: Li (8.334, 6.571, 15.67) [0.4103, 0.3235, 0.7712]\n", + " PeriodicSite: Li (17.72, 4.501, 3.662) [0.8724, 0.2216, 0.1803]\n", + " PeriodicSite: Li (17.15, 0.3593, 13.48) [0.8441, 0.01768, 0.6634]\n", + " PeriodicSite: Li (16.23, 13.84, 19.05) [0.7992, 0.6815, 0.9377]\n", + " PeriodicSite: Li (18.21, 12.47, 10.48) [0.8965, 0.614, 0.5157]\n", + " PeriodicSite: Li (7.195, 3.903, 0.5849) [0.3542, 0.1921, 0.0288]\n", + " PeriodicSite: Li (5.829, 2.607, 11.02) [0.287, 0.1284, 0.5423]\n", + " PeriodicSite: Li (8.695, 10.52, 2.318) [0.4281, 0.5179, 0.1141]\n", + " PeriodicSite: Li (8.755, 11.64, 11.19) [0.431, 0.573, 0.5508]\n", + " PeriodicSite: Li (15.0, 3.102, 1.966) [0.7384, 0.1527, 0.09678]\n", + " PeriodicSite: Li (15.26, 3.082, 11.53) [0.7511, 0.1517, 0.5679]\n", + " PeriodicSite: Li (0.544, 11.49, 18.46) [0.02678, 0.5656, 0.909]\n", + " PeriodicSite: Li (19.67, 13.45, 13.05) [0.9683, 0.662, 0.6422]\n", + " PeriodicSite: Li (7.924, 0.9015, 1.108) [0.3901, 0.04438, 0.05455]\n", + " PeriodicSite: Li (8.742, 2.391, 10.58) [0.4304, 0.1177, 0.5207]\n", + " PeriodicSite: Li (7.575, 12.2, 4.753) [0.3729, 0.6006, 0.234]\n", + " PeriodicSite: Li (4.82, 17.29, 11.8) [0.2373, 0.8514, 0.5809]\n", + " PeriodicSite: Li (17.03, 3.168, 0.3905) [0.8386, 0.156, 0.01923]\n", + " PeriodicSite: Li (2.231, 7.37, 15.13) [0.1098, 0.3628, 0.7449]\n", + " PeriodicSite: Li (3.883, 15.09, 8.04) [0.1912, 0.7429, 0.3958]\n", + " PeriodicSite: Li (15.75, 12.99, 10.55) [0.7756, 0.6394, 0.5193]\n", + " PeriodicSite: Li (14.68, 8.698, 6.268) [0.7225, 0.4282, 0.3086]\n", + " PeriodicSite: Li (5.263, 8.563, 17.03) [0.2591, 0.4216, 0.8382]\n", + " PeriodicSite: Li (7.262, 14.15, 10.22) [0.3575, 0.6966, 0.5032]\n", + " PeriodicSite: Li (4.772, 15.11, 17.9) [0.2349, 0.744, 0.8811]\n", + " PeriodicSite: Li (17.36, 10.03, 6.992) [0.8546, 0.4937, 0.3442]\n", + " PeriodicSite: Li (2.797, 5.038, 18.34) [0.1377, 0.248, 0.903]\n", + " PeriodicSite: Li (16.86, 18.66, 5.418) [0.8302, 0.9185, 0.2667]\n", + " PeriodicSite: Li (19.79, 18.4, 18.18) [0.974, 0.9059, 0.8949]\n", + " PeriodicSite: Li (7.826, 9.636, 6.272) [0.3853, 0.4744, 0.3088]\n", + " PeriodicSite: Li (9.749, 5.556, 18.09) [0.4799, 0.2735, 0.8907]\n", + " PeriodicSite: Li (7.906, 20.31, 7.845) [0.3892, 0.9997, 0.3862]\n", + " PeriodicSite: Li (6.925, 17.7, 15.19) [0.3409, 0.8712, 0.748]\n", + " PeriodicSite: Li (18.24, 9.014, 9.335) [0.8979, 0.4438, 0.4596]\n", + " PeriodicSite: Li (17.06, 5.064, 18.51) [0.84, 0.2493, 0.9115]\n", + " PeriodicSite: Li (17.38, 19.98, 8.593) [0.8556, 0.9837, 0.423]\n", + " PeriodicSite: Li (17.85, 16.42, 15.32) [0.879, 0.8085, 0.754]\n", + " PeriodicSite: Li (6.776, 4.707, 9.078) [0.3336, 0.2317, 0.4469]\n", + " PeriodicSite: Li (6.019, 5.518, 18.14) [0.2963, 0.2716, 0.893]\n", + " PeriodicSite: Li (9.507, 17.8, 9.233) [0.468, 0.8765, 0.4545]\n", + " PeriodicSite: Li (11.15, 12.74, 15.52) [0.5488, 0.6271, 0.764]\n", + " PeriodicSite: Li (20.09, 6.725, 7.113) [0.9891, 0.331, 0.3502]\n", + " PeriodicSite: Li (19.37, 7.803, 16.0) [0.9534, 0.3842, 0.7876]\n", + " PeriodicSite: Li (16.37, 17.27, 10.08) [0.8059, 0.8502, 0.4962]\n", + " PeriodicSite: Li (16.21, 17.38, 19.97) [0.798, 0.8556, 0.983]\n", + " PeriodicSite: Li (8.001, 8.413, 9.926) [0.3939, 0.4142, 0.4887]\n", + " PeriodicSite: Li (6.016, 7.345, 20.11) [0.2962, 0.3616, 0.99]\n", + " PeriodicSite: Li (6.761, 17.06, 9.572) [0.3329, 0.84, 0.4712]\n", + " PeriodicSite: Li (8.425, 15.25, 2.956) [0.4148, 0.7508, 0.1455]\n", + " PeriodicSite: Li (15.88, 6.896, 8.63) [0.782, 0.3395, 0.4249]\n", + " PeriodicSite: Li (18.88, 8.853, 20.17) [0.9294, 0.4358, 0.9931]\n", + " PeriodicSite: Li (15.14, 18.11, 7.099) [0.7451, 0.8916, 0.3495]\n", + " PeriodicSite: Li (14.9, 18.31, 16.93) [0.7337, 0.9012, 0.8335]\n", + " PeriodicSite: Li (6.472, 4.654, 12.69) [0.3186, 0.2291, 0.6245]\n", + " PeriodicSite: Li (7.469, 9.793, 17.2) [0.3677, 0.4821, 0.8469]\n", + " PeriodicSite: Li (8.777, 17.5, 5.565) [0.4321, 0.8614, 0.274]\n", + " PeriodicSite: Li (10.35, 17.95, 1.166) [0.5098, 0.8835, 0.0574]\n", + " PeriodicSite: Li (17.42, 8.314, 4.843) [0.8574, 0.4093, 0.2384]\n", + " PeriodicSite: Li (15.02, 7.345, 19.33) [0.7396, 0.3616, 0.9519]\n", + " PeriodicSite: Li (19.65, 17.86, 7.35) [0.9674, 0.8792, 0.3619]\n", + " PeriodicSite: Li (18.22, 0.3696, 2.267) [0.8971, 0.01819, 0.1116]\n", + " PeriodicSite: Li (2.934, 9.345, 4.72) [0.1444, 0.4601, 0.2323]\n", + " PeriodicSite: Li (8.885, 8.184, 19.87) [0.4374, 0.4029, 0.9783]\n", + " PeriodicSite: Li (7.554, 15.32, 7.357) [0.3719, 0.7543, 0.3622]\n", + " PeriodicSite: Li (6.272, 20.12, 17.25) [0.3088, 0.9903, 0.8494]\n", + " PeriodicSite: Li (17.97, 5.334, 6.978) [0.8845, 0.2626, 0.3435]\n", + " PeriodicSite: Li (17.18, 11.99, 15.37) [0.8456, 0.5901, 0.7568]\n", + " PeriodicSite: Li (2.285, 15.55, 2.238) [0.1125, 0.7658, 0.1102]\n", + " PeriodicSite: Li (13.57, 1.17, 14.15) [0.6682, 0.05761, 0.6965]\n", + " PeriodicSite: Cl (7.342, 12.96, 12.54) [0.3615, 0.6381, 0.6171]\n", + " PeriodicSite: Cl (2.715, 12.58, 18.16) [0.1337, 0.6195, 0.894]\n", + " PeriodicSite: Cl (12.34, 17.08, 12.93) [0.6077, 0.8406, 0.6367]\n", + " PeriodicSite: Cl (17.68, 7.344, 17.8) [0.8702, 0.3615, 0.8764]\n", + " PeriodicSite: Cl (7.398, 2.634, 2.685) [0.3642, 0.1297, 0.1322]\n", + " PeriodicSite: Cl (7.91, 7.889, 7.654) [0.3894, 0.3884, 0.3768]\n", + " PeriodicSite: Cl (12.68, 12.99, 7.137) [0.6244, 0.6396, 0.3514]\n", + " PeriodicSite: Cl (3.047, 7.597, 2.73) [0.15, 0.374, 0.1344]\n", + " PeriodicSite: Cl (2.937, 7.694, 13.04) [0.1446, 0.3788, 0.6417]\n", + " PeriodicSite: Cl (12.55, 12.53, 17.72) [0.6179, 0.6167, 0.8724]\n", + " PeriodicSite: Cl (17.31, 17.99, 17.54) [0.852, 0.8855, 0.8635]\n", + " PeriodicSite: Cl (2.148, 2.202, 7.533) [0.1058, 0.1084, 0.3709]\n", + " PeriodicSite: Cl (12.48, 2.491, 17.76) [0.6142, 0.1226, 0.8744]\n", + " PeriodicSite: Cl (12.43, 7.751, 2.885) [0.612, 0.3816, 0.142]\n", + " PeriodicSite: Cl (17.69, 2.406, 12.64) [0.8711, 0.1185, 0.6224]\n", + " PeriodicSite: Cl (7.531, 17.69, 17.62) [0.3707, 0.871, 0.8673]\n", + " PeriodicSite: Cl (20.0, 0.01583, 0.4752) [0.9848, 0.0007703, 0.0234]\n", + " PeriodicSite: Cl (20.29, 0.1728, 9.977) [0.9989, 0.0085, 0.4912]\n", + " PeriodicSite: Cl (0.1136, 10.32, 0.4367) [0.005589, 0.5079, 0.0215]\n", + " PeriodicSite: Cl (20.28, 10.25, 10.27) [0.9985, 0.5045, 0.5057]\n", + " PeriodicSite: Cl (9.722, 20.14, 20.23) [0.4786, 0.9917, 0.9959]\n", + " PeriodicSite: Cl (10.12, 0.2675, 9.634) [0.4983, 0.01316, 0.4743]\n", + " PeriodicSite: Cl (10.03, 10.19, 0.166) [0.4936, 0.5016, 0.008177]\n", + " PeriodicSite: Cl (10.22, 9.77, 9.894) [0.5032, 0.481, 0.4871]\n", + " PeriodicSite: Cl (20.12, 4.868, 5.432) [0.9908, 0.2397, 0.2674]\n", + " PeriodicSite: Cl (0.5974, 5.703, 15.22) [0.02941, 0.2808, 0.7492]\n", + " PeriodicSite: Cl (0.2944, 15.48, 4.197) [0.01449, 0.7622, 0.2066]\n", + " PeriodicSite: Cl (20.16, 15.46, 14.64) [0.9927, 0.7612, 0.7208]\n", + " PeriodicSite: Cl (10.37, 5.325, 5.089) [0.5106, 0.2622, 0.2506]\n", + " PeriodicSite: Cl (10.33, 4.959, 15.74) [0.5088, 0.2441, 0.7751]\n", + " PeriodicSite: Cl (9.997, 15.37, 4.852) [0.4921, 0.7565, 0.2389]\n", + " PeriodicSite: Cl (9.741, 15.2, 15.34) [0.4796, 0.7481, 0.755]\n", + " PeriodicSite: S (5.069, 0.3001, 4.872) [0.2496, 0.01477, 0.2399]\n", + " PeriodicSite: S (5.309, 0.2065, 15.2) [0.2614, 0.01016, 0.7484]\n", + " PeriodicSite: S (5.305, 10.37, 5.426) [0.2612, 0.5107, 0.2671]\n", + " PeriodicSite: S (5.434, 10.22, 15.48) [0.2675, 0.5033, 0.7621]\n", + " PeriodicSite: S (15.16, 20.19, 5.305) [0.7465, 0.9941, 0.2612]\n", + " PeriodicSite: S (15.03, 0.026, 15.44) [0.7402, 0.001274, 0.76]\n", + " PeriodicSite: S (15.69, 10.21, 4.853) [0.7725, 0.5025, 0.2389]\n", + " PeriodicSite: S (15.25, 10.12, 14.76) [0.7508, 0.4981, 0.7266]\n", + " PeriodicSite: S (5.046, 4.959, 0.1268) [0.2484, 0.2441, 0.006246]\n", + " PeriodicSite: S (5.077, 4.72, 10.61) [0.25, 0.2324, 0.5224]\n", + " PeriodicSite: S (4.916, 15.39, 20.18) [0.242, 0.7575, 0.9936]\n", + " PeriodicSite: S (5.088, 15.37, 10.15) [0.2505, 0.7568, 0.4999]\n", + " PeriodicSite: S (15.38, 4.895, 0.08498) [0.7571, 0.241, 0.004188]\n", + " PeriodicSite: S (15.18, 5.09, 10.25) [0.7475, 0.2506, 0.5047]\n", + " PeriodicSite: S (14.61, 15.28, 20.24) [0.7195, 0.7524, 0.9963]\n", + " PeriodicSite: S (15.23, 15.39, 10.37) [0.7497, 0.7579, 0.5106]\n", + " PeriodicSite: S (8.82, 3.904, 8.457) [0.4342, 0.1922, 0.4163]\n", + " PeriodicSite: S (8.946, 3.792, 19.41) [0.4404, 0.1867, 0.9555]\n", + " PeriodicSite: S (9.105, 13.98, 8.786) [0.4482, 0.6882, 0.4326]\n", + " PeriodicSite: S (8.775, 14.02, 19.22) [0.432, 0.6901, 0.9462]\n", + " PeriodicSite: S (18.76, 3.725, 9.293) [0.9234, 0.1834, 0.4575]\n", + " PeriodicSite: S (19.08, 4.062, 19.62) [0.9396, 0.2, 0.9661]\n", + " PeriodicSite: S (19.24, 14.11, 8.62) [0.9473, 0.6946, 0.4244]\n", + " PeriodicSite: S (18.95, 13.73, 18.66) [0.933, 0.6757, 0.9188]\n", + " PeriodicSite: S (3.751, 1.3, 1.061) [0.1847, 0.06397, 0.05223]\n", + " PeriodicSite: S (3.989, 1.017, 10.9) [0.1964, 0.05008, 0.5367]\n", + " PeriodicSite: S (3.955, 11.38, 1.346) [0.1947, 0.5603, 0.06624]\n", + " PeriodicSite: S (4.0, 11.5, 11.55) [0.1969, 0.5663, 0.5687]\n", + " PeriodicSite: S (13.82, 1.293, 0.7343) [0.6804, 0.06365, 0.03615]\n", + " PeriodicSite: S (13.71, 1.491, 11.86) [0.6752, 0.0734, 0.5841]\n", + " PeriodicSite: S (14.13, 11.31, 1.468) [0.6958, 0.557, 0.07228]\n", + " PeriodicSite: S (13.92, 11.27, 11.14) [0.6851, 0.5546, 0.5483]\n", + " PeriodicSite: S (6.589, 1.4, 9.202) [0.3244, 0.06891, 0.453]\n", + " PeriodicSite: S (6.409, 1.248, 19.25) [0.3155, 0.06145, 0.9476]\n", + " PeriodicSite: S (6.523, 11.56, 9.198) [0.3211, 0.569, 0.4528]\n", + " PeriodicSite: S (6.588, 11.67, 19.46) [0.3243, 0.5744, 0.9579]\n", + " PeriodicSite: S (15.79, 1.55, 9.424) [0.7773, 0.07629, 0.464]\n", + " PeriodicSite: S (16.41, 1.066, 19.14) [0.808, 0.0525, 0.9424]\n", + " PeriodicSite: S (16.55, 11.59, 8.798) [0.8147, 0.5704, 0.4331]\n", + " PeriodicSite: S (15.97, 11.45, 18.86) [0.7864, 0.5635, 0.9283]\n", + " PeriodicSite: S (1.245, 4.08, 1.619) [0.0613, 0.2009, 0.0797]\n", + " PeriodicSite: S (0.917, 3.74, 11.55) [0.04515, 0.1841, 0.5684]\n", + " PeriodicSite: S (0.9477, 13.88, 0.7523) [0.04665, 0.6832, 0.03704]\n", + " PeriodicSite: S (0.7726, 14.51, 11.35) [0.03803, 0.7142, 0.5589]\n", + " PeriodicSite: S (11.04, 4.196, 1.918) [0.5436, 0.2066, 0.09444]\n", + " PeriodicSite: S (10.78, 3.721, 11.31) [0.5305, 0.1832, 0.5568]\n", + " PeriodicSite: S (11.08, 14.47, 1.363) [0.5454, 0.7121, 0.06712]\n", + " PeriodicSite: S (11.1, 13.9, 11.3) [0.5465, 0.6845, 0.5564]\n", + " PeriodicSite: S (2.722, 2.76, 17.93) [0.134, 0.1359, 0.8827]\n", + " PeriodicSite: S (2.812, 12.69, 7.893) [0.1384, 0.6247, 0.3886]\n", + " PeriodicSite: S (12.71, 2.742, 7.535) [0.6259, 0.135, 0.371]\n", + " PeriodicSite: S (9.001, 8.584, 4.059) [0.4431, 0.4226, 0.1998]\n", + " PeriodicSite: S (9.132, 8.513, 13.82) [0.4496, 0.4191, 0.6806]\n", + " PeriodicSite: S (8.522, 19.1, 3.696) [0.4196, 0.9402, 0.182]\n", + " PeriodicSite: S (9.173, 18.66, 14.34) [0.4516, 0.9184, 0.706]\n", + " PeriodicSite: S (19.68, 9.235, 3.879) [0.9688, 0.4547, 0.191]\n", + " PeriodicSite: S (19.15, 9.15, 13.9) [0.9428, 0.4504, 0.6841]\n", + " PeriodicSite: S (18.92, 19.29, 3.874) [0.9314, 0.9495, 0.1907]\n", + " PeriodicSite: S (19.38, 19.44, 13.67) [0.954, 0.9569, 0.673]\n", + " PeriodicSite: S (3.649, 6.537, 6.791) [0.1796, 0.3218, 0.3343]\n", + " PeriodicSite: S (4.092, 6.387, 16.55) [0.2015, 0.3144, 0.8149]\n", + " PeriodicSite: S (3.864, 16.47, 6.042) [0.1902, 0.8108, 0.2975]\n", + " PeriodicSite: S (4.161, 16.51, 16.17) [0.2049, 0.8129, 0.796]\n", + " PeriodicSite: S (14.31, 6.075, 6.629) [0.7047, 0.2991, 0.3264]\n", + " PeriodicSite: S (14.4, 6.123, 16.68) [0.709, 0.3014, 0.8212]\n", + " PeriodicSite: S (13.8, 16.37, 5.967) [0.6796, 0.8061, 0.2938]\n", + " PeriodicSite: S (13.61, 15.85, 16.52) [0.6702, 0.7805, 0.8132]\n", + " PeriodicSite: S (6.314, 6.562, 4.73) [0.3109, 0.323, 0.2329]\n", + " PeriodicSite: S (6.518, 6.368, 14.22) [0.3209, 0.3135, 0.7003]\n", + " PeriodicSite: S (6.318, 16.51, 3.984) [0.3111, 0.8128, 0.1961]\n", + " PeriodicSite: S (6.321, 15.98, 13.59) [0.3112, 0.7868, 0.6692]\n", + " PeriodicSite: S (16.38, 6.461, 3.946) [0.8064, 0.3181, 0.1943]\n", + " PeriodicSite: S (16.9, 5.884, 14.26) [0.832, 0.2897, 0.7022]\n", + " PeriodicSite: S (16.4, 16.56, 3.899) [0.8075, 0.8155, 0.192]\n", + " PeriodicSite: S (15.74, 16.34, 14.02) [0.7748, 0.8045, 0.6902]\n", + " PeriodicSite: S (1.272, 8.839, 6.397) [0.0626, 0.4351, 0.3149]\n", + " PeriodicSite: S (1.503, 9.548, 16.05) [0.07401, 0.4701, 0.7902]\n", + " PeriodicSite: S (1.119, 19.17, 6.164) [0.0551, 0.9439, 0.3035]\n", + " PeriodicSite: S (1.159, 19.05, 16.3) [0.05707, 0.9377, 0.8026]\n", + " PeriodicSite: S (11.75, 8.699, 6.177) [0.5785, 0.4283, 0.3041]\n", + " PeriodicSite: S (10.77, 8.597, 16.52) [0.5305, 0.4232, 0.8135]\n", + " PeriodicSite: S (10.9, 18.98, 6.118) [0.5364, 0.9343, 0.3012]\n", + " PeriodicSite: S (11.56, 18.96, 16.58) [0.569, 0.9334, 0.8164]\n", + " PeriodicSite: S (2.481, 17.88, 1.933) [0.1221, 0.8801, 0.09517]\n", + " PeriodicSite: S (2.42, 17.62, 12.51) [0.1191, 0.8674, 0.616]\n", + " PeriodicSite: S (12.7, 7.486, 12.65) [0.6252, 0.3685, 0.6229]\n", + " PeriodicSite: S (12.69, 18.06, 2.464) [0.6248, 0.8891, 0.1213]\n", + " PeriodicSite: S (3.807, 4.257, 4.248) [0.1874, 0.2096, 0.2091]\n", + " PeriodicSite: S (3.778, 3.95, 14.25) [0.186, 0.1945, 0.7016]\n", + " PeriodicSite: S (4.124, 14.23, 3.471) [0.203, 0.7004, 0.1709]\n", + " PeriodicSite: S (3.958, 13.69, 14.31) [0.1949, 0.6742, 0.7044]\n", + " PeriodicSite: S (13.79, 4.189, 3.812) [0.6791, 0.2062, 0.1877]\n", + " PeriodicSite: S (14.06, 3.961, 14.27) [0.6922, 0.195, 0.7028]\n", + " PeriodicSite: S (14.2, 14.08, 3.62) [0.6988, 0.6931, 0.1782]\n", + " PeriodicSite: S (13.63, 13.5, 14.17) [0.671, 0.6649, 0.6975]\n", + " PeriodicSite: S (8.747, 1.292, 5.923) [0.4306, 0.06359, 0.2916]\n", + " PeriodicSite: S (8.782, 0.5981, 16.82) [0.4324, 0.02944, 0.828]\n", + " PeriodicSite: S (9.627, 11.11, 6.15) [0.4739, 0.5469, 0.3028]\n", + " PeriodicSite: S (8.8, 11.24, 15.51) [0.4332, 0.5532, 0.7636]\n", + " PeriodicSite: S (18.96, 1.227, 6.328) [0.9334, 0.06039, 0.3115]\n", + " PeriodicSite: S (19.06, 1.079, 16.48) [0.9384, 0.0531, 0.8111]\n", + " PeriodicSite: S (19.3, 11.56, 6.363) [0.95, 0.5691, 0.3133]\n", + " PeriodicSite: S (19.34, 11.61, 16.08) [0.9522, 0.5717, 0.7918]\n", + " PeriodicSite: S (1.077, 1.297, 3.729) [0.05301, 0.06385, 0.1836]\n", + " PeriodicSite: S (1.387, 1.312, 14.2) [0.06831, 0.06461, 0.6989]\n", + " PeriodicSite: S (1.593, 11.51, 4.484) [0.07841, 0.5668, 0.2207]\n", + " PeriodicSite: S (1.458, 11.55, 13.43) [0.07176, 0.5687, 0.661]\n", + " PeriodicSite: S (11.14, 1.058, 3.717) [0.5487, 0.05206, 0.183]\n", + " PeriodicSite: S (10.95, 1.162, 14.09) [0.539, 0.0572, 0.6936]\n", + " PeriodicSite: S (11.49, 10.91, 3.56) [0.5654, 0.5373, 0.1753]\n", + " PeriodicSite: S (11.45, 10.71, 13.92) [0.5638, 0.5272, 0.6854]\n", + " PeriodicSite: S (5.919, 4.004, 6.842) [0.2914, 0.1971, 0.3369]\n", + " PeriodicSite: S (6.193, 3.841, 16.63) [0.3049, 0.1891, 0.8187]\n", + " PeriodicSite: S (5.936, 13.84, 6.226) [0.2922, 0.6811, 0.3065]\n", + " PeriodicSite: S (6.455, 14.06, 16.37) [0.3178, 0.6923, 0.8059]\n", + " PeriodicSite: S (16.28, 3.596, 5.936) [0.8015, 0.177, 0.2922]\n", + " PeriodicSite: S (16.33, 3.542, 16.73) [0.8039, 0.1744, 0.8235]\n", + " PeriodicSite: S (16.22, 14.2, 6.492) [0.7987, 0.699, 0.3196]\n", + " PeriodicSite: S (16.35, 14.04, 16.22) [0.805, 0.6913, 0.7984]\n", + " PeriodicSite: S (7.389, 2.323, 12.86) [0.3638, 0.1143, 0.6332]\n", + " PeriodicSite: S (7.962, 12.89, 2.543) [0.392, 0.6345, 0.1252]\n", + " PeriodicSite: S (17.13, 2.432, 2.606) [0.8435, 0.1197, 0.1283]\n", + " PeriodicSite: S (17.95, 12.53, 2.571) [0.8838, 0.6167, 0.1266]\n", + " PeriodicSite: S (17.32, 12.92, 12.7) [0.8529, 0.6359, 0.6252]\n", + " PeriodicSite: S (4.219, 9.128, 9.25) [0.2077, 0.4494, 0.4554]\n", + " PeriodicSite: S (4.144, 9.157, 19.35) [0.204, 0.4508, 0.9527]\n", + " PeriodicSite: S (4.4, 19.37, 8.469) [0.2166, 0.9537, 0.4169]\n", + " PeriodicSite: S (4.195, 19.07, 18.89) [0.2065, 0.9391, 0.9298]\n", + " PeriodicSite: S (13.94, 9.221, 8.756) [0.6863, 0.4539, 0.4311]\n", + " PeriodicSite: S (13.72, 9.085, 19.3) [0.6753, 0.4473, 0.9504]\n", + " PeriodicSite: S (13.48, 19.49, 9.497) [0.6634, 0.9597, 0.4676]\n", + " PeriodicSite: S (13.93, 19.11, 19.1) [0.6857, 0.9407, 0.9402]\n", + " PeriodicSite: S (8.391, 6.055, 1.331) [0.4131, 0.2981, 0.06552]\n", + " PeriodicSite: S (8.474, 6.029, 10.9) [0.4172, 0.2968, 0.5365]\n", + " PeriodicSite: S (8.526, 16.63, 0.9631) [0.4198, 0.8186, 0.04742]\n", + " PeriodicSite: S (8.826, 16.24, 10.78) [0.4345, 0.7995, 0.5308]\n", + " PeriodicSite: S (18.96, 6.215, 1.699) [0.9336, 0.3059, 0.08367]\n", + " PeriodicSite: S (19.32, 6.495, 11.07) [0.9511, 0.3197, 0.5452]\n", + " PeriodicSite: S (18.95, 16.11, 0.9877) [0.9331, 0.793, 0.04863]\n", + " PeriodicSite: S (18.34, 16.45, 11.24) [0.903, 0.8098, 0.5532]\n", + " PeriodicSite: S (1.36, 5.472, 8.732) [0.06697, 0.2694, 0.4299]\n", + " PeriodicSite: S (1.131, 6.392, 19.42) [0.0557, 0.3147, 0.9561]\n", + " PeriodicSite: S (0.7069, 16.66, 9.007) [0.0348, 0.8203, 0.4434]\n", + " PeriodicSite: S (0.7582, 16.43, 18.81) [0.03732, 0.8088, 0.9261]\n", + " PeriodicSite: S (11.35, 6.126, 8.921) [0.5589, 0.3016, 0.4392]\n", + " PeriodicSite: S (11.28, 6.345, 19.69) [0.5555, 0.3124, 0.9693]\n", + " PeriodicSite: S (11.88, 16.16, 8.88) [0.5849, 0.7958, 0.4372]\n", + " PeriodicSite: S (11.17, 16.55, 19.11) [0.5497, 0.8147, 0.9409]\n", + " PeriodicSite: S (6.483, 9.37, 1.448) [0.3191, 0.4613, 0.07129]\n", + " PeriodicSite: S (6.594, 9.47, 11.68) [0.3246, 0.4662, 0.5752]\n", + " PeriodicSite: S (6.205, 19.13, 1.026) [0.3055, 0.9417, 0.05051]\n", + " PeriodicSite: S (6.547, 19.07, 11.29) [0.3223, 0.9388, 0.556]\n", + " PeriodicSite: S (16.45, 9.115, 0.8949) [0.8097, 0.4487, 0.04406]\n", + " PeriodicSite: S (16.21, 8.924, 11.25) [0.7982, 0.4393, 0.554]\n", + " PeriodicSite: S (16.24, 19.1, 1.322) [0.7996, 0.9403, 0.06511]\n", + " PeriodicSite: S (15.94, 19.27, 11.56) [0.7845, 0.9485, 0.569]\n", + " PeriodicSite: S (7.421, 7.492, 17.9) [0.3653, 0.3688, 0.8811]\n", + " PeriodicSite: S (7.691, 17.67, 7.536) [0.3786, 0.87, 0.371]\n", + " PeriodicSite: S (17.99, 7.793, 7.322) [0.8857, 0.3837, 0.3605]\n", + " PeriodicSite: S (17.44, 17.81, 7.639) [0.8586, 0.8766, 0.3761]\n", + " PeriodicSite: P (5.094, 0.003656, 20.23) [0.2508, 0.0001793, 0.996]\n", + " PeriodicSite: P (5.414, 20.19, 10.02) [0.2665, 0.9937, 0.4934]\n", + " PeriodicSite: P (5.338, 10.4, 0.1052) [0.2628, 0.5121, 0.005183]\n", + " PeriodicSite: P (5.318, 10.38, 10.45) [0.2618, 0.511, 0.5146]\n", + " PeriodicSite: P (15.15, 20.28, 20.24) [0.746, 0.9984, 0.9965]\n", + " PeriodicSite: P (14.73, 0.2559, 10.6) [0.7253, 0.01259, 0.5217]\n", + " PeriodicSite: P (15.09, 10.34, 20.24) [0.7429, 0.5089, 0.9966]\n", + " PeriodicSite: P (15.19, 10.29, 9.978) [0.7479, 0.5068, 0.4912]\n", + " PeriodicSite: P (4.975, 5.284, 5.665) [0.2449, 0.2601, 0.2789]\n", + " PeriodicSite: P (5.303, 5.105, 15.34) [0.2611, 0.2513, 0.7553]\n", + " PeriodicSite: P (5.073, 15.27, 5.025) [0.2498, 0.7517, 0.2474]\n", + " PeriodicSite: P (5.192, 15.13, 15.11) [0.2556, 0.7451, 0.7438]\n", + " PeriodicSite: P (15.12, 5.131, 5.034) [0.7446, 0.2526, 0.2478]\n", + " PeriodicSite: P (15.48, 4.878, 15.47) [0.7622, 0.2402, 0.7618]\n", + " PeriodicSite: P (15.27, 15.31, 5.001) [0.7518, 0.7538, 0.2462]\n", + " PeriodicSite: P (14.83, 14.84, 15.23) [0.7301, 0.7303, 0.7499]\n", + " PeriodicSite: P (20.22, 0.2038, 5.034) [0.9957, 0.01002, 0.2479]\n", + " PeriodicSite: P (0.04743, 0.06898, 15.16) [0.002339, 0.003397, 0.7464]\n", + " PeriodicSite: P (0.2625, 10.33, 5.361) [0.01292, 0.5086, 0.2639]\n", + " PeriodicSite: P (0.2642, 10.4, 14.71) [0.01301, 0.512, 0.7243]\n", + " PeriodicSite: P (9.845, 20.16, 4.788) [0.4847, 0.9924, 0.2357]\n", + " PeriodicSite: P (10.1, 20.11, 15.42) [0.4974, 0.9902, 0.7594]\n", + " PeriodicSite: P (10.6, 9.713, 4.919) [0.5219, 0.4782, 0.2422]\n", + " PeriodicSite: P (10.16, 9.776, 14.99) [0.5001, 0.4813, 0.7379]\n", + " PeriodicSite: P (0.003188, 5.177, 0.379) [0.0001547, 0.2549, 0.01866]\n", + " PeriodicSite: P (20.26, 4.814, 10.01) [0.9974, 0.237, 0.493]\n", + " PeriodicSite: P (20.06, 14.96, 19.88) [0.9878, 0.7366, 0.9785]\n", + " PeriodicSite: P (19.78, 15.46, 10.04) [0.9736, 0.7609, 0.4943]\n", + " PeriodicSite: P (10.03, 4.999, 0.4264) [0.4936, 0.2461, 0.021]\n", + " PeriodicSite: P (9.941, 5.003, 9.868) [0.4894, 0.2463, 0.4858]\n", + " PeriodicSite: P (9.816, 15.43, 0.0117) [0.4833, 0.7598, 0.0005799]\n", + " PeriodicSite: P (10.37, 15.08, 9.967) [0.5104, 0.7422, 0.4907],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.91, 4.311, 5.804) [0.09404, 0.2123, 0.2857]\n", + " PeriodicSite: Li (1.86, 3.537, 15.84) [0.09157, 0.1741, 0.78]\n", + " PeriodicSite: Li (0.326, 12.47, 8.422) [0.01605, 0.6138, 0.4146]\n", + " PeriodicSite: Li (0.04211, 14.61, 16.88) [0.002071, 0.719, 0.8308]\n", + " PeriodicSite: Li (14.62, 0.9819, 7.549) [0.7198, 0.04834, 0.3717]\n", + " PeriodicSite: Li (11.74, 3.57, 15.98) [0.5781, 0.1758, 0.7867]\n", + " PeriodicSite: Li (17.45, 12.19, 4.904) [0.8589, 0.6003, 0.2414]\n", + " PeriodicSite: Li (16.13, 8.172, 15.92) [0.794, 0.4023, 0.7837]\n", + " PeriodicSite: Li (2.53, 3.538, 9.797) [0.1246, 0.1742, 0.4823]\n", + " PeriodicSite: Li (1.778, 0.3517, 17.24) [0.08756, 0.01732, 0.8489]\n", + " PeriodicSite: Li (5.139, 8.023, 7.624) [0.253, 0.395, 0.3753]\n", + " PeriodicSite: Li (7.409, 9.897, 14.52) [0.3647, 0.4872, 0.7149]\n", + " PeriodicSite: Li (10.93, 4.374, 7.472) [0.538, 0.2153, 0.3678]\n", + " PeriodicSite: Li (12.94, 5.466, 1.151) [0.6371, 0.2691, 0.05669]\n", + " PeriodicSite: Li (11.54, 9.22, 12.2) [0.5679, 0.4539, 0.6006]\n", + " PeriodicSite: Li (9.661, 18.83, 18.39) [0.4756, 0.927, 0.9052]\n", + " PeriodicSite: Li (5.4, 1.473, 7.068) [0.2658, 0.0725, 0.348]\n", + " PeriodicSite: Li (4.553, 2.265, 16.42) [0.2241, 0.1115, 0.8084]\n", + " PeriodicSite: Li (4.398, 11.2, 7.516) [0.2165, 0.5512, 0.37]\n", + " PeriodicSite: Li (5.955, 12.49, 14.64) [0.2932, 0.615, 0.7205]\n", + " PeriodicSite: Li (11.56, 1.534, 10.18) [0.569, 0.07552, 0.5012]\n", + " PeriodicSite: Li (10.33, 1.812, 18.75) [0.5084, 0.08919, 0.9229]\n", + " PeriodicSite: Li (13.67, 14.72, 7.995) [0.6729, 0.7248, 0.3936]\n", + " PeriodicSite: Li (11.26, 10.33, 18.12) [0.5543, 0.5087, 0.8921]\n", + " PeriodicSite: Li (20.3, 1.647, 8.473) [0.9996, 0.08108, 0.4172]\n", + " PeriodicSite: Li (0.9242, 2.426, 19.38) [0.0455, 0.1194, 0.9539]\n", + " PeriodicSite: Li (0.6509, 13.39, 5.809) [0.03204, 0.6593, 0.286]\n", + " PeriodicSite: Li (3.362, 13.35, 19.75) [0.1655, 0.6574, 0.9726]\n", + " PeriodicSite: Li (13.15, 2.158, 5.454) [0.6476, 0.1063, 0.2685]\n", + " PeriodicSite: Li (13.35, 0.1778, 17.22) [0.6572, 0.008749, 0.8477]\n", + " PeriodicSite: Li (10.89, 11.13, 8.21) [0.5363, 0.5482, 0.4042]\n", + " PeriodicSite: Li (12.91, 15.02, 18.43) [0.6354, 0.7393, 0.9073]\n", + " PeriodicSite: Li (7.042, 0.2836, 4.282) [0.3467, 0.01396, 0.2108]\n", + " PeriodicSite: Li (2.362, 19.95, 0.9637) [0.1163, 0.9823, 0.04745]\n", + " PeriodicSite: Li (3.544, 12.95, 9.996) [0.1745, 0.6376, 0.4921]\n", + " PeriodicSite: Li (0.6235, 17.7, 14.28) [0.03069, 0.8715, 0.7032]\n", + " PeriodicSite: Li (15.08, 3.41, 8.523) [0.7424, 0.1679, 0.4196]\n", + " PeriodicSite: Li (14.81, 2.884, 18.56) [0.7291, 0.142, 0.9136]\n", + " PeriodicSite: Li (16.45, 15.38, 8.208) [0.8101, 0.7574, 0.4041]\n", + " PeriodicSite: Li (13.41, 13.75, 1.281) [0.6601, 0.6771, 0.06306]\n", + " PeriodicSite: Li (5.545, 2.415, 3.908) [0.273, 0.1189, 0.1924]\n", + " PeriodicSite: Li (4.305, 2.814, 20.1) [0.2119, 0.1386, 0.9895]\n", + " PeriodicSite: Li (3.701, 12.74, 5.21) [0.1822, 0.6271, 0.2565]\n", + " PeriodicSite: Li (19.98, 11.47, 2.275) [0.9838, 0.5648, 0.112]\n", + " PeriodicSite: Li (11.71, 0.397, 7.736) [0.5767, 0.01954, 0.3808]\n", + " PeriodicSite: Li (16.9, 0.06607, 16.65) [0.8321, 0.003246, 0.8195]\n", + " PeriodicSite: Li (14.16, 12.36, 5.871) [0.6969, 0.6085, 0.289]\n", + " PeriodicSite: Li (14.43, 11.63, 16.68) [0.7102, 0.5727, 0.8211]\n", + " PeriodicSite: Li (5.038, 12.11, 17.15) [0.248, 0.5961, 0.8442]\n", + " PeriodicSite: Li (2.056, 10.49, 8.656) [0.1012, 0.5166, 0.4261]\n", + " PeriodicSite: Li (2.777, 17.06, 20.25) [0.1367, 0.84, 0.9971]\n", + " PeriodicSite: Li (1.935, 0.08562, 8.237) [0.09527, 0.004215, 0.4055]\n", + " PeriodicSite: Li (12.6, 6.581, 4.719) [0.6204, 0.324, 0.2323]\n", + " PeriodicSite: Li (13.25, 9.238, 15.24) [0.6523, 0.4548, 0.7505]\n", + " PeriodicSite: Li (10.93, 15.02, 7.128) [0.5381, 0.7394, 0.3509]\n", + " PeriodicSite: Li (14.5, 18.32, 12.91) [0.7136, 0.9017, 0.6355]\n", + " PeriodicSite: Li (2.653, 6.151, 0.6395) [0.1306, 0.3028, 0.03148]\n", + " PeriodicSite: Li (3.407, 4.982, 12.24) [0.1677, 0.2453, 0.6026]\n", + " PeriodicSite: Li (6.369, 17.15, 20.19) [0.3135, 0.8443, 0.9942]\n", + " PeriodicSite: Li (3.943, 18.56, 14.42) [0.1941, 0.914, 0.7099]\n", + " PeriodicSite: Li (16.67, 6.303, 1.419) [0.8205, 0.3103, 0.06988]\n", + " PeriodicSite: Li (10.71, 6.011, 12.57) [0.5274, 0.2959, 0.6187]\n", + " PeriodicSite: Li (12.95, 18.53, 4.642) [0.6373, 0.9124, 0.2286]\n", + " PeriodicSite: Li (11.13, 16.95, 14.47) [0.548, 0.8345, 0.7122]\n", + " PeriodicSite: Li (2.264, 9.951, 0.3063) [0.1114, 0.4899, 0.01508]\n", + " PeriodicSite: Li (3.552, 6.261, 9.042) [0.1749, 0.3082, 0.4451]\n", + " PeriodicSite: Li (4.715, 16.82, 2.349) [0.2321, 0.8282, 0.1157]\n", + " PeriodicSite: Li (2.805, 16.04, 10.32) [0.1381, 0.7896, 0.508]\n", + " PeriodicSite: Li (12.36, 9.468, 1.305) [0.6086, 0.4661, 0.06423]\n", + " PeriodicSite: Li (12.14, 6.501, 15.35) [0.5978, 0.3201, 0.7556]\n", + " PeriodicSite: Li (12.23, 15.94, 3.576) [0.6019, 0.7849, 0.1761]\n", + " PeriodicSite: Li (13.05, 15.06, 11.72) [0.6425, 0.7414, 0.577]\n", + " PeriodicSite: Li (0.4557, 6.737, 3.865) [0.02243, 0.3316, 0.1903]\n", + " PeriodicSite: Li (17.45, 4.922, 10.85) [0.8591, 0.2423, 0.5342]\n", + " PeriodicSite: Li (1.905, 17.33, 4.553) [0.09378, 0.8533, 0.2241]\n", + " PeriodicSite: Li (0.5557, 18.18, 11.22) [0.02735, 0.8953, 0.5524]\n", + " PeriodicSite: Li (10.39, 6.413, 3.23) [0.5116, 0.3157, 0.159]\n", + " PeriodicSite: Li (14.88, 8.913, 13.02) [0.7326, 0.4388, 0.6411]\n", + " PeriodicSite: Li (12.91, 17.0, 0.268) [0.6356, 0.8369, 0.0132]\n", + " PeriodicSite: Li (9.045, 15.5, 17.09) [0.4453, 0.7632, 0.8415]\n", + " PeriodicSite: Li (5.21, 8.642, 3.431) [0.2565, 0.4254, 0.1689]\n", + " PeriodicSite: Li (2.201, 9.804, 11.93) [0.1084, 0.4827, 0.5871]\n", + " PeriodicSite: Li (0.272, 17.84, 2.112) [0.01338, 0.8785, 0.104]\n", + " PeriodicSite: Li (2.424, 20.3, 12.59) [0.1193, 0.9992, 0.6198]\n", + " PeriodicSite: Li (16.61, 10.51, 2.478) [0.8178, 0.5173, 0.122]\n", + " PeriodicSite: Li (13.73, 7.323, 10.56) [0.6758, 0.3605, 0.5201]\n", + " PeriodicSite: Li (11.91, 20.31, 1.361) [0.5863, 0.9997, 0.067]\n", + " PeriodicSite: Li (13.01, 17.43, 9.93) [0.6406, 0.8583, 0.4889]\n", + " PeriodicSite: Li (4.482, 5.887, 2.575) [0.2206, 0.2898, 0.1268]\n", + " PeriodicSite: Li (4.965, 8.893, 13.52) [0.2444, 0.4378, 0.6656]\n", + " PeriodicSite: Li (4.275, 19.4, 3.175) [0.2105, 0.955, 0.1563]\n", + " PeriodicSite: Li (1.903, 15.46, 13.05) [0.09368, 0.7609, 0.6423]\n", + " PeriodicSite: Li (14.0, 9.761, 3.562) [0.6891, 0.4806, 0.1754]\n", + " PeriodicSite: Li (14.35, 5.838, 12.76) [0.7064, 0.2874, 0.6284]\n", + " PeriodicSite: Li (14.86, 17.56, 2.43) [0.7317, 0.8643, 0.1196]\n", + " PeriodicSite: Li (18.41, 3.057, 14.76) [0.9065, 0.1505, 0.7264]\n", + " PeriodicSite: Li (9.817, 3.35, 3.632) [0.4833, 0.1649, 0.1788]\n", + " PeriodicSite: Li (9.489, 3.028, 13.39) [0.4671, 0.1491, 0.659]\n", + " PeriodicSite: Li (5.635, 11.44, 3.014) [0.2774, 0.563, 0.1484]\n", + " PeriodicSite: Li (2.503, 11.87, 15.41) [0.1232, 0.5845, 0.7585]\n", + " PeriodicSite: Li (16.92, 1.286, 4.768) [0.8332, 0.0633, 0.2348]\n", + " PeriodicSite: Li (12.66, 4.434, 10.08) [0.6232, 0.2183, 0.4965]\n", + " PeriodicSite: Li (18.28, 11.7, 0.1198) [0.8999, 0.5759, 0.005904]\n", + " PeriodicSite: Li (17.54, 10.09, 12.88) [0.8637, 0.4965, 0.6339]\n", + " PeriodicSite: Li (5.747, 18.61, 6.456) [0.2829, 0.9163, 0.3178]\n", + " PeriodicSite: Li (7.309, 1.859, 14.98) [0.3598, 0.09152, 0.7377]\n", + " PeriodicSite: Li (8.476, 11.85, 0.3992) [0.4173, 0.5834, 0.01966]\n", + " PeriodicSite: Li (8.46, 14.96, 13.33) [0.4165, 0.7365, 0.656]\n", + " PeriodicSite: Li (14.43, 0.1124, 3.055) [0.7103, 0.005525, 0.1504]\n", + " PeriodicSite: Li (20.06, 1.731, 12.04) [0.9876, 0.08521, 0.5927]\n", + " PeriodicSite: Li (19.65, 14.57, 2.542) [0.9675, 0.7172, 0.1252]\n", + " PeriodicSite: Li (17.34, 14.85, 12.24) [0.8539, 0.7311, 0.6025]\n", + " PeriodicSite: Li (8.219, 6.249, 5.585) [0.4046, 0.3076, 0.275]\n", + " PeriodicSite: Li (7.178, 20.17, 13.0) [0.3534, 0.9929, 0.6399]\n", + " PeriodicSite: Li (9.846, 12.66, 3.994) [0.4847, 0.6231, 0.1966]\n", + " PeriodicSite: Li (5.17, 14.05, 12.16) [0.2545, 0.6918, 0.5986]\n", + " PeriodicSite: Li (19.79, 2.585, 2.373) [0.9743, 0.1272, 0.1168]\n", + " PeriodicSite: Li (0.0007557, 7.096, 13.24) [3.756e-05, 0.3493, 0.6518]\n", + " PeriodicSite: Li (16.04, 13.56, 1.965) [0.7895, 0.6676, 0.09673]\n", + " PeriodicSite: Li (15.09, 12.09, 13.3) [0.743, 0.5952, 0.6549]\n", + " PeriodicSite: Li (2.613, 0.9031, 5.807) [0.1287, 0.04446, 0.2859]\n", + " PeriodicSite: Li (5.271, 1.692, 13.32) [0.2595, 0.08331, 0.6557]\n", + " PeriodicSite: Li (6.211, 13.63, 0.6761) [0.3058, 0.6712, 0.03329]\n", + " PeriodicSite: Li (8.306, 7.194, 15.54) [0.4089, 0.3542, 0.7653]\n", + " PeriodicSite: Li (17.68, 4.047, 4.291) [0.8703, 0.1992, 0.2112]\n", + " PeriodicSite: Li (16.88, 0.3265, 13.4) [0.8308, 0.01607, 0.6598]\n", + " PeriodicSite: Li (15.95, 13.84, 18.63) [0.7854, 0.6814, 0.917]\n", + " PeriodicSite: Li (18.57, 11.73, 10.58) [0.9141, 0.5775, 0.5209]\n", + " PeriodicSite: Li (6.782, 4.651, 1.1) [0.3339, 0.2289, 0.05415]\n", + " PeriodicSite: Li (5.722, 2.727, 10.54) [0.2817, 0.1342, 0.5188]\n", + " PeriodicSite: Li (8.803, 10.22, 2.646) [0.4334, 0.5031, 0.1303]\n", + " PeriodicSite: Li (8.515, 11.04, 12.0) [0.4192, 0.5437, 0.5908]\n", + " PeriodicSite: Li (15.38, 3.518, 1.86) [0.7573, 0.1732, 0.09157]\n", + " PeriodicSite: Li (14.9, 3.165, 11.74) [0.7334, 0.1558, 0.5782]\n", + " PeriodicSite: Li (0.5134, 11.61, 17.93) [0.02527, 0.5716, 0.8827]\n", + " PeriodicSite: Li (19.65, 13.2, 13.26) [0.9672, 0.6497, 0.6527]\n", + " PeriodicSite: Li (8.097, 0.4905, 1.134) [0.3986, 0.02415, 0.05585]\n", + " PeriodicSite: Li (8.12, 0.8149, 10.71) [0.3998, 0.04012, 0.5274]\n", + " PeriodicSite: Li (7.169, 12.43, 5.066) [0.353, 0.612, 0.2494]\n", + " PeriodicSite: Li (4.664, 17.06, 11.86) [0.2296, 0.8397, 0.5841]\n", + " PeriodicSite: Li (17.22, 2.992, 0.2725) [0.8478, 0.1473, 0.01342]\n", + " PeriodicSite: Li (2.54, 7.04, 15.01) [0.125, 0.3466, 0.739]\n", + " PeriodicSite: Li (4.009, 14.75, 7.781) [0.1973, 0.7262, 0.3831]\n", + " PeriodicSite: Li (15.64, 13.18, 10.19) [0.7698, 0.6488, 0.5017]\n", + " PeriodicSite: Li (14.45, 8.634, 6.379) [0.7115, 0.4251, 0.3141]\n", + " PeriodicSite: Li (5.28, 8.623, 16.93) [0.2599, 0.4245, 0.8333]\n", + " PeriodicSite: Li (7.188, 14.1, 10.05) [0.3539, 0.694, 0.4946]\n", + " PeriodicSite: Li (4.896, 15.67, 18.15) [0.241, 0.7717, 0.8933]\n", + " PeriodicSite: Li (17.37, 9.764, 7.238) [0.8549, 0.4807, 0.3563]\n", + " PeriodicSite: Li (3.409, 4.772, 18.43) [0.1679, 0.2349, 0.9073]\n", + " PeriodicSite: Li (16.58, 18.35, 5.473) [0.8163, 0.9033, 0.2695]\n", + " PeriodicSite: Li (19.64, 18.04, 17.93) [0.9668, 0.8884, 0.8829]\n", + " PeriodicSite: Li (7.34, 9.364, 5.44) [0.3613, 0.461, 0.2678]\n", + " PeriodicSite: Li (9.582, 5.937, 17.96) [0.4717, 0.2923, 0.8842]\n", + " PeriodicSite: Li (8.018, 20.08, 7.639) [0.3947, 0.9886, 0.3761]\n", + " PeriodicSite: Li (6.977, 18.46, 15.31) [0.3435, 0.909, 0.7539]\n", + " PeriodicSite: Li (18.42, 8.916, 9.431) [0.9068, 0.4389, 0.4643]\n", + " PeriodicSite: Li (17.18, 5.027, 18.44) [0.8458, 0.2475, 0.908]\n", + " PeriodicSite: Li (17.43, 20.28, 7.862) [0.8579, 0.9982, 0.387]\n", + " PeriodicSite: Li (17.29, 15.93, 15.67) [0.851, 0.7842, 0.7714]\n", + " PeriodicSite: Li (6.82, 5.258, 8.752) [0.3358, 0.2589, 0.4309]\n", + " PeriodicSite: Li (6.978, 5.259, 18.57) [0.3435, 0.2589, 0.9145]\n", + " PeriodicSite: Li (9.8, 17.99, 8.154) [0.4825, 0.8858, 0.4015]\n", + " PeriodicSite: Li (11.65, 12.62, 15.17) [0.5736, 0.6214, 0.7466]\n", + " PeriodicSite: Li (20.15, 7.75, 7.344) [0.992, 0.3815, 0.3615]\n", + " PeriodicSite: Li (19.91, 7.573, 16.33) [0.9804, 0.3728, 0.804]\n", + " PeriodicSite: Li (16.98, 17.44, 10.11) [0.8361, 0.8584, 0.4979]\n", + " PeriodicSite: Li (15.76, 17.17, 19.26) [0.7757, 0.8453, 0.9484]\n", + " PeriodicSite: Li (8.335, 8.228, 9.655) [0.4104, 0.4051, 0.4754]\n", + " PeriodicSite: Li (5.881, 7.186, 19.92) [0.2895, 0.3538, 0.9806]\n", + " PeriodicSite: Li (6.614, 17.04, 9.331) [0.3256, 0.8389, 0.4594]\n", + " PeriodicSite: Li (7.983, 14.82, 3.008) [0.393, 0.7295, 0.1481]\n", + " PeriodicSite: Li (15.79, 6.892, 8.862) [0.7773, 0.3393, 0.4363]\n", + " PeriodicSite: Li (19.05, 7.726, 19.42) [0.9377, 0.3804, 0.9563]\n", + " PeriodicSite: Li (15.03, 18.46, 7.33) [0.7399, 0.9088, 0.3609]\n", + " PeriodicSite: Li (14.8, 17.96, 16.41) [0.7284, 0.884, 0.8081]\n", + " PeriodicSite: Li (6.411, 4.562, 12.29) [0.3156, 0.2246, 0.605]\n", + " PeriodicSite: Li (7.761, 9.838, 17.98) [0.3821, 0.4843, 0.8852]\n", + " PeriodicSite: Li (9.131, 17.72, 5.4) [0.4495, 0.8722, 0.2658]\n", + " PeriodicSite: Li (10.29, 17.63, 2.352) [0.5067, 0.8678, 0.1158]\n", + " PeriodicSite: Li (17.45, 8.01, 5.107) [0.8591, 0.3943, 0.2514]\n", + " PeriodicSite: Li (15.11, 7.588, 19.32) [0.7441, 0.3736, 0.9511]\n", + " PeriodicSite: Li (19.43, 18.15, 7.854) [0.9565, 0.8933, 0.3867]\n", + " PeriodicSite: Li (18.13, 0.2886, 1.186) [0.8928, 0.0142, 0.05838]\n", + " PeriodicSite: Li (2.951, 9.555, 4.498) [0.1453, 0.4704, 0.2215]\n", + " PeriodicSite: Li (9.452, 8.023, 19.98) [0.4653, 0.395, 0.9838]\n", + " PeriodicSite: Li (8.309, 15.37, 6.492) [0.4091, 0.7566, 0.3196]\n", + " PeriodicSite: Li (5.987, 19.65, 17.52) [0.2947, 0.9673, 0.8623]\n", + " PeriodicSite: Li (18.33, 5.502, 7.346) [0.9022, 0.2709, 0.3617]\n", + " PeriodicSite: Li (17.15, 12.14, 15.24) [0.8442, 0.5975, 0.7502]\n", + " PeriodicSite: Li (2.209, 15.38, 2.458) [0.1087, 0.7572, 0.121]\n", + " PeriodicSite: Li (13.76, 0.9357, 14.07) [0.6772, 0.04606, 0.6927]\n", + " PeriodicSite: Cl (7.457, 13.02, 12.37) [0.3671, 0.6408, 0.6091]\n", + " PeriodicSite: Cl (2.833, 12.87, 17.5) [0.1395, 0.6335, 0.8617]\n", + " PeriodicSite: Cl (12.52, 17.43, 12.51) [0.6165, 0.8581, 0.6157]\n", + " PeriodicSite: Cl (17.84, 7.618, 17.64) [0.8782, 0.375, 0.8686]\n", + " PeriodicSite: Cl (7.541, 2.203, 2.625) [0.3713, 0.1085, 0.1292]\n", + " PeriodicSite: Cl (7.267, 7.463, 7.76) [0.3577, 0.3674, 0.382]\n", + " PeriodicSite: Cl (12.54, 12.47, 7.129) [0.6176, 0.6141, 0.351]\n", + " PeriodicSite: Cl (2.785, 7.831, 2.756) [0.1371, 0.3855, 0.1357]\n", + " PeriodicSite: Cl (3.005, 7.737, 12.83) [0.148, 0.3809, 0.6315]\n", + " PeriodicSite: Cl (12.25, 12.58, 17.53) [0.6029, 0.6193, 0.8632]\n", + " PeriodicSite: Cl (17.15, 17.75, 17.3) [0.8441, 0.8739, 0.8516]\n", + " PeriodicSite: Cl (2.55, 2.263, 7.732) [0.1255, 0.1114, 0.3807]\n", + " PeriodicSite: Cl (12.7, 2.289, 18.17) [0.6254, 0.1127, 0.8944]\n", + " PeriodicSite: Cl (12.68, 7.407, 2.552) [0.6242, 0.3647, 0.1257]\n", + " PeriodicSite: Cl (17.36, 2.648, 12.84) [0.8548, 0.1303, 0.6321]\n", + " PeriodicSite: Cl (7.397, 17.43, 17.7) [0.3642, 0.8583, 0.8715]\n", + " PeriodicSite: Cl (0.2341, 0.02214, 20.31) [0.01153, 0.001091, 0.9997]\n", + " PeriodicSite: Cl (0.3694, 0.2265, 10.17) [0.01819, 0.01115, 0.5005]\n", + " PeriodicSite: Cl (0.08305, 10.27, 19.73) [0.004089, 0.5056, 0.9711]\n", + " PeriodicSite: Cl (0.04134, 10.43, 9.871) [0.002033, 0.5132, 0.486]\n", + " PeriodicSite: Cl (10.08, 20.17, 0.04813) [0.4962, 0.9928, 0.002374]\n", + " PeriodicSite: Cl (9.838, 20.11, 9.18) [0.4843, 0.9899, 0.4519]\n", + " PeriodicSite: Cl (10.01, 10.09, 0.105) [0.4926, 0.4969, 0.005172]\n", + " PeriodicSite: Cl (10.03, 10.1, 10.32) [0.494, 0.4971, 0.508]\n", + " PeriodicSite: Cl (20.12, 5.317, 5.576) [0.9907, 0.2617, 0.2745]\n", + " PeriodicSite: Cl (0.6052, 5.671, 15.06) [0.0298, 0.2792, 0.7415]\n", + " PeriodicSite: Cl (0.531, 15.38, 4.328) [0.02613, 0.757, 0.2131]\n", + " PeriodicSite: Cl (20.13, 15.24, 14.81) [0.991, 0.7504, 0.7291]\n", + " PeriodicSite: Cl (10.39, 5.168, 5.346) [0.5116, 0.2544, 0.2632]\n", + " PeriodicSite: Cl (10.06, 4.938, 15.46) [0.4951, 0.2431, 0.761]\n", + " PeriodicSite: Cl (10.02, 15.23, 4.958) [0.4932, 0.75, 0.2441]\n", + " PeriodicSite: Cl (10.1, 14.94, 14.85) [0.4971, 0.7356, 0.7313]\n", + " PeriodicSite: S (4.853, 0.3326, 5.035) [0.2389, 0.01637, 0.2479]\n", + " PeriodicSite: S (5.378, 20.3, 15.15) [0.2648, 0.9996, 0.7457]\n", + " PeriodicSite: S (5.331, 10.44, 5.047) [0.2624, 0.514, 0.2485]\n", + " PeriodicSite: S (5.288, 10.46, 15.52) [0.2603, 0.5151, 0.7641]\n", + " PeriodicSite: S (14.6, 0.117, 5.492) [0.7186, 0.005755, 0.2704]\n", + " PeriodicSite: S (15.03, 19.71, 15.02) [0.7398, 0.9704, 0.7395]\n", + " PeriodicSite: S (15.9, 10.08, 5.217) [0.7829, 0.4961, 0.2568]\n", + " PeriodicSite: S (15.37, 10.25, 14.9) [0.7567, 0.5047, 0.7335]\n", + " PeriodicSite: S (4.799, 5.428, 0.1541) [0.2363, 0.2672, 0.00759]\n", + " PeriodicSite: S (4.872, 4.87, 10.37) [0.2398, 0.2398, 0.5103]\n", + " PeriodicSite: S (4.544, 15.44, 0.02656) [0.2237, 0.7603, 0.00131]\n", + " PeriodicSite: S (4.926, 15.14, 10.03) [0.2425, 0.7452, 0.4938]\n", + " PeriodicSite: S (15.42, 4.949, 20.08) [0.7591, 0.2436, 0.9884]\n", + " PeriodicSite: S (15.01, 5.25, 10.34) [0.7387, 0.2585, 0.5088]\n", + " PeriodicSite: S (14.92, 15.17, 0.01131) [0.7344, 0.7468, 0.0005619]\n", + " PeriodicSite: S (14.86, 15.44, 9.814) [0.7316, 0.7604, 0.4832]\n", + " PeriodicSite: S (9.024, 3.645, 8.797) [0.4443, 0.1794, 0.4331]\n", + " PeriodicSite: S (8.71, 3.893, 19.52) [0.4288, 0.1917, 0.9608]\n", + " PeriodicSite: S (9.654, 13.76, 8.281) [0.4753, 0.6775, 0.4077]\n", + " PeriodicSite: S (9.111, 13.76, 19.16) [0.4486, 0.6776, 0.9432]\n", + " PeriodicSite: S (19.06, 3.771, 9.236) [0.9382, 0.1857, 0.4547]\n", + " PeriodicSite: S (19.12, 3.811, 19.5) [0.9412, 0.1876, 0.96]\n", + " PeriodicSite: S (18.98, 14.18, 8.97) [0.9345, 0.698, 0.4416]\n", + " PeriodicSite: S (18.95, 13.8, 18.9) [0.933, 0.6796, 0.9306]\n", + " PeriodicSite: S (3.914, 1.261, 1.598) [0.1927, 0.06208, 0.07866]\n", + " PeriodicSite: S (3.919, 1.132, 11.18) [0.1929, 0.05575, 0.5505]\n", + " PeriodicSite: S (3.98, 11.49, 1.306) [0.1959, 0.5656, 0.06428]\n", + " PeriodicSite: S (4.02, 11.37, 11.6) [0.1979, 0.5599, 0.5713]\n", + " PeriodicSite: S (14.07, 1.306, 1.044) [0.6928, 0.06429, 0.05139]\n", + " PeriodicSite: S (13.55, 1.165, 11.54) [0.6673, 0.05733, 0.568]\n", + " PeriodicSite: S (14.47, 11.24, 1.608) [0.7126, 0.5535, 0.07919]\n", + " PeriodicSite: S (13.91, 11.22, 11.14) [0.6849, 0.5523, 0.5486]\n", + " PeriodicSite: S (6.385, 1.226, 9.015) [0.3144, 0.06035, 0.4438]\n", + " PeriodicSite: S (6.287, 0.9773, 19.58) [0.3095, 0.04811, 0.964]\n", + " PeriodicSite: S (6.181, 11.71, 9.096) [0.3043, 0.5763, 0.4478]\n", + " PeriodicSite: S (6.195, 11.52, 19.36) [0.305, 0.5669, 0.953]\n", + " PeriodicSite: S (16.16, 1.422, 9.309) [0.7953, 0.07001, 0.4583]\n", + " PeriodicSite: S (16.21, 1.077, 18.76) [0.7981, 0.053, 0.9234]\n", + " PeriodicSite: S (16.6, 11.52, 9.012) [0.8172, 0.5671, 0.4437]\n", + " PeriodicSite: S (16.25, 11.51, 19.1) [0.7999, 0.5665, 0.9406]\n", + " PeriodicSite: S (1.35, 4.239, 1.45) [0.06647, 0.2087, 0.07137]\n", + " PeriodicSite: S (1.144, 3.974, 11.68) [0.05632, 0.1956, 0.575]\n", + " PeriodicSite: S (1.103, 13.96, 0.8238) [0.05429, 0.6872, 0.04056]\n", + " PeriodicSite: S (1.096, 13.92, 11.05) [0.05394, 0.6854, 0.5441]\n", + " PeriodicSite: S (10.97, 4.131, 1.561) [0.5398, 0.2034, 0.07685]\n", + " PeriodicSite: S (10.96, 3.78, 11.59) [0.5396, 0.1861, 0.5704]\n", + " PeriodicSite: S (11.0, 14.43, 1.44) [0.5413, 0.7102, 0.07088]\n", + " PeriodicSite: S (11.0, 13.61, 11.15) [0.5414, 0.6699, 0.5489]\n", + " PeriodicSite: S (2.679, 2.626, 17.93) [0.1319, 0.1293, 0.8825]\n", + " PeriodicSite: S (2.603, 12.72, 7.735) [0.1281, 0.6262, 0.3808]\n", + " PeriodicSite: S (12.75, 2.536, 7.91) [0.6278, 0.1249, 0.3894]\n", + " PeriodicSite: S (9.325, 8.297, 4.337) [0.4591, 0.4085, 0.2135]\n", + " PeriodicSite: S (9.357, 8.609, 13.75) [0.4606, 0.4238, 0.6767]\n", + " PeriodicSite: S (9.139, 19.47, 3.54) [0.4499, 0.9585, 0.1743]\n", + " PeriodicSite: S (9.194, 19.08, 14.19) [0.4526, 0.9394, 0.6985]\n", + " PeriodicSite: S (19.57, 9.014, 4.167) [0.9633, 0.4438, 0.2052]\n", + " PeriodicSite: S (19.15, 8.915, 14.18) [0.943, 0.4389, 0.6979]\n", + " PeriodicSite: S (18.95, 19.02, 3.888) [0.9328, 0.9362, 0.1914]\n", + " PeriodicSite: S (19.29, 19.78, 13.5) [0.9496, 0.974, 0.6645]\n", + " PeriodicSite: S (3.509, 6.392, 6.618) [0.1727, 0.3147, 0.3258]\n", + " PeriodicSite: S (4.137, 6.178, 16.68) [0.2037, 0.3042, 0.821]\n", + " PeriodicSite: S (3.773, 16.6, 5.99) [0.1858, 0.8171, 0.2949]\n", + " PeriodicSite: S (4.269, 16.88, 16.17) [0.2102, 0.831, 0.7959]\n", + " PeriodicSite: S (14.31, 6.266, 6.627) [0.7047, 0.3085, 0.3263]\n", + " PeriodicSite: S (14.22, 6.38, 16.72) [0.6999, 0.3141, 0.8232]\n", + " PeriodicSite: S (13.69, 16.54, 6.149) [0.6741, 0.8141, 0.3027]\n", + " PeriodicSite: S (13.45, 16.1, 16.4) [0.6621, 0.7926, 0.8071]\n", + " PeriodicSite: S (6.114, 6.419, 4.379) [0.301, 0.316, 0.2156]\n", + " PeriodicSite: S (6.356, 6.496, 14.07) [0.3129, 0.3198, 0.6928]\n", + " PeriodicSite: S (6.612, 16.67, 4.204) [0.3255, 0.8208, 0.207]\n", + " PeriodicSite: S (6.281, 16.51, 13.7) [0.3092, 0.8126, 0.6744]\n", + " PeriodicSite: S (16.62, 6.037, 3.757) [0.8182, 0.2972, 0.185]\n", + " PeriodicSite: S (16.29, 6.348, 14.21) [0.8018, 0.3125, 0.6997]\n", + " PeriodicSite: S (16.48, 16.54, 4.124) [0.8113, 0.8142, 0.2031]\n", + " PeriodicSite: S (15.72, 16.24, 14.01) [0.7739, 0.7993, 0.6899]\n", + " PeriodicSite: S (1.643, 9.28, 6.441) [0.0809, 0.4569, 0.3171]\n", + " PeriodicSite: S (1.409, 9.196, 16.22) [0.06935, 0.4527, 0.7985]\n", + " PeriodicSite: S (1.158, 19.21, 6.414) [0.057, 0.9459, 0.3158]\n", + " PeriodicSite: S (0.768, 18.94, 16.22) [0.0378, 0.9326, 0.7986]\n", + " PeriodicSite: S (11.73, 9.044, 6.423) [0.5774, 0.4452, 0.3162]\n", + " PeriodicSite: S (11.24, 8.638, 16.42) [0.5534, 0.4253, 0.8084]\n", + " PeriodicSite: S (11.21, 19.12, 6.074) [0.5517, 0.9415, 0.299]\n", + " PeriodicSite: S (11.4, 18.92, 16.82) [0.5613, 0.9315, 0.8281]\n", + " PeriodicSite: S (2.437, 17.75, 2.213) [0.12, 0.8737, 0.1089]\n", + " PeriodicSite: S (2.404, 17.7, 12.81) [0.1183, 0.8713, 0.6308]\n", + " PeriodicSite: S (12.61, 7.481, 13.17) [0.621, 0.3683, 0.6485]\n", + " PeriodicSite: S (12.63, 18.26, 2.464) [0.6219, 0.8992, 0.1213]\n", + " PeriodicSite: S (3.72, 4.166, 4.269) [0.1832, 0.2051, 0.2102]\n", + " PeriodicSite: S (4.089, 3.769, 14.29) [0.2013, 0.1856, 0.7036]\n", + " PeriodicSite: S (4.285, 14.3, 3.569) [0.2109, 0.704, 0.1757]\n", + " PeriodicSite: S (4.001, 14.1, 14.05) [0.197, 0.6941, 0.6915]\n", + " PeriodicSite: S (13.6, 4.313, 4.058) [0.6697, 0.2123, 0.1998]\n", + " PeriodicSite: S (13.81, 4.035, 14.34) [0.6801, 0.1986, 0.7061]\n", + " PeriodicSite: S (13.92, 14.18, 3.717) [0.6855, 0.6979, 0.183]\n", + " PeriodicSite: S (13.68, 13.71, 14.01) [0.6733, 0.6751, 0.6898]\n", + " PeriodicSite: S (8.828, 1.214, 5.878) [0.4346, 0.05978, 0.2894]\n", + " PeriodicSite: S (8.907, 0.8637, 16.88) [0.4385, 0.04252, 0.8312]\n", + " PeriodicSite: S (9.183, 11.17, 6.19) [0.4521, 0.5501, 0.3048]\n", + " PeriodicSite: S (8.883, 11.14, 15.79) [0.4373, 0.5483, 0.7774]\n", + " PeriodicSite: S (18.82, 1.125, 6.406) [0.9267, 0.05537, 0.3154]\n", + " PeriodicSite: S (19.2, 1.409, 16.21) [0.9452, 0.06935, 0.7979]\n", + " PeriodicSite: S (19.37, 11.41, 6.542) [0.9537, 0.5617, 0.3221]\n", + " PeriodicSite: S (19.57, 11.86, 15.93) [0.9635, 0.584, 0.7843]\n", + " PeriodicSite: S (0.7831, 1.339, 4.27) [0.03855, 0.0659, 0.2102]\n", + " PeriodicSite: S (1.585, 1.364, 14.26) [0.07801, 0.06717, 0.7018]\n", + " PeriodicSite: S (1.487, 11.4, 4.09) [0.07318, 0.5614, 0.2014]\n", + " PeriodicSite: S (0.9379, 11.38, 13.42) [0.04617, 0.5603, 0.6608]\n", + " PeriodicSite: S (11.56, 1.457, 3.778) [0.5691, 0.07174, 0.186]\n", + " PeriodicSite: S (11.37, 1.286, 14.65) [0.5598, 0.06332, 0.7212]\n", + " PeriodicSite: S (11.39, 10.79, 3.5) [0.5608, 0.531, 0.1723]\n", + " PeriodicSite: S (11.65, 10.75, 13.82) [0.5738, 0.5292, 0.6805]\n", + " PeriodicSite: S (6.152, 4.023, 6.638) [0.3029, 0.198, 0.3268]\n", + " PeriodicSite: S (6.559, 4.014, 16.32) [0.3229, 0.1976, 0.8034]\n", + " PeriodicSite: S (6.033, 14.3, 6.366) [0.297, 0.7038, 0.3134]\n", + " PeriodicSite: S (6.38, 14.28, 16.29) [0.3141, 0.7033, 0.802]\n", + " PeriodicSite: S (16.2, 3.685, 6.202) [0.7973, 0.1814, 0.3053]\n", + " PeriodicSite: S (16.37, 3.679, 16.37) [0.8059, 0.1811, 0.8058]\n", + " PeriodicSite: S (16.06, 13.92, 6.268) [0.7904, 0.6852, 0.3086]\n", + " PeriodicSite: S (16.09, 13.99, 16.28) [0.7921, 0.6889, 0.8013]\n", + " PeriodicSite: S (7.465, 2.202, 12.6) [0.3675, 0.1084, 0.6202]\n", + " PeriodicSite: S (7.806, 12.35, 2.84) [0.3843, 0.6082, 0.1398]\n", + " PeriodicSite: S (17.71, 2.455, 2.501) [0.8717, 0.1208, 0.1231]\n", + " PeriodicSite: S (18.0, 12.34, 2.403) [0.8862, 0.6073, 0.1183]\n", + " PeriodicSite: S (17.33, 12.46, 12.55) [0.8533, 0.6134, 0.6178]\n", + " PeriodicSite: S (4.011, 9.15, 9.34) [0.1975, 0.4505, 0.4598]\n", + " PeriodicSite: S (4.009, 8.963, 19.65) [0.1974, 0.4413, 0.9672]\n", + " PeriodicSite: S (4.15, 19.4, 8.383) [0.2043, 0.9551, 0.4127]\n", + " PeriodicSite: S (3.912, 19.24, 19.34) [0.1926, 0.9474, 0.952]\n", + " PeriodicSite: S (14.02, 9.104, 8.89) [0.6902, 0.4482, 0.4377]\n", + " PeriodicSite: S (13.42, 9.105, 19.41) [0.6606, 0.4483, 0.9554]\n", + " PeriodicSite: S (13.79, 19.22, 9.05) [0.6791, 0.9464, 0.4455]\n", + " PeriodicSite: S (13.88, 19.1, 19.08) [0.6831, 0.9405, 0.9392]\n", + " PeriodicSite: S (8.623, 6.487, 1.456) [0.4245, 0.3193, 0.07168]\n", + " PeriodicSite: S (8.62, 6.192, 11.03) [0.4244, 0.3048, 0.5429]\n", + " PeriodicSite: S (8.543, 16.47, 1.142) [0.4206, 0.8108, 0.05622]\n", + " PeriodicSite: S (8.666, 16.07, 10.78) [0.4266, 0.7912, 0.5307]\n", + " PeriodicSite: S (19.31, 6.597, 1.442) [0.9505, 0.3248, 0.07102]\n", + " PeriodicSite: S (19.43, 6.582, 11.09) [0.9568, 0.324, 0.5458]\n", + " PeriodicSite: S (18.87, 16.45, 0.7808) [0.9291, 0.81, 0.03844]\n", + " PeriodicSite: S (18.96, 16.59, 11.35) [0.9334, 0.8167, 0.5589]\n", + " PeriodicSite: S (1.476, 5.523, 8.743) [0.07266, 0.2719, 0.4304]\n", + " PeriodicSite: S (0.9991, 6.556, 19.25) [0.04919, 0.3228, 0.9477]\n", + " PeriodicSite: S (0.9864, 16.93, 9.187) [0.04856, 0.8335, 0.4523]\n", + " PeriodicSite: S (0.9194, 16.26, 18.62) [0.04526, 0.8005, 0.9168]\n", + " PeriodicSite: S (11.34, 6.088, 9.133) [0.5582, 0.2997, 0.4496]\n", + " PeriodicSite: S (11.03, 6.364, 19.59) [0.5429, 0.3133, 0.9643]\n", + " PeriodicSite: S (11.54, 16.14, 8.945) [0.5682, 0.7948, 0.4404]\n", + " PeriodicSite: S (10.94, 16.45, 19.21) [0.5386, 0.8097, 0.9457]\n", + " PeriodicSite: S (6.68, 9.198, 1.273) [0.3289, 0.4528, 0.06266]\n", + " PeriodicSite: S (6.479, 9.262, 11.64) [0.319, 0.456, 0.5733]\n", + " PeriodicSite: S (6.15, 18.92, 1.586) [0.3028, 0.9316, 0.07809]\n", + " PeriodicSite: S (6.218, 19.02, 11.0) [0.3061, 0.9363, 0.5417]\n", + " PeriodicSite: S (16.31, 8.922, 0.6815) [0.8029, 0.4393, 0.03356]\n", + " PeriodicSite: S (16.47, 8.739, 11.1) [0.8107, 0.4302, 0.5464]\n", + " PeriodicSite: S (16.34, 18.97, 0.9743) [0.8043, 0.9337, 0.04797]\n", + " PeriodicSite: S (15.97, 19.15, 11.48) [0.7864, 0.9425, 0.5652]\n", + " PeriodicSite: S (7.699, 7.55, 18.02) [0.379, 0.3717, 0.8869]\n", + " PeriodicSite: S (7.83, 17.62, 7.282) [0.3855, 0.8672, 0.3585]\n", + " PeriodicSite: S (17.89, 7.529, 7.634) [0.8807, 0.3706, 0.3758]\n", + " PeriodicSite: S (17.2, 18.18, 7.847) [0.8466, 0.8952, 0.3863]\n", + " PeriodicSite: P (5.061, 20.25, 0.3748) [0.2491, 0.9971, 0.01845]\n", + " PeriodicSite: P (5.047, 20.28, 9.812) [0.2485, 0.9985, 0.4831]\n", + " PeriodicSite: P (5.246, 10.28, 0.3619) [0.2583, 0.506, 0.01782]\n", + " PeriodicSite: P (5.346, 10.48, 10.35) [0.2632, 0.516, 0.5096]\n", + " PeriodicSite: P (15.11, 0.02304, 20.16) [0.7438, 0.001129, 0.9926]\n", + " PeriodicSite: P (14.88, 0.17, 10.32) [0.7325, 0.008364, 0.5083]\n", + " PeriodicSite: P (15.0, 10.31, 20.18) [0.7383, 0.5076, 0.9934]\n", + " PeriodicSite: P (15.29, 10.13, 10.03) [0.7529, 0.4986, 0.4939]\n", + " PeriodicSite: P (4.863, 5.208, 5.657) [0.2394, 0.2564, 0.2785]\n", + " PeriodicSite: P (5.232, 5.24, 15.29) [0.2576, 0.258, 0.7527]\n", + " PeriodicSite: P (5.17, 15.5, 4.913) [0.2545, 0.7632, 0.2419]\n", + " PeriodicSite: P (5.236, 15.44, 15.06) [0.2578, 0.7603, 0.7415]\n", + " PeriodicSite: P (15.14, 5.101, 5.118) [0.7456, 0.2511, 0.252]\n", + " PeriodicSite: P (15.23, 5.122, 15.43) [0.7498, 0.2521, 0.7599]\n", + " PeriodicSite: P (15.0, 15.27, 5.083) [0.7386, 0.752, 0.2503]\n", + " PeriodicSite: P (14.59, 15.05, 15.12) [0.7181, 0.7409, 0.7446]\n", + " PeriodicSite: P (20.06, 20.18, 5.208) [0.9877, 0.9937, 0.2564]\n", + " PeriodicSite: P (0.007483, 0.2698, 15.09) [0.0003724, 0.01329, 0.743]\n", + " PeriodicSite: P (0.3385, 10.26, 5.342) [0.01666, 0.505, 0.263]\n", + " PeriodicSite: P (0.1175, 10.33, 14.95) [0.005783, 0.5083, 0.7362]\n", + " PeriodicSite: P (10.31, 0.193, 4.822) [0.5075, 0.009499, 0.2374]\n", + " PeriodicSite: P (10.26, 20.11, 15.71) [0.5049, 0.9902, 0.7734]\n", + " PeriodicSite: P (10.4, 9.86, 5.151) [0.5121, 0.4854, 0.2536]\n", + " PeriodicSite: P (10.22, 9.854, 15.04) [0.5034, 0.4851, 0.7403]\n", + " PeriodicSite: P (20.27, 5.307, 0.2332) [0.9978, 0.2612, 0.01149]\n", + " PeriodicSite: P (0.1574, 5.156, 10.2) [0.00775, 0.2538, 0.502]\n", + " PeriodicSite: P (20.07, 15.24, 20.04) [0.9878, 0.7503, 0.9865]\n", + " PeriodicSite: P (20.16, 15.33, 10.13) [0.9927, 0.7546, 0.4989]\n", + " PeriodicSite: P (9.722, 5.245, 0.3968) [0.4786, 0.2582, 0.01954]\n", + " PeriodicSite: P (9.92, 4.972, 10.08) [0.4884, 0.2448, 0.4963]\n", + " PeriodicSite: P (9.858, 15.23, 0.01866) [0.4853, 0.7496, 0.0009228]\n", + " PeriodicSite: P (10.16, 14.98, 9.907) [0.5004, 0.7374, 0.4877],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.887, 4.907, 6.649) [0.0929, 0.2416, 0.3274]\n", + " PeriodicSite: Li (1.935, 3.288, 15.77) [0.09526, 0.1619, 0.7762]\n", + " PeriodicSite: Li (0.3874, 13.12, 8.409) [0.01907, 0.6457, 0.414]\n", + " PeriodicSite: Li (0.4857, 14.08, 16.67) [0.02391, 0.6933, 0.8208]\n", + " PeriodicSite: Li (14.65, 0.9777, 7.365) [0.7214, 0.04813, 0.3626]\n", + " PeriodicSite: Li (12.35, 3.302, 16.19) [0.6081, 0.1626, 0.797]\n", + " PeriodicSite: Li (17.29, 12.09, 4.579) [0.8513, 0.5953, 0.2254]\n", + " PeriodicSite: Li (16.46, 8.666, 16.51) [0.8101, 0.4267, 0.8127]\n", + " PeriodicSite: Li (3.46, 3.573, 9.457) [0.1704, 0.1759, 0.4656]\n", + " PeriodicSite: Li (2.241, 0.2214, 17.72) [0.1103, 0.0109, 0.8721]\n", + " PeriodicSite: Li (4.961, 8.303, 6.549) [0.2442, 0.4088, 0.3224]\n", + " PeriodicSite: Li (7.377, 9.991, 15.62) [0.3632, 0.4918, 0.7688]\n", + " PeriodicSite: Li (10.57, 3.84, 7.4) [0.5205, 0.189, 0.3643]\n", + " PeriodicSite: Li (13.0, 5.169, 0.2482) [0.6401, 0.2545, 0.01223]\n", + " PeriodicSite: Li (11.7, 9.868, 12.18) [0.576, 0.4858, 0.5996]\n", + " PeriodicSite: Li (9.898, 18.59, 18.39) [0.4873, 0.9152, 0.9055]\n", + " PeriodicSite: Li (5.174, 1.977, 6.759) [0.2547, 0.09734, 0.3328]\n", + " PeriodicSite: Li (4.86, 2.03, 16.75) [0.2393, 0.09996, 0.8245]\n", + " PeriodicSite: Li (4.543, 11.36, 7.545) [0.2237, 0.5591, 0.3715]\n", + " PeriodicSite: Li (5.791, 12.25, 14.3) [0.2851, 0.603, 0.7038]\n", + " PeriodicSite: Li (11.59, 1.883, 10.26) [0.5707, 0.0927, 0.5052]\n", + " PeriodicSite: Li (10.12, 2.202, 18.74) [0.4985, 0.1084, 0.9224]\n", + " PeriodicSite: Li (13.64, 14.53, 8.352) [0.6717, 0.7153, 0.4112]\n", + " PeriodicSite: Li (11.71, 10.7, 18.5) [0.5765, 0.5267, 0.9106]\n", + " PeriodicSite: Li (19.46, 1.602, 8.645) [0.9581, 0.07884, 0.4256]\n", + " PeriodicSite: Li (1.121, 2.872, 19.27) [0.05517, 0.1414, 0.9485]\n", + " PeriodicSite: Li (0.9568, 13.08, 5.787) [0.0471, 0.6439, 0.2849]\n", + " PeriodicSite: Li (2.851, 14.65, 19.47) [0.1404, 0.7214, 0.9584]\n", + " PeriodicSite: Li (13.33, 2.183, 5.613) [0.6565, 0.1075, 0.2764]\n", + " PeriodicSite: Li (13.42, 20.24, 16.66) [0.6605, 0.9962, 0.8201]\n", + " PeriodicSite: Li (10.17, 11.56, 8.313) [0.5008, 0.5689, 0.4093]\n", + " PeriodicSite: Li (13.22, 15.23, 18.2) [0.6507, 0.7497, 0.896]\n", + " PeriodicSite: Li (7.38, 0.8469, 4.425) [0.3634, 0.04169, 0.2179]\n", + " PeriodicSite: Li (1.808, 19.98, 1.435) [0.08899, 0.9839, 0.07065]\n", + " PeriodicSite: Li (3.202, 13.37, 9.689) [0.1576, 0.6584, 0.477]\n", + " PeriodicSite: Li (0.5723, 18.03, 13.93) [0.02817, 0.8878, 0.6858]\n", + " PeriodicSite: Li (14.59, 4.085, 8.454) [0.7181, 0.2011, 0.4162]\n", + " PeriodicSite: Li (14.96, 2.973, 18.51) [0.7365, 0.1464, 0.9113]\n", + " PeriodicSite: Li (16.63, 15.15, 8.241) [0.8187, 0.7458, 0.4057]\n", + " PeriodicSite: Li (13.36, 13.65, 1.086) [0.6578, 0.6718, 0.05345]\n", + " PeriodicSite: Li (4.925, 1.811, 3.501) [0.2425, 0.08915, 0.1723]\n", + " PeriodicSite: Li (4.391, 2.569, 20.05) [0.2162, 0.1265, 0.9871]\n", + " PeriodicSite: Li (3.793, 12.22, 5.074) [0.1867, 0.6018, 0.2498]\n", + " PeriodicSite: Li (19.81, 11.32, 2.528) [0.9753, 0.5575, 0.1245]\n", + " PeriodicSite: Li (11.51, 0.409, 7.776) [0.5666, 0.02013, 0.3828]\n", + " PeriodicSite: Li (17.13, 0.3468, 16.98) [0.8436, 0.01707, 0.8358]\n", + " PeriodicSite: Li (14.35, 12.19, 5.502) [0.7063, 0.6001, 0.2709]\n", + " PeriodicSite: Li (14.62, 11.58, 16.62) [0.7199, 0.57, 0.8181]\n", + " PeriodicSite: Li (5.035, 11.95, 17.13) [0.2479, 0.5884, 0.8435]\n", + " PeriodicSite: Li (1.771, 10.72, 8.088) [0.08717, 0.528, 0.3982]\n", + " PeriodicSite: Li (3.112, 17.19, 0.2296) [0.1532, 0.8462, 0.0113]\n", + " PeriodicSite: Li (2.502, 0.55, 9.07) [0.1232, 0.02708, 0.4465]\n", + " PeriodicSite: Li (12.2, 6.275, 5.548) [0.6007, 0.3089, 0.2731]\n", + " PeriodicSite: Li (13.2, 9.755, 15.02) [0.6498, 0.4802, 0.7394]\n", + " PeriodicSite: Li (10.84, 14.38, 6.688) [0.5336, 0.7079, 0.3293]\n", + " PeriodicSite: Li (14.4, 18.18, 13.53) [0.7091, 0.895, 0.6663]\n", + " PeriodicSite: Li (3.184, 6.876, 0.2002) [0.1567, 0.3385, 0.009858]\n", + " PeriodicSite: Li (3.702, 5.357, 12.36) [0.1823, 0.2637, 0.6086]\n", + " PeriodicSite: Li (6.646, 16.95, 0.1819) [0.3272, 0.8343, 0.008957]\n", + " PeriodicSite: Li (4.052, 18.61, 14.48) [0.1995, 0.916, 0.7129]\n", + " PeriodicSite: Li (16.49, 6.098, 1.682) [0.8119, 0.3002, 0.08282]\n", + " PeriodicSite: Li (10.42, 7.138, 13.02) [0.5131, 0.3514, 0.6412]\n", + " PeriodicSite: Li (13.21, 18.35, 4.874) [0.6504, 0.9035, 0.2399]\n", + " PeriodicSite: Li (11.23, 17.64, 14.31) [0.5528, 0.8682, 0.7044]\n", + " PeriodicSite: Li (2.204, 9.83, 0.05827) [0.1085, 0.4839, 0.00287]\n", + " PeriodicSite: Li (4.3, 6.985, 9.936) [0.2117, 0.3439, 0.4891]\n", + " PeriodicSite: Li (4.611, 16.44, 2.146) [0.227, 0.8094, 0.1056]\n", + " PeriodicSite: Li (2.763, 16.42, 10.57) [0.136, 0.8082, 0.5203]\n", + " PeriodicSite: Li (11.92, 9.364, 1.25) [0.5867, 0.461, 0.06153]\n", + " PeriodicSite: Li (12.47, 6.605, 15.04) [0.614, 0.3252, 0.7404]\n", + " PeriodicSite: Li (12.21, 15.77, 3.945) [0.6013, 0.7763, 0.1942]\n", + " PeriodicSite: Li (13.33, 15.27, 11.74) [0.6562, 0.7518, 0.5782]\n", + " PeriodicSite: Li (0.3323, 7.345, 2.996) [0.01636, 0.3616, 0.1475]\n", + " PeriodicSite: Li (17.42, 5.054, 11.43) [0.8576, 0.2488, 0.5627]\n", + " PeriodicSite: Li (1.947, 17.05, 5.217) [0.09582, 0.8395, 0.2568]\n", + " PeriodicSite: Li (0.5035, 17.98, 10.97) [0.02478, 0.8852, 0.5402]\n", + " PeriodicSite: Li (10.56, 6.354, 2.957) [0.5199, 0.3128, 0.1456]\n", + " PeriodicSite: Li (15.01, 8.067, 13.51) [0.739, 0.3971, 0.665]\n", + " PeriodicSite: Li (12.89, 17.48, 0.1346) [0.6345, 0.8603, 0.006632]\n", + " PeriodicSite: Li (9.264, 15.06, 17.03) [0.4561, 0.7415, 0.8385]\n", + " PeriodicSite: Li (4.926, 8.505, 3.37) [0.2425, 0.4187, 0.1659]\n", + " PeriodicSite: Li (1.846, 9.671, 10.74) [0.0909, 0.4761, 0.5288]\n", + " PeriodicSite: Li (0.05063, 17.33, 2.455) [0.002485, 0.8533, 0.1209]\n", + " PeriodicSite: Li (1.895, 0.01346, 12.0) [0.09329, 0.0006628, 0.591]\n", + " PeriodicSite: Li (16.79, 10.17, 2.5) [0.8264, 0.5007, 0.1231]\n", + " PeriodicSite: Li (13.25, 7.052, 10.53) [0.6525, 0.3472, 0.5184]\n", + " PeriodicSite: Li (11.89, 20.13, 1.697) [0.5853, 0.9911, 0.08357]\n", + " PeriodicSite: Li (13.99, 17.48, 10.21) [0.6888, 0.8606, 0.5027]\n", + " PeriodicSite: Li (4.596, 4.724, 2.299) [0.2262, 0.2326, 0.1132]\n", + " PeriodicSite: Li (4.842, 8.757, 13.27) [0.2384, 0.4311, 0.6535]\n", + " PeriodicSite: Li (4.419, 19.15, 3.303) [0.2175, 0.9427, 0.1626]\n", + " PeriodicSite: Li (1.825, 15.65, 13.32) [0.08987, 0.7706, 0.6557]\n", + " PeriodicSite: Li (13.9, 9.354, 3.414) [0.6844, 0.4605, 0.1681]\n", + " PeriodicSite: Li (14.01, 5.806, 12.68) [0.6895, 0.2858, 0.6244]\n", + " PeriodicSite: Li (14.84, 16.59, 2.068) [0.7306, 0.8168, 0.1018]\n", + " PeriodicSite: Li (17.73, 3.415, 14.97) [0.8731, 0.1681, 0.7368]\n", + " PeriodicSite: Li (10.04, 3.223, 3.783) [0.4944, 0.1587, 0.1863]\n", + " PeriodicSite: Li (9.59, 2.825, 13.17) [0.4721, 0.1391, 0.6482]\n", + " PeriodicSite: Li (5.844, 10.9, 3.02) [0.2877, 0.5366, 0.1487]\n", + " PeriodicSite: Li (2.75, 11.68, 14.81) [0.1354, 0.5752, 0.7291]\n", + " PeriodicSite: Li (16.79, 1.515, 4.92) [0.8267, 0.07459, 0.2422]\n", + " PeriodicSite: Li (12.96, 4.278, 10.34) [0.6382, 0.2106, 0.509]\n", + " PeriodicSite: Li (18.44, 12.04, 20.03) [0.9079, 0.5925, 0.9861]\n", + " PeriodicSite: Li (17.41, 10.27, 13.07) [0.8569, 0.5058, 0.6435]\n", + " PeriodicSite: Li (5.5, 18.56, 6.656) [0.2707, 0.9139, 0.3277]\n", + " PeriodicSite: Li (7.473, 1.784, 15.11) [0.3679, 0.08784, 0.744]\n", + " PeriodicSite: Li (8.384, 12.21, 0.4782) [0.4128, 0.601, 0.02355]\n", + " PeriodicSite: Li (8.945, 14.72, 12.92) [0.4404, 0.7249, 0.636]\n", + " PeriodicSite: Li (14.72, 19.53, 2.814) [0.7248, 0.9613, 0.1385]\n", + " PeriodicSite: Li (20.03, 1.915, 12.32) [0.9863, 0.09429, 0.6063]\n", + " PeriodicSite: Li (18.78, 14.71, 2.61) [0.9245, 0.7244, 0.1285]\n", + " PeriodicSite: Li (17.57, 14.84, 12.52) [0.865, 0.7308, 0.6164]\n", + " PeriodicSite: Li (8.119, 5.909, 6.156) [0.3997, 0.2909, 0.3031]\n", + " PeriodicSite: Li (6.875, 20.03, 12.97) [0.3385, 0.9859, 0.6388]\n", + " PeriodicSite: Li (9.958, 12.83, 3.249) [0.4902, 0.6317, 0.16]\n", + " PeriodicSite: Li (4.783, 13.89, 11.9) [0.2355, 0.6838, 0.5857]\n", + " PeriodicSite: Li (20.27, 2.79, 2.655) [0.9981, 0.1373, 0.1307]\n", + " PeriodicSite: Li (0.5349, 6.165, 13.06) [0.02634, 0.3035, 0.6431]\n", + " PeriodicSite: Li (15.81, 13.51, 2.097) [0.7783, 0.6652, 0.1032]\n", + " PeriodicSite: Li (15.05, 12.06, 13.62) [0.741, 0.5939, 0.6707]\n", + " PeriodicSite: Li (2.894, 0.1013, 5.808) [0.1425, 0.004987, 0.2859]\n", + " PeriodicSite: Li (5.153, 1.827, 13.44) [0.2537, 0.08994, 0.6616]\n", + " PeriodicSite: Li (5.512, 13.45, 1.494) [0.2713, 0.6619, 0.07353]\n", + " PeriodicSite: Li (8.123, 6.727, 15.43) [0.3999, 0.3312, 0.7594]\n", + " PeriodicSite: Li (18.1, 4.277, 4.15) [0.891, 0.2106, 0.2043]\n", + " PeriodicSite: Li (16.86, 0.2893, 13.58) [0.8299, 0.01424, 0.6688]\n", + " PeriodicSite: Li (16.56, 13.97, 19.01) [0.8154, 0.6876, 0.9357]\n", + " PeriodicSite: Li (18.22, 11.96, 10.43) [0.8971, 0.5887, 0.5133]\n", + " PeriodicSite: Li (6.944, 4.2, 1.037) [0.3418, 0.2068, 0.05103]\n", + " PeriodicSite: Li (5.891, 2.851, 10.66) [0.29, 0.1404, 0.5248]\n", + " PeriodicSite: Li (8.996, 10.49, 2.505) [0.4429, 0.5165, 0.1233]\n", + " PeriodicSite: Li (8.37, 11.12, 11.59) [0.4121, 0.5474, 0.5707]\n", + " PeriodicSite: Li (15.41, 2.866, 2.129) [0.7587, 0.1411, 0.1048]\n", + " PeriodicSite: Li (15.29, 2.984, 11.57) [0.7528, 0.1469, 0.5698]\n", + " PeriodicSite: Li (0.933, 11.31, 17.85) [0.04593, 0.5566, 0.8787]\n", + " PeriodicSite: Li (19.75, 13.14, 13.72) [0.9722, 0.647, 0.6754]\n", + " PeriodicSite: Li (7.874, 0.3878, 1.392) [0.3877, 0.01909, 0.06855]\n", + " PeriodicSite: Li (7.987, 0.6359, 10.73) [0.3932, 0.03131, 0.5284]\n", + " PeriodicSite: Li (7.072, 11.9, 5.112) [0.3481, 0.5857, 0.2517]\n", + " PeriodicSite: Li (4.826, 17.14, 11.93) [0.2376, 0.8438, 0.5872]\n", + " PeriodicSite: Li (17.36, 3.153, 0.1636) [0.8545, 0.1552, 0.008058]\n", + " PeriodicSite: Li (2.179, 7.452, 15.53) [0.1073, 0.3669, 0.7646]\n", + " PeriodicSite: Li (4.246, 14.8, 7.583) [0.209, 0.7288, 0.3733]\n", + " PeriodicSite: Li (15.63, 12.97, 10.93) [0.7693, 0.6383, 0.5382]\n", + " PeriodicSite: Li (14.28, 9.389, 6.553) [0.703, 0.4622, 0.3226]\n", + " PeriodicSite: Li (5.68, 8.478, 16.88) [0.2797, 0.4174, 0.8312]\n", + " PeriodicSite: Li (6.68, 13.97, 10.05) [0.3289, 0.6876, 0.495]\n", + " PeriodicSite: Li (5.637, 15.74, 18.01) [0.2775, 0.7747, 0.8868]\n", + " PeriodicSite: Li (17.53, 10.13, 6.778) [0.8632, 0.4987, 0.3337]\n", + " PeriodicSite: Li (2.997, 4.922, 18.34) [0.1475, 0.2423, 0.903]\n", + " PeriodicSite: Li (17.32, 18.55, 5.404) [0.8529, 0.913, 0.266]\n", + " PeriodicSite: Li (19.88, 18.51, 18.46) [0.9787, 0.9112, 0.9088]\n", + " PeriodicSite: Li (7.76, 9.129, 6.455) [0.382, 0.4494, 0.3178]\n", + " PeriodicSite: Li (9.141, 5.766, 17.75) [0.45, 0.2839, 0.8738]\n", + " PeriodicSite: Li (8.265, 0.1895, 7.468) [0.4069, 0.009325, 0.3676]\n", + " PeriodicSite: Li (7.302, 18.5, 15.48) [0.3595, 0.9106, 0.7621]\n", + " PeriodicSite: Li (18.78, 8.49, 9.881) [0.9246, 0.418, 0.4865]\n", + " PeriodicSite: Li (17.29, 5.265, 18.62) [0.8514, 0.2592, 0.9167]\n", + " PeriodicSite: Li (17.23, 20.01, 7.953) [0.8482, 0.985, 0.3915]\n", + " PeriodicSite: Li (17.65, 15.75, 16.08) [0.8691, 0.7753, 0.7918]\n", + " PeriodicSite: Li (6.93, 5.549, 9.174) [0.3412, 0.2732, 0.4517]\n", + " PeriodicSite: Li (6.134, 5.447, 18.26) [0.302, 0.2682, 0.8989]\n", + " PeriodicSite: Li (9.28, 17.91, 8.991) [0.4569, 0.8819, 0.4426]\n", + " PeriodicSite: Li (11.77, 13.29, 15.31) [0.5794, 0.6541, 0.7536]\n", + " PeriodicSite: Li (20.06, 7.185, 6.874) [0.9877, 0.3537, 0.3384]\n", + " PeriodicSite: Li (19.69, 7.467, 16.45) [0.9692, 0.3676, 0.8097]\n", + " PeriodicSite: Li (17.13, 17.15, 9.996) [0.8435, 0.8441, 0.4921]\n", + " PeriodicSite: Li (16.68, 16.93, 19.7) [0.8213, 0.8336, 0.9697]\n", + " PeriodicSite: Li (8.671, 8.246, 10.06) [0.4269, 0.406, 0.4953]\n", + " PeriodicSite: Li (6.148, 6.891, 0.4353) [0.3026, 0.3393, 0.02143]\n", + " PeriodicSite: Li (6.305, 16.96, 9.382) [0.3104, 0.8347, 0.4619]\n", + " PeriodicSite: Li (7.998, 14.98, 3.246) [0.3937, 0.7377, 0.1598]\n", + " PeriodicSite: Li (15.89, 6.623, 9.046) [0.7822, 0.3261, 0.4454]\n", + " PeriodicSite: Li (18.8, 8.449, 19.55) [0.9258, 0.4159, 0.9624]\n", + " PeriodicSite: Li (15.2, 18.25, 6.834) [0.7485, 0.8983, 0.3365]\n", + " PeriodicSite: Li (15.39, 18.19, 16.62) [0.7578, 0.8956, 0.8183]\n", + " PeriodicSite: Li (6.778, 4.763, 12.44) [0.3337, 0.2345, 0.6126]\n", + " PeriodicSite: Li (8.313, 9.761, 18.35) [0.4093, 0.4806, 0.9035]\n", + " PeriodicSite: Li (8.956, 17.65, 5.167) [0.4409, 0.8691, 0.2544]\n", + " PeriodicSite: Li (10.44, 17.84, 1.452) [0.5137, 0.8783, 0.0715]\n", + " PeriodicSite: Li (16.81, 8.0, 5.461) [0.8276, 0.3938, 0.2689]\n", + " PeriodicSite: Li (14.82, 6.869, 18.95) [0.7297, 0.3382, 0.9328]\n", + " PeriodicSite: Li (19.63, 17.14, 7.252) [0.9666, 0.844, 0.357]\n", + " PeriodicSite: Li (18.06, 0.202, 1.891) [0.8894, 0.009935, 0.09312]\n", + " PeriodicSite: Li (2.861, 9.53, 4.454) [0.1409, 0.4692, 0.2193]\n", + " PeriodicSite: Li (9.206, 7.786, 19.73) [0.4532, 0.3833, 0.9712]\n", + " PeriodicSite: Li (8.158, 15.56, 7.242) [0.4016, 0.7663, 0.3565]\n", + " PeriodicSite: Li (5.769, 19.34, 17.62) [0.284, 0.952, 0.8673]\n", + " PeriodicSite: Li (18.05, 5.436, 7.476) [0.8886, 0.2676, 0.3681]\n", + " PeriodicSite: Li (17.14, 12.22, 15.23) [0.8441, 0.6017, 0.75]\n", + " PeriodicSite: Li (2.098, 15.26, 2.981) [0.1033, 0.7513, 0.1467]\n", + " PeriodicSite: Li (13.69, 1.081, 13.81) [0.674, 0.05321, 0.6799]\n", + " PeriodicSite: Cl (7.364, 12.84, 12.68) [0.3625, 0.6319, 0.6242]\n", + " PeriodicSite: Cl (2.578, 13.02, 17.38) [0.1269, 0.6408, 0.8554]\n", + " PeriodicSite: Cl (12.58, 17.34, 12.37) [0.6195, 0.8536, 0.6092]\n", + " PeriodicSite: Cl (17.92, 7.553, 17.85) [0.8823, 0.3718, 0.8788]\n", + " PeriodicSite: Cl (7.219, 2.448, 2.691) [0.3554, 0.1205, 0.1325]\n", + " PeriodicSite: Cl (6.938, 7.399, 7.701) [0.3416, 0.3643, 0.3791]\n", + " PeriodicSite: Cl (12.73, 12.85, 7.395) [0.6268, 0.6324, 0.3641]\n", + " PeriodicSite: Cl (2.836, 8.074, 2.778) [0.1396, 0.3975, 0.1368]\n", + " PeriodicSite: Cl (2.572, 7.598, 12.57) [0.1266, 0.3741, 0.6191]\n", + " PeriodicSite: Cl (12.72, 12.78, 17.23) [0.6261, 0.6292, 0.8484]\n", + " PeriodicSite: Cl (17.5, 17.44, 17.51) [0.8618, 0.8585, 0.8619]\n", + " PeriodicSite: Cl (2.569, 2.313, 7.516) [0.1265, 0.1139, 0.37]\n", + " PeriodicSite: Cl (12.44, 2.234, 18.21) [0.6126, 0.11, 0.8963]\n", + " PeriodicSite: Cl (12.69, 7.484, 2.637) [0.6247, 0.3684, 0.1298]\n", + " PeriodicSite: Cl (17.39, 2.748, 12.72) [0.856, 0.1353, 0.6263]\n", + " PeriodicSite: Cl (7.478, 17.86, 18.22) [0.3681, 0.8791, 0.8971]\n", + " PeriodicSite: Cl (0.1769, 0.3572, 20.1) [0.008715, 0.01759, 0.9894]\n", + " PeriodicSite: Cl (0.4562, 0.3248, 10.46) [0.02246, 0.01599, 0.515]\n", + " PeriodicSite: Cl (20.23, 10.56, 19.98) [0.9959, 0.5197, 0.9836]\n", + " PeriodicSite: Cl (0.04855, 10.83, 9.545) [0.002388, 0.533, 0.4699]\n", + " PeriodicSite: Cl (10.29, 20.3, 20.29) [0.5066, 0.9995, 0.9988]\n", + " PeriodicSite: Cl (10.05, 0.08504, 9.769) [0.4949, 0.004183, 0.4809]\n", + " PeriodicSite: Cl (9.817, 10.14, 0.05243) [0.4833, 0.4993, 0.002585]\n", + " PeriodicSite: Cl (9.875, 10.19, 10.19) [0.4862, 0.5015, 0.5017]\n", + " PeriodicSite: Cl (20.11, 5.466, 5.282) [0.9898, 0.2691, 0.26]\n", + " PeriodicSite: Cl (0.5783, 5.587, 15.23) [0.02847, 0.2751, 0.7496]\n", + " PeriodicSite: Cl (0.5396, 15.22, 4.682) [0.02656, 0.7492, 0.2305]\n", + " PeriodicSite: Cl (19.96, 15.24, 14.99) [0.9824, 0.7501, 0.7381]\n", + " PeriodicSite: Cl (10.06, 5.099, 5.17) [0.4951, 0.251, 0.2545]\n", + " PeriodicSite: Cl (10.13, 5.57, 14.96) [0.4987, 0.2742, 0.7365]\n", + " PeriodicSite: Cl (9.971, 15.22, 4.632) [0.4909, 0.7494, 0.228]\n", + " PeriodicSite: Cl (9.866, 15.56, 14.91) [0.4857, 0.7659, 0.734]\n", + " PeriodicSite: S (5.274, 0.242, 5.365) [0.2596, 0.01191, 0.2641]\n", + " PeriodicSite: S (5.566, 0.09472, 15.48) [0.274, 0.004662, 0.7623]\n", + " PeriodicSite: S (5.178, 10.25, 5.179) [0.2549, 0.5044, 0.255]\n", + " PeriodicSite: S (5.143, 10.28, 15.34) [0.2532, 0.5062, 0.755]\n", + " PeriodicSite: S (15.5, 19.97, 5.265) [0.763, 0.983, 0.2592]\n", + " PeriodicSite: S (15.23, 20.21, 15.25) [0.7499, 0.9949, 0.7507]\n", + " PeriodicSite: S (15.69, 10.2, 4.864) [0.7722, 0.5022, 0.2395]\n", + " PeriodicSite: S (15.57, 10.13, 15.05) [0.7664, 0.4988, 0.7411]\n", + " PeriodicSite: S (4.969, 5.007, 0.1101) [0.2446, 0.2465, 0.005421]\n", + " PeriodicSite: S (5.183, 4.907, 10.61) [0.2551, 0.2416, 0.5226]\n", + " PeriodicSite: S (4.998, 15.42, 20.24) [0.2461, 0.7589, 0.9965]\n", + " PeriodicSite: S (4.778, 15.25, 9.97) [0.2352, 0.7506, 0.4909]\n", + " PeriodicSite: S (15.45, 4.859, 0.03744) [0.7605, 0.2392, 0.001848]\n", + " PeriodicSite: S (15.03, 5.05, 10.58) [0.74, 0.2486, 0.521]\n", + " PeriodicSite: S (14.66, 15.49, 20.24) [0.7218, 0.7627, 0.9965]\n", + " PeriodicSite: S (15.12, 15.36, 10.13) [0.7446, 0.7562, 0.4987]\n", + " PeriodicSite: S (8.928, 3.703, 9.165) [0.4395, 0.1823, 0.4512]\n", + " PeriodicSite: S (8.731, 4.046, 19.3) [0.4298, 0.1992, 0.9503]\n", + " PeriodicSite: S (8.782, 13.54, 8.322) [0.4323, 0.6667, 0.4097]\n", + " PeriodicSite: S (8.872, 13.94, 19.24) [0.4368, 0.6861, 0.9472]\n", + " PeriodicSite: S (18.72, 3.955, 9.536) [0.9214, 0.1947, 0.4695]\n", + " PeriodicSite: S (19.13, 3.967, 19.03) [0.9418, 0.1953, 0.9368]\n", + " PeriodicSite: S (18.68, 14.4, 9.139) [0.9194, 0.7089, 0.4499]\n", + " PeriodicSite: S (19.15, 14.05, 18.73) [0.9426, 0.6916, 0.9219]\n", + " PeriodicSite: S (3.688, 1.017, 1.459) [0.1816, 0.05006, 0.07182]\n", + " PeriodicSite: S (3.957, 1.066, 10.99) [0.1948, 0.05248, 0.5412]\n", + " PeriodicSite: S (3.874, 11.42, 1.169) [0.1907, 0.5624, 0.05758]\n", + " PeriodicSite: S (4.121, 11.59, 11.6) [0.2029, 0.5706, 0.5712]\n", + " PeriodicSite: S (14.17, 1.074, 1.247) [0.6975, 0.05289, 0.06137]\n", + " PeriodicSite: S (13.68, 1.323, 11.41) [0.6732, 0.06511, 0.5617]\n", + " PeriodicSite: S (14.24, 11.09, 1.62) [0.7013, 0.5462, 0.07978]\n", + " PeriodicSite: S (14.05, 11.12, 11.34) [0.6919, 0.5475, 0.5583]\n", + " PeriodicSite: S (6.32, 1.023, 8.7) [0.3111, 0.05037, 0.4283]\n", + " PeriodicSite: S (6.307, 1.032, 19.72) [0.3105, 0.05081, 0.9707]\n", + " PeriodicSite: S (6.363, 11.5, 9.057) [0.3133, 0.566, 0.4459]\n", + " PeriodicSite: S (6.438, 11.4, 19.23) [0.3169, 0.5611, 0.9467]\n", + " PeriodicSite: S (16.35, 1.51, 9.244) [0.805, 0.07435, 0.4551]\n", + " PeriodicSite: S (16.43, 1.261, 18.88) [0.8087, 0.06209, 0.9295]\n", + " PeriodicSite: S (16.38, 11.01, 9.12) [0.8066, 0.5419, 0.449]\n", + " PeriodicSite: S (16.1, 11.51, 19.03) [0.7928, 0.5666, 0.9369]\n", + " PeriodicSite: S (1.263, 4.356, 1.087) [0.06219, 0.2144, 0.05353]\n", + " PeriodicSite: S (1.278, 4.019, 11.52) [0.06292, 0.1979, 0.5671]\n", + " PeriodicSite: S (1.023, 14.05, 0.9995) [0.05038, 0.6918, 0.04921]\n", + " PeriodicSite: S (1.208, 14.08, 11.26) [0.05948, 0.6932, 0.5544]\n", + " PeriodicSite: S (11.13, 4.149, 1.554) [0.5479, 0.2042, 0.07649]\n", + " PeriodicSite: S (11.22, 3.842, 11.84) [0.5525, 0.1891, 0.5829]\n", + " PeriodicSite: S (11.07, 14.17, 1.605) [0.5448, 0.6975, 0.07903]\n", + " PeriodicSite: S (11.0, 13.77, 11.17) [0.5413, 0.6778, 0.55]\n", + " PeriodicSite: S (2.962, 2.549, 17.97) [0.1458, 0.1255, 0.8845]\n", + " PeriodicSite: S (2.719, 12.83, 7.368) [0.1338, 0.6317, 0.3628]\n", + " PeriodicSite: S (12.76, 2.563, 7.776) [0.6284, 0.1262, 0.3828]\n", + " PeriodicSite: S (9.046, 8.456, 4.178) [0.4454, 0.4163, 0.2057]\n", + " PeriodicSite: S (9.098, 8.825, 13.98) [0.4479, 0.4345, 0.6885]\n", + " PeriodicSite: S (9.365, 19.39, 3.267) [0.4611, 0.9544, 0.1608]\n", + " PeriodicSite: S (9.071, 19.42, 14.01) [0.4466, 0.9559, 0.6896]\n", + " PeriodicSite: S (19.31, 9.088, 4.085) [0.9506, 0.4474, 0.2011]\n", + " PeriodicSite: S (18.98, 8.83, 14.41) [0.9346, 0.4347, 0.7092]\n", + " PeriodicSite: S (19.04, 19.35, 3.718) [0.9371, 0.9525, 0.1831]\n", + " PeriodicSite: S (19.16, 19.91, 13.39) [0.9433, 0.9804, 0.6591]\n", + " PeriodicSite: S (3.828, 6.287, 6.316) [0.1884, 0.3095, 0.3109]\n", + " PeriodicSite: S (4.168, 6.16, 16.78) [0.2052, 0.3032, 0.8262]\n", + " PeriodicSite: S (4.032, 16.55, 6.132) [0.1985, 0.8146, 0.3019]\n", + " PeriodicSite: S (3.911, 16.72, 16.31) [0.1925, 0.8231, 0.8032]\n", + " PeriodicSite: S (14.42, 6.451, 6.441) [0.71, 0.3176, 0.3171]\n", + " PeriodicSite: S (13.96, 6.558, 16.67) [0.6871, 0.3229, 0.8206]\n", + " PeriodicSite: S (13.55, 16.19, 6.129) [0.6673, 0.7971, 0.3018]\n", + " PeriodicSite: S (13.46, 16.25, 15.92) [0.6626, 0.7999, 0.7837]\n", + " PeriodicSite: S (6.128, 6.173, 3.798) [0.3017, 0.3039, 0.187]\n", + " PeriodicSite: S (6.07, 6.267, 14.08) [0.2989, 0.3086, 0.6933]\n", + " PeriodicSite: S (6.471, 16.69, 3.823) [0.3186, 0.8218, 0.1882]\n", + " PeriodicSite: S (6.411, 16.67, 13.98) [0.3156, 0.8205, 0.6881]\n", + " PeriodicSite: S (16.79, 6.027, 4.117) [0.8264, 0.2967, 0.2027]\n", + " PeriodicSite: S (16.13, 6.029, 13.98) [0.7943, 0.2968, 0.6882]\n", + " PeriodicSite: S (16.31, 16.15, 3.707) [0.803, 0.7949, 0.1825]\n", + " PeriodicSite: S (16.19, 16.15, 14.2) [0.7973, 0.7951, 0.6992]\n", + " PeriodicSite: S (1.389, 9.063, 6.39) [0.06838, 0.4462, 0.3146]\n", + " PeriodicSite: S (1.312, 9.468, 16.47) [0.06458, 0.4661, 0.8109]\n", + " PeriodicSite: S (0.8429, 19.19, 6.402) [0.04149, 0.9445, 0.3152]\n", + " PeriodicSite: S (0.5091, 19.19, 16.15) [0.02506, 0.9447, 0.7949]\n", + " PeriodicSite: S (11.67, 9.205, 6.395) [0.5745, 0.4532, 0.3148]\n", + " PeriodicSite: S (11.62, 8.797, 16.43) [0.5722, 0.4331, 0.809]\n", + " PeriodicSite: S (11.06, 19.02, 6.075) [0.5446, 0.9364, 0.2991]\n", + " PeriodicSite: S (11.36, 19.02, 16.4) [0.5595, 0.9365, 0.8073]\n", + " PeriodicSite: S (2.437, 17.66, 2.854) [0.12, 0.8693, 0.1405]\n", + " PeriodicSite: S (2.629, 17.63, 12.55) [0.1294, 0.8682, 0.618]\n", + " PeriodicSite: S (12.81, 7.522, 12.74) [0.6307, 0.3703, 0.6271]\n", + " PeriodicSite: S (12.91, 17.72, 2.519) [0.6356, 0.8723, 0.124]\n", + " PeriodicSite: S (3.548, 3.837, 4.271) [0.1747, 0.1889, 0.2103]\n", + " PeriodicSite: S (4.0, 3.861, 14.28) [0.1969, 0.1901, 0.703]\n", + " PeriodicSite: S (4.163, 14.13, 3.695) [0.2049, 0.6957, 0.1819]\n", + " PeriodicSite: S (3.891, 14.38, 13.92) [0.1915, 0.7078, 0.6854]\n", + " PeriodicSite: S (14.04, 4.011, 4.224) [0.6914, 0.1974, 0.208]\n", + " PeriodicSite: S (13.78, 4.009, 14.44) [0.6784, 0.1973, 0.7107]\n", + " PeriodicSite: S (13.91, 13.78, 3.671) [0.6849, 0.6782, 0.1807]\n", + " PeriodicSite: S (13.7, 13.93, 13.72) [0.6743, 0.686, 0.6752]\n", + " PeriodicSite: S (9.242, 1.433, 5.783) [0.455, 0.07055, 0.2847]\n", + " PeriodicSite: S (8.844, 1.006, 16.98) [0.4354, 0.04951, 0.8358]\n", + " PeriodicSite: S (9.062, 11.14, 6.25) [0.4461, 0.5484, 0.3077]\n", + " PeriodicSite: S (9.174, 11.28, 16.44) [0.4517, 0.5553, 0.8096]\n", + " PeriodicSite: S (18.54, 1.055, 6.218) [0.9126, 0.05194, 0.3061]\n", + " PeriodicSite: S (18.95, 1.739, 15.95) [0.933, 0.08562, 0.7854]\n", + " PeriodicSite: S (19.33, 11.69, 6.179) [0.9515, 0.5753, 0.3042]\n", + " PeriodicSite: S (19.26, 11.7, 16.2) [0.9484, 0.5759, 0.7978]\n", + " PeriodicSite: S (1.076, 1.2, 4.177) [0.05295, 0.0591, 0.2056]\n", + " PeriodicSite: S (1.399, 1.455, 14.12) [0.06888, 0.07164, 0.695]\n", + " PeriodicSite: S (1.388, 11.42, 3.901) [0.06835, 0.5624, 0.192]\n", + " PeriodicSite: S (1.053, 11.09, 13.76) [0.05186, 0.5459, 0.6773]\n", + " PeriodicSite: S (11.75, 1.257, 3.667) [0.5783, 0.06188, 0.1805]\n", + " PeriodicSite: S (11.23, 1.579, 14.79) [0.5529, 0.07771, 0.7282]\n", + " PeriodicSite: S (11.27, 10.91, 3.587) [0.5548, 0.5369, 0.1766]\n", + " PeriodicSite: S (11.44, 11.33, 14.12) [0.5633, 0.5578, 0.6949]\n", + " PeriodicSite: S (6.316, 4.08, 6.278) [0.311, 0.2008, 0.3091]\n", + " PeriodicSite: S (6.623, 4.011, 16.36) [0.3261, 0.1974, 0.8054]\n", + " PeriodicSite: S (6.197, 14.25, 6.279) [0.3051, 0.7014, 0.3091]\n", + " PeriodicSite: S (6.224, 14.29, 16.23) [0.3064, 0.7035, 0.7991]\n", + " PeriodicSite: S (16.69, 3.73, 6.353) [0.8217, 0.1836, 0.3128]\n", + " PeriodicSite: S (16.26, 4.201, 16.79) [0.8004, 0.2068, 0.8266]\n", + " PeriodicSite: S (15.94, 13.87, 6.195) [0.7849, 0.6831, 0.305]\n", + " PeriodicSite: S (15.7, 13.7, 16.39) [0.7727, 0.6746, 0.8068]\n", + " PeriodicSite: S (7.396, 2.15, 12.72) [0.3641, 0.1059, 0.6263]\n", + " PeriodicSite: S (7.585, 12.65, 2.663) [0.3734, 0.6227, 0.1311]\n", + " PeriodicSite: S (17.9, 2.426, 2.557) [0.8811, 0.1194, 0.1259]\n", + " PeriodicSite: S (17.74, 12.5, 2.24) [0.8732, 0.6156, 0.1103]\n", + " PeriodicSite: S (17.5, 12.59, 12.75) [0.8614, 0.6196, 0.6279]\n", + " PeriodicSite: S (3.713, 9.345, 9.156) [0.1828, 0.46, 0.4508]\n", + " PeriodicSite: S (4.234, 9.031, 19.11) [0.2085, 0.4446, 0.9407]\n", + " PeriodicSite: S (3.855, 18.63, 9.06) [0.1898, 0.9173, 0.446]\n", + " PeriodicSite: S (3.702, 19.18, 19.47) [0.1823, 0.9444, 0.9584]\n", + " PeriodicSite: S (14.14, 8.526, 9.016) [0.696, 0.4198, 0.4439]\n", + " PeriodicSite: S (13.63, 9.177, 19.29) [0.6711, 0.4518, 0.9498]\n", + " PeriodicSite: S (13.82, 19.52, 8.87) [0.6806, 0.9608, 0.4367]\n", + " PeriodicSite: S (14.12, 19.07, 18.96) [0.695, 0.9387, 0.9332]\n", + " PeriodicSite: S (8.678, 6.326, 1.347) [0.4272, 0.3114, 0.0663]\n", + " PeriodicSite: S (8.848, 6.141, 11.52) [0.4356, 0.3023, 0.567]\n", + " PeriodicSite: S (8.691, 16.25, 1.273) [0.4279, 0.8001, 0.0627]\n", + " PeriodicSite: S (8.478, 15.94, 10.62) [0.4174, 0.7846, 0.5229]\n", + " PeriodicSite: S (19.18, 6.601, 1.09) [0.9442, 0.325, 0.05365]\n", + " PeriodicSite: S (19.22, 6.533, 11.28) [0.9461, 0.3216, 0.5554]\n", + " PeriodicSite: S (18.74, 16.43, 0.7566) [0.9228, 0.8088, 0.03725]\n", + " PeriodicSite: S (19.28, 16.37, 11.85) [0.9492, 0.806, 0.5835]\n", + " PeriodicSite: S (1.241, 6.127, 8.897) [0.06108, 0.3017, 0.438]\n", + " PeriodicSite: S (1.183, 6.617, 19.02) [0.05823, 0.3258, 0.9366]\n", + " PeriodicSite: S (0.8782, 16.47, 8.901) [0.04323, 0.811, 0.4382]\n", + " PeriodicSite: S (1.161, 16.32, 18.6) [0.05716, 0.8037, 0.9156]\n", + " PeriodicSite: S (11.13, 6.034, 9.239) [0.5481, 0.297, 0.4548]\n", + " PeriodicSite: S (11.04, 6.254, 19.4) [0.5437, 0.3079, 0.9551]\n", + " PeriodicSite: S (11.07, 15.89, 8.575) [0.5451, 0.7824, 0.4222]\n", + " PeriodicSite: S (11.02, 16.27, 19.17) [0.5425, 0.8009, 0.9436]\n", + " PeriodicSite: S (6.309, 9.168, 1.448) [0.3106, 0.4514, 0.0713]\n", + " PeriodicSite: S (6.374, 9.107, 11.4) [0.3138, 0.4484, 0.5613]\n", + " PeriodicSite: S (6.043, 18.82, 1.677) [0.2975, 0.9266, 0.08258]\n", + " PeriodicSite: S (6.323, 19.0, 11.08) [0.3113, 0.9352, 0.5455]\n", + " PeriodicSite: S (16.56, 8.77, 0.6346) [0.8153, 0.4318, 0.03125]\n", + " PeriodicSite: S (16.65, 8.661, 11.46) [0.8197, 0.4264, 0.564]\n", + " PeriodicSite: S (16.54, 19.06, 0.8094) [0.8142, 0.9382, 0.03986]\n", + " PeriodicSite: S (16.01, 19.14, 11.34) [0.7883, 0.9425, 0.5584]\n", + " PeriodicSite: S (7.574, 7.585, 17.71) [0.3729, 0.3734, 0.8717]\n", + " PeriodicSite: S (7.656, 17.94, 7.363) [0.3769, 0.8831, 0.3625]\n", + " PeriodicSite: S (18.02, 7.606, 7.713) [0.8871, 0.3745, 0.3797]\n", + " PeriodicSite: S (17.27, 17.6, 7.715) [0.8502, 0.8664, 0.3798]\n", + " PeriodicSite: P (4.968, 20.14, 0.4487) [0.2446, 0.9917, 0.02209]\n", + " PeriodicSite: P (5.068, 20.05, 9.899) [0.2495, 0.987, 0.4873]\n", + " PeriodicSite: P (5.184, 10.29, 0.06506) [0.2552, 0.5068, 0.003205]\n", + " PeriodicSite: P (5.188, 10.38, 10.28) [0.2554, 0.511, 0.5062]\n", + " PeriodicSite: P (15.31, 20.29, 20.13) [0.7536, 0.9989, 0.991]\n", + " PeriodicSite: P (15.04, 0.1689, 10.21) [0.7402, 0.008308, 0.5027]\n", + " PeriodicSite: P (15.16, 10.12, 0.01914) [0.7461, 0.4982, 0.0009473]\n", + " PeriodicSite: P (15.36, 9.775, 10.27) [0.756, 0.4812, 0.5056]\n", + " PeriodicSite: P (4.964, 5.141, 5.043) [0.2444, 0.2531, 0.2483]\n", + " PeriodicSite: P (5.227, 5.021, 15.38) [0.2573, 0.2472, 0.7572]\n", + " PeriodicSite: P (5.267, 15.36, 4.959) [0.2593, 0.7561, 0.2441]\n", + " PeriodicSite: P (5.092, 15.58, 15.12) [0.2507, 0.7672, 0.7442]\n", + " PeriodicSite: P (15.53, 5.066, 5.271) [0.7646, 0.2494, 0.2595]\n", + " PeriodicSite: P (15.06, 5.195, 15.48) [0.7413, 0.2558, 0.7622]\n", + " PeriodicSite: P (15.03, 15.18, 4.93) [0.7397, 0.7472, 0.2427]\n", + " PeriodicSite: P (14.81, 14.98, 15.12) [0.7292, 0.7376, 0.7442]\n", + " PeriodicSite: P (19.99, 0.08781, 5.102) [0.984, 0.004314, 0.2512]\n", + " PeriodicSite: P (20.15, 0.4339, 14.98) [0.9919, 0.02136, 0.7374]\n", + " PeriodicSite: P (0.1576, 10.28, 5.178) [0.007755, 0.5063, 0.2549]\n", + " PeriodicSite: P (20.19, 10.26, 15.16) [0.9942, 0.5049, 0.7463]\n", + " PeriodicSite: P (10.5, 0.1066, 4.717) [0.517, 0.005245, 0.2322]\n", + " PeriodicSite: P (10.06, 0.1239, 15.53) [0.495, 0.006094, 0.7647]\n", + " PeriodicSite: P (10.26, 9.9, 5.076) [0.5052, 0.4874, 0.2499]\n", + " PeriodicSite: P (10.3, 9.944, 15.3) [0.5069, 0.4896, 0.7534]\n", + " PeriodicSite: P (20.27, 5.238, 20.21) [0.9981, 0.2579, 0.9952]\n", + " PeriodicSite: P (20.28, 4.991, 10.25) [0.9985, 0.2457, 0.5048]\n", + " PeriodicSite: P (20.25, 15.22, 20.03) [0.9967, 0.7492, 0.9861]\n", + " PeriodicSite: P (20.17, 15.36, 10.27) [0.9932, 0.756, 0.5055]\n", + " PeriodicSite: P (9.946, 5.131, 0.2615) [0.4897, 0.2526, 0.01288]\n", + " PeriodicSite: P (10.05, 4.824, 10.45) [0.4947, 0.2375, 0.5146]\n", + " PeriodicSite: P (9.953, 15.05, 0.1587) [0.49, 0.7412, 0.007816]\n", + " PeriodicSite: P (9.797, 14.72, 9.672) [0.4823, 0.7246, 0.4762],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.142, 4.446, 6.334) [0.1054, 0.2189, 0.3118]\n", + " PeriodicSite: Li (1.192, 3.262, 16.02) [0.05868, 0.1606, 0.7886]\n", + " PeriodicSite: Li (0.3927, 12.62, 8.836) [0.01933, 0.6211, 0.435]\n", + " PeriodicSite: Li (0.7075, 13.56, 16.57) [0.03483, 0.6676, 0.8157]\n", + " PeriodicSite: Li (14.55, 0.6293, 7.335) [0.7164, 0.03098, 0.3611]\n", + " PeriodicSite: Li (11.56, 3.842, 15.97) [0.5693, 0.1892, 0.7864]\n", + " PeriodicSite: Li (17.32, 11.74, 4.789) [0.8527, 0.578, 0.2358]\n", + " PeriodicSite: Li (17.03, 8.814, 15.87) [0.8383, 0.4339, 0.7815]\n", + " PeriodicSite: Li (2.655, 4.892, 9.65) [0.1307, 0.2409, 0.4751]\n", + " PeriodicSite: Li (1.947, 0.3533, 18.07) [0.09586, 0.0174, 0.8898]\n", + " PeriodicSite: Li (5.246, 7.917, 6.87) [0.2583, 0.3897, 0.3382]\n", + " PeriodicSite: Li (7.439, 10.34, 16.36) [0.3662, 0.509, 0.8052]\n", + " PeriodicSite: Li (10.55, 4.092, 7.497) [0.5194, 0.2014, 0.3691]\n", + " PeriodicSite: Li (13.1, 5.718, 1.156) [0.645, 0.2815, 0.05691]\n", + " PeriodicSite: Li (11.65, 9.381, 11.41) [0.5734, 0.4618, 0.5617]\n", + " PeriodicSite: Li (9.708, 18.49, 18.05) [0.478, 0.9102, 0.8888]\n", + " PeriodicSite: Li (5.111, 1.926, 7.141) [0.2516, 0.09481, 0.3515]\n", + " PeriodicSite: Li (4.239, 2.058, 16.46) [0.2087, 0.1013, 0.8104]\n", + " PeriodicSite: Li (4.773, 11.57, 7.517) [0.235, 0.5697, 0.3701]\n", + " PeriodicSite: Li (5.823, 12.38, 14.58) [0.2867, 0.6096, 0.718]\n", + " PeriodicSite: Li (12.09, 1.235, 10.16) [0.595, 0.06082, 0.5004]\n", + " PeriodicSite: Li (10.52, 1.717, 18.7) [0.5178, 0.08452, 0.9204]\n", + " PeriodicSite: Li (13.1, 15.36, 8.41) [0.6449, 0.7562, 0.414]\n", + " PeriodicSite: Li (11.34, 10.73, 18.48) [0.5582, 0.5284, 0.9097]\n", + " PeriodicSite: Li (19.83, 1.794, 8.187) [0.9761, 0.08831, 0.4031]\n", + " PeriodicSite: Li (0.7719, 2.505, 19.3) [0.038, 0.1233, 0.9504]\n", + " PeriodicSite: Li (0.6865, 13.34, 5.559) [0.03379, 0.6567, 0.2737]\n", + " PeriodicSite: Li (2.991, 14.86, 18.72) [0.1473, 0.7314, 0.9215]\n", + " PeriodicSite: Li (13.26, 2.478, 5.284) [0.6526, 0.122, 0.2601]\n", + " PeriodicSite: Li (13.55, 0.1828, 17.02) [0.6673, 0.008993, 0.8377]\n", + " PeriodicSite: Li (10.66, 11.2, 8.344) [0.5246, 0.5513, 0.4108]\n", + " PeriodicSite: Li (13.8, 14.77, 18.15) [0.6792, 0.727, 0.8937]\n", + " PeriodicSite: Li (7.218, 0.578, 4.611) [0.3554, 0.02845, 0.227]\n", + " PeriodicSite: Li (1.852, 19.83, 2.242) [0.09119, 0.9763, 0.1104]\n", + " PeriodicSite: Li (3.029, 13.74, 10.06) [0.1491, 0.6766, 0.4951]\n", + " PeriodicSite: Li (0.2061, 17.73, 14.57) [0.01014, 0.8728, 0.7171]\n", + " PeriodicSite: Li (14.82, 3.953, 7.891) [0.7297, 0.1946, 0.3885]\n", + " PeriodicSite: Li (14.79, 3.261, 18.95) [0.7283, 0.1606, 0.933]\n", + " PeriodicSite: Li (17.0, 14.96, 8.398) [0.8371, 0.7364, 0.4134]\n", + " PeriodicSite: Li (13.28, 13.09, 19.89) [0.6537, 0.6443, 0.9794]\n", + " PeriodicSite: Li (5.087, 1.516, 3.253) [0.2504, 0.07462, 0.1602]\n", + " PeriodicSite: Li (4.294, 2.66, 19.68) [0.2114, 0.1309, 0.969]\n", + " PeriodicSite: Li (3.473, 12.33, 5.333) [0.171, 0.6069, 0.2626]\n", + " PeriodicSite: Li (19.75, 11.53, 2.418) [0.9722, 0.5678, 0.1191]\n", + " PeriodicSite: Li (11.38, 0.6465, 7.202) [0.5603, 0.03182, 0.3546]\n", + " PeriodicSite: Li (16.33, 1.17, 17.06) [0.8037, 0.05758, 0.8397]\n", + " PeriodicSite: Li (14.01, 12.19, 5.436) [0.6897, 0.5999, 0.2676]\n", + " PeriodicSite: Li (14.68, 11.53, 16.84) [0.7229, 0.5676, 0.829]\n", + " PeriodicSite: Li (4.812, 12.17, 17.24) [0.2369, 0.5989, 0.8488]\n", + " PeriodicSite: Li (1.88, 10.5, 7.922) [0.09255, 0.5168, 0.39]\n", + " PeriodicSite: Li (2.889, 16.95, 0.2573) [0.1422, 0.8347, 0.01267]\n", + " PeriodicSite: Li (2.438, 0.5544, 9.427) [0.12, 0.0273, 0.4641]\n", + " PeriodicSite: Li (12.54, 6.282, 4.777) [0.6171, 0.3093, 0.2352]\n", + " PeriodicSite: Li (13.18, 10.25, 14.0) [0.6488, 0.5045, 0.6893]\n", + " PeriodicSite: Li (10.34, 13.57, 6.511) [0.509, 0.6682, 0.3206]\n", + " PeriodicSite: Li (15.04, 18.25, 13.72) [0.7406, 0.8985, 0.6757]\n", + " PeriodicSite: Li (3.356, 6.897, 0.1056) [0.1652, 0.3396, 0.005203]\n", + " PeriodicSite: Li (4.362, 5.178, 12.69) [0.2147, 0.2549, 0.6246]\n", + " PeriodicSite: Li (6.755, 17.06, 0.2952) [0.3325, 0.8401, 0.01454]\n", + " PeriodicSite: Li (4.222, 18.21, 14.77) [0.2079, 0.8967, 0.7272]\n", + " PeriodicSite: Li (16.36, 6.386, 1.238) [0.8053, 0.3144, 0.06097]\n", + " PeriodicSite: Li (10.26, 7.601, 13.3) [0.5053, 0.3742, 0.6548]\n", + " PeriodicSite: Li (13.29, 18.65, 4.533) [0.6544, 0.9181, 0.2232]\n", + " PeriodicSite: Li (11.84, 17.51, 14.63) [0.5828, 0.862, 0.7202]\n", + " PeriodicSite: Li (2.243, 9.864, 1.238) [0.1104, 0.4856, 0.06096]\n", + " PeriodicSite: Li (4.583, 7.111, 10.26) [0.2256, 0.3501, 0.5051]\n", + " PeriodicSite: Li (4.744, 16.49, 1.958) [0.2335, 0.8117, 0.0964]\n", + " PeriodicSite: Li (2.835, 17.14, 10.3) [0.1396, 0.8438, 0.5071]\n", + " PeriodicSite: Li (12.09, 9.516, 0.7329) [0.5951, 0.4685, 0.03608]\n", + " PeriodicSite: Li (12.56, 7.467, 15.21) [0.6183, 0.3676, 0.7488]\n", + " PeriodicSite: Li (11.84, 15.6, 2.646) [0.5829, 0.768, 0.1303]\n", + " PeriodicSite: Li (12.86, 15.18, 11.61) [0.633, 0.7473, 0.5716]\n", + " PeriodicSite: Li (0.1954, 6.847, 3.011) [0.009617, 0.3371, 0.1482]\n", + " PeriodicSite: Li (17.23, 5.51, 11.51) [0.8482, 0.2713, 0.5666]\n", + " PeriodicSite: Li (2.246, 17.54, 4.96) [0.1106, 0.8636, 0.2442]\n", + " PeriodicSite: Li (0.3679, 18.41, 11.25) [0.01811, 0.9062, 0.5541]\n", + " PeriodicSite: Li (9.959, 6.97, 2.881) [0.4903, 0.3432, 0.1418]\n", + " PeriodicSite: Li (14.9, 8.061, 13.41) [0.7336, 0.3968, 0.6601]\n", + " PeriodicSite: Li (13.27, 17.42, 20.19) [0.6534, 0.8575, 0.9938]\n", + " PeriodicSite: Li (8.519, 15.35, 17.06) [0.4194, 0.7555, 0.8399]\n", + " PeriodicSite: Li (5.208, 8.26, 3.382) [0.2564, 0.4067, 0.1665]\n", + " PeriodicSite: Li (1.512, 9.551, 11.85) [0.07442, 0.4702, 0.5835]\n", + " PeriodicSite: Li (20.29, 17.27, 2.833) [0.999, 0.85, 0.1395]\n", + " PeriodicSite: Li (2.983, 20.2, 13.52) [0.1468, 0.9944, 0.6657]\n", + " PeriodicSite: Li (16.11, 10.6, 2.847) [0.7933, 0.5216, 0.1401]\n", + " PeriodicSite: Li (13.16, 7.138, 10.66) [0.6479, 0.3514, 0.5247]\n", + " PeriodicSite: Li (12.27, 20.12, 1.577) [0.604, 0.9906, 0.07766]\n", + " PeriodicSite: Li (14.37, 17.34, 10.83) [0.7074, 0.8535, 0.5334]\n", + " PeriodicSite: Li (4.137, 4.387, 2.148) [0.2037, 0.216, 0.1058]\n", + " PeriodicSite: Li (5.101, 8.886, 13.52) [0.2511, 0.4375, 0.6658]\n", + " PeriodicSite: Li (4.631, 18.83, 3.262) [0.228, 0.9268, 0.1606]\n", + " PeriodicSite: Li (2.093, 15.56, 13.1) [0.103, 0.7662, 0.6451]\n", + " PeriodicSite: Li (13.3, 9.675, 4.052) [0.6549, 0.4763, 0.1995]\n", + " PeriodicSite: Li (14.11, 5.063, 12.92) [0.6946, 0.2493, 0.6361]\n", + " PeriodicSite: Li (14.71, 16.33, 1.812) [0.7241, 0.8042, 0.08921]\n", + " PeriodicSite: Li (17.81, 3.615, 14.86) [0.877, 0.178, 0.7315]\n", + " PeriodicSite: Li (10.16, 3.063, 4.026) [0.5003, 0.1508, 0.1982]\n", + " PeriodicSite: Li (9.448, 3.162, 13.04) [0.4652, 0.1557, 0.6422]\n", + " PeriodicSite: Li (5.355, 11.15, 3.049) [0.2636, 0.5487, 0.1501]\n", + " PeriodicSite: Li (2.621, 11.32, 14.93) [0.129, 0.5571, 0.7349]\n", + " PeriodicSite: Li (16.78, 1.4, 4.748) [0.8261, 0.06889, 0.2338]\n", + " PeriodicSite: Li (13.09, 3.713, 9.625) [0.6443, 0.1828, 0.4738]\n", + " PeriodicSite: Li (18.96, 12.88, 0.5791) [0.9335, 0.6341, 0.02851]\n", + " PeriodicSite: Li (17.25, 10.12, 13.41) [0.8491, 0.498, 0.6601]\n", + " PeriodicSite: Li (5.85, 18.64, 6.594) [0.288, 0.9179, 0.3247]\n", + " PeriodicSite: Li (7.15, 1.725, 15.32) [0.352, 0.08492, 0.7543]\n", + " PeriodicSite: Li (8.244, 12.59, 0.2573) [0.4059, 0.62, 0.01267]\n", + " PeriodicSite: Li (8.981, 15.04, 12.96) [0.4422, 0.7404, 0.6378]\n", + " PeriodicSite: Li (15.03, 19.38, 2.706) [0.7401, 0.9542, 0.1332]\n", + " PeriodicSite: Li (19.96, 1.857, 12.02) [0.9826, 0.09143, 0.5916]\n", + " PeriodicSite: Li (18.49, 14.79, 3.021) [0.9104, 0.728, 0.1487]\n", + " PeriodicSite: Li (16.61, 14.7, 12.45) [0.8177, 0.7235, 0.613]\n", + " PeriodicSite: Li (8.294, 5.821, 5.244) [0.4083, 0.2866, 0.2582]\n", + " PeriodicSite: Li (7.053, 0.01052, 13.02) [0.3473, 0.0005156, 0.641]\n", + " PeriodicSite: Li (9.893, 12.83, 3.206) [0.487, 0.6317, 0.1578]\n", + " PeriodicSite: Li (5.222, 13.59, 12.04) [0.2571, 0.6688, 0.5925]\n", + " PeriodicSite: Li (20.16, 2.415, 2.57) [0.9925, 0.1189, 0.1265]\n", + " PeriodicSite: Li (0.8581, 5.9, 13.18) [0.04225, 0.2905, 0.649]\n", + " PeriodicSite: Li (15.96, 13.85, 1.612) [0.7857, 0.6817, 0.07936]\n", + " PeriodicSite: Li (15.29, 12.02, 13.4) [0.7529, 0.5918, 0.6596]\n", + " PeriodicSite: Li (2.959, 1.313, 5.459) [0.1457, 0.06464, 0.2687]\n", + " PeriodicSite: Li (4.914, 1.983, 13.52) [0.2419, 0.09763, 0.6656]\n", + " PeriodicSite: Li (5.262, 13.59, 1.332) [0.2591, 0.669, 0.06557]\n", + " PeriodicSite: Li (7.946, 7.036, 15.31) [0.3912, 0.3464, 0.7535]\n", + " PeriodicSite: Li (18.24, 4.381, 4.422) [0.8978, 0.2157, 0.2177]\n", + " PeriodicSite: Li (16.71, 0.5896, 13.56) [0.8225, 0.02902, 0.6675]\n", + " PeriodicSite: Li (16.5, 13.78, 19.02) [0.8122, 0.6783, 0.9365]\n", + " PeriodicSite: Li (18.73, 11.97, 10.7) [0.9219, 0.5893, 0.5265]\n", + " PeriodicSite: Li (6.912, 3.354, 0.1994) [0.3403, 0.1651, 0.009816]\n", + " PeriodicSite: Li (5.466, 2.764, 10.84) [0.2691, 0.1361, 0.5336]\n", + " PeriodicSite: Li (8.314, 10.11, 1.774) [0.4093, 0.4979, 0.08733]\n", + " PeriodicSite: Li (7.979, 10.72, 11.6) [0.3928, 0.528, 0.571]\n", + " PeriodicSite: Li (15.93, 3.348, 1.761) [0.7841, 0.1648, 0.08668]\n", + " PeriodicSite: Li (15.93, 3.003, 10.58) [0.7843, 0.1479, 0.5211]\n", + " PeriodicSite: Li (0.7161, 11.07, 18.37) [0.03525, 0.5451, 0.9043]\n", + " PeriodicSite: Li (19.77, 13.46, 13.2) [0.9733, 0.6627, 0.65]\n", + " PeriodicSite: Li (7.78, 0.4158, 1.185) [0.383, 0.02046, 0.05834]\n", + " PeriodicSite: Li (8.622, 1.605, 11.03) [0.4245, 0.07901, 0.5431]\n", + " PeriodicSite: Li (7.311, 11.77, 4.892) [0.3599, 0.5795, 0.2408]\n", + " PeriodicSite: Li (4.752, 16.87, 12.2) [0.2339, 0.8308, 0.6008]\n", + " PeriodicSite: Li (18.38, 2.771, 0.3812) [0.9048, 0.1364, 0.01877]\n", + " PeriodicSite: Li (2.279, 7.631, 15.23) [0.1122, 0.3757, 0.7497]\n", + " PeriodicSite: Li (4.34, 14.67, 7.879) [0.2137, 0.7223, 0.3879]\n", + " PeriodicSite: Li (15.32, 13.06, 10.54) [0.7543, 0.6431, 0.5188]\n", + " PeriodicSite: Li (13.69, 9.659, 7.228) [0.6738, 0.4755, 0.3559]\n", + " PeriodicSite: Li (5.239, 8.666, 17.15) [0.2579, 0.4266, 0.8444]\n", + " PeriodicSite: Li (6.845, 13.91, 9.72) [0.337, 0.6847, 0.4785]\n", + " PeriodicSite: Li (5.681, 16.14, 18.14) [0.2797, 0.7948, 0.893]\n", + " PeriodicSite: Li (17.58, 10.11, 7.109) [0.8652, 0.4975, 0.35]\n", + " PeriodicSite: Li (2.716, 4.826, 18.81) [0.1337, 0.2376, 0.926]\n", + " PeriodicSite: Li (17.05, 17.63, 5.059) [0.8393, 0.8679, 0.2491]\n", + " PeriodicSite: Li (19.67, 18.31, 18.09) [0.9685, 0.9014, 0.8905]\n", + " PeriodicSite: Li (7.398, 9.378, 5.991) [0.3642, 0.4617, 0.295]\n", + " PeriodicSite: Li (9.31, 5.613, 17.71) [0.4583, 0.2763, 0.8721]\n", + " PeriodicSite: Li (8.137, 0.08868, 7.853) [0.4006, 0.004363, 0.3866]\n", + " PeriodicSite: Li (7.437, 19.03, 15.84) [0.3661, 0.937, 0.7799]\n", + " PeriodicSite: Li (18.43, 8.233, 10.03) [0.9075, 0.4053, 0.494]\n", + " PeriodicSite: Li (17.39, 5.065, 18.35) [0.8562, 0.2493, 0.9034]\n", + " PeriodicSite: Li (17.44, 19.73, 6.471) [0.8588, 0.9714, 0.3186]\n", + " PeriodicSite: Li (18.29, 15.8, 16.42) [0.9007, 0.7778, 0.8081]\n", + " PeriodicSite: Li (6.448, 4.916, 8.42) [0.3175, 0.242, 0.4145]\n", + " PeriodicSite: Li (6.158, 6.273, 18.51) [0.3032, 0.3088, 0.9113]\n", + " PeriodicSite: Li (9.497, 18.31, 9.217) [0.4675, 0.9012, 0.4538]\n", + " PeriodicSite: Li (12.24, 13.46, 15.48) [0.6024, 0.6627, 0.7623]\n", + " PeriodicSite: Li (20.22, 7.278, 7.1) [0.9953, 0.3583, 0.3495]\n", + " PeriodicSite: Li (19.83, 6.965, 16.92) [0.9764, 0.3429, 0.8328]\n", + " PeriodicSite: Li (17.09, 17.25, 9.608) [0.8412, 0.849, 0.473]\n", + " PeriodicSite: Li (16.83, 16.69, 20.02) [0.8284, 0.8215, 0.9857]\n", + " PeriodicSite: Li (8.307, 8.224, 9.68) [0.4089, 0.4049, 0.4766]\n", + " PeriodicSite: Li (6.417, 6.401, 1.149) [0.3159, 0.3151, 0.05655]\n", + " PeriodicSite: Li (6.34, 16.91, 9.498) [0.3121, 0.8324, 0.4676]\n", + " PeriodicSite: Li (8.117, 14.86, 3.13) [0.3996, 0.7314, 0.1541]\n", + " PeriodicSite: Li (15.79, 6.871, 8.721) [0.7775, 0.3383, 0.4294]\n", + " PeriodicSite: Li (18.78, 8.517, 19.78) [0.9247, 0.4193, 0.9739]\n", + " PeriodicSite: Li (15.17, 17.83, 7.107) [0.7471, 0.8778, 0.3499]\n", + " PeriodicSite: Li (15.76, 18.07, 16.59) [0.7758, 0.8897, 0.8166]\n", + " PeriodicSite: Li (6.79, 4.985, 12.08) [0.3343, 0.2454, 0.5946]\n", + " PeriodicSite: Li (8.426, 9.838, 18.57) [0.4148, 0.4843, 0.9144]\n", + " PeriodicSite: Li (9.025, 17.88, 5.778) [0.4443, 0.8801, 0.2845]\n", + " PeriodicSite: Li (10.37, 18.23, 1.621) [0.5103, 0.8976, 0.0798]\n", + " PeriodicSite: Li (16.14, 8.099, 5.831) [0.7948, 0.3987, 0.287]\n", + " PeriodicSite: Li (14.79, 6.805, 18.75) [0.7279, 0.335, 0.923]\n", + " PeriodicSite: Li (19.83, 16.86, 7.136) [0.9765, 0.8302, 0.3513]\n", + " PeriodicSite: Li (18.24, 0.5277, 1.878) [0.898, 0.02597, 0.09245]\n", + " PeriodicSite: Li (2.566, 9.321, 4.538) [0.1263, 0.4589, 0.2234]\n", + " PeriodicSite: Li (9.4, 7.437, 19.51) [0.4628, 0.3661, 0.9604]\n", + " PeriodicSite: Li (8.386, 15.44, 7.154) [0.4128, 0.7604, 0.3522]\n", + " PeriodicSite: Li (5.695, 20.09, 17.56) [0.2804, 0.9892, 0.8643]\n", + " PeriodicSite: Li (18.06, 5.555, 7.28) [0.8893, 0.2735, 0.3584]\n", + " PeriodicSite: Li (17.08, 12.26, 15.14) [0.841, 0.6038, 0.7453]\n", + " PeriodicSite: Li (1.982, 15.12, 2.883) [0.09755, 0.7443, 0.1419]\n", + " PeriodicSite: Li (13.65, 1.414, 14.2) [0.672, 0.0696, 0.6991]\n", + " PeriodicSite: Cl (7.271, 13.0, 12.61) [0.358, 0.6401, 0.621]\n", + " PeriodicSite: Cl (2.361, 12.63, 17.58) [0.1162, 0.6217, 0.8657]\n", + " PeriodicSite: Cl (12.73, 17.41, 12.45) [0.6267, 0.857, 0.6131]\n", + " PeriodicSite: Cl (17.69, 7.529, 18.02) [0.8711, 0.3707, 0.8871]\n", + " PeriodicSite: Cl (7.023, 2.45, 2.457) [0.3458, 0.1206, 0.121]\n", + " PeriodicSite: Cl (7.388, 7.703, 7.656) [0.3637, 0.3792, 0.3769]\n", + " PeriodicSite: Cl (12.4, 12.52, 7.474) [0.6107, 0.6162, 0.368]\n", + " PeriodicSite: Cl (2.43, 7.729, 1.97) [0.1196, 0.3805, 0.097]\n", + " PeriodicSite: Cl (2.488, 7.484, 12.72) [0.1225, 0.3685, 0.6263]\n", + " PeriodicSite: Cl (12.71, 12.78, 17.78) [0.6255, 0.6293, 0.8752]\n", + " PeriodicSite: Cl (17.84, 17.53, 17.84) [0.8781, 0.8629, 0.8785]\n", + " PeriodicSite: Cl (2.691, 2.503, 7.68) [0.1325, 0.1232, 0.3781]\n", + " PeriodicSite: Cl (12.61, 2.636, 17.96) [0.6207, 0.1298, 0.8841]\n", + " PeriodicSite: Cl (12.27, 7.588, 2.815) [0.6039, 0.3736, 0.1386]\n", + " PeriodicSite: Cl (17.65, 2.742, 12.44) [0.8687, 0.135, 0.6124]\n", + " PeriodicSite: Cl (7.371, 17.91, 18.08) [0.3629, 0.8819, 0.8902]\n", + " PeriodicSite: Cl (0.088, 0.2392, 20.23) [0.004338, 0.01178, 0.9962]\n", + " PeriodicSite: Cl (0.08232, 0.4645, 9.997) [0.004055, 0.02287, 0.4922]\n", + " PeriodicSite: Cl (0.1232, 10.5, 0.3083) [0.006061, 0.5168, 0.01518]\n", + " PeriodicSite: Cl (0.1716, 10.52, 9.987) [0.008445, 0.5178, 0.4917]\n", + " PeriodicSite: Cl (10.05, 19.88, 0.1993) [0.4946, 0.9785, 0.009815]\n", + " PeriodicSite: Cl (10.27, 0.1081, 9.651) [0.5057, 0.00532, 0.4751]\n", + " PeriodicSite: Cl (9.926, 9.833, 20.19) [0.4887, 0.4841, 0.9938]\n", + " PeriodicSite: Cl (9.856, 9.752, 10.13) [0.4852, 0.4801, 0.4985]\n", + " PeriodicSite: Cl (0.138, 5.283, 5.102) [0.006793, 0.2601, 0.2512]\n", + " PeriodicSite: Cl (0.7868, 5.513, 15.49) [0.03874, 0.2714, 0.7627]\n", + " PeriodicSite: Cl (20.15, 15.7, 4.67) [0.9918, 0.7727, 0.2299]\n", + " PeriodicSite: Cl (20.28, 15.27, 14.84) [0.9983, 0.7517, 0.7304]\n", + " PeriodicSite: Cl (10.31, 5.157, 5.138) [0.5077, 0.2539, 0.2529]\n", + " PeriodicSite: Cl (10.01, 5.667, 15.35) [0.4928, 0.279, 0.7556]\n", + " PeriodicSite: Cl (9.703, 15.27, 4.948) [0.4777, 0.7516, 0.2436]\n", + " PeriodicSite: Cl (9.638, 15.86, 15.02) [0.4745, 0.7806, 0.7394]\n", + " PeriodicSite: S (4.947, 0.0005199, 5.145) [0.2435, 2.373e-05, 0.2533]\n", + " PeriodicSite: S (5.326, 0.173, 15.34) [0.2622, 0.008518, 0.755]\n", + " PeriodicSite: S (5.091, 9.984, 5.212) [0.2506, 0.4915, 0.2566]\n", + " PeriodicSite: S (4.948, 10.5, 15.62) [0.2436, 0.517, 0.769]\n", + " PeriodicSite: S (15.31, 19.83, 5.37) [0.7535, 0.9761, 0.2644]\n", + " PeriodicSite: S (15.13, 20.16, 15.39) [0.7451, 0.9926, 0.7576]\n", + " PeriodicSite: S (15.35, 10.2, 5.468) [0.7556, 0.5021, 0.2692]\n", + " PeriodicSite: S (15.32, 10.18, 15.02) [0.7541, 0.501, 0.7393]\n", + " PeriodicSite: S (5.023, 5.065, 20.11) [0.2473, 0.2494, 0.9898]\n", + " PeriodicSite: S (5.014, 4.986, 10.39) [0.2468, 0.2454, 0.5114]\n", + " PeriodicSite: S (4.846, 15.63, 20.3) [0.2386, 0.7695, 0.9992]\n", + " PeriodicSite: S (4.908, 15.15, 10.31) [0.2416, 0.7457, 0.5075]\n", + " PeriodicSite: S (15.09, 5.082, 0.2427) [0.7427, 0.2502, 0.01195]\n", + " PeriodicSite: S (15.02, 5.063, 10.27) [0.7396, 0.2492, 0.5054]\n", + " PeriodicSite: S (15.06, 15.19, 20.13) [0.7413, 0.7477, 0.9912]\n", + " PeriodicSite: S (15.12, 15.42, 10.26) [0.7444, 0.7589, 0.5051]\n", + " PeriodicSite: S (8.502, 3.628, 9.47) [0.4186, 0.1786, 0.4662]\n", + " PeriodicSite: S (9.061, 3.679, 19.11) [0.4461, 0.1811, 0.9406]\n", + " PeriodicSite: S (8.846, 13.52, 8.437) [0.4355, 0.6654, 0.4154]\n", + " PeriodicSite: S (8.777, 14.29, 19.19) [0.4321, 0.7035, 0.9447]\n", + " PeriodicSite: S (18.96, 4.054, 9.06) [0.9333, 0.1996, 0.446]\n", + " PeriodicSite: S (19.54, 4.271, 18.87) [0.9621, 0.2103, 0.9292]\n", + " PeriodicSite: S (18.8, 13.93, 9.493) [0.9257, 0.6858, 0.4674]\n", + " PeriodicSite: S (18.98, 14.22, 18.67) [0.9346, 0.7002, 0.9194]\n", + " PeriodicSite: S (3.612, 1.028, 1.366) [0.1778, 0.05059, 0.06725]\n", + " PeriodicSite: S (3.979, 0.9879, 11.4) [0.1959, 0.04864, 0.5613]\n", + " PeriodicSite: S (3.961, 11.57, 0.9487) [0.195, 0.5697, 0.04671]\n", + " PeriodicSite: S (3.723, 11.52, 11.35) [0.1833, 0.5669, 0.559]\n", + " PeriodicSite: S (14.35, 0.9554, 1.234) [0.7064, 0.04703, 0.06074]\n", + " PeriodicSite: S (14.1, 1.548, 11.55) [0.6942, 0.07621, 0.5686]\n", + " PeriodicSite: S (13.95, 11.43, 1.202) [0.6869, 0.5626, 0.05919]\n", + " PeriodicSite: S (14.15, 11.14, 11.43) [0.6965, 0.5486, 0.5626]\n", + " PeriodicSite: S (6.304, 1.069, 8.896) [0.3104, 0.0526, 0.438]\n", + " PeriodicSite: S (6.145, 1.213, 19.41) [0.3025, 0.05973, 0.9555]\n", + " PeriodicSite: S (6.519, 11.29, 9.374) [0.3209, 0.5559, 0.4615]\n", + " PeriodicSite: S (6.569, 11.2, 19.04) [0.3234, 0.5515, 0.9375]\n", + " PeriodicSite: S (16.18, 1.031, 8.981) [0.7966, 0.05076, 0.4422]\n", + " PeriodicSite: S (16.69, 1.377, 19.43) [0.8219, 0.0678, 0.9567]\n", + " PeriodicSite: S (16.72, 11.28, 9.195) [0.8231, 0.5553, 0.4527]\n", + " PeriodicSite: S (16.17, 11.2, 18.92) [0.796, 0.5515, 0.9315]\n", + " PeriodicSite: S (1.389, 4.306, 1.04) [0.0684, 0.212, 0.05119]\n", + " PeriodicSite: S (1.091, 3.939, 11.34) [0.05372, 0.1939, 0.5582]\n", + " PeriodicSite: S (0.7873, 13.86, 0.9576) [0.03876, 0.6822, 0.04715]\n", + " PeriodicSite: S (1.03, 14.19, 11.47) [0.05069, 0.6985, 0.5649]\n", + " PeriodicSite: S (11.03, 3.704, 1.492) [0.5432, 0.1824, 0.07346]\n", + " PeriodicSite: S (11.15, 3.694, 11.49) [0.5487, 0.1819, 0.5657]\n", + " PeriodicSite: S (11.19, 13.74, 1.102) [0.5507, 0.6766, 0.05426]\n", + " PeriodicSite: S (10.99, 13.93, 11.09) [0.5413, 0.6857, 0.5459]\n", + " PeriodicSite: S (2.612, 2.61, 18.06) [0.1286, 0.1285, 0.8891]\n", + " PeriodicSite: S (2.569, 12.82, 7.372) [0.1265, 0.6312, 0.363]\n", + " PeriodicSite: S (12.81, 2.449, 7.589) [0.6306, 0.1206, 0.3736]\n", + " PeriodicSite: S (8.806, 8.641, 4.285) [0.4335, 0.4254, 0.211]\n", + " PeriodicSite: S (8.639, 9.455, 14.14) [0.4253, 0.4655, 0.6963]\n", + " PeriodicSite: S (8.736, 19.51, 3.656) [0.4301, 0.9604, 0.18]\n", + " PeriodicSite: S (9.18, 19.35, 14.03) [0.452, 0.9525, 0.6908]\n", + " PeriodicSite: S (19.03, 9.423, 3.535) [0.937, 0.4639, 0.174]\n", + " PeriodicSite: S (19.04, 8.631, 14.67) [0.9372, 0.4249, 0.7222]\n", + " PeriodicSite: S (19.1, 19.08, 3.916) [0.9402, 0.9392, 0.1928]\n", + " PeriodicSite: S (19.04, 19.7, 13.67) [0.9374, 0.9699, 0.6731]\n", + " PeriodicSite: S (3.78, 6.291, 6.095) [0.1861, 0.3097, 0.3001]\n", + " PeriodicSite: S (4.055, 6.449, 16.51) [0.1996, 0.3175, 0.8127]\n", + " PeriodicSite: S (3.98, 16.3, 6.284) [0.1959, 0.8025, 0.3094]\n", + " PeriodicSite: S (3.892, 16.29, 16.69) [0.1916, 0.8018, 0.8216]\n", + " PeriodicSite: S (14.59, 6.1, 6.532) [0.7185, 0.3003, 0.3216]\n", + " PeriodicSite: S (14.38, 6.781, 16.6) [0.7081, 0.3338, 0.8172]\n", + " PeriodicSite: S (13.94, 16.2, 5.832) [0.6861, 0.7976, 0.2871]\n", + " PeriodicSite: S (13.76, 16.42, 16.05) [0.6775, 0.8086, 0.7903]\n", + " PeriodicSite: S (5.992, 5.783, 3.529) [0.295, 0.2847, 0.1738]\n", + " PeriodicSite: S (5.964, 6.3, 13.94) [0.2936, 0.3101, 0.6862]\n", + " PeriodicSite: S (6.314, 16.57, 3.841) [0.3108, 0.8158, 0.1891]\n", + " PeriodicSite: S (5.96, 16.57, 14.11) [0.2934, 0.8158, 0.6947]\n", + " PeriodicSite: S (16.69, 6.326, 3.948) [0.8215, 0.3114, 0.1944]\n", + " PeriodicSite: S (16.43, 5.879, 14.34) [0.8089, 0.2894, 0.7058]\n", + " PeriodicSite: S (16.5, 15.81, 3.438) [0.8122, 0.7785, 0.1692]\n", + " PeriodicSite: S (16.57, 16.38, 14.21) [0.8156, 0.8066, 0.6995]\n", + " PeriodicSite: S (0.9457, 8.981, 6.04) [0.04655, 0.4421, 0.2974]\n", + " PeriodicSite: S (1.284, 9.295, 16.51) [0.06322, 0.4576, 0.8128]\n", + " PeriodicSite: S (0.9766, 18.77, 6.293) [0.04807, 0.9242, 0.3098]\n", + " PeriodicSite: S (0.7778, 19.65, 16.32) [0.03829, 0.9671, 0.8035]\n", + " PeriodicSite: S (11.61, 8.803, 6.187) [0.5717, 0.4334, 0.3046]\n", + " PeriodicSite: S (11.46, 9.156, 16.41) [0.5642, 0.4507, 0.8079]\n", + " PeriodicSite: S (11.39, 18.89, 5.858) [0.5607, 0.9298, 0.2884]\n", + " PeriodicSite: S (11.53, 19.34, 16.38) [0.5675, 0.952, 0.8064]\n", + " PeriodicSite: S (2.512, 17.72, 2.413) [0.1236, 0.8723, 0.1188]\n", + " PeriodicSite: S (2.339, 17.93, 12.65) [0.1151, 0.8829, 0.6228]\n", + " PeriodicSite: S (12.69, 8.0, 12.87) [0.625, 0.3939, 0.6338]\n", + " PeriodicSite: S (12.87, 17.72, 2.202) [0.6338, 0.8725, 0.1084]\n", + " PeriodicSite: S (3.677, 3.508, 4.309) [0.181, 0.1727, 0.2121]\n", + " PeriodicSite: S (3.682, 3.978, 14.49) [0.1813, 0.1958, 0.7133]\n", + " PeriodicSite: S (3.944, 14.1, 3.767) [0.1942, 0.6943, 0.1854]\n", + " PeriodicSite: S (3.824, 13.92, 14.14) [0.1883, 0.6853, 0.6963]\n", + " PeriodicSite: S (14.42, 3.969, 3.86) [0.7098, 0.1954, 0.1901]\n", + " PeriodicSite: S (13.71, 3.935, 14.83) [0.675, 0.1937, 0.7303]\n", + " PeriodicSite: S (13.95, 13.75, 3.753) [0.6867, 0.6771, 0.1848]\n", + " PeriodicSite: S (14.18, 13.91, 13.86) [0.6983, 0.6847, 0.6821]\n", + " PeriodicSite: S (9.438, 1.487, 6.027) [0.4646, 0.0732, 0.2967]\n", + " PeriodicSite: S (8.958, 0.8126, 16.89) [0.441, 0.04, 0.8317]\n", + " PeriodicSite: S (9.448, 11.39, 6.095) [0.4652, 0.5606, 0.3001]\n", + " PeriodicSite: S (9.394, 11.48, 17.07) [0.4625, 0.565, 0.8402]\n", + " PeriodicSite: S (19.11, 1.144, 6.132) [0.9409, 0.05629, 0.3019]\n", + " PeriodicSite: S (19.05, 2.004, 16.03) [0.9378, 0.09864, 0.789]\n", + " PeriodicSite: S (19.3, 11.82, 6.009) [0.9501, 0.5821, 0.2958]\n", + " PeriodicSite: S (19.2, 11.54, 16.44) [0.9453, 0.568, 0.8094]\n", + " PeriodicSite: S (1.143, 0.9705, 3.916) [0.05627, 0.04778, 0.1928]\n", + " PeriodicSite: S (1.205, 1.629, 14.01) [0.0593, 0.08022, 0.6898]\n", + " PeriodicSite: S (1.478, 11.39, 3.774) [0.07274, 0.5606, 0.1858]\n", + " PeriodicSite: S (0.8424, 11.2, 13.78) [0.04147, 0.5516, 0.6784]\n", + " PeriodicSite: S (11.72, 0.9111, 3.604) [0.5769, 0.04485, 0.1774]\n", + " PeriodicSite: S (11.11, 1.718, 14.33) [0.547, 0.08459, 0.7053]\n", + " PeriodicSite: S (11.31, 10.84, 3.464) [0.557, 0.5338, 0.1705]\n", + " PeriodicSite: S (11.19, 11.76, 14.12) [0.5511, 0.5792, 0.6953]\n", + " PeriodicSite: S (6.388, 4.014, 6.287) [0.3145, 0.1976, 0.3095]\n", + " PeriodicSite: S (6.411, 3.973, 16.43) [0.3156, 0.1956, 0.809]\n", + " PeriodicSite: S (6.303, 13.84, 6.118) [0.3103, 0.6814, 0.3012]\n", + " PeriodicSite: S (6.301, 14.1, 16.46) [0.3102, 0.694, 0.8102]\n", + " PeriodicSite: S (16.82, 3.66, 6.081) [0.8279, 0.1802, 0.2994]\n", + " PeriodicSite: S (16.2, 3.795, 16.89) [0.7975, 0.1868, 0.8314]\n", + " PeriodicSite: S (16.25, 13.73, 6.18) [0.8, 0.6757, 0.3042]\n", + " PeriodicSite: S (16.23, 14.14, 16.38) [0.7992, 0.6961, 0.8064]\n", + " PeriodicSite: S (7.091, 2.382, 12.85) [0.3491, 0.1173, 0.6325]\n", + " PeriodicSite: S (7.515, 12.48, 2.5) [0.37, 0.6143, 0.1231]\n", + " PeriodicSite: S (17.85, 2.901, 2.672) [0.8789, 0.1428, 0.1316]\n", + " PeriodicSite: S (17.7, 12.5, 2.534) [0.8715, 0.6156, 0.1248]\n", + " PeriodicSite: S (17.56, 12.59, 12.83) [0.8643, 0.6196, 0.6316]\n", + " PeriodicSite: S (3.935, 9.328, 8.629) [0.1937, 0.4592, 0.4248]\n", + " PeriodicSite: S (3.758, 8.931, 19.3) [0.185, 0.4397, 0.9502]\n", + " PeriodicSite: S (4.163, 18.98, 8.923) [0.2049, 0.9346, 0.4393]\n", + " PeriodicSite: S (3.774, 19.0, 19.31) [0.1858, 0.9354, 0.9505]\n", + " PeriodicSite: S (14.26, 8.723, 9.116) [0.7021, 0.4294, 0.4488]\n", + " PeriodicSite: S (13.77, 9.164, 19.03) [0.6782, 0.4512, 0.937]\n", + " PeriodicSite: S (13.73, 19.23, 9.113) [0.6761, 0.947, 0.4486]\n", + " PeriodicSite: S (14.54, 19.0, 18.9) [0.7157, 0.9352, 0.9305]\n", + " PeriodicSite: S (8.749, 6.21, 1.046) [0.4307, 0.3057, 0.05152]\n", + " PeriodicSite: S (8.759, 6.289, 11.44) [0.4312, 0.3096, 0.5633]\n", + " PeriodicSite: S (8.959, 16.41, 1.255) [0.4411, 0.8077, 0.06177]\n", + " PeriodicSite: S (8.316, 15.87, 10.74) [0.4094, 0.7813, 0.5289]\n", + " PeriodicSite: S (19.15, 6.54, 1.078) [0.9426, 0.322, 0.05306]\n", + " PeriodicSite: S (19.35, 6.465, 11.53) [0.9526, 0.3183, 0.5678]\n", + " PeriodicSite: S (18.97, 16.43, 1.059) [0.9341, 0.8091, 0.05213]\n", + " PeriodicSite: S (19.04, 16.66, 11.54) [0.9375, 0.8203, 0.5684]\n", + " PeriodicSite: S (1.116, 6.149, 8.692) [0.05496, 0.3027, 0.4279]\n", + " PeriodicSite: S (1.407, 6.624, 19.09) [0.06927, 0.3261, 0.94]\n", + " PeriodicSite: S (0.8132, 16.54, 9.105) [0.04003, 0.8141, 0.4482]\n", + " PeriodicSite: S (1.049, 16.65, 19.11) [0.05163, 0.8195, 0.941]\n", + " PeriodicSite: S (11.15, 5.866, 9.125) [0.5489, 0.2888, 0.4492]\n", + " PeriodicSite: S (11.3, 6.141, 19.18) [0.5561, 0.3023, 0.9442]\n", + " PeriodicSite: S (10.86, 16.31, 8.522) [0.5349, 0.8031, 0.4196]\n", + " PeriodicSite: S (11.28, 16.64, 19.1) [0.5555, 0.8194, 0.9403]\n", + " PeriodicSite: S (6.175, 8.955, 1.335) [0.304, 0.4409, 0.06572]\n", + " PeriodicSite: S (5.956, 8.886, 11.28) [0.2932, 0.4375, 0.5556]\n", + " PeriodicSite: S (5.992, 19.06, 1.468) [0.295, 0.9386, 0.07229]\n", + " PeriodicSite: S (6.64, 18.92, 11.31) [0.3269, 0.9313, 0.5566]\n", + " PeriodicSite: S (16.49, 8.92, 1.068) [0.8121, 0.4391, 0.05259]\n", + " PeriodicSite: S (16.64, 8.776, 11.55) [0.8193, 0.432, 0.5687]\n", + " PeriodicSite: S (16.64, 18.86, 1.038) [0.8193, 0.9286, 0.05109]\n", + " PeriodicSite: S (16.2, 19.26, 11.61) [0.7974, 0.9483, 0.5715]\n", + " PeriodicSite: S (7.764, 7.695, 17.67) [0.3822, 0.3788, 0.8697]\n", + " PeriodicSite: S (7.752, 17.82, 7.589) [0.3816, 0.8771, 0.3736]\n", + " PeriodicSite: S (17.87, 7.739, 7.581) [0.8798, 0.381, 0.3732]\n", + " PeriodicSite: S (17.59, 17.26, 7.207) [0.8662, 0.8496, 0.3548]\n", + " PeriodicSite: P (4.82, 20.17, 0.1496) [0.2373, 0.9928, 0.007369]\n", + " PeriodicSite: P (5.369, 20.12, 10.18) [0.2643, 0.9906, 0.5012]\n", + " PeriodicSite: P (5.147, 10.13, 20.17) [0.2534, 0.4987, 0.9931]\n", + " PeriodicSite: P (4.885, 10.31, 10.21) [0.2405, 0.5074, 0.5028]\n", + " PeriodicSite: P (15.52, 20.2, 20.23) [0.7641, 0.9945, 0.9959]\n", + " PeriodicSite: P (15.03, 0.1052, 10.33) [0.7398, 0.005172, 0.5087]\n", + " PeriodicSite: P (15.11, 10.19, 20.27) [0.744, 0.5018, 0.998]\n", + " PeriodicSite: P (15.38, 10.03, 10.32) [0.7571, 0.4936, 0.5079]\n", + " PeriodicSite: P (4.914, 4.857, 5.133) [0.2419, 0.2391, 0.2527]\n", + " PeriodicSite: P (5.099, 5.102, 15.44) [0.251, 0.2512, 0.76]\n", + " PeriodicSite: P (5.105, 15.31, 5.009) [0.2513, 0.7538, 0.2466]\n", + " PeriodicSite: P (4.959, 15.26, 15.33) [0.2441, 0.7511, 0.7549]\n", + " PeriodicSite: P (15.57, 5.024, 5.13) [0.7663, 0.2473, 0.2525]\n", + " PeriodicSite: P (15.1, 5.152, 15.71) [0.7435, 0.2536, 0.7737]\n", + " PeriodicSite: P (15.14, 14.89, 4.81) [0.7453, 0.7329, 0.2368]\n", + " PeriodicSite: P (15.15, 15.3, 15.06) [0.746, 0.7532, 0.7412]\n", + " PeriodicSite: P (20.31, 20.1, 5.195) [0.9998, 0.9894, 0.2558]\n", + " PeriodicSite: P (20.09, 0.4996, 14.95) [0.9892, 0.02459, 0.7358]\n", + " PeriodicSite: P (20.23, 10.33, 4.845) [0.9959, 0.5085, 0.2385]\n", + " PeriodicSite: P (20.22, 10.13, 15.33) [0.9953, 0.4986, 0.7549]\n", + " PeriodicSite: P (10.19, 20.31, 4.716) [0.5015, 0.9999, 0.2322]\n", + " PeriodicSite: P (10.14, 0.1825, 15.31) [0.4992, 0.008983, 0.7536]\n", + " PeriodicSite: P (10.41, 9.823, 5.003) [0.5123, 0.4836, 0.2463]\n", + " PeriodicSite: P (10.23, 10.39, 15.29) [0.5034, 0.5116, 0.7528]\n", + " PeriodicSite: P (0.1931, 5.528, 20.21) [0.009509, 0.2721, 0.9952]\n", + " PeriodicSite: P (0.01591, 5.19, 10.1) [0.0007834, 0.2555, 0.4973]\n", + " PeriodicSite: P (20.17, 15.41, 20.12) [0.9929, 0.7586, 0.9905]\n", + " PeriodicSite: P (20.03, 15.33, 10.41) [0.9863, 0.7545, 0.5125]\n", + " PeriodicSite: P (10.13, 4.838, 0.106) [0.4989, 0.2382, 0.005223]\n", + " PeriodicSite: P (9.847, 4.891, 10.4) [0.4848, 0.2408, 0.512]\n", + " PeriodicSite: P (10.18, 15.27, 20.3) [0.5012, 0.7515, 0.9996]\n", + " PeriodicSite: P (9.902, 14.97, 9.762) [0.4875, 0.7368, 0.4806],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.989, 4.535, 5.877) [0.0979, 0.2232, 0.2893]\n", + " PeriodicSite: Li (0.4595, 3.486, 16.44) [0.02262, 0.1716, 0.8094]\n", + " PeriodicSite: Li (0.4229, 12.92, 8.349) [0.02082, 0.6359, 0.4111]\n", + " PeriodicSite: Li (0.4482, 13.4, 17.02) [0.02206, 0.6596, 0.8379]\n", + " PeriodicSite: Li (14.64, 0.6874, 7.553) [0.7207, 0.03384, 0.3718]\n", + " PeriodicSite: Li (11.66, 3.517, 15.99) [0.5741, 0.1731, 0.7873]\n", + " PeriodicSite: Li (17.34, 12.05, 4.803) [0.8537, 0.593, 0.2365]\n", + " PeriodicSite: Li (16.38, 8.385, 16.29) [0.8065, 0.4128, 0.8021]\n", + " PeriodicSite: Li (2.954, 4.359, 9.59) [0.1454, 0.2146, 0.4721]\n", + " PeriodicSite: Li (1.919, 0.3186, 18.25) [0.09447, 0.01568, 0.8985]\n", + " PeriodicSite: Li (4.838, 8.262, 6.921) [0.2382, 0.4068, 0.3408]\n", + " PeriodicSite: Li (7.484, 9.916, 16.14) [0.3684, 0.4882, 0.7943]\n", + " PeriodicSite: Li (11.1, 4.099, 7.008) [0.5466, 0.2018, 0.345]\n", + " PeriodicSite: Li (13.17, 4.81, 0.7765) [0.6482, 0.2368, 0.03823]\n", + " PeriodicSite: Li (12.0, 9.262, 11.0) [0.591, 0.456, 0.5414]\n", + " PeriodicSite: Li (10.13, 18.78, 18.48) [0.4988, 0.9245, 0.9098]\n", + " PeriodicSite: Li (5.167, 1.6, 7.643) [0.2544, 0.07876, 0.3763]\n", + " PeriodicSite: Li (3.908, 1.625, 16.28) [0.1924, 0.08001, 0.8016]\n", + " PeriodicSite: Li (4.518, 11.08, 7.273) [0.2224, 0.5456, 0.358]\n", + " PeriodicSite: Li (5.995, 12.37, 14.89) [0.2952, 0.6088, 0.7331]\n", + " PeriodicSite: Li (12.33, 0.9622, 9.984) [0.6068, 0.04737, 0.4915]\n", + " PeriodicSite: Li (10.21, 1.432, 18.25) [0.5029, 0.07049, 0.8985]\n", + " PeriodicSite: Li (13.14, 14.68, 7.995) [0.6471, 0.7227, 0.3936]\n", + " PeriodicSite: Li (11.5, 11.32, 17.67) [0.566, 0.5574, 0.8698]\n", + " PeriodicSite: Li (20.23, 1.839, 8.327) [0.9961, 0.09051, 0.4099]\n", + " PeriodicSite: Li (0.773, 2.736, 19.8) [0.03806, 0.1347, 0.9745]\n", + " PeriodicSite: Li (1.068, 13.49, 5.591) [0.05259, 0.6639, 0.2753]\n", + " PeriodicSite: Li (2.824, 14.33, 19.68) [0.139, 0.7056, 0.9686]\n", + " PeriodicSite: Li (13.4, 1.419, 5.353) [0.6598, 0.06987, 0.2635]\n", + " PeriodicSite: Li (13.78, 0.4327, 16.99) [0.6786, 0.0213, 0.8366]\n", + " PeriodicSite: Li (9.317, 11.43, 8.654) [0.4587, 0.5626, 0.4261]\n", + " PeriodicSite: Li (14.54, 14.7, 17.9) [0.716, 0.7236, 0.8814]\n", + " PeriodicSite: Li (7.092, 0.4794, 4.578) [0.3492, 0.0236, 0.2254]\n", + " PeriodicSite: Li (1.893, 19.55, 1.773) [0.09319, 0.9623, 0.08729]\n", + " PeriodicSite: Li (2.72, 13.47, 10.02) [0.1339, 0.6629, 0.4934]\n", + " PeriodicSite: Li (1.146, 17.39, 14.92) [0.05644, 0.8561, 0.7346]\n", + " PeriodicSite: Li (14.66, 3.968, 7.777) [0.7215, 0.1953, 0.3829]\n", + " PeriodicSite: Li (14.69, 3.4, 18.94) [0.7231, 0.1674, 0.9322]\n", + " PeriodicSite: Li (16.12, 15.74, 7.723) [0.7938, 0.775, 0.3802]\n", + " PeriodicSite: Li (13.22, 13.58, 19.99) [0.6507, 0.6686, 0.9843]\n", + " PeriodicSite: Li (5.036, 1.682, 3.336) [0.248, 0.08282, 0.1642]\n", + " PeriodicSite: Li (3.971, 2.779, 19.6) [0.1955, 0.1368, 0.9649]\n", + " PeriodicSite: Li (3.369, 12.16, 5.273) [0.1659, 0.5985, 0.2596]\n", + " PeriodicSite: Li (19.28, 11.12, 2.33) [0.949, 0.5475, 0.1147]\n", + " PeriodicSite: Li (11.03, 0.8174, 7.364) [0.5428, 0.04024, 0.3625]\n", + " PeriodicSite: Li (17.01, 1.36, 16.29) [0.8372, 0.06694, 0.8019]\n", + " PeriodicSite: Li (14.25, 12.5, 5.609) [0.7015, 0.6153, 0.2762]\n", + " PeriodicSite: Li (14.83, 10.49, 17.09) [0.7301, 0.5163, 0.8412]\n", + " PeriodicSite: Li (4.978, 11.6, 17.37) [0.2451, 0.5712, 0.8549]\n", + " PeriodicSite: Li (1.682, 10.15, 8.289) [0.08281, 0.4998, 0.4081]\n", + " PeriodicSite: Li (3.218, 17.07, 0.1912) [0.1584, 0.8402, 0.009413]\n", + " PeriodicSite: Li (2.513, 0.5806, 9.716) [0.1237, 0.02858, 0.4783]\n", + " PeriodicSite: Li (12.84, 5.871, 4.365) [0.6321, 0.289, 0.2149]\n", + " PeriodicSite: Li (13.0, 10.02, 14.31) [0.6401, 0.4934, 0.7045]\n", + " PeriodicSite: Li (10.38, 13.33, 6.562) [0.5109, 0.6564, 0.323]\n", + " PeriodicSite: Li (14.78, 18.22, 13.94) [0.7277, 0.8972, 0.6861]\n", + " PeriodicSite: Li (3.188, 7.107, 0.02815) [0.1569, 0.3499, 0.001388]\n", + " PeriodicSite: Li (3.674, 5.167, 12.36) [0.1809, 0.2544, 0.6086]\n", + " PeriodicSite: Li (6.918, 16.72, 0.1799) [0.3406, 0.823, 0.008862]\n", + " PeriodicSite: Li (4.079, 18.12, 14.76) [0.2008, 0.8923, 0.7265]\n", + " PeriodicSite: Li (16.46, 6.631, 1.463) [0.8105, 0.3264, 0.07205]\n", + " PeriodicSite: Li (10.82, 6.391, 13.08) [0.5325, 0.3146, 0.6438]\n", + " PeriodicSite: Li (12.99, 18.19, 4.806) [0.6393, 0.8957, 0.2366]\n", + " PeriodicSite: Li (11.51, 17.75, 14.43) [0.5664, 0.8738, 0.7104]\n", + " PeriodicSite: Li (1.863, 10.24, 1.776) [0.09173, 0.5041, 0.08746]\n", + " PeriodicSite: Li (3.924, 7.256, 10.18) [0.1932, 0.3572, 0.5011]\n", + " PeriodicSite: Li (4.52, 15.91, 2.412) [0.2225, 0.7832, 0.1187]\n", + " PeriodicSite: Li (2.796, 16.81, 10.37) [0.1376, 0.8276, 0.5104]\n", + " PeriodicSite: Li (12.24, 9.304, 1.413) [0.6025, 0.458, 0.06959]\n", + " PeriodicSite: Li (12.84, 7.182, 15.1) [0.6319, 0.3536, 0.7434]\n", + " PeriodicSite: Li (11.66, 15.82, 2.57) [0.574, 0.7786, 0.1265]\n", + " PeriodicSite: Li (13.26, 14.92, 11.85) [0.6526, 0.7346, 0.5833]\n", + " PeriodicSite: Li (0.2079, 7.282, 3.587) [0.01023, 0.3585, 0.1766]\n", + " PeriodicSite: Li (17.28, 5.639, 10.18) [0.8508, 0.2776, 0.5011]\n", + " PeriodicSite: Li (2.449, 17.56, 4.748) [0.1206, 0.8644, 0.2338]\n", + " PeriodicSite: Li (0.1843, 18.67, 12.1) [0.009067, 0.9191, 0.5955]\n", + " PeriodicSite: Li (9.95, 6.544, 3.498) [0.4898, 0.3222, 0.1722]\n", + " PeriodicSite: Li (15.17, 8.246, 13.26) [0.7468, 0.406, 0.6527]\n", + " PeriodicSite: Li (13.35, 16.97, 20.11) [0.6573, 0.8355, 0.9902]\n", + " PeriodicSite: Li (8.226, 15.79, 16.72) [0.4049, 0.7773, 0.8234]\n", + " PeriodicSite: Li (4.869, 7.975, 3.311) [0.2397, 0.3926, 0.163]\n", + " PeriodicSite: Li (1.844, 9.402, 12.09) [0.0908, 0.4629, 0.5951]\n", + " PeriodicSite: Li (20.22, 17.35, 2.981) [0.9952, 0.8541, 0.1468]\n", + " PeriodicSite: Li (3.077, 20.31, 13.68) [0.1515, 0.9999, 0.6736]\n", + " PeriodicSite: Li (15.93, 10.75, 2.908) [0.7842, 0.5292, 0.1432]\n", + " PeriodicSite: Li (13.11, 7.028, 10.14) [0.6453, 0.346, 0.4994]\n", + " PeriodicSite: Li (12.86, 19.73, 0.6204) [0.6329, 0.9712, 0.03055]\n", + " PeriodicSite: Li (14.72, 17.34, 10.97) [0.7249, 0.8535, 0.5401]\n", + " PeriodicSite: Li (3.824, 4.876, 1.959) [0.1883, 0.24, 0.09646]\n", + " PeriodicSite: Li (4.764, 8.469, 14.1) [0.2346, 0.4169, 0.6941]\n", + " PeriodicSite: Li (4.793, 18.7, 3.28) [0.2359, 0.9208, 0.1615]\n", + " PeriodicSite: Li (2.282, 15.33, 13.49) [0.1124, 0.7549, 0.6639]\n", + " PeriodicSite: Li (13.39, 9.054, 4.075) [0.6594, 0.4457, 0.2006]\n", + " PeriodicSite: Li (14.42, 5.734, 12.77) [0.7099, 0.2823, 0.6289]\n", + " PeriodicSite: Li (14.81, 16.51, 2.072) [0.7289, 0.8126, 0.102]\n", + " PeriodicSite: Li (18.0, 3.568, 14.54) [0.8861, 0.1756, 0.7156]\n", + " PeriodicSite: Li (9.701, 3.169, 3.072) [0.4776, 0.156, 0.1512]\n", + " PeriodicSite: Li (9.47, 3.681, 13.72) [0.4662, 0.1812, 0.6755]\n", + " PeriodicSite: Li (5.803, 10.9, 2.894) [0.2857, 0.5368, 0.1425]\n", + " PeriodicSite: Li (2.632, 11.49, 15.7) [0.1296, 0.5657, 0.773]\n", + " PeriodicSite: Li (17.3, 1.336, 4.474) [0.8517, 0.06577, 0.2203]\n", + " PeriodicSite: Li (12.67, 3.696, 9.709) [0.6239, 0.1819, 0.478]\n", + " PeriodicSite: Li (18.81, 11.98, 19.66) [0.9259, 0.5899, 0.9679]\n", + " PeriodicSite: Li (17.39, 10.24, 13.59) [0.856, 0.5042, 0.669]\n", + " PeriodicSite: Li (5.537, 18.73, 6.744) [0.2726, 0.9221, 0.332]\n", + " PeriodicSite: Li (7.213, 2.453, 15.42) [0.3551, 0.1208, 0.7591]\n", + " PeriodicSite: Li (7.929, 12.78, 0.007998) [0.3903, 0.629, 0.0003969]\n", + " PeriodicSite: Li (8.913, 14.69, 13.2) [0.4388, 0.7233, 0.6497]\n", + " PeriodicSite: Li (14.66, 19.7, 2.679) [0.7215, 0.97, 0.1319]\n", + " PeriodicSite: Li (20.18, 1.993, 11.9) [0.9936, 0.09812, 0.5861]\n", + " PeriodicSite: Li (18.44, 14.5, 2.956) [0.9078, 0.7138, 0.1455]\n", + " PeriodicSite: Li (16.99, 14.89, 11.93) [0.8363, 0.7329, 0.5871]\n", + " PeriodicSite: Li (7.745, 5.75, 5.57) [0.3813, 0.2831, 0.2742]\n", + " PeriodicSite: Li (7.213, 0.2295, 13.04) [0.3551, 0.0113, 0.6418]\n", + " PeriodicSite: Li (10.16, 12.73, 2.142) [0.5, 0.6268, 0.1055]\n", + " PeriodicSite: Li (4.79, 13.37, 12.14) [0.2358, 0.6581, 0.5975]\n", + " PeriodicSite: Li (0.1419, 2.578, 3.449) [0.006986, 0.1269, 0.1698]\n", + " PeriodicSite: Li (0.2309, 5.702, 12.92) [0.01137, 0.2807, 0.6358]\n", + " PeriodicSite: Li (15.6, 13.35, 1.291) [0.7682, 0.6571, 0.06356]\n", + " PeriodicSite: Li (15.34, 12.31, 13.32) [0.7551, 0.6059, 0.6559]\n", + " PeriodicSite: Li (2.731, 0.1695, 5.814) [0.1345, 0.008342, 0.2862]\n", + " PeriodicSite: Li (5.243, 2.199, 13.57) [0.2581, 0.1082, 0.6678]\n", + " PeriodicSite: Li (5.555, 13.21, 1.128) [0.2735, 0.6501, 0.05551]\n", + " PeriodicSite: Li (7.696, 7.401, 15.28) [0.3789, 0.3644, 0.7522]\n", + " PeriodicSite: Li (18.32, 4.753, 2.595) [0.9017, 0.234, 0.1278]\n", + " PeriodicSite: Li (17.11, 0.5072, 13.22) [0.8421, 0.02496, 0.6509]\n", + " PeriodicSite: Li (16.68, 13.82, 19.1) [0.8211, 0.6805, 0.9401]\n", + " PeriodicSite: Li (18.49, 11.98, 10.73) [0.9102, 0.59, 0.5281]\n", + " PeriodicSite: Li (6.526, 3.105, 0.3491) [0.3213, 0.1529, 0.01719]\n", + " PeriodicSite: Li (5.553, 3.024, 11.18) [0.2734, 0.1489, 0.5503]\n", + " PeriodicSite: Li (8.468, 10.15, 1.764) [0.4169, 0.4996, 0.08683]\n", + " PeriodicSite: Li (8.285, 10.39, 12.0) [0.4079, 0.5116, 0.591]\n", + " PeriodicSite: Li (15.9, 3.109, 2.106) [0.7828, 0.1531, 0.1037]\n", + " PeriodicSite: Li (16.12, 2.932, 10.31) [0.7936, 0.1444, 0.5076]\n", + " PeriodicSite: Li (1.957, 10.43, 18.7) [0.09634, 0.5136, 0.9204]\n", + " PeriodicSite: Li (19.71, 13.39, 13.41) [0.9702, 0.659, 0.6602]\n", + " PeriodicSite: Li (7.932, 0.1339, 1.337) [0.3905, 0.006591, 0.0658]\n", + " PeriodicSite: Li (8.868, 2.028, 10.87) [0.4366, 0.09984, 0.5354]\n", + " PeriodicSite: Li (7.273, 12.59, 4.691) [0.358, 0.6197, 0.2309]\n", + " PeriodicSite: Li (4.741, 16.93, 12.53) [0.2334, 0.8333, 0.6167]\n", + " PeriodicSite: Li (17.53, 2.971, 0.1646) [0.863, 0.1462, 0.008111]\n", + " PeriodicSite: Li (2.127, 7.18, 15.41) [0.1047, 0.3535, 0.7586]\n", + " PeriodicSite: Li (3.922, 14.41, 7.974) [0.1931, 0.7094, 0.3926]\n", + " PeriodicSite: Li (15.34, 13.25, 9.799) [0.7553, 0.6524, 0.4824]\n", + " PeriodicSite: Li (13.44, 9.724, 6.94) [0.6618, 0.4787, 0.3417]\n", + " PeriodicSite: Li (5.628, 9.046, 17.38) [0.2771, 0.4453, 0.8557]\n", + " PeriodicSite: Li (6.963, 14.45, 10.39) [0.3428, 0.7116, 0.5114]\n", + " PeriodicSite: Li (5.225, 15.89, 18.08) [0.2572, 0.7823, 0.8902]\n", + " PeriodicSite: Li (16.98, 10.17, 7.296) [0.8361, 0.5005, 0.3592]\n", + " PeriodicSite: Li (3.038, 4.873, 18.24) [0.1496, 0.2399, 0.8978]\n", + " PeriodicSite: Li (16.62, 18.07, 5.479) [0.8182, 0.8896, 0.2698]\n", + " PeriodicSite: Li (19.32, 18.86, 18.85) [0.9514, 0.9287, 0.9282]\n", + " PeriodicSite: Li (7.224, 9.371, 5.688) [0.3556, 0.4613, 0.2801]\n", + " PeriodicSite: Li (9.451, 5.569, 17.75) [0.4653, 0.2742, 0.8739]\n", + " PeriodicSite: Li (7.865, 20.18, 7.576) [0.3872, 0.9936, 0.373]\n", + " PeriodicSite: Li (7.369, 18.79, 15.41) [0.3628, 0.9252, 0.7588]\n", + " PeriodicSite: Li (18.41, 8.279, 9.747) [0.9062, 0.4076, 0.4799]\n", + " PeriodicSite: Li (17.18, 5.593, 18.38) [0.8456, 0.2754, 0.905]\n", + " PeriodicSite: Li (17.67, 19.86, 7.351) [0.87, 0.9778, 0.3619]\n", + " PeriodicSite: Li (18.48, 16.07, 16.25) [0.9099, 0.7911, 0.8002]\n", + " PeriodicSite: Li (6.528, 5.321, 8.274) [0.3214, 0.262, 0.4073]\n", + " PeriodicSite: Li (6.019, 5.853, 18.35) [0.2963, 0.2882, 0.9033]\n", + " PeriodicSite: Li (9.413, 18.13, 9.192) [0.4634, 0.8925, 0.4525]\n", + " PeriodicSite: Li (12.21, 13.98, 15.38) [0.6013, 0.6884, 0.7572]\n", + " PeriodicSite: Li (20.2, 7.228, 6.726) [0.9943, 0.3559, 0.3311]\n", + " PeriodicSite: Li (19.96, 7.46, 17.19) [0.9827, 0.3672, 0.8464]\n", + " PeriodicSite: Li (17.51, 17.46, 9.655) [0.8619, 0.8595, 0.4753]\n", + " PeriodicSite: Li (16.47, 17.09, 19.68) [0.8106, 0.8415, 0.9688]\n", + " PeriodicSite: Li (8.073, 7.998, 10.1) [0.3974, 0.3937, 0.4973]\n", + " PeriodicSite: Li (6.492, 6.43, 0.5565) [0.3196, 0.3166, 0.0274]\n", + " PeriodicSite: Li (6.213, 17.0, 9.355) [0.3059, 0.8371, 0.4606]\n", + " PeriodicSite: Li (7.87, 14.81, 2.914) [0.3875, 0.7289, 0.1435]\n", + " PeriodicSite: Li (15.37, 6.888, 8.754) [0.7569, 0.3391, 0.431]\n", + " PeriodicSite: Li (18.32, 8.394, 0.0345) [0.902, 0.4132, 0.001704]\n", + " PeriodicSite: Li (14.94, 18.23, 7.372) [0.7356, 0.8974, 0.3629]\n", + " PeriodicSite: Li (15.69, 18.7, 16.78) [0.7723, 0.9205, 0.8262]\n", + " PeriodicSite: Li (6.888, 5.171, 11.76) [0.3391, 0.2546, 0.5791]\n", + " PeriodicSite: Li (8.644, 9.968, 18.65) [0.4256, 0.4907, 0.9182]\n", + " PeriodicSite: Li (8.499, 17.38, 5.406) [0.4184, 0.8556, 0.2661]\n", + " PeriodicSite: Li (10.7, 18.38, 2.092) [0.5265, 0.9047, 0.103]\n", + " PeriodicSite: Li (15.91, 7.993, 5.738) [0.7833, 0.3935, 0.2825]\n", + " PeriodicSite: Li (14.27, 6.868, 19.28) [0.7027, 0.3381, 0.949]\n", + " PeriodicSite: Li (19.71, 17.4, 7.281) [0.9703, 0.8568, 0.3585]\n", + " PeriodicSite: Li (18.72, 0.3459, 1.617) [0.9219, 0.01702, 0.07962]\n", + " PeriodicSite: Li (2.864, 9.385, 4.388) [0.141, 0.462, 0.216]\n", + " PeriodicSite: Li (9.785, 7.546, 19.94) [0.4817, 0.3715, 0.9818]\n", + " PeriodicSite: Li (8.066, 15.36, 7.34) [0.3971, 0.7562, 0.3614]\n", + " PeriodicSite: Li (5.606, 19.98, 17.32) [0.276, 0.9834, 0.8525]\n", + " PeriodicSite: Li (17.76, 5.138, 6.993) [0.8742, 0.2529, 0.3443]\n", + " PeriodicSite: Li (17.09, 12.19, 15.26) [0.8413, 0.6001, 0.7515]\n", + " PeriodicSite: Li (1.714, 15.42, 2.758) [0.0844, 0.7591, 0.1358]\n", + " PeriodicSite: Li (13.76, 1.813, 14.15) [0.6774, 0.08924, 0.6965]\n", + " PeriodicSite: Cl (7.217, 12.84, 12.55) [0.3553, 0.6322, 0.6177]\n", + " PeriodicSite: Cl (2.416, 12.62, 17.93) [0.1189, 0.6213, 0.8828]\n", + " PeriodicSite: Cl (13.0, 17.51, 12.97) [0.6401, 0.8618, 0.6383]\n", + " PeriodicSite: Cl (18.06, 7.645, 18.28) [0.8893, 0.3763, 0.8998]\n", + " PeriodicSite: Cl (7.338, 2.176, 2.377) [0.3612, 0.1071, 0.117]\n", + " PeriodicSite: Cl (7.437, 7.388, 7.343) [0.3661, 0.3637, 0.3615]\n", + " PeriodicSite: Cl (12.6, 12.51, 7.601) [0.6201, 0.6156, 0.3742]\n", + " PeriodicSite: Cl (2.584, 8.062, 2.781) [0.1272, 0.3969, 0.1369]\n", + " PeriodicSite: Cl (2.79, 7.678, 13.05) [0.1374, 0.378, 0.6426]\n", + " PeriodicSite: Cl (12.97, 12.89, 17.92) [0.6383, 0.6344, 0.8821]\n", + " PeriodicSite: Cl (17.75, 17.78, 17.63) [0.8739, 0.8753, 0.8677]\n", + " PeriodicSite: Cl (2.708, 2.146, 7.845) [0.1333, 0.1057, 0.3862]\n", + " PeriodicSite: Cl (12.77, 2.323, 17.74) [0.6287, 0.1144, 0.8732]\n", + " PeriodicSite: Cl (12.54, 7.2, 2.546) [0.6173, 0.3545, 0.1253]\n", + " PeriodicSite: Cl (17.94, 2.636, 12.36) [0.8832, 0.1298, 0.6087]\n", + " PeriodicSite: Cl (7.277, 17.69, 17.46) [0.3583, 0.8709, 0.8595]\n", + " PeriodicSite: Cl (0.1309, 0.1978, 0.0663) [0.006445, 0.00974, 0.003264]\n", + " PeriodicSite: Cl (0.2546, 0.2549, 9.913) [0.01253, 0.01255, 0.488]\n", + " PeriodicSite: Cl (20.26, 10.27, 0.08832) [0.9972, 0.5054, 0.004355]\n", + " PeriodicSite: Cl (0.3032, 9.733, 10.16) [0.01492, 0.4792, 0.5004]\n", + " PeriodicSite: Cl (10.04, 19.85, 0.154) [0.4942, 0.9771, 0.007586]\n", + " PeriodicSite: Cl (9.908, 20.29, 9.416) [0.4878, 0.9989, 0.4636]\n", + " PeriodicSite: Cl (10.12, 9.694, 0.2589) [0.498, 0.4773, 0.01275]\n", + " PeriodicSite: Cl (9.645, 9.771, 10.28) [0.4748, 0.481, 0.506]\n", + " PeriodicSite: Cl (20.31, 5.488, 4.809) [0.9997, 0.2702, 0.2367]\n", + " PeriodicSite: Cl (0.2764, 5.526, 15.31) [0.01361, 0.2721, 0.7539]\n", + " PeriodicSite: Cl (0.2015, 15.31, 4.607) [0.009912, 0.754, 0.2268]\n", + " PeriodicSite: Cl (0.124, 15.29, 15.3) [0.0061, 0.7526, 0.7534]\n", + " PeriodicSite: Cl (10.48, 4.951, 4.992) [0.516, 0.2437, 0.2457]\n", + " PeriodicSite: Cl (9.966, 5.321, 15.31) [0.4906, 0.262, 0.7538]\n", + " PeriodicSite: Cl (9.463, 14.98, 4.911) [0.4659, 0.7377, 0.2418]\n", + " PeriodicSite: Cl (10.17, 15.4, 14.89) [0.5007, 0.7581, 0.7332]\n", + " PeriodicSite: S (5.024, 0.1879, 5.32) [0.2474, 0.00925, 0.2619]\n", + " PeriodicSite: S (5.148, 0.07768, 14.92) [0.2534, 0.003823, 0.7345]\n", + " PeriodicSite: S (5.165, 10.23, 4.894) [0.2543, 0.5035, 0.2409]\n", + " PeriodicSite: S (5.29, 10.28, 15.64) [0.2604, 0.506, 0.7699]\n", + " PeriodicSite: S (15.04, 19.87, 5.291) [0.7403, 0.9783, 0.2605]\n", + " PeriodicSite: S (15.38, 0.3896, 15.17) [0.7573, 0.01917, 0.7467]\n", + " PeriodicSite: S (15.27, 10.25, 5.244) [0.7517, 0.5048, 0.2582]\n", + " PeriodicSite: S (15.47, 10.3, 15.0) [0.7618, 0.5069, 0.7386]\n", + " PeriodicSite: S (4.723, 5.054, 20.13) [0.2325, 0.2488, 0.9908]\n", + " PeriodicSite: S (4.934, 5.202, 10.4) [0.2429, 0.2561, 0.5121]\n", + " PeriodicSite: S (4.915, 15.44, 20.31) [0.242, 0.7602, 0.9999]\n", + " PeriodicSite: S (4.517, 15.24, 10.38) [0.2224, 0.7505, 0.5111]\n", + " PeriodicSite: S (15.37, 5.054, 0.1884) [0.7566, 0.2488, 0.009281]\n", + " PeriodicSite: S (14.88, 5.058, 10.04) [0.7326, 0.249, 0.4945]\n", + " PeriodicSite: S (15.13, 15.2, 0.1085) [0.7446, 0.7483, 0.005347]\n", + " PeriodicSite: S (15.07, 15.44, 9.819) [0.742, 0.7599, 0.4834]\n", + " PeriodicSite: S (8.679, 4.223, 8.786) [0.4273, 0.2079, 0.4325]\n", + " PeriodicSite: S (8.807, 3.6, 19.11) [0.4336, 0.1772, 0.9408]\n", + " PeriodicSite: S (9.152, 13.8, 8.631) [0.4506, 0.6792, 0.4249]\n", + " PeriodicSite: S (8.587, 14.62, 18.85) [0.4227, 0.7198, 0.9281]\n", + " PeriodicSite: S (18.88, 3.987, 9.11) [0.9295, 0.1963, 0.4485]\n", + " PeriodicSite: S (19.24, 4.242, 19.18) [0.9473, 0.2088, 0.944]\n", + " PeriodicSite: S (18.85, 14.11, 9.089) [0.9281, 0.6946, 0.4475]\n", + " PeriodicSite: S (18.85, 14.17, 18.98) [0.9278, 0.6977, 0.9343]\n", + " PeriodicSite: S (3.601, 1.144, 1.123) [0.1773, 0.05632, 0.05531]\n", + " PeriodicSite: S (3.982, 1.007, 11.51) [0.196, 0.04959, 0.5666]\n", + " PeriodicSite: S (4.024, 11.34, 1.247) [0.1981, 0.5584, 0.06137]\n", + " PeriodicSite: S (3.546, 11.34, 11.26) [0.1746, 0.5583, 0.5543]\n", + " PeriodicSite: S (14.44, 1.226, 1.104) [0.7111, 0.06033, 0.05434]\n", + " PeriodicSite: S (14.5, 1.572, 11.35) [0.7137, 0.07739, 0.5587]\n", + " PeriodicSite: S (14.07, 11.62, 1.17) [0.6928, 0.5722, 0.0576]\n", + " PeriodicSite: S (14.18, 11.55, 11.39) [0.698, 0.5688, 0.5608]\n", + " PeriodicSite: S (6.653, 1.122, 9.528) [0.3276, 0.05525, 0.4691]\n", + " PeriodicSite: S (6.232, 1.199, 19.09) [0.3068, 0.05904, 0.9399]\n", + " PeriodicSite: S (6.22, 11.65, 9.244) [0.3062, 0.5738, 0.4551]\n", + " PeriodicSite: S (6.401, 11.19, 19.14) [0.3151, 0.5509, 0.9423]\n", + " PeriodicSite: S (16.47, 0.79, 8.918) [0.8107, 0.03889, 0.439]\n", + " PeriodicSite: S (16.95, 1.238, 19.1) [0.8346, 0.06094, 0.9405]\n", + " PeriodicSite: S (16.66, 11.29, 9.175) [0.8201, 0.5557, 0.4517]\n", + " PeriodicSite: S (16.53, 11.17, 18.93) [0.8138, 0.5501, 0.9322]\n", + " PeriodicSite: S (1.306, 4.143, 1.123) [0.0643, 0.204, 0.05528]\n", + " PeriodicSite: S (1.004, 3.921, 11.02) [0.04944, 0.193, 0.5426]\n", + " PeriodicSite: S (1.018, 14.04, 0.8617) [0.05009, 0.6911, 0.04242]\n", + " PeriodicSite: S (0.7825, 14.33, 11.64) [0.03852, 0.7054, 0.5732]\n", + " PeriodicSite: S (11.19, 3.597, 1.311) [0.5511, 0.1771, 0.06453]\n", + " PeriodicSite: S (10.68, 3.513, 11.32) [0.5256, 0.1729, 0.5574]\n", + " PeriodicSite: S (11.16, 14.05, 0.8387) [0.5497, 0.6917, 0.0413]\n", + " PeriodicSite: S (11.27, 13.84, 11.3) [0.555, 0.6816, 0.5562]\n", + " PeriodicSite: S (2.196, 2.63, 17.79) [0.1081, 0.1295, 0.8759]\n", + " PeriodicSite: S (2.496, 12.45, 7.684) [0.1229, 0.613, 0.3783]\n", + " PeriodicSite: S (12.81, 2.214, 7.888) [0.6307, 0.109, 0.3884]\n", + " PeriodicSite: S (8.787, 8.704, 3.899) [0.4326, 0.4285, 0.192]\n", + " PeriodicSite: S (8.735, 9.61, 14.09) [0.43, 0.4731, 0.6937]\n", + " PeriodicSite: S (8.87, 19.17, 3.662) [0.4367, 0.9439, 0.1803]\n", + " PeriodicSite: S (9.281, 19.17, 14.0) [0.4569, 0.9437, 0.6892]\n", + " PeriodicSite: S (19.24, 9.239, 3.729) [0.9471, 0.4548, 0.1836]\n", + " PeriodicSite: S (19.05, 8.641, 14.73) [0.9379, 0.4254, 0.7252]\n", + " PeriodicSite: S (18.89, 19.08, 3.965) [0.9302, 0.9395, 0.1952]\n", + " PeriodicSite: S (19.16, 19.6, 14.03) [0.9433, 0.9647, 0.6906]\n", + " PeriodicSite: S (3.793, 6.231, 6.051) [0.1868, 0.3067, 0.2979]\n", + " PeriodicSite: S (4.059, 6.678, 16.5) [0.1998, 0.3287, 0.8123]\n", + " PeriodicSite: S (3.724, 16.28, 6.494) [0.1834, 0.8014, 0.3197]\n", + " PeriodicSite: S (3.382, 16.01, 16.59) [0.1665, 0.788, 0.8166]\n", + " PeriodicSite: S (14.2, 5.934, 6.185) [0.699, 0.2921, 0.3045]\n", + " PeriodicSite: S (14.65, 6.538, 16.76) [0.7212, 0.3219, 0.8253]\n", + " PeriodicSite: S (14.11, 16.29, 6.23) [0.6948, 0.8018, 0.3067]\n", + " PeriodicSite: S (14.23, 16.81, 16.53) [0.7008, 0.8278, 0.8137]\n", + " PeriodicSite: S (6.191, 5.953, 3.724) [0.3048, 0.2931, 0.1833]\n", + " PeriodicSite: S (6.203, 6.447, 13.87) [0.3054, 0.3174, 0.6826]\n", + " PeriodicSite: S (6.112, 16.3, 3.976) [0.3009, 0.8024, 0.1957]\n", + " PeriodicSite: S (5.957, 16.45, 14.46) [0.2933, 0.8097, 0.7118]\n", + " PeriodicSite: S (16.84, 6.206, 3.949) [0.8293, 0.3055, 0.1944]\n", + " PeriodicSite: S (16.4, 5.692, 14.04) [0.8074, 0.2802, 0.6914]\n", + " PeriodicSite: S (16.37, 16.31, 3.674) [0.806, 0.8029, 0.1809]\n", + " PeriodicSite: S (16.58, 16.69, 14.12) [0.8164, 0.8216, 0.6952]\n", + " PeriodicSite: S (1.365, 8.981, 6.176) [0.06719, 0.4421, 0.3041]\n", + " PeriodicSite: S (1.249, 9.019, 16.48) [0.06149, 0.444, 0.8115]\n", + " PeriodicSite: S (0.9695, 19.09, 6.204) [0.04772, 0.9398, 0.3054]\n", + " PeriodicSite: S (1.304, 19.58, 16.32) [0.06422, 0.9639, 0.8035]\n", + " PeriodicSite: S (11.27, 8.745, 6.085) [0.555, 0.4305, 0.2996]\n", + " PeriodicSite: S (11.38, 9.418, 16.07) [0.5604, 0.4637, 0.7913]\n", + " PeriodicSite: S (11.29, 19.1, 6.082) [0.5558, 0.9403, 0.2994]\n", + " PeriodicSite: S (11.52, 19.38, 16.47) [0.5672, 0.954, 0.8108]\n", + " PeriodicSite: S (2.627, 17.63, 2.524) [0.1293, 0.8681, 0.1243]\n", + " PeriodicSite: S (2.531, 17.82, 13.02) [0.1246, 0.8773, 0.641]\n", + " PeriodicSite: S (12.93, 7.556, 12.73) [0.6368, 0.372, 0.6268]\n", + " PeriodicSite: S (12.85, 17.84, 2.292) [0.6326, 0.8785, 0.1128]\n", + " PeriodicSite: S (3.685, 3.663, 4.024) [0.1814, 0.1803, 0.1981]\n", + " PeriodicSite: S (3.606, 4.2, 14.34) [0.1775, 0.2068, 0.7059]\n", + " PeriodicSite: S (3.746, 13.99, 3.563) [0.1844, 0.6889, 0.1754]\n", + " PeriodicSite: S (3.827, 13.48, 14.43) [0.1884, 0.6635, 0.7104]\n", + " PeriodicSite: S (14.12, 3.953, 3.504) [0.6951, 0.1946, 0.1725]\n", + " PeriodicSite: S (13.61, 4.266, 14.5) [0.6701, 0.21, 0.7138]\n", + " PeriodicSite: S (13.59, 14.11, 3.809) [0.6691, 0.6945, 0.1875]\n", + " PeriodicSite: S (14.12, 14.16, 14.12) [0.6952, 0.6972, 0.6952]\n", + " PeriodicSite: S (9.152, 1.431, 6.134) [0.4506, 0.07043, 0.302]\n", + " PeriodicSite: S (8.69, 0.8641, 16.6) [0.4278, 0.04254, 0.8174]\n", + " PeriodicSite: S (9.106, 11.29, 5.856) [0.4483, 0.5558, 0.2883]\n", + " PeriodicSite: S (8.934, 11.8, 16.74) [0.4398, 0.5808, 0.8241]\n", + " PeriodicSite: S (19.27, 1.111, 6.307) [0.9487, 0.0547, 0.3105]\n", + " PeriodicSite: S (19.11, 1.785, 16.22) [0.941, 0.08786, 0.7986]\n", + " PeriodicSite: S (19.23, 11.47, 6.33) [0.9467, 0.5648, 0.3117]\n", + " PeriodicSite: S (19.08, 11.28, 16.95) [0.9394, 0.5553, 0.8342]\n", + " PeriodicSite: S (1.316, 0.7276, 3.616) [0.06481, 0.03582, 0.178]\n", + " PeriodicSite: S (1.144, 1.663, 13.89) [0.05633, 0.08187, 0.6838]\n", + " PeriodicSite: S (1.355, 11.43, 3.978) [0.0667, 0.5627, 0.1958]\n", + " PeriodicSite: S (0.7267, 11.5, 14.12) [0.03578, 0.5662, 0.695]\n", + " PeriodicSite: S (11.22, 1.233, 3.678) [0.5525, 0.06068, 0.1811]\n", + " PeriodicSite: S (11.15, 1.796, 14.52) [0.5489, 0.08842, 0.7148]\n", + " PeriodicSite: S (11.46, 10.86, 3.426) [0.5643, 0.5347, 0.1687]\n", + " PeriodicSite: S (11.18, 11.97, 13.94) [0.5503, 0.5893, 0.6861]\n", + " PeriodicSite: S (6.356, 3.848, 6.236) [0.3129, 0.1894, 0.307]\n", + " PeriodicSite: S (6.076, 4.123, 16.6) [0.2991, 0.203, 0.8171]\n", + " PeriodicSite: S (5.897, 13.82, 6.369) [0.2903, 0.6806, 0.3136]\n", + " PeriodicSite: S (6.147, 13.93, 16.65) [0.3026, 0.6857, 0.8198]\n", + " PeriodicSite: S (16.39, 3.61, 5.836) [0.8071, 0.1777, 0.2873]\n", + " PeriodicSite: S (16.19, 3.911, 16.99) [0.7968, 0.1925, 0.8363]\n", + " PeriodicSite: S (16.23, 13.97, 6.104) [0.7989, 0.6878, 0.3005]\n", + " PeriodicSite: S (16.49, 14.29, 16.42) [0.812, 0.7037, 0.8081]\n", + " PeriodicSite: S (7.456, 2.777, 12.78) [0.3671, 0.1367, 0.6292]\n", + " PeriodicSite: S (7.731, 12.49, 2.265) [0.3806, 0.6147, 0.1115]\n", + " PeriodicSite: S (18.33, 2.439, 2.24) [0.9025, 0.1201, 0.1103]\n", + " PeriodicSite: S (17.5, 12.52, 2.259) [0.8617, 0.6163, 0.1112]\n", + " PeriodicSite: S (17.57, 12.85, 12.87) [0.865, 0.6328, 0.6337]\n", + " PeriodicSite: S (4.105, 9.07, 8.852) [0.2021, 0.4465, 0.4358]\n", + " PeriodicSite: S (3.732, 9.108, 19.09) [0.1837, 0.4484, 0.9398]\n", + " PeriodicSite: S (4.123, 19.58, 8.761) [0.203, 0.9638, 0.4313]\n", + " PeriodicSite: S (3.898, 19.17, 18.99) [0.1919, 0.9435, 0.935]\n", + " PeriodicSite: S (13.92, 9.067, 9.223) [0.6851, 0.4464, 0.4541]\n", + " PeriodicSite: S (13.59, 9.442, 19.11) [0.6693, 0.4648, 0.9406]\n", + " PeriodicSite: S (13.7, 19.21, 9.452) [0.6743, 0.9456, 0.4653]\n", + " PeriodicSite: S (14.36, 19.38, 19.12) [0.7069, 0.9543, 0.9412]\n", + " PeriodicSite: S (8.733, 5.892, 1.259) [0.4299, 0.29, 0.06199]\n", + " PeriodicSite: S (9.096, 6.27, 11.57) [0.4478, 0.3087, 0.5697]\n", + " PeriodicSite: S (9.12, 16.44, 1.443) [0.449, 0.8095, 0.07105]\n", + " PeriodicSite: S (8.707, 16.0, 10.94) [0.4286, 0.7876, 0.5386]\n", + " PeriodicSite: S (19.3, 6.478, 1.453) [0.9503, 0.3189, 0.07153]\n", + " PeriodicSite: S (19.16, 6.482, 11.17) [0.9432, 0.3191, 0.5499]\n", + " PeriodicSite: S (18.93, 16.34, 1.236) [0.9321, 0.8042, 0.06084]\n", + " PeriodicSite: S (18.87, 16.57, 11.29) [0.9292, 0.8157, 0.556]\n", + " PeriodicSite: S (1.442, 6.084, 8.601) [0.07101, 0.2995, 0.4234]\n", + " PeriodicSite: S (1.196, 6.666, 19.28) [0.05886, 0.3282, 0.9494]\n", + " PeriodicSite: S (0.9512, 16.28, 9.051) [0.04682, 0.8012, 0.4456]\n", + " PeriodicSite: S (1.01, 16.53, 19.23) [0.04972, 0.8139, 0.9468]\n", + " PeriodicSite: S (11.39, 5.883, 8.824) [0.5606, 0.2896, 0.4344]\n", + " PeriodicSite: S (11.47, 5.814, 19.17) [0.5649, 0.2862, 0.9435]\n", + " PeriodicSite: S (11.36, 16.24, 8.661) [0.5593, 0.7995, 0.4264]\n", + " PeriodicSite: S (11.25, 16.61, 18.95) [0.5538, 0.8179, 0.9327]\n", + " PeriodicSite: S (6.198, 8.814, 1.391) [0.3051, 0.4339, 0.0685]\n", + " PeriodicSite: S (5.963, 8.945, 11.45) [0.2936, 0.4404, 0.5639]\n", + " PeriodicSite: S (5.92, 19.14, 1.245) [0.2914, 0.9425, 0.0613]\n", + " PeriodicSite: S (6.465, 18.72, 11.27) [0.3183, 0.9216, 0.555]\n", + " PeriodicSite: S (16.13, 8.802, 1.09) [0.7943, 0.4333, 0.05367]\n", + " PeriodicSite: S (16.5, 8.872, 11.47) [0.8124, 0.4368, 0.5645]\n", + " PeriodicSite: S (16.66, 19.15, 1.271) [0.8202, 0.9428, 0.06259]\n", + " PeriodicSite: S (16.38, 18.95, 11.49) [0.8066, 0.9327, 0.5659]\n", + " PeriodicSite: S (7.688, 7.7, 17.88) [0.3785, 0.3791, 0.88]\n", + " PeriodicSite: S (7.565, 17.81, 7.396) [0.3724, 0.8766, 0.3641]\n", + " PeriodicSite: S (17.47, 7.673, 7.68) [0.86, 0.3777, 0.3781]\n", + " PeriodicSite: S (17.54, 17.78, 7.452) [0.8634, 0.8752, 0.3669]\n", + " PeriodicSite: P (4.963, 0.1131, 20.24) [0.2444, 0.005568, 0.9963]\n", + " PeriodicSite: P (5.198, 20.09, 10.35) [0.2559, 0.9893, 0.5094]\n", + " PeriodicSite: P (5.072, 10.07, 0.1033) [0.2497, 0.4957, 0.005086]\n", + " PeriodicSite: P (5.018, 10.36, 10.21) [0.247, 0.51, 0.5026]\n", + " PeriodicSite: P (15.7, 0.1225, 20.31) [0.7731, 0.006027, 0.9998]\n", + " PeriodicSite: P (15.22, 20.23, 10.36) [0.7492, 0.9957, 0.5102]\n", + " PeriodicSite: P (15.11, 10.24, 0.01996) [0.7437, 0.504, 0.0009877]\n", + " PeriodicSite: P (15.39, 10.22, 10.46) [0.7577, 0.5029, 0.5151]\n", + " PeriodicSite: P (5.07, 4.98, 5.062) [0.2496, 0.2452, 0.2492]\n", + " PeriodicSite: P (5.043, 5.374, 15.26) [0.2483, 0.2646, 0.7513]\n", + " PeriodicSite: P (4.878, 15.09, 5.071) [0.2402, 0.7427, 0.2496]\n", + " PeriodicSite: P (4.79, 15.0, 15.48) [0.2358, 0.7387, 0.762]\n", + " PeriodicSite: P (15.37, 4.924, 4.734) [0.7568, 0.2424, 0.2331]\n", + " PeriodicSite: P (15.24, 5.001, 15.55) [0.7504, 0.2462, 0.7657]\n", + " PeriodicSite: P (15.06, 15.11, 4.848) [0.7416, 0.7441, 0.2387]\n", + " PeriodicSite: P (15.28, 15.5, 15.24) [0.7521, 0.7632, 0.7502]\n", + " PeriodicSite: P (20.23, 20.21, 4.867) [0.9958, 0.995, 0.2396]\n", + " PeriodicSite: P (0.01292, 0.485, 15.21) [0.0006401, 0.02388, 0.7489]\n", + " PeriodicSite: P (0.1425, 10.25, 5.118) [0.007014, 0.5047, 0.252]\n", + " PeriodicSite: P (20.09, 10.29, 15.5) [0.9889, 0.5067, 0.7629]\n", + " PeriodicSite: P (10.23, 0.05432, 4.944) [0.5037, 0.00267, 0.2434]\n", + " PeriodicSite: P (10.18, 0.1164, 15.4) [0.5013, 0.005729, 0.7581]\n", + " PeriodicSite: P (10.22, 9.961, 4.844) [0.5034, 0.4904, 0.2385]\n", + " PeriodicSite: P (10.02, 10.88, 15.18) [0.4934, 0.5354, 0.7473]\n", + " PeriodicSite: P (0.1003, 5.403, 0.1304) [0.004936, 0.266, 0.006421]\n", + " PeriodicSite: P (20.25, 5.274, 9.896) [0.997, 0.2596, 0.4872]\n", + " PeriodicSite: P (20.01, 15.25, 20.2) [0.9854, 0.7508, 0.9944]\n", + " PeriodicSite: P (19.99, 15.34, 10.25) [0.984, 0.7554, 0.5047]\n", + " PeriodicSite: P (10.08, 4.73, 0.04341) [0.4962, 0.2329, 0.00214]\n", + " PeriodicSite: P (9.993, 5.044, 10.04) [0.492, 0.2483, 0.4943]\n", + " PeriodicSite: P (9.979, 15.57, 20.03) [0.4913, 0.7666, 0.9863]\n", + " PeriodicSite: P (10.37, 14.94, 10.01) [0.5104, 0.7353, 0.4927],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.947, 4.83, 5.764) [0.09584, 0.2378, 0.2838]\n", + " PeriodicSite: Li (0.8961, 3.327, 16.18) [0.04412, 0.1638, 0.7966]\n", + " PeriodicSite: Li (0.2814, 12.64, 8.771) [0.01385, 0.6225, 0.4318]\n", + " PeriodicSite: Li (0.821, 13.12, 16.64) [0.04042, 0.6458, 0.819]\n", + " PeriodicSite: Li (14.54, 1.014, 7.603) [0.716, 0.04992, 0.3743]\n", + " PeriodicSite: Li (11.66, 3.373, 16.05) [0.5739, 0.166, 0.7903]\n", + " PeriodicSite: Li (17.46, 12.09, 4.829) [0.8598, 0.5953, 0.2378]\n", + " PeriodicSite: Li (16.47, 8.643, 16.22) [0.8106, 0.4255, 0.7986]\n", + " PeriodicSite: Li (3.043, 4.493, 9.128) [0.1498, 0.2212, 0.4494]\n", + " PeriodicSite: Li (2.118, 0.5441, 18.39) [0.1043, 0.02679, 0.9055]\n", + " PeriodicSite: Li (4.792, 8.397, 7.07) [0.2359, 0.4134, 0.348]\n", + " PeriodicSite: Li (7.526, 9.833, 15.67) [0.3705, 0.4841, 0.7715]\n", + " PeriodicSite: Li (10.95, 3.977, 7.535) [0.5389, 0.1958, 0.371]\n", + " PeriodicSite: Li (13.51, 4.239, 1.082) [0.665, 0.2087, 0.05328]\n", + " PeriodicSite: Li (12.03, 9.41, 11.43) [0.5922, 0.4633, 0.5629]\n", + " PeriodicSite: Li (9.148, 18.89, 18.0) [0.4504, 0.93, 0.8859]\n", + " PeriodicSite: Li (5.44, 1.565, 6.749) [0.2678, 0.07705, 0.3323]\n", + " PeriodicSite: Li (3.08, 1.333, 15.89) [0.1516, 0.06565, 0.7824]\n", + " PeriodicSite: Li (4.437, 11.03, 7.666) [0.2184, 0.5432, 0.3774]\n", + " PeriodicSite: Li (5.915, 12.48, 14.7) [0.2912, 0.6146, 0.7239]\n", + " PeriodicSite: Li (12.36, 0.9712, 9.9) [0.6086, 0.04781, 0.4874]\n", + " PeriodicSite: Li (10.57, 2.179, 19.27) [0.5203, 0.1073, 0.9485]\n", + " PeriodicSite: Li (13.85, 15.71, 8.573) [0.6817, 0.7733, 0.422]\n", + " PeriodicSite: Li (11.38, 11.07, 18.0) [0.5603, 0.5451, 0.8862]\n", + " PeriodicSite: Li (0.04734, 2.148, 7.71) [0.002332, 0.1057, 0.3796]\n", + " PeriodicSite: Li (0.6058, 2.506, 19.56) [0.02983, 0.1234, 0.9628]\n", + " PeriodicSite: Li (1.446, 13.73, 5.798) [0.07118, 0.6762, 0.2854]\n", + " PeriodicSite: Li (2.736, 14.37, 19.53) [0.1347, 0.7076, 0.9617]\n", + " PeriodicSite: Li (13.14, 1.728, 5.51) [0.6469, 0.08504, 0.2713]\n", + " PeriodicSite: Li (13.26, 0.2846, 16.81) [0.6526, 0.014, 0.8277]\n", + " PeriodicSite: Li (8.466, 11.28, 8.887) [0.4168, 0.5555, 0.4375]\n", + " PeriodicSite: Li (13.6, 15.91, 18.02) [0.6694, 0.7831, 0.887]\n", + " PeriodicSite: Li (7.055, 0.7681, 4.43) [0.3473, 0.03781, 0.2181]\n", + " PeriodicSite: Li (1.914, 20.21, 1.819) [0.09422, 0.9948, 0.08955]\n", + " PeriodicSite: Li (3.121, 13.2, 9.903) [0.1536, 0.65, 0.4875]\n", + " PeriodicSite: Li (1.39, 17.33, 15.36) [0.06841, 0.8533, 0.7561]\n", + " PeriodicSite: Li (14.31, 4.469, 7.656) [0.7043, 0.22, 0.3769]\n", + " PeriodicSite: Li (14.96, 2.682, 18.38) [0.7363, 0.132, 0.9048]\n", + " PeriodicSite: Li (17.3, 15.05, 8.026) [0.8516, 0.7408, 0.3951]\n", + " PeriodicSite: Li (13.23, 13.61, 20.13) [0.6512, 0.6703, 0.9911]\n", + " PeriodicSite: Li (4.455, 1.613, 3.368) [0.2193, 0.07939, 0.1658]\n", + " PeriodicSite: Li (4.438, 3.03, 19.38) [0.2185, 0.1492, 0.954]\n", + " PeriodicSite: Li (4.051, 12.38, 5.544) [0.1994, 0.6096, 0.2729]\n", + " PeriodicSite: Li (19.49, 11.11, 2.913) [0.9596, 0.5467, 0.1434]\n", + " PeriodicSite: Li (10.61, 1.154, 7.527) [0.5224, 0.0568, 0.3706]\n", + " PeriodicSite: Li (16.92, 1.122, 16.31) [0.833, 0.05521, 0.8032]\n", + " PeriodicSite: Li (14.56, 12.14, 5.398) [0.7169, 0.5977, 0.2658]\n", + " PeriodicSite: Li (14.58, 10.59, 17.12) [0.7176, 0.5213, 0.8429]\n", + " PeriodicSite: Li (4.853, 11.78, 17.59) [0.2389, 0.5799, 0.8659]\n", + " PeriodicSite: Li (1.934, 10.39, 8.693) [0.09519, 0.5116, 0.428]\n", + " PeriodicSite: Li (3.037, 17.18, 0.332) [0.1495, 0.8456, 0.01635]\n", + " PeriodicSite: Li (2.382, 0.4377, 9.691) [0.1173, 0.02155, 0.4771]\n", + " PeriodicSite: Li (12.03, 5.124, 4.504) [0.5924, 0.2522, 0.2217]\n", + " PeriodicSite: Li (13.1, 9.963, 14.46) [0.6449, 0.4905, 0.7121]\n", + " PeriodicSite: Li (10.62, 13.4, 6.767) [0.523, 0.6596, 0.3331]\n", + " PeriodicSite: Li (14.93, 18.36, 13.58) [0.7351, 0.9038, 0.6685]\n", + " PeriodicSite: Li (3.188, 7.196, 0.1567) [0.1569, 0.3543, 0.007715]\n", + " PeriodicSite: Li (3.335, 5.443, 12.06) [0.1642, 0.268, 0.5938]\n", + " PeriodicSite: Li (6.785, 16.56, 20.19) [0.334, 0.8152, 0.9939]\n", + " PeriodicSite: Li (4.164, 17.82, 15.06) [0.205, 0.8773, 0.7417]\n", + " PeriodicSite: Li (15.21, 6.712, 1.695) [0.7487, 0.3304, 0.08346]\n", + " PeriodicSite: Li (11.16, 5.832, 12.21) [0.5495, 0.2871, 0.6009]\n", + " PeriodicSite: Li (13.05, 18.55, 4.818) [0.6425, 0.9133, 0.2372]\n", + " PeriodicSite: Li (11.13, 17.51, 14.52) [0.5479, 0.8621, 0.7146]\n", + " PeriodicSite: Li (1.912, 10.23, 1.899) [0.0941, 0.5035, 0.09348]\n", + " PeriodicSite: Li (4.877, 7.516, 11.02) [0.2401, 0.37, 0.5425]\n", + " PeriodicSite: Li (4.457, 16.06, 2.256) [0.2194, 0.7908, 0.1111]\n", + " PeriodicSite: Li (2.786, 15.69, 10.77) [0.1371, 0.7722, 0.5303]\n", + " PeriodicSite: Li (12.13, 9.927, 0.851) [0.5971, 0.4887, 0.0419]\n", + " PeriodicSite: Li (12.62, 6.881, 14.88) [0.6213, 0.3387, 0.7328]\n", + " PeriodicSite: Li (12.15, 15.94, 2.955) [0.5981, 0.785, 0.1455]\n", + " PeriodicSite: Li (13.36, 15.2, 12.25) [0.6579, 0.7482, 0.6032]\n", + " PeriodicSite: Li (0.2789, 7.143, 3.431) [0.01373, 0.3517, 0.1689]\n", + " PeriodicSite: Li (17.3, 5.985, 9.236) [0.8515, 0.2946, 0.4547]\n", + " PeriodicSite: Li (2.03, 17.09, 5.091) [0.09995, 0.8413, 0.2506]\n", + " PeriodicSite: Li (0.3731, 18.49, 12.16) [0.01836, 0.9103, 0.5985]\n", + " PeriodicSite: Li (10.52, 7.527, 2.35) [0.5178, 0.3706, 0.1157]\n", + " PeriodicSite: Li (15.23, 8.127, 13.46) [0.75, 0.4001, 0.6626]\n", + " PeriodicSite: Li (13.04, 17.18, 0.1548) [0.6422, 0.8459, 0.007625]\n", + " PeriodicSite: Li (8.314, 14.37, 16.4) [0.4093, 0.7073, 0.8075]\n", + " PeriodicSite: Li (5.3, 8.149, 3.737) [0.2609, 0.4012, 0.184]\n", + " PeriodicSite: Li (0.6416, 11.03, 12.1) [0.03158, 0.543, 0.5955]\n", + " PeriodicSite: Li (20.1, 17.57, 2.583) [0.9893, 0.8652, 0.1272]\n", + " PeriodicSite: Li (3.209, 19.82, 13.52) [0.158, 0.9759, 0.6658]\n", + " PeriodicSite: Li (15.8, 10.55, 2.998) [0.7777, 0.5194, 0.1476]\n", + " PeriodicSite: Li (13.73, 7.013, 10.31) [0.6761, 0.3453, 0.5078]\n", + " PeriodicSite: Li (12.37, 20.28, 0.4718) [0.6091, 0.9984, 0.02323]\n", + " PeriodicSite: Li (14.26, 17.73, 10.62) [0.7022, 0.8729, 0.5231]\n", + " PeriodicSite: Li (3.455, 4.464, 1.387) [0.1701, 0.2198, 0.06827]\n", + " PeriodicSite: Li (4.7, 8.275, 14.47) [0.2314, 0.4074, 0.7125]\n", + " PeriodicSite: Li (4.411, 18.61, 3.302) [0.2171, 0.9162, 0.1626]\n", + " PeriodicSite: Li (1.492, 15.24, 13.49) [0.07346, 0.7502, 0.6643]\n", + " PeriodicSite: Li (13.17, 8.861, 4.24) [0.6485, 0.4362, 0.2087]\n", + " PeriodicSite: Li (15.06, 5.527, 12.46) [0.7414, 0.2721, 0.6136]\n", + " PeriodicSite: Li (14.72, 16.64, 2.096) [0.7248, 0.8193, 0.1032]\n", + " PeriodicSite: Li (18.19, 3.327, 14.7) [0.8954, 0.1638, 0.7236]\n", + " PeriodicSite: Li (9.764, 3.034, 3.076) [0.4807, 0.1494, 0.1514]\n", + " PeriodicSite: Li (9.569, 2.796, 13.28) [0.4711, 0.1376, 0.654]\n", + " PeriodicSite: Li (5.525, 10.92, 3.189) [0.272, 0.5375, 0.157]\n", + " PeriodicSite: Li (3.263, 11.39, 15.08) [0.1606, 0.5605, 0.7424]\n", + " PeriodicSite: Li (16.91, 1.449, 4.465) [0.8324, 0.07133, 0.2198]\n", + " PeriodicSite: Li (13.21, 3.719, 9.852) [0.6502, 0.1831, 0.485]\n", + " PeriodicSite: Li (18.68, 12.42, 0.5305) [0.9195, 0.6114, 0.02612]\n", + " PeriodicSite: Li (17.37, 10.33, 13.35) [0.8553, 0.5086, 0.657]\n", + " PeriodicSite: Li (5.269, 18.34, 6.5) [0.2594, 0.9028, 0.32]\n", + " PeriodicSite: Li (7.089, 2.023, 15.05) [0.349, 0.0996, 0.741]\n", + " PeriodicSite: Li (7.616, 13.16, 0.114) [0.3749, 0.6476, 0.005616]\n", + " PeriodicSite: Li (9.447, 14.13, 13.26) [0.4651, 0.6957, 0.6527]\n", + " PeriodicSite: Li (14.84, 19.81, 2.52) [0.7304, 0.9752, 0.1241]\n", + " PeriodicSite: Li (0.06995, 1.762, 12.08) [0.003446, 0.08675, 0.5945]\n", + " PeriodicSite: Li (18.08, 14.59, 2.469) [0.8902, 0.7183, 0.1216]\n", + " PeriodicSite: Li (16.92, 14.84, 12.41) [0.8332, 0.7307, 0.6111]\n", + " PeriodicSite: Li (7.999, 5.404, 6.078) [0.3938, 0.2661, 0.2993]\n", + " PeriodicSite: Li (6.832, 0.112, 13.02) [0.3364, 0.005513, 0.6409]\n", + " PeriodicSite: Li (10.11, 12.77, 2.568) [0.4979, 0.6287, 0.1264]\n", + " PeriodicSite: Li (5.009, 13.5, 12.04) [0.2466, 0.6645, 0.5926]\n", + " PeriodicSite: Li (20.29, 2.568, 3.298) [0.9991, 0.1264, 0.1624]\n", + " PeriodicSite: Li (19.89, 5.322, 12.75) [0.9791, 0.262, 0.6277]\n", + " PeriodicSite: Li (15.17, 13.38, 2.092) [0.747, 0.6588, 0.103]\n", + " PeriodicSite: Li (15.16, 12.37, 13.66) [0.7463, 0.6088, 0.6726]\n", + " PeriodicSite: Li (2.726, 0.3746, 5.775) [0.1342, 0.01844, 0.2843]\n", + " PeriodicSite: Li (5.073, 1.933, 13.46) [0.2498, 0.09515, 0.6627]\n", + " PeriodicSite: Li (5.388, 13.54, 1.877) [0.2653, 0.6665, 0.09243]\n", + " PeriodicSite: Li (8.932, 6.97, 15.39) [0.4397, 0.3432, 0.7578]\n", + " PeriodicSite: Li (18.54, 4.662, 3.191) [0.9129, 0.2295, 0.1571]\n", + " PeriodicSite: Li (16.87, 0.4327, 13.35) [0.8304, 0.02129, 0.6574]\n", + " PeriodicSite: Li (16.66, 14.21, 19.3) [0.8201, 0.6997, 0.9503]\n", + " PeriodicSite: Li (17.61, 12.54, 10.7) [0.8671, 0.6171, 0.5269]\n", + " PeriodicSite: Li (6.952, 3.28, 0.3169) [0.3423, 0.1615, 0.01561]\n", + " PeriodicSite: Li (5.611, 3.021, 11.07) [0.2762, 0.1487, 0.545]\n", + " PeriodicSite: Li (8.436, 10.53, 1.767) [0.4153, 0.5184, 0.08699]\n", + " PeriodicSite: Li (8.294, 10.83, 11.96) [0.4083, 0.5332, 0.5889]\n", + " PeriodicSite: Li (15.66, 3.214, 2.097) [0.7709, 0.1582, 0.1032]\n", + " PeriodicSite: Li (16.3, 3.24, 10.84) [0.8026, 0.1595, 0.5338]\n", + " PeriodicSite: Li (0.845, 10.97, 18.71) [0.0416, 0.5402, 0.9209]\n", + " PeriodicSite: Li (19.53, 13.19, 14.45) [0.9613, 0.6494, 0.7116]\n", + " PeriodicSite: Li (8.474, 0.2983, 1.24) [0.4172, 0.01468, 0.06105]\n", + " PeriodicSite: Li (8.656, 2.076, 10.45) [0.4261, 0.1022, 0.5144]\n", + " PeriodicSite: Li (7.613, 13.17, 4.779) [0.3748, 0.6486, 0.2353]\n", + " PeriodicSite: Li (4.528, 16.93, 12.24) [0.2229, 0.8337, 0.6026]\n", + " PeriodicSite: Li (17.58, 2.872, 0.1644) [0.8655, 0.1414, 0.008098]\n", + " PeriodicSite: Li (1.858, 7.108, 14.99) [0.09148, 0.3499, 0.7382]\n", + " PeriodicSite: Li (4.221, 14.59, 7.857) [0.2078, 0.7183, 0.3868]\n", + " PeriodicSite: Li (14.65, 13.12, 9.892) [0.7211, 0.646, 0.487]\n", + " PeriodicSite: Li (13.32, 10.38, 7.251) [0.6558, 0.5111, 0.357]\n", + " PeriodicSite: Li (5.556, 8.746, 17.23) [0.2735, 0.4306, 0.8483]\n", + " PeriodicSite: Li (7.202, 14.54, 10.45) [0.3545, 0.7159, 0.5143]\n", + " PeriodicSite: Li (5.294, 16.12, 18.16) [0.2606, 0.7934, 0.8941]\n", + " PeriodicSite: Li (17.2, 9.867, 6.832) [0.8465, 0.4858, 0.3364]\n", + " PeriodicSite: Li (2.893, 5.103, 18.37) [0.1424, 0.2512, 0.9045]\n", + " PeriodicSite: Li (17.33, 18.45, 5.539) [0.8533, 0.9081, 0.2727]\n", + " PeriodicSite: Li (19.74, 17.99, 19.68) [0.9716, 0.8857, 0.9687]\n", + " PeriodicSite: Li (7.955, 9.115, 5.961) [0.3917, 0.4487, 0.2935]\n", + " PeriodicSite: Li (9.263, 5.166, 17.7) [0.456, 0.2543, 0.8714]\n", + " PeriodicSite: Li (8.066, 19.57, 8.333) [0.3971, 0.9633, 0.4103]\n", + " PeriodicSite: Li (7.094, 18.63, 14.92) [0.3492, 0.9172, 0.7343]\n", + " PeriodicSite: Li (18.09, 8.92, 9.349) [0.8906, 0.4391, 0.4603]\n", + " PeriodicSite: Li (17.07, 5.466, 18.62) [0.8404, 0.2691, 0.9164]\n", + " PeriodicSite: Li (17.75, 20.13, 7.795) [0.8737, 0.9908, 0.3838]\n", + " PeriodicSite: Li (18.29, 16.47, 16.17) [0.9006, 0.8109, 0.796]\n", + " PeriodicSite: Li (6.099, 5.32, 8.288) [0.3002, 0.2619, 0.408]\n", + " PeriodicSite: Li (6.514, 5.371, 18.24) [0.3207, 0.2644, 0.898]\n", + " PeriodicSite: Li (9.223, 17.27, 9.01) [0.4541, 0.8503, 0.4436]\n", + " PeriodicSite: Li (11.92, 13.39, 15.67) [0.587, 0.6594, 0.7713]\n", + " PeriodicSite: Li (19.89, 7.344, 7.186) [0.9792, 0.3615, 0.3538]\n", + " PeriodicSite: Li (19.93, 6.861, 17.4) [0.9814, 0.3378, 0.8566]\n", + " PeriodicSite: Li (16.93, 17.23, 9.985) [0.8335, 0.8482, 0.4916]\n", + " PeriodicSite: Li (16.32, 17.23, 19.39) [0.8035, 0.8483, 0.9545]\n", + " PeriodicSite: Li (7.977, 7.991, 9.569) [0.3927, 0.3934, 0.4711]\n", + " PeriodicSite: Li (6.671, 6.388, 0.969) [0.3284, 0.3145, 0.04771]\n", + " PeriodicSite: Li (5.597, 17.09, 9.577) [0.2755, 0.8415, 0.4715]\n", + " PeriodicSite: Li (7.866, 15.17, 2.623) [0.3872, 0.7467, 0.1292]\n", + " PeriodicSite: Li (15.28, 6.846, 7.824) [0.7524, 0.337, 0.3852]\n", + " PeriodicSite: Li (18.17, 8.382, 20.25) [0.8945, 0.4127, 0.9971]\n", + " PeriodicSite: Li (14.92, 18.91, 6.854) [0.7344, 0.9307, 0.3374]\n", + " PeriodicSite: Li (15.64, 18.74, 16.83) [0.7697, 0.9227, 0.8288]\n", + " PeriodicSite: Li (7.139, 5.163, 12.27) [0.3514, 0.2542, 0.6039]\n", + " PeriodicSite: Li (8.067, 9.818, 18.4) [0.3971, 0.4833, 0.9059]\n", + " PeriodicSite: Li (8.193, 17.76, 5.607) [0.4034, 0.8742, 0.2761]\n", + " PeriodicSite: Li (10.61, 18.42, 2.194) [0.5222, 0.9068, 0.108]\n", + " PeriodicSite: Li (16.21, 7.729, 5.379) [0.7979, 0.3805, 0.2648]\n", + " PeriodicSite: Li (14.26, 6.342, 18.92) [0.7019, 0.3122, 0.9312]\n", + " PeriodicSite: Li (19.97, 17.78, 8.107) [0.9832, 0.8753, 0.3991]\n", + " PeriodicSite: Li (18.46, 0.3627, 1.633) [0.9088, 0.01785, 0.08041]\n", + " PeriodicSite: Li (3.162, 9.233, 4.989) [0.1557, 0.4545, 0.2456]\n", + " PeriodicSite: Li (9.114, 7.578, 19.72) [0.4487, 0.3731, 0.9708]\n", + " PeriodicSite: Li (7.993, 15.17, 7.243) [0.3935, 0.7466, 0.3566]\n", + " PeriodicSite: Li (6.059, 20.16, 17.4) [0.2983, 0.9927, 0.8567]\n", + " PeriodicSite: Li (17.98, 5.22, 6.171) [0.8854, 0.257, 0.3038]\n", + " PeriodicSite: Li (17.24, 11.87, 15.47) [0.8486, 0.5844, 0.7618]\n", + " PeriodicSite: Li (1.897, 15.25, 2.717) [0.09339, 0.7508, 0.1338]\n", + " PeriodicSite: Li (13.64, 1.415, 14.11) [0.6716, 0.06963, 0.6949]\n", + " PeriodicSite: Cl (7.271, 13.09, 12.56) [0.358, 0.6446, 0.6184]\n", + " PeriodicSite: Cl (2.617, 12.44, 17.9) [0.1288, 0.6125, 0.8815]\n", + " PeriodicSite: Cl (13.07, 17.43, 12.89) [0.6437, 0.8579, 0.6348]\n", + " PeriodicSite: Cl (17.81, 7.722, 17.99) [0.8767, 0.3802, 0.8859]\n", + " PeriodicSite: Cl (7.633, 2.138, 2.536) [0.3758, 0.1052, 0.1248]\n", + " PeriodicSite: Cl (7.178, 7.474, 7.378) [0.3534, 0.368, 0.3633]\n", + " PeriodicSite: Cl (13.05, 12.54, 7.254) [0.6423, 0.6172, 0.3571]\n", + " PeriodicSite: Cl (2.907, 8.117, 2.869) [0.1431, 0.3996, 0.1413]\n", + " PeriodicSite: Cl (2.754, 7.554, 12.67) [0.1356, 0.3719, 0.6239]\n", + " PeriodicSite: Cl (13.31, 13.16, 17.5) [0.6552, 0.648, 0.8618]\n", + " PeriodicSite: Cl (17.88, 18.2, 17.9) [0.8804, 0.8958, 0.8811]\n", + " PeriodicSite: Cl (2.321, 2.207, 7.487) [0.1143, 0.1086, 0.3686]\n", + " PeriodicSite: Cl (12.61, 2.262, 18.17) [0.6207, 0.1114, 0.8947]\n", + " PeriodicSite: Cl (12.83, 7.21, 2.265) [0.6317, 0.355, 0.1115]\n", + " PeriodicSite: Cl (18.0, 2.325, 12.61) [0.8863, 0.1144, 0.6208]\n", + " PeriodicSite: Cl (7.074, 17.78, 17.54) [0.3483, 0.8752, 0.8634]\n", + " PeriodicSite: Cl (0.397, 20.18, 20.04) [0.01954, 0.9936, 0.9867]\n", + " PeriodicSite: Cl (0.2906, 0.1287, 10.49) [0.01431, 0.006338, 0.5162]\n", + " PeriodicSite: Cl (0.03461, 10.07, 0.3879) [0.001699, 0.4956, 0.0191]\n", + " PeriodicSite: Cl (0.1532, 9.917, 10.2) [0.007539, 0.4882, 0.5019]\n", + " PeriodicSite: Cl (10.44, 20.3, 19.93) [0.5139, 0.9994, 0.9812]\n", + " PeriodicSite: Cl (10.0, 0.1962, 9.931) [0.4924, 0.009657, 0.4889]\n", + " PeriodicSite: Cl (9.861, 9.969, 20.27) [0.4855, 0.4908, 0.9978]\n", + " PeriodicSite: Cl (9.559, 10.02, 10.39) [0.4706, 0.4935, 0.5114]\n", + " PeriodicSite: Cl (20.0, 5.104, 5.012) [0.9846, 0.2513, 0.2468]\n", + " PeriodicSite: Cl (19.98, 5.499, 15.18) [0.9834, 0.2707, 0.7472]\n", + " PeriodicSite: Cl (0.4227, 15.26, 4.654) [0.0208, 0.7511, 0.2291]\n", + " PeriodicSite: Cl (20.24, 15.15, 15.55) [0.9966, 0.7457, 0.7657]\n", + " PeriodicSite: Cl (9.874, 4.737, 4.539) [0.4861, 0.2332, 0.2234]\n", + " PeriodicSite: Cl (10.25, 5.262, 14.86) [0.5044, 0.259, 0.7314]\n", + " PeriodicSite: Cl (9.182, 14.88, 4.952) [0.4521, 0.7326, 0.2438]\n", + " PeriodicSite: Cl (9.894, 15.39, 14.94) [0.4871, 0.7577, 0.7355]\n", + " PeriodicSite: S (4.949, 20.16, 5.055) [0.2436, 0.9926, 0.2488]\n", + " PeriodicSite: S (5.368, 0.03245, 15.07) [0.2643, 0.001596, 0.7417]\n", + " PeriodicSite: S (5.258, 10.13, 5.522) [0.2588, 0.4986, 0.2719]\n", + " PeriodicSite: S (5.133, 10.36, 15.83) [0.2527, 0.51, 0.7794]\n", + " PeriodicSite: S (15.09, 0.09991, 5.196) [0.7429, 0.004912, 0.2558]\n", + " PeriodicSite: S (15.25, 0.1322, 15.22) [0.7508, 0.006502, 0.7493]\n", + " PeriodicSite: S (15.15, 9.863, 5.223) [0.746, 0.4855, 0.2571]\n", + " PeriodicSite: S (15.35, 10.35, 15.05) [0.7558, 0.5096, 0.7411]\n", + " PeriodicSite: S (4.931, 5.254, 20.18) [0.2428, 0.2587, 0.9933]\n", + " PeriodicSite: S (4.993, 5.221, 10.4) [0.2458, 0.2571, 0.5118]\n", + " PeriodicSite: S (4.777, 15.22, 0.08006) [0.2352, 0.7494, 0.003944]\n", + " PeriodicSite: S (4.776, 15.07, 10.24) [0.2351, 0.742, 0.5041]\n", + " PeriodicSite: S (15.35, 4.627, 20.05) [0.7555, 0.2278, 0.9871]\n", + " PeriodicSite: S (15.26, 5.054, 9.634) [0.7514, 0.2488, 0.4743]\n", + " PeriodicSite: S (14.89, 15.5, 20.16) [0.7333, 0.7633, 0.9926]\n", + " PeriodicSite: S (15.36, 15.47, 10.38) [0.7562, 0.7615, 0.5108]\n", + " PeriodicSite: S (8.86, 4.224, 8.498) [0.4362, 0.2079, 0.4184]\n", + " PeriodicSite: S (8.629, 3.648, 19.21) [0.4248, 0.1796, 0.9456]\n", + " PeriodicSite: S (8.911, 13.83, 8.785) [0.4387, 0.6807, 0.4325]\n", + " PeriodicSite: S (8.346, 14.91, 19.02) [0.4109, 0.7341, 0.9365]\n", + " PeriodicSite: S (19.05, 3.723, 8.757) [0.9377, 0.1833, 0.4311]\n", + " PeriodicSite: S (19.07, 4.191, 19.35) [0.9389, 0.2063, 0.9527]\n", + " PeriodicSite: S (18.8, 14.13, 9.194) [0.9256, 0.6957, 0.4526]\n", + " PeriodicSite: S (19.18, 14.1, 18.86) [0.9441, 0.694, 0.9287]\n", + " PeriodicSite: S (3.851, 1.207, 1.16) [0.1896, 0.05943, 0.0571]\n", + " PeriodicSite: S (4.214, 1.222, 11.3) [0.2075, 0.06015, 0.5564]\n", + " PeriodicSite: S (3.968, 11.3, 1.419) [0.1953, 0.5565, 0.06988]\n", + " PeriodicSite: S (3.747, 11.27, 11.53) [0.1845, 0.555, 0.5675]\n", + " PeriodicSite: S (14.21, 1.282, 0.8401) [0.6994, 0.0631, 0.04136]\n", + " PeriodicSite: S (14.12, 1.357, 11.59) [0.6952, 0.06681, 0.5707]\n", + " PeriodicSite: S (14.06, 11.49, 1.423) [0.6923, 0.5656, 0.07008]\n", + " PeriodicSite: S (14.06, 11.38, 11.44) [0.6924, 0.5603, 0.5634]\n", + " PeriodicSite: S (6.513, 1.155, 8.977) [0.3206, 0.05686, 0.442]\n", + " PeriodicSite: S (6.114, 1.242, 19.18) [0.301, 0.06113, 0.9442]\n", + " PeriodicSite: S (6.183, 11.73, 9.166) [0.3044, 0.5774, 0.4513]\n", + " PeriodicSite: S (6.292, 11.34, 19.41) [0.3098, 0.5583, 0.9555]\n", + " PeriodicSite: S (16.6, 1.404, 9.272) [0.8171, 0.06912, 0.4565]\n", + " PeriodicSite: S (16.71, 1.276, 18.98) [0.8227, 0.06281, 0.9343]\n", + " PeriodicSite: S (16.32, 11.17, 8.921) [0.8034, 0.5502, 0.4392]\n", + " PeriodicSite: S (16.22, 11.39, 19.0) [0.7984, 0.5607, 0.9351]\n", + " PeriodicSite: S (1.067, 4.174, 1.428) [0.05254, 0.2055, 0.07029]\n", + " PeriodicSite: S (1.284, 4.174, 11.12) [0.06321, 0.2055, 0.5474]\n", + " PeriodicSite: S (0.8522, 13.91, 1.04) [0.04195, 0.6846, 0.05122]\n", + " PeriodicSite: S (0.9323, 13.88, 11.21) [0.0459, 0.6833, 0.5519]\n", + " PeriodicSite: S (11.22, 3.261, 1.009) [0.5522, 0.1605, 0.04969]\n", + " PeriodicSite: S (10.88, 3.509, 11.05) [0.5358, 0.1728, 0.5442]\n", + " PeriodicSite: S (11.0, 14.24, 1.037) [0.5414, 0.701, 0.05107]\n", + " PeriodicSite: S (11.57, 13.65, 10.88) [0.5697, 0.6722, 0.5358]\n", + " PeriodicSite: S (2.34, 2.826, 18.05) [0.1152, 0.1391, 0.8884]\n", + " PeriodicSite: S (2.547, 12.62, 7.626) [0.1254, 0.6211, 0.3754]\n", + " PeriodicSite: S (12.52, 2.457, 7.615) [0.6162, 0.121, 0.3749]\n", + " PeriodicSite: S (9.061, 8.819, 3.63) [0.4461, 0.4342, 0.1787]\n", + " PeriodicSite: S (8.989, 9.23, 14.17) [0.4426, 0.4544, 0.6975]\n", + " PeriodicSite: S (8.973, 19.08, 3.693) [0.4417, 0.9392, 0.1818]\n", + " PeriodicSite: S (9.278, 19.42, 13.77) [0.4567, 0.9559, 0.6777]\n", + " PeriodicSite: S (19.25, 8.86, 4.158) [0.9478, 0.4362, 0.2047]\n", + " PeriodicSite: S (19.09, 9.16, 14.44) [0.9399, 0.4509, 0.7108]\n", + " PeriodicSite: S (18.94, 19.28, 3.741) [0.9326, 0.9494, 0.1842]\n", + " PeriodicSite: S (19.46, 19.28, 14.07) [0.9583, 0.9491, 0.6925]\n", + " PeriodicSite: S (3.964, 6.305, 6.288) [0.1951, 0.3104, 0.3096]\n", + " PeriodicSite: S (3.901, 6.538, 16.45) [0.1921, 0.3219, 0.8099]\n", + " PeriodicSite: S (3.747, 16.3, 6.448) [0.1844, 0.8026, 0.3174]\n", + " PeriodicSite: S (3.522, 16.09, 16.58) [0.1734, 0.792, 0.8163]\n", + " PeriodicSite: S (14.01, 6.157, 5.855) [0.6899, 0.3031, 0.2882]\n", + " PeriodicSite: S (14.55, 6.741, 16.62) [0.7165, 0.3318, 0.8184]\n", + " PeriodicSite: S (13.86, 16.53, 6.429) [0.6824, 0.8136, 0.3165]\n", + " PeriodicSite: S (14.38, 16.99, 16.23) [0.7079, 0.8366, 0.7989]\n", + " PeriodicSite: S (6.426, 6.218, 3.981) [0.3164, 0.3061, 0.196]\n", + " PeriodicSite: S (6.427, 6.444, 14.14) [0.3164, 0.3172, 0.6961]\n", + " PeriodicSite: S (6.188, 16.53, 3.988) [0.3047, 0.8136, 0.1963]\n", + " PeriodicSite: S (6.032, 16.15, 14.09) [0.297, 0.7953, 0.6938]\n", + " PeriodicSite: S (16.49, 5.791, 3.788) [0.8117, 0.2851, 0.1865]\n", + " PeriodicSite: S (16.64, 6.343, 14.17) [0.8191, 0.3123, 0.6974]\n", + " PeriodicSite: S (16.27, 16.62, 4.024) [0.801, 0.8183, 0.1981]\n", + " PeriodicSite: S (16.65, 16.61, 14.09) [0.8197, 0.8176, 0.6935]\n", + " PeriodicSite: S (1.222, 8.961, 6.655) [0.06017, 0.4412, 0.3277]\n", + " PeriodicSite: S (1.278, 9.0, 16.69) [0.06292, 0.4431, 0.8218]\n", + " PeriodicSite: S (0.7713, 19.0, 6.224) [0.03797, 0.9352, 0.3064]\n", + " PeriodicSite: S (1.711, 19.58, 16.28) [0.08422, 0.9641, 0.8014]\n", + " PeriodicSite: S (11.53, 8.668, 5.964) [0.5676, 0.4268, 0.2936]\n", + " PeriodicSite: S (11.75, 9.367, 16.23) [0.5783, 0.4611, 0.799]\n", + " PeriodicSite: S (11.21, 19.34, 6.217) [0.5517, 0.9521, 0.3061]\n", + " PeriodicSite: S (11.14, 19.11, 16.41) [0.5484, 0.9409, 0.8079]\n", + " PeriodicSite: S (2.397, 17.5, 2.631) [0.118, 0.8614, 0.1295]\n", + " PeriodicSite: S (2.471, 17.33, 13.24) [0.1217, 0.8534, 0.6517]\n", + " PeriodicSite: S (12.87, 7.633, 12.75) [0.6338, 0.3758, 0.6278]\n", + " PeriodicSite: S (12.9, 18.18, 2.292) [0.635, 0.8949, 0.1128]\n", + " PeriodicSite: S (3.64, 4.056, 3.997) [0.1792, 0.1997, 0.1968]\n", + " PeriodicSite: S (3.673, 4.027, 14.25) [0.1808, 0.1983, 0.7015]\n", + " PeriodicSite: S (3.934, 13.86, 3.822) [0.1937, 0.6824, 0.1882]\n", + " PeriodicSite: S (3.723, 13.81, 14.0) [0.1833, 0.6797, 0.6895]\n", + " PeriodicSite: S (13.79, 3.709, 3.661) [0.679, 0.1826, 0.1803]\n", + " PeriodicSite: S (13.67, 4.329, 14.51) [0.673, 0.2131, 0.7146]\n", + " PeriodicSite: S (13.71, 14.63, 3.599) [0.6748, 0.7203, 0.1772]\n", + " PeriodicSite: S (14.06, 14.38, 14.21) [0.6923, 0.7079, 0.6998]\n", + " PeriodicSite: S (8.73, 1.041, 6.066) [0.4298, 0.05123, 0.2986]\n", + " PeriodicSite: S (8.726, 0.9459, 16.75) [0.4296, 0.04657, 0.8245]\n", + " PeriodicSite: S (9.107, 11.1, 6.02) [0.4483, 0.5464, 0.2964]\n", + " PeriodicSite: S (9.191, 11.58, 16.59) [0.4525, 0.5703, 0.8167]\n", + " PeriodicSite: S (19.12, 1.457, 5.969) [0.9414, 0.07172, 0.2939]\n", + " PeriodicSite: S (19.37, 1.495, 16.19) [0.9538, 0.07361, 0.797]\n", + " PeriodicSite: S (19.15, 11.27, 6.418) [0.9429, 0.5548, 0.316]\n", + " PeriodicSite: S (19.25, 11.44, 16.94) [0.9475, 0.5634, 0.834]\n", + " PeriodicSite: S (1.414, 0.9955, 3.929) [0.06961, 0.04901, 0.1934]\n", + " PeriodicSite: S (1.552, 1.357, 13.78) [0.0764, 0.06679, 0.6782]\n", + " PeriodicSite: S (1.222, 11.27, 4.139) [0.06014, 0.5549, 0.2038]\n", + " PeriodicSite: S (1.081, 11.52, 14.41) [0.05323, 0.5671, 0.7095]\n", + " PeriodicSite: S (11.17, 1.188, 3.549) [0.5499, 0.05847, 0.1747]\n", + " PeriodicSite: S (11.21, 1.733, 14.45) [0.5518, 0.0853, 0.7114]\n", + " PeriodicSite: S (11.54, 11.02, 3.567) [0.568, 0.5423, 0.1756]\n", + " PeriodicSite: S (11.02, 11.63, 13.86) [0.5427, 0.5726, 0.6823]\n", + " PeriodicSite: S (6.082, 3.805, 6.305) [0.2994, 0.1873, 0.3104]\n", + " PeriodicSite: S (6.247, 3.973, 16.44) [0.3076, 0.1956, 0.8093]\n", + " PeriodicSite: S (6.003, 13.91, 6.415) [0.2955, 0.685, 0.3158]\n", + " PeriodicSite: S (5.868, 14.1, 16.7) [0.2889, 0.694, 0.8222]\n", + " PeriodicSite: S (16.05, 3.355, 6.131) [0.7903, 0.1652, 0.3018]\n", + " PeriodicSite: S (16.46, 3.915, 16.31) [0.8105, 0.1927, 0.8028]\n", + " PeriodicSite: S (16.03, 13.93, 6.158) [0.7892, 0.6856, 0.3032]\n", + " PeriodicSite: S (16.68, 14.34, 16.7) [0.821, 0.7061, 0.8221]\n", + " PeriodicSite: S (7.3, 2.564, 12.6) [0.3594, 0.1262, 0.6205]\n", + " PeriodicSite: S (7.441, 12.61, 2.51) [0.3663, 0.6207, 0.1236]\n", + " PeriodicSite: S (17.77, 2.598, 2.712) [0.875, 0.1279, 0.1335]\n", + " PeriodicSite: S (17.56, 12.45, 2.35) [0.8645, 0.6129, 0.1157]\n", + " PeriodicSite: S (17.54, 12.75, 13.25) [0.8633, 0.6276, 0.6523]\n", + " PeriodicSite: S (3.962, 9.101, 8.976) [0.195, 0.448, 0.4419]\n", + " PeriodicSite: S (3.978, 9.111, 19.24) [0.1958, 0.4486, 0.9474]\n", + " PeriodicSite: S (4.107, 19.08, 8.938) [0.2022, 0.9395, 0.44]\n", + " PeriodicSite: S (3.928, 19.2, 18.98) [0.1934, 0.945, 0.9343]\n", + " PeriodicSite: S (13.8, 9.101, 9.205) [0.6794, 0.4481, 0.4532]\n", + " PeriodicSite: S (13.53, 9.322, 19.24) [0.6661, 0.4589, 0.947]\n", + " PeriodicSite: S (14.04, 19.65, 9.096) [0.6913, 0.9674, 0.4478]\n", + " PeriodicSite: S (14.23, 19.22, 18.83) [0.7008, 0.9464, 0.9268]\n", + " PeriodicSite: S (9.003, 5.822, 1.408) [0.4432, 0.2866, 0.06934]\n", + " PeriodicSite: S (9.004, 6.322, 11.1) [0.4433, 0.3112, 0.5463]\n", + " PeriodicSite: S (9.147, 16.93, 1.233) [0.4503, 0.8334, 0.06071]\n", + " PeriodicSite: S (9.01, 16.2, 11.18) [0.4435, 0.7974, 0.5502]\n", + " PeriodicSite: S (19.21, 6.638, 1.435) [0.9456, 0.3268, 0.07067]\n", + " PeriodicSite: S (19.2, 6.434, 10.73) [0.9451, 0.3167, 0.5283]\n", + " PeriodicSite: S (18.96, 16.43, 1.093) [0.9335, 0.8089, 0.05381]\n", + " PeriodicSite: S (19.21, 16.54, 11.27) [0.9457, 0.8142, 0.555]\n", + " PeriodicSite: S (1.093, 5.933, 8.262) [0.05379, 0.2921, 0.4068]\n", + " PeriodicSite: S (1.137, 6.67, 19.27) [0.05599, 0.3284, 0.9487]\n", + " PeriodicSite: S (1.182, 16.0, 8.723) [0.05818, 0.7879, 0.4294]\n", + " PeriodicSite: S (1.101, 16.38, 19.3) [0.05421, 0.8064, 0.9501]\n", + " PeriodicSite: S (11.72, 5.967, 9.032) [0.5768, 0.2938, 0.4447]\n", + " PeriodicSite: S (11.06, 5.941, 19.16) [0.5443, 0.2925, 0.9433]\n", + " PeriodicSite: S (11.45, 16.1, 8.988) [0.5638, 0.7929, 0.4425]\n", + " PeriodicSite: S (11.26, 16.6, 18.89) [0.5543, 0.8171, 0.9299]\n", + " PeriodicSite: S (6.267, 8.879, 1.546) [0.3085, 0.4371, 0.07613]\n", + " PeriodicSite: S (6.3, 9.178, 11.23) [0.3102, 0.4518, 0.5527]\n", + " PeriodicSite: S (6.257, 18.99, 1.019) [0.308, 0.9347, 0.05019]\n", + " PeriodicSite: S (6.061, 18.9, 11.52) [0.2984, 0.9304, 0.5674]\n", + " PeriodicSite: S (16.03, 8.934, 1.191) [0.789, 0.4398, 0.05865]\n", + " PeriodicSite: S (16.41, 8.813, 11.37) [0.8081, 0.4339, 0.5598]\n", + " PeriodicSite: S (16.6, 19.19, 1.011) [0.8175, 0.9448, 0.04978]\n", + " PeriodicSite: S (16.2, 19.1, 11.59) [0.7975, 0.9403, 0.5708]\n", + " PeriodicSite: S (7.735, 7.443, 17.76) [0.3808, 0.3664, 0.8741]\n", + " PeriodicSite: S (7.359, 17.38, 7.693) [0.3623, 0.8559, 0.3788]\n", + " PeriodicSite: S (17.6, 7.359, 7.322) [0.8665, 0.3623, 0.3605]\n", + " PeriodicSite: S (17.48, 17.86, 7.72) [0.8605, 0.8792, 0.3801]\n", + " PeriodicSite: P (4.98, 20.22, 0.06391) [0.2452, 0.9956, 0.003149]\n", + " PeriodicSite: P (5.397, 20.26, 10.11) [0.2657, 0.9973, 0.4979]\n", + " PeriodicSite: P (5.149, 10.06, 0.2739) [0.2535, 0.4953, 0.01349]\n", + " PeriodicSite: P (5.122, 10.42, 10.23) [0.2522, 0.5129, 0.5035]\n", + " PeriodicSite: P (15.43, 0.01507, 20.08) [0.7596, 0.0007363, 0.9884]\n", + " PeriodicSite: P (15.4, 0.2054, 10.41) [0.7581, 0.01011, 0.5124]\n", + " PeriodicSite: P (15.13, 10.33, 20.22) [0.7447, 0.5085, 0.9953]\n", + " PeriodicSite: P (15.19, 10.11, 10.23) [0.748, 0.4978, 0.5037]\n", + " PeriodicSite: P (4.971, 5.082, 4.995) [0.2447, 0.2502, 0.2459]\n", + " PeriodicSite: P (5.075, 5.201, 15.25) [0.2499, 0.2561, 0.7508]\n", + " PeriodicSite: P (4.911, 15.13, 5.174) [0.2418, 0.7448, 0.2547]\n", + " PeriodicSite: P (4.795, 15.08, 15.27) [0.2361, 0.7423, 0.7517]\n", + " PeriodicSite: P (15.18, 4.757, 4.859) [0.7474, 0.2342, 0.2392]\n", + " PeriodicSite: P (15.31, 5.287, 15.36) [0.7538, 0.2603, 0.7561]\n", + " PeriodicSite: P (15.12, 15.47, 5.095) [0.7445, 0.7614, 0.2508]\n", + " PeriodicSite: P (15.45, 15.45, 15.37) [0.7608, 0.7605, 0.7568]\n", + " PeriodicSite: P (20.21, 0.02113, 5.039) [0.9949, 0.001031, 0.2481]\n", + " PeriodicSite: P (0.3432, 0.2864, 15.04) [0.0169, 0.0141, 0.7406]\n", + " PeriodicSite: P (0.0504, 10.11, 5.334) [0.002478, 0.4978, 0.2626]\n", + " PeriodicSite: P (0.01628, 10.15, 15.66) [0.000801, 0.4995, 0.771]\n", + " PeriodicSite: P (10.08, 0.0119, 4.834) [0.4962, 0.0005815, 0.238]\n", + " PeriodicSite: P (10.08, 0.1919, 15.35) [0.496, 0.009446, 0.7558]\n", + " PeriodicSite: P (10.34, 9.902, 4.747) [0.509, 0.4875, 0.2337]\n", + " PeriodicSite: P (10.3, 10.37, 15.23) [0.5073, 0.5107, 0.7496]\n", + " PeriodicSite: P (20.28, 5.366, 0.1605) [0.9984, 0.2641, 0.007907]\n", + " PeriodicSite: P (0.0002583, 5.01, 9.755) [1.308e-05, 0.2466, 0.4803]\n", + " PeriodicSite: P (20.2, 15.15, 0.04226) [0.9943, 0.7459, 0.002087]\n", + " PeriodicSite: P (20.25, 15.26, 10.11) [0.9971, 0.7511, 0.4977]\n", + " PeriodicSite: P (10.07, 4.678, 0.09791) [0.4956, 0.2303, 0.004823]\n", + " PeriodicSite: P (10.12, 5.068, 9.948) [0.4982, 0.2495, 0.4898]\n", + " PeriodicSite: P (9.985, 15.56, 20.15) [0.4916, 0.7663, 0.9918]\n", + " PeriodicSite: P (10.29, 14.95, 10.06) [0.5064, 0.7358, 0.4954],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.288, 4.314, 6.22) [0.1126, 0.2124, 0.3062]\n", + " PeriodicSite: Li (1.472, 3.178, 15.67) [0.07248, 0.1565, 0.7713]\n", + " PeriodicSite: Li (0.706, 12.82, 8.64) [0.03476, 0.6312, 0.4253]\n", + " PeriodicSite: Li (1.081, 13.5, 16.76) [0.05321, 0.6645, 0.8253]\n", + " PeriodicSite: Li (14.79, 1.666, 7.104) [0.7283, 0.08199, 0.3498]\n", + " PeriodicSite: Li (11.52, 3.332, 15.79) [0.5669, 0.1641, 0.7775]\n", + " PeriodicSite: Li (17.4, 12.56, 5.509) [0.8567, 0.6185, 0.2712]\n", + " PeriodicSite: Li (16.87, 8.286, 15.69) [0.8307, 0.4079, 0.7724]\n", + " PeriodicSite: Li (2.987, 3.902, 9.212) [0.1471, 0.1921, 0.4535]\n", + " PeriodicSite: Li (1.806, 0.5133, 18.56) [0.08894, 0.02527, 0.9136]\n", + " PeriodicSite: Li (5.181, 7.928, 7.536) [0.2551, 0.3903, 0.371]\n", + " PeriodicSite: Li (7.453, 9.754, 15.99) [0.3669, 0.4802, 0.787]\n", + " PeriodicSite: Li (11.03, 4.0, 7.163) [0.5429, 0.1969, 0.3526]\n", + " PeriodicSite: Li (12.92, 3.704, 19.99) [0.6358, 0.1824, 0.9841]\n", + " PeriodicSite: Li (12.11, 9.489, 11.17) [0.5961, 0.4672, 0.55]\n", + " PeriodicSite: Li (9.437, 18.96, 18.04) [0.4646, 0.9332, 0.8882]\n", + " PeriodicSite: Li (5.839, 1.592, 6.686) [0.2874, 0.07839, 0.3292]\n", + " PeriodicSite: Li (3.545, 1.69, 15.37) [0.1746, 0.08318, 0.7567]\n", + " PeriodicSite: Li (4.441, 10.82, 7.466) [0.2186, 0.5327, 0.3676]\n", + " PeriodicSite: Li (6.193, 12.0, 14.37) [0.3049, 0.5906, 0.7076]\n", + " PeriodicSite: Li (12.33, 1.058, 9.576) [0.607, 0.05207, 0.4714]\n", + " PeriodicSite: Li (10.18, 1.995, 18.84) [0.501, 0.09823, 0.9277]\n", + " PeriodicSite: Li (13.67, 15.52, 7.98) [0.6731, 0.7641, 0.3929]\n", + " PeriodicSite: Li (11.26, 10.69, 18.37) [0.5545, 0.5264, 0.9045]\n", + " PeriodicSite: Li (0.1079, 2.317, 7.507) [0.005312, 0.1141, 0.3696]\n", + " PeriodicSite: Li (0.9067, 2.744, 19.42) [0.04464, 0.1351, 0.956]\n", + " PeriodicSite: Li (1.102, 13.87, 6.258) [0.05426, 0.6827, 0.3081]\n", + " PeriodicSite: Li (3.044, 13.67, 20.08) [0.1499, 0.6729, 0.9885]\n", + " PeriodicSite: Li (12.69, 1.351, 5.639) [0.625, 0.0665, 0.2776]\n", + " PeriodicSite: Li (13.24, 0.04376, 16.59) [0.6521, 0.00215, 0.8169]\n", + " PeriodicSite: Li (8.679, 11.37, 8.642) [0.4273, 0.5595, 0.4255]\n", + " PeriodicSite: Li (13.65, 15.16, 18.16) [0.6722, 0.7462, 0.8942]\n", + " PeriodicSite: Li (6.933, 0.2049, 3.92) [0.3413, 0.01008, 0.193]\n", + " PeriodicSite: Li (1.966, 20.1, 1.88) [0.09676, 0.9896, 0.09253]\n", + " PeriodicSite: Li (3.527, 13.14, 10.07) [0.1736, 0.6468, 0.4956]\n", + " PeriodicSite: Li (1.247, 17.71, 14.84) [0.06139, 0.872, 0.7306]\n", + " PeriodicSite: Li (14.06, 4.7, 7.912) [0.6921, 0.2314, 0.3895]\n", + " PeriodicSite: Li (15.09, 3.218, 18.2) [0.743, 0.1584, 0.8959]\n", + " PeriodicSite: Li (16.98, 15.5, 8.728) [0.8361, 0.7631, 0.4297]\n", + " PeriodicSite: Li (13.12, 13.27, 0.1263) [0.6457, 0.6533, 0.006225]\n", + " PeriodicSite: Li (3.876, 1.708, 4.015) [0.1908, 0.08408, 0.1976]\n", + " PeriodicSite: Li (4.788, 2.823, 18.55) [0.2357, 0.139, 0.9132]\n", + " PeriodicSite: Li (3.246, 11.97, 5.345) [0.1598, 0.5895, 0.2632]\n", + " PeriodicSite: Li (18.85, 11.0, 2.837) [0.9281, 0.5415, 0.1397]\n", + " PeriodicSite: Li (10.61, 1.199, 7.473) [0.5225, 0.05904, 0.3679]\n", + " PeriodicSite: Li (16.84, 1.221, 16.63) [0.8292, 0.06011, 0.8186]\n", + " PeriodicSite: Li (14.09, 12.31, 4.736) [0.6935, 0.6059, 0.2332]\n", + " PeriodicSite: Li (13.87, 11.1, 16.81) [0.6828, 0.5463, 0.8273]\n", + " PeriodicSite: Li (4.745, 10.67, 17.58) [0.2336, 0.5252, 0.8656]\n", + " PeriodicSite: Li (1.972, 10.3, 9.164) [0.09706, 0.5071, 0.4511]\n", + " PeriodicSite: Li (3.086, 17.03, 0.264) [0.1519, 0.8382, 0.013]\n", + " PeriodicSite: Li (2.051, 0.5126, 9.162) [0.101, 0.02524, 0.451]\n", + " PeriodicSite: Li (12.44, 5.531, 3.391) [0.6126, 0.2723, 0.167]\n", + " PeriodicSite: Li (13.11, 9.88, 14.07) [0.6452, 0.4864, 0.6929]\n", + " PeriodicSite: Li (10.59, 13.36, 6.772) [0.5211, 0.6577, 0.3334]\n", + " PeriodicSite: Li (14.25, 18.34, 14.07) [0.7014, 0.9031, 0.6926]\n", + " PeriodicSite: Li (3.254, 6.691, 0.3522) [0.1602, 0.3294, 0.01734]\n", + " PeriodicSite: Li (3.67, 5.161, 12.22) [0.1807, 0.2541, 0.6014]\n", + " PeriodicSite: Li (6.696, 17.21, 20.25) [0.3296, 0.8472, 0.997]\n", + " PeriodicSite: Li (4.16, 18.24, 14.59) [0.2048, 0.898, 0.7183]\n", + " PeriodicSite: Li (15.27, 7.217, 1.48) [0.7517, 0.3553, 0.07285]\n", + " PeriodicSite: Li (10.76, 6.581, 12.68) [0.5298, 0.324, 0.6244]\n", + " PeriodicSite: Li (13.26, 18.58, 4.595) [0.6526, 0.9145, 0.2262]\n", + " PeriodicSite: Li (10.3, 17.49, 13.8) [0.5073, 0.8612, 0.6793]\n", + " PeriodicSite: Li (1.812, 9.929, 2.045) [0.08921, 0.4888, 0.1007]\n", + " PeriodicSite: Li (4.672, 7.17, 11.02) [0.23, 0.353, 0.5427]\n", + " PeriodicSite: Li (4.521, 16.27, 2.292) [0.2226, 0.8008, 0.1128]\n", + " PeriodicSite: Li (2.803, 15.98, 10.69) [0.138, 0.7865, 0.5262]\n", + " PeriodicSite: Li (12.15, 9.753, 1.319) [0.5984, 0.4802, 0.06496]\n", + " PeriodicSite: Li (12.94, 6.698, 14.54) [0.6368, 0.3297, 0.7158]\n", + " PeriodicSite: Li (12.11, 15.98, 2.59) [0.5961, 0.7869, 0.1275]\n", + " PeriodicSite: Li (13.41, 15.26, 12.08) [0.6604, 0.7514, 0.5948]\n", + " PeriodicSite: Li (0.5634, 6.744, 2.904) [0.02773, 0.332, 0.143]\n", + " PeriodicSite: Li (17.09, 5.506, 8.813) [0.8412, 0.271, 0.4339]\n", + " PeriodicSite: Li (2.275, 17.66, 4.736) [0.112, 0.8694, 0.2332]\n", + " PeriodicSite: Li (0.2781, 18.41, 12.08) [0.01369, 0.9063, 0.5949]\n", + " PeriodicSite: Li (10.23, 7.328, 2.957) [0.5037, 0.3608, 0.1456]\n", + " PeriodicSite: Li (15.0, 8.383, 13.29) [0.7383, 0.4127, 0.6544]\n", + " PeriodicSite: Li (12.89, 16.9, 0.1863) [0.6344, 0.8321, 0.009179]\n", + " PeriodicSite: Li (8.707, 14.08, 16.96) [0.4287, 0.693, 0.8351]\n", + " PeriodicSite: Li (4.993, 8.041, 3.469) [0.2458, 0.3959, 0.1708]\n", + " PeriodicSite: Li (19.93, 12.13, 12.16) [0.9812, 0.5973, 0.5987]\n", + " PeriodicSite: Li (20.15, 17.1, 2.57) [0.9919, 0.8418, 0.1265]\n", + " PeriodicSite: Li (2.936, 19.91, 12.58) [0.1445, 0.98, 0.6195]\n", + " PeriodicSite: Li (16.34, 10.89, 3.077) [0.8046, 0.5359, 0.1515]\n", + " PeriodicSite: Li (13.27, 7.034, 10.54) [0.6531, 0.3463, 0.519]\n", + " PeriodicSite: Li (12.62, 19.89, 0.3545) [0.6213, 0.9791, 0.01746]\n", + " PeriodicSite: Li (14.36, 17.68, 10.76) [0.7071, 0.8703, 0.5299]\n", + " PeriodicSite: Li (3.242, 3.7, 1.341) [0.1596, 0.1822, 0.06602]\n", + " PeriodicSite: Li (4.698, 8.376, 14.01) [0.2313, 0.4124, 0.6897]\n", + " PeriodicSite: Li (4.389, 18.9, 3.239) [0.2161, 0.9306, 0.1595]\n", + " PeriodicSite: Li (2.019, 15.35, 13.46) [0.0994, 0.7557, 0.6627]\n", + " PeriodicSite: Li (13.47, 8.998, 4.24) [0.6631, 0.443, 0.2088]\n", + " PeriodicSite: Li (14.77, 5.713, 12.58) [0.7272, 0.2812, 0.6193]\n", + " PeriodicSite: Li (14.7, 16.84, 2.145) [0.7237, 0.8291, 0.1056]\n", + " PeriodicSite: Li (18.36, 3.265, 15.04) [0.9039, 0.1607, 0.7406]\n", + " PeriodicSite: Li (9.579, 2.999, 3.556) [0.4716, 0.1476, 0.175]\n", + " PeriodicSite: Li (9.57, 3.059, 13.29) [0.4712, 0.1506, 0.6543]\n", + " PeriodicSite: Li (5.556, 11.16, 3.071) [0.2735, 0.5497, 0.1512]\n", + " PeriodicSite: Li (3.296, 11.67, 15.24) [0.1623, 0.5744, 0.7502]\n", + " PeriodicSite: Li (16.33, 1.941, 4.473) [0.8041, 0.09555, 0.2202]\n", + " PeriodicSite: Li (13.13, 3.756, 9.995) [0.6463, 0.1849, 0.492]\n", + " PeriodicSite: Li (19.16, 12.08, 20.29) [0.9431, 0.5949, 0.9989]\n", + " PeriodicSite: Li (17.43, 10.3, 13.01) [0.858, 0.5071, 0.6405]\n", + " PeriodicSite: Li (5.486, 18.5, 6.729) [0.2701, 0.911, 0.3313]\n", + " PeriodicSite: Li (6.819, 1.99, 15.12) [0.3357, 0.09799, 0.7446]\n", + " PeriodicSite: Li (7.434, 13.59, 0.6374) [0.366, 0.6689, 0.03138]\n", + " PeriodicSite: Li (9.766, 13.6, 13.3) [0.4808, 0.6696, 0.6547]\n", + " PeriodicSite: Li (15.08, 20.09, 2.911) [0.7426, 0.9889, 0.1433]\n", + " PeriodicSite: Li (19.8, 1.743, 11.51) [0.9748, 0.08578, 0.5667]\n", + " PeriodicSite: Li (18.11, 14.69, 3.648) [0.8916, 0.7233, 0.1796]\n", + " PeriodicSite: Li (17.06, 14.7, 11.9) [0.8398, 0.7238, 0.5861]\n", + " PeriodicSite: Li (8.067, 5.523, 6.038) [0.3971, 0.2719, 0.2973]\n", + " PeriodicSite: Li (7.082, 0.229, 12.83) [0.3487, 0.01127, 0.6318]\n", + " PeriodicSite: Li (10.3, 13.34, 3.214) [0.5069, 0.6568, 0.1582]\n", + " PeriodicSite: Li (5.302, 13.65, 12.34) [0.261, 0.6722, 0.6074]\n", + " PeriodicSite: Li (19.53, 2.563, 4.366) [0.9615, 0.1262, 0.215]\n", + " PeriodicSite: Li (19.78, 6.045, 12.83) [0.9736, 0.2976, 0.6315]\n", + " PeriodicSite: Li (15.82, 13.76, 1.792) [0.7789, 0.6773, 0.08825]\n", + " PeriodicSite: Li (15.53, 11.88, 13.25) [0.7647, 0.5851, 0.6521]\n", + " PeriodicSite: Li (3.254, 0.03024, 6.756) [0.1602, 0.001488, 0.3326]\n", + " PeriodicSite: Li (5.114, 1.88, 12.98) [0.2518, 0.09254, 0.6388]\n", + " PeriodicSite: Li (5.212, 13.72, 2.004) [0.2566, 0.6755, 0.09864]\n", + " PeriodicSite: Li (7.896, 7.044, 15.17) [0.3887, 0.3468, 0.7467]\n", + " PeriodicSite: Li (18.25, 4.705, 2.619) [0.8986, 0.2316, 0.1289]\n", + " PeriodicSite: Li (17.27, 20.23, 13.64) [0.8501, 0.9961, 0.6715]\n", + " PeriodicSite: Li (16.08, 14.0, 19.07) [0.7917, 0.6895, 0.939]\n", + " PeriodicSite: Li (17.79, 12.3, 10.44) [0.8757, 0.6056, 0.5142]\n", + " PeriodicSite: Li (6.537, 3.072, 0.6971) [0.3218, 0.1513, 0.03432]\n", + " PeriodicSite: Li (5.769, 2.924, 10.37) [0.284, 0.1439, 0.5106]\n", + " PeriodicSite: Li (8.438, 10.73, 1.842) [0.4154, 0.5282, 0.09067]\n", + " PeriodicSite: Li (8.875, 10.59, 12.25) [0.4369, 0.5212, 0.6031]\n", + " PeriodicSite: Li (15.33, 3.422, 1.958) [0.7545, 0.1685, 0.09639]\n", + " PeriodicSite: Li (16.29, 3.249, 11.17) [0.8019, 0.16, 0.5497]\n", + " PeriodicSite: Li (1.28, 10.36, 18.2) [0.06302, 0.5098, 0.8961]\n", + " PeriodicSite: Li (18.95, 13.3, 14.7) [0.9328, 0.6548, 0.7237]\n", + " PeriodicSite: Li (7.99, 0.6387, 0.6997) [0.3934, 0.03144, 0.03445]\n", + " PeriodicSite: Li (8.984, 2.13, 10.45) [0.4423, 0.1049, 0.5144]\n", + " PeriodicSite: Li (7.632, 12.64, 4.911) [0.3757, 0.6224, 0.2418]\n", + " PeriodicSite: Li (4.939, 16.7, 12.1) [0.2431, 0.822, 0.5956]\n", + " PeriodicSite: Li (17.42, 3.175, 20.24) [0.8577, 0.1563, 0.9966]\n", + " PeriodicSite: Li (1.769, 7.071, 14.97) [0.08708, 0.3481, 0.7368]\n", + " PeriodicSite: Li (4.353, 14.76, 7.873) [0.2143, 0.7265, 0.3876]\n", + " PeriodicSite: Li (13.71, 12.8, 9.63) [0.675, 0.6302, 0.4741]\n", + " PeriodicSite: Li (13.72, 10.3, 6.893) [0.6757, 0.5073, 0.3393]\n", + " PeriodicSite: Li (5.45, 7.956, 17.46) [0.2683, 0.3917, 0.8594]\n", + " PeriodicSite: Li (7.686, 13.92, 10.45) [0.3784, 0.6852, 0.5144]\n", + " PeriodicSite: Li (5.249, 15.35, 18.18) [0.2584, 0.7559, 0.8951]\n", + " PeriodicSite: Li (16.97, 9.999, 7.039) [0.8354, 0.4923, 0.3465]\n", + " PeriodicSite: Li (2.884, 4.957, 18.38) [0.142, 0.244, 0.9049]\n", + " PeriodicSite: Li (18.21, 18.22, 5.501) [0.8963, 0.8971, 0.2708]\n", + " PeriodicSite: Li (20.1, 17.99, 19.73) [0.9895, 0.8856, 0.9714]\n", + " PeriodicSite: Li (7.482, 9.483, 5.528) [0.3684, 0.4669, 0.2722]\n", + " PeriodicSite: Li (9.618, 5.918, 17.15) [0.4735, 0.2914, 0.8444]\n", + " PeriodicSite: Li (8.325, 20.04, 8.132) [0.4098, 0.9867, 0.4003]\n", + " PeriodicSite: Li (7.702, 17.43, 15.59) [0.3792, 0.8583, 0.7675]\n", + " PeriodicSite: Li (18.28, 8.182, 9.403) [0.9001, 0.4028, 0.4629]\n", + " PeriodicSite: Li (16.43, 5.83, 18.71) [0.8086, 0.287, 0.9211]\n", + " PeriodicSite: Li (17.99, 20.3, 8.241) [0.8858, 0.9996, 0.4057]\n", + " PeriodicSite: Li (18.58, 16.16, 16.3) [0.9149, 0.7955, 0.8027]\n", + " PeriodicSite: Li (6.273, 5.484, 8.65) [0.3088, 0.27, 0.4258]\n", + " PeriodicSite: Li (6.844, 5.313, 18.76) [0.337, 0.2615, 0.9235]\n", + " PeriodicSite: Li (9.251, 17.59, 9.634) [0.4554, 0.866, 0.4743]\n", + " PeriodicSite: Li (11.96, 13.93, 15.23) [0.5887, 0.6858, 0.7499]\n", + " PeriodicSite: Li (19.59, 7.24, 6.93) [0.9643, 0.3564, 0.3412]\n", + " PeriodicSite: Li (19.72, 6.935, 16.67) [0.9707, 0.3414, 0.8209]\n", + " PeriodicSite: Li (17.16, 17.55, 10.18) [0.8449, 0.8641, 0.501]\n", + " PeriodicSite: Li (16.32, 17.04, 19.66) [0.8036, 0.839, 0.9679]\n", + " PeriodicSite: Li (8.347, 8.154, 9.888) [0.4109, 0.4014, 0.4868]\n", + " PeriodicSite: Li (6.375, 5.78, 1.629) [0.3139, 0.2845, 0.08022]\n", + " PeriodicSite: Li (5.754, 17.31, 9.105) [0.2832, 0.8523, 0.4482]\n", + " PeriodicSite: Li (8.212, 15.39, 3.237) [0.4043, 0.7579, 0.1593]\n", + " PeriodicSite: Li (15.3, 7.408, 8.367) [0.7532, 0.3647, 0.4119]\n", + " PeriodicSite: Li (18.31, 8.725, 19.84) [0.9015, 0.4295, 0.9769]\n", + " PeriodicSite: Li (15.38, 18.54, 7.31) [0.7574, 0.9129, 0.3599]\n", + " PeriodicSite: Li (15.76, 18.48, 16.85) [0.776, 0.9097, 0.8293]\n", + " PeriodicSite: Li (6.843, 4.904, 11.92) [0.3369, 0.2414, 0.5868]\n", + " PeriodicSite: Li (8.219, 9.82, 18.55) [0.4046, 0.4834, 0.9131]\n", + " PeriodicSite: Li (9.313, 17.76, 5.958) [0.4585, 0.8742, 0.2933]\n", + " PeriodicSite: Li (10.42, 18.81, 2.016) [0.513, 0.9263, 0.09925]\n", + " PeriodicSite: Li (16.78, 8.272, 5.092) [0.826, 0.4072, 0.2507]\n", + " PeriodicSite: Li (13.85, 6.682, 19.11) [0.6817, 0.3289, 0.941]\n", + " PeriodicSite: Li (19.87, 17.78, 8.167) [0.9782, 0.8754, 0.4021]\n", + " PeriodicSite: Li (17.86, 0.2707, 1.952) [0.8795, 0.01332, 0.09611]\n", + " PeriodicSite: Li (2.798, 9.133, 4.984) [0.1378, 0.4496, 0.2454]\n", + " PeriodicSite: Li (9.531, 7.788, 19.48) [0.4692, 0.3834, 0.9591]\n", + " PeriodicSite: Li (8.193, 15.62, 7.309) [0.4034, 0.7688, 0.3598]\n", + " PeriodicSite: Li (5.344, 19.77, 17.15) [0.2631, 0.9733, 0.8442]\n", + " PeriodicSite: Li (17.92, 5.61, 5.757) [0.8823, 0.2762, 0.2834]\n", + " PeriodicSite: Li (16.44, 12.06, 15.88) [0.8092, 0.5939, 0.7816]\n", + " PeriodicSite: Li (2.014, 15.37, 2.803) [0.09913, 0.7566, 0.138]\n", + " PeriodicSite: Li (14.4, 1.415, 13.73) [0.7089, 0.06966, 0.676]\n", + " PeriodicSite: Cl (7.673, 12.64, 12.9) [0.3777, 0.6221, 0.6353]\n", + " PeriodicSite: Cl (2.447, 12.36, 18.09) [0.1205, 0.6083, 0.8905]\n", + " PeriodicSite: Cl (12.53, 17.41, 12.23) [0.6167, 0.8572, 0.602]\n", + " PeriodicSite: Cl (17.75, 7.519, 17.86) [0.8739, 0.3702, 0.8791]\n", + " PeriodicSite: Cl (7.564, 2.136, 2.412) [0.3724, 0.1051, 0.1187]\n", + " PeriodicSite: Cl (7.609, 7.304, 7.948) [0.3746, 0.3596, 0.3913]\n", + " PeriodicSite: Cl (12.83, 12.8, 7.381) [0.6316, 0.6303, 0.3634]\n", + " PeriodicSite: Cl (2.671, 7.596, 2.698) [0.1315, 0.3739, 0.1328]\n", + " PeriodicSite: Cl (2.93, 7.456, 12.96) [0.1443, 0.3671, 0.6383]\n", + " PeriodicSite: Cl (12.26, 12.74, 17.97) [0.6036, 0.6272, 0.8846]\n", + " PeriodicSite: Cl (17.74, 17.84, 17.82) [0.8734, 0.8784, 0.8772]\n", + " PeriodicSite: Cl (2.522, 2.372, 7.55) [0.1242, 0.1168, 0.3717]\n", + " PeriodicSite: Cl (12.71, 2.617, 17.73) [0.6258, 0.1288, 0.8726]\n", + " PeriodicSite: Cl (12.6, 7.635, 2.404) [0.6201, 0.3759, 0.1184]\n", + " PeriodicSite: Cl (17.95, 2.645, 12.99) [0.8839, 0.1302, 0.6396]\n", + " PeriodicSite: Cl (7.294, 18.09, 17.81) [0.3591, 0.8906, 0.8766]\n", + " PeriodicSite: Cl (0.3797, 0.1621, 0.2143) [0.0187, 0.007978, 0.01055]\n", + " PeriodicSite: Cl (0.3314, 20.07, 10.47) [0.01631, 0.9879, 0.5154]\n", + " PeriodicSite: Cl (20.17, 10.35, 0.9023) [0.993, 0.5095, 0.04443]\n", + " PeriodicSite: Cl (20.2, 10.9, 10.01) [0.9943, 0.5368, 0.4929]\n", + " PeriodicSite: Cl (9.863, 20.08, 20.24) [0.4856, 0.9884, 0.9963]\n", + " PeriodicSite: Cl (10.02, 0.2193, 9.437) [0.4935, 0.01079, 0.4646]\n", + " PeriodicSite: Cl (9.948, 9.897, 20.14) [0.4898, 0.4873, 0.9913]\n", + " PeriodicSite: Cl (10.04, 10.17, 10.29) [0.4941, 0.5005, 0.5064]\n", + " PeriodicSite: Cl (20.0, 4.825, 4.815) [0.9845, 0.2375, 0.2371]\n", + " PeriodicSite: Cl (0.07507, 5.143, 15.09) [0.003698, 0.2532, 0.7428]\n", + " PeriodicSite: Cl (20.3, 15.68, 4.655) [0.9992, 0.7718, 0.2292]\n", + " PeriodicSite: Cl (0.08961, 15.26, 14.95) [0.004409, 0.7515, 0.7358]\n", + " PeriodicSite: Cl (10.12, 4.984, 4.932) [0.4983, 0.2453, 0.2428]\n", + " PeriodicSite: Cl (10.54, 5.276, 15.17) [0.5191, 0.2597, 0.7466]\n", + " PeriodicSite: Cl (9.81, 14.89, 5.062) [0.483, 0.7332, 0.2492]\n", + " PeriodicSite: Cl (9.962, 15.05, 15.17) [0.4904, 0.7409, 0.7471]\n", + " PeriodicSite: S (4.823, 20.27, 5.209) [0.2374, 0.9981, 0.2565]\n", + " PeriodicSite: S (5.273, 0.2074, 14.66) [0.2596, 0.01021, 0.7215]\n", + " PeriodicSite: S (4.903, 9.959, 5.236) [0.2414, 0.4903, 0.2578]\n", + " PeriodicSite: S (5.193, 10.19, 15.47) [0.2557, 0.5015, 0.7616]\n", + " PeriodicSite: S (14.97, 0.203, 5.391) [0.737, 0.00999, 0.2654]\n", + " PeriodicSite: S (15.41, 0.005123, 15.3) [0.7585, 0.0002463, 0.7533]\n", + " PeriodicSite: S (15.23, 10.25, 4.987) [0.7498, 0.5047, 0.2455]\n", + " PeriodicSite: S (15.31, 10.2, 14.99) [0.7535, 0.5022, 0.7379]\n", + " PeriodicSite: S (4.845, 4.876, 0.1388) [0.2385, 0.24, 0.006834]\n", + " PeriodicSite: S (4.98, 5.067, 10.33) [0.2452, 0.2495, 0.5087]\n", + " PeriodicSite: S (5.026, 15.5, 0.2103) [0.2474, 0.7632, 0.01036]\n", + " PeriodicSite: S (4.914, 15.22, 10.37) [0.2419, 0.7494, 0.5103]\n", + " PeriodicSite: S (15.05, 5.14, 20.22) [0.7411, 0.253, 0.9954]\n", + " PeriodicSite: S (14.94, 5.264, 10.24) [0.7353, 0.2591, 0.5041]\n", + " PeriodicSite: S (14.69, 15.17, 20.23) [0.7232, 0.747, 0.996]\n", + " PeriodicSite: S (15.08, 15.37, 10.19) [0.7422, 0.7565, 0.5015]\n", + " PeriodicSite: S (8.925, 3.807, 8.633) [0.4394, 0.1874, 0.425]\n", + " PeriodicSite: S (8.637, 3.913, 18.86) [0.4252, 0.1926, 0.9286]\n", + " PeriodicSite: S (9.232, 13.77, 8.602) [0.4545, 0.6778, 0.4235]\n", + " PeriodicSite: S (8.655, 14.55, 19.29) [0.4261, 0.7164, 0.9495]\n", + " PeriodicSite: S (18.86, 3.675, 8.959) [0.9287, 0.1809, 0.4411]\n", + " PeriodicSite: S (19.39, 4.383, 18.94) [0.9545, 0.2158, 0.9324]\n", + " PeriodicSite: S (18.82, 13.84, 9.114) [0.9264, 0.6814, 0.4487]\n", + " PeriodicSite: S (18.97, 14.01, 19.17) [0.9338, 0.6897, 0.9439]\n", + " PeriodicSite: S (3.864, 1.227, 1.396) [0.1902, 0.0604, 0.06875]\n", + " PeriodicSite: S (3.728, 1.039, 10.94) [0.1835, 0.05114, 0.5386]\n", + " PeriodicSite: S (3.882, 11.48, 1.508) [0.1911, 0.5651, 0.07423]\n", + " PeriodicSite: S (4.078, 11.33, 11.88) [0.2008, 0.5579, 0.5847]\n", + " PeriodicSite: S (14.19, 1.354, 1.037) [0.6987, 0.06666, 0.05105]\n", + " PeriodicSite: S (14.02, 1.706, 11.23) [0.6903, 0.08396, 0.5526]\n", + " PeriodicSite: S (14.01, 11.49, 1.249) [0.6896, 0.5659, 0.0615]\n", + " PeriodicSite: S (13.89, 10.97, 11.41) [0.6837, 0.5401, 0.5618]\n", + " PeriodicSite: S (6.259, 0.9838, 8.798) [0.3081, 0.04843, 0.4331]\n", + " PeriodicSite: S (6.351, 1.105, 19.49) [0.3127, 0.05442, 0.9596]\n", + " PeriodicSite: S (6.248, 11.68, 9.276) [0.3076, 0.5751, 0.4567]\n", + " PeriodicSite: S (6.433, 11.35, 19.51) [0.3167, 0.559, 0.9603]\n", + " PeriodicSite: S (16.53, 1.568, 9.208) [0.8137, 0.07718, 0.4533]\n", + " PeriodicSite: S (16.47, 1.429, 18.97) [0.811, 0.07033, 0.9338]\n", + " PeriodicSite: S (16.18, 11.3, 9.071) [0.7965, 0.5563, 0.4466]\n", + " PeriodicSite: S (16.04, 11.55, 19.01) [0.7897, 0.5684, 0.9359]\n", + " PeriodicSite: S (0.9292, 4.092, 1.544) [0.04574, 0.2015, 0.07599]\n", + " PeriodicSite: S (1.171, 3.789, 11.03) [0.05763, 0.1866, 0.5431]\n", + " PeriodicSite: S (0.9999, 13.85, 1.189) [0.04922, 0.6817, 0.05852]\n", + " PeriodicSite: S (1.287, 13.8, 11.29) [0.06334, 0.6794, 0.556]\n", + " PeriodicSite: S (10.82, 3.567, 1.088) [0.5328, 0.1756, 0.05355]\n", + " PeriodicSite: S (11.12, 3.857, 11.3) [0.5474, 0.1899, 0.5563]\n", + " PeriodicSite: S (11.22, 14.25, 1.073) [0.5521, 0.7015, 0.05285]\n", + " PeriodicSite: S (11.73, 13.64, 10.99) [0.5773, 0.6716, 0.5411]\n", + " PeriodicSite: S (2.636, 2.475, 17.82) [0.1298, 0.1218, 0.8774]\n", + " PeriodicSite: S (2.744, 12.34, 7.578) [0.1351, 0.6073, 0.3731]\n", + " PeriodicSite: S (12.64, 2.486, 7.787) [0.6224, 0.1224, 0.3834]\n", + " PeriodicSite: S (9.019, 9.09, 3.695) [0.444, 0.4475, 0.1819]\n", + " PeriodicSite: S (9.35, 8.841, 14.12) [0.4603, 0.4353, 0.6953]\n", + " PeriodicSite: S (8.841, 18.94, 3.888) [0.4353, 0.9325, 0.1914]\n", + " PeriodicSite: S (8.886, 19.27, 14.12) [0.4375, 0.9488, 0.6953]\n", + " PeriodicSite: S (19.21, 8.868, 4.213) [0.9457, 0.4366, 0.2074]\n", + " PeriodicSite: S (19.28, 9.094, 14.08) [0.9494, 0.4477, 0.693]\n", + " PeriodicSite: S (19.14, 19.08, 3.559) [0.9421, 0.9393, 0.1752]\n", + " PeriodicSite: S (19.64, 18.93, 14.28) [0.967, 0.9322, 0.703]\n", + " PeriodicSite: S (3.792, 6.327, 6.334) [0.1867, 0.3115, 0.3118]\n", + " PeriodicSite: S (3.805, 6.327, 16.39) [0.1873, 0.3115, 0.8067]\n", + " PeriodicSite: S (3.704, 16.42, 6.311) [0.1823, 0.8085, 0.3107]\n", + " PeriodicSite: S (3.717, 16.51, 16.32) [0.183, 0.813, 0.8034]\n", + " PeriodicSite: S (13.6, 6.134, 5.977) [0.6697, 0.302, 0.2942]\n", + " PeriodicSite: S (14.28, 6.618, 16.56) [0.7031, 0.3258, 0.8154]\n", + " PeriodicSite: S (13.96, 16.88, 5.886) [0.6873, 0.8309, 0.2898]\n", + " PeriodicSite: S (14.02, 16.62, 16.29) [0.6904, 0.8181, 0.802]\n", + " PeriodicSite: S (6.255, 6.248, 4.143) [0.3079, 0.3076, 0.204]\n", + " PeriodicSite: S (6.011, 6.231, 13.85) [0.2959, 0.3067, 0.6819]\n", + " PeriodicSite: S (6.216, 16.68, 3.882) [0.306, 0.8212, 0.1911]\n", + " PeriodicSite: S (5.942, 16.58, 14.18) [0.2925, 0.8162, 0.6983]\n", + " PeriodicSite: S (15.95, 5.926, 3.453) [0.7852, 0.2917, 0.17]\n", + " PeriodicSite: S (16.6, 6.463, 13.99) [0.8174, 0.3182, 0.6889]\n", + " PeriodicSite: S (16.73, 16.54, 3.87) [0.8234, 0.8144, 0.1905]\n", + " PeriodicSite: S (16.7, 16.42, 14.2) [0.8222, 0.8086, 0.699]\n", + " PeriodicSite: S (0.9942, 8.904, 6.746) [0.04895, 0.4383, 0.3321]\n", + " PeriodicSite: S (1.152, 8.934, 16.4) [0.05672, 0.4398, 0.8072]\n", + " PeriodicSite: S (0.9564, 19.07, 6.411) [0.04708, 0.939, 0.3156]\n", + " PeriodicSite: S (1.594, 19.4, 16.29) [0.07846, 0.9553, 0.802]\n", + " PeriodicSite: S (11.67, 8.68, 5.679) [0.5745, 0.4273, 0.2796]\n", + " PeriodicSite: S (12.01, 9.139, 16.3) [0.5915, 0.4499, 0.8023]\n", + " PeriodicSite: S (11.13, 19.0, 6.117) [0.5477, 0.9356, 0.3011]\n", + " PeriodicSite: S (11.15, 18.92, 16.18) [0.549, 0.9313, 0.7963]\n", + " PeriodicSite: S (2.687, 17.62, 2.511) [0.1323, 0.8675, 0.1236]\n", + " PeriodicSite: S (2.666, 17.51, 12.64) [0.1313, 0.8623, 0.6224]\n", + " PeriodicSite: S (12.9, 7.818, 12.71) [0.6352, 0.3849, 0.6257]\n", + " PeriodicSite: S (12.81, 18.06, 2.189) [0.6305, 0.8893, 0.1078]\n", + " PeriodicSite: S (3.534, 4.123, 4.114) [0.174, 0.203, 0.2026]\n", + " PeriodicSite: S (3.922, 3.717, 14.18) [0.1931, 0.183, 0.6981]\n", + " PeriodicSite: S (3.78, 14.16, 3.998) [0.1861, 0.697, 0.1968]\n", + " PeriodicSite: S (3.908, 13.93, 14.11) [0.1924, 0.6859, 0.6948]\n", + " PeriodicSite: S (13.71, 3.548, 3.802) [0.6751, 0.1747, 0.1872]\n", + " PeriodicSite: S (14.25, 4.044, 14.21) [0.7014, 0.1991, 0.6996]\n", + " PeriodicSite: S (14.16, 14.42, 3.582) [0.6973, 0.7098, 0.1764]\n", + " PeriodicSite: S (14.36, 13.96, 14.21) [0.707, 0.6874, 0.6994]\n", + " PeriodicSite: S (8.663, 0.9526, 6.085) [0.4265, 0.0469, 0.2996]\n", + " PeriodicSite: S (8.888, 1.091, 16.69) [0.4376, 0.0537, 0.8215]\n", + " PeriodicSite: S (9.564, 11.24, 6.346) [0.4709, 0.5533, 0.3124]\n", + " PeriodicSite: S (9.388, 11.15, 16.62) [0.4622, 0.5491, 0.8184]\n", + " PeriodicSite: S (18.84, 1.048, 6.043) [0.9274, 0.0516, 0.2975]\n", + " PeriodicSite: S (19.68, 1.578, 16.13) [0.969, 0.07768, 0.7942]\n", + " PeriodicSite: S (19.03, 11.33, 6.608) [0.9369, 0.5576, 0.3253]\n", + " PeriodicSite: S (19.44, 11.61, 16.7) [0.957, 0.5716, 0.8221]\n", + " PeriodicSite: S (0.9992, 1.266, 3.912) [0.04919, 0.06231, 0.1926]\n", + " PeriodicSite: S (1.599, 1.371, 13.73) [0.07873, 0.0675, 0.6758]\n", + " PeriodicSite: S (1.184, 11.14, 4.216) [0.05829, 0.5485, 0.2076]\n", + " PeriodicSite: S (1.192, 11.51, 14.25) [0.0587, 0.5668, 0.7015]\n", + " PeriodicSite: S (11.13, 1.023, 3.737) [0.5482, 0.05037, 0.184]\n", + " PeriodicSite: S (11.5, 1.385, 14.3) [0.566, 0.06817, 0.7041]\n", + " PeriodicSite: S (11.52, 11.34, 3.577) [0.5669, 0.5583, 0.1761]\n", + " PeriodicSite: S (11.06, 11.5, 13.98) [0.5446, 0.5663, 0.6885]\n", + " PeriodicSite: S (6.06, 3.864, 6.44) [0.2983, 0.1902, 0.3171]\n", + " PeriodicSite: S (6.227, 3.904, 16.69) [0.3065, 0.1922, 0.8214]\n", + " PeriodicSite: S (6.181, 14.19, 6.183) [0.3043, 0.6986, 0.3044]\n", + " PeriodicSite: S (6.274, 14.06, 16.34) [0.3089, 0.6923, 0.8045]\n", + " PeriodicSite: S (16.16, 3.955, 6.311) [0.7956, 0.1947, 0.3107]\n", + " PeriodicSite: S (16.57, 4.157, 16.54) [0.8158, 0.2047, 0.8144]\n", + " PeriodicSite: S (15.96, 14.39, 6.415) [0.7859, 0.7083, 0.3158]\n", + " PeriodicSite: S (16.58, 14.47, 16.79) [0.816, 0.7123, 0.8265]\n", + " PeriodicSite: S (7.295, 2.633, 12.35) [0.3591, 0.1296, 0.6081]\n", + " PeriodicSite: S (7.533, 12.88, 2.742) [0.3709, 0.634, 0.135]\n", + " PeriodicSite: S (17.35, 2.493, 2.249) [0.8541, 0.1227, 0.1107]\n", + " PeriodicSite: S (17.62, 12.8, 3.091) [0.8677, 0.63, 0.1522]\n", + " PeriodicSite: S (17.84, 12.58, 12.78) [0.8781, 0.6192, 0.6294]\n", + " PeriodicSite: S (4.117, 9.145, 9.368) [0.2027, 0.4502, 0.4612]\n", + " PeriodicSite: S (3.927, 9.064, 19.72) [0.1933, 0.4462, 0.9708]\n", + " PeriodicSite: S (3.699, 18.93, 8.815) [0.1821, 0.9317, 0.434]\n", + " PeriodicSite: S (4.112, 19.23, 19.17) [0.2025, 0.9468, 0.9437]\n", + " PeriodicSite: S (13.8, 8.899, 8.952) [0.6793, 0.4381, 0.4407]\n", + " PeriodicSite: S (13.52, 9.076, 19.33) [0.6656, 0.4468, 0.9517]\n", + " PeriodicSite: S (13.92, 19.44, 9.18) [0.6855, 0.9573, 0.452]\n", + " PeriodicSite: S (14.2, 19.08, 18.87) [0.6992, 0.9394, 0.929]\n", + " PeriodicSite: S (8.784, 6.298, 0.9461) [0.4324, 0.3101, 0.04658]\n", + " PeriodicSite: S (8.883, 6.263, 11.15) [0.4373, 0.3083, 0.5488]\n", + " PeriodicSite: S (9.079, 16.79, 1.31) [0.447, 0.8265, 0.06451]\n", + " PeriodicSite: S (9.535, 15.8, 11.48) [0.4694, 0.7777, 0.5653]\n", + " PeriodicSite: S (19.09, 6.601, 1.218) [0.9397, 0.325, 0.05997]\n", + " PeriodicSite: S (19.32, 6.517, 10.5) [0.9511, 0.3208, 0.5171]\n", + " PeriodicSite: S (18.97, 16.39, 0.8499) [0.934, 0.807, 0.04185]\n", + " PeriodicSite: S (19.28, 16.28, 11.42) [0.9493, 0.8016, 0.5623]\n", + " PeriodicSite: S (1.122, 5.68, 8.245) [0.05521, 0.2796, 0.4059]\n", + " PeriodicSite: S (1.459, 6.495, 19.44) [0.07185, 0.3198, 0.9571]\n", + " PeriodicSite: S (0.946, 16.04, 8.804) [0.04657, 0.7895, 0.4335]\n", + " PeriodicSite: S (1.135, 16.12, 18.94) [0.05586, 0.7936, 0.9326]\n", + " PeriodicSite: S (11.3, 6.081, 8.795) [0.5565, 0.2994, 0.433]\n", + " PeriodicSite: S (10.9, 6.026, 18.92) [0.5365, 0.2967, 0.9316]\n", + " PeriodicSite: S (11.3, 16.22, 8.745) [0.5564, 0.7984, 0.4305]\n", + " PeriodicSite: S (11.16, 16.69, 19.06) [0.5494, 0.8217, 0.9382]\n", + " PeriodicSite: S (6.336, 9.223, 1.688) [0.3119, 0.454, 0.08308]\n", + " PeriodicSite: S (6.571, 9.233, 11.72) [0.3235, 0.4545, 0.5769]\n", + " PeriodicSite: S (6.197, 19.15, 1.545) [0.3051, 0.9427, 0.07604]\n", + " PeriodicSite: S (6.224, 18.9, 10.93) [0.3064, 0.9304, 0.5382]\n", + " PeriodicSite: S (16.23, 9.228, 0.9154) [0.7991, 0.4543, 0.04507]\n", + " PeriodicSite: S (16.32, 8.732, 11.14) [0.8033, 0.4299, 0.5485]\n", + " PeriodicSite: S (16.54, 19.11, 0.8602) [0.8143, 0.9407, 0.04235]\n", + " PeriodicSite: S (16.1, 19.47, 11.66) [0.7928, 0.9587, 0.5738]\n", + " PeriodicSite: S (7.753, 7.672, 17.57) [0.3817, 0.3777, 0.8652]\n", + " PeriodicSite: S (7.702, 17.89, 7.816) [0.3792, 0.8807, 0.3848]\n", + " PeriodicSite: S (17.41, 7.398, 7.374) [0.857, 0.3642, 0.363]\n", + " PeriodicSite: S (17.65, 18.02, 7.903) [0.869, 0.887, 0.3891]\n", + " PeriodicSite: P (5.07, 20.27, 0.2138) [0.2496, 0.9979, 0.01053]\n", + " PeriodicSite: P (4.941, 20.06, 9.942) [0.2433, 0.9877, 0.4894]\n", + " PeriodicSite: P (5.155, 10.26, 0.3831) [0.2538, 0.505, 0.01886]\n", + " PeriodicSite: P (5.245, 10.36, 10.58) [0.2582, 0.51, 0.5206]\n", + " PeriodicSite: P (15.38, 0.1264, 20.04) [0.7571, 0.006216, 0.9867]\n", + " PeriodicSite: P (15.18, 0.4189, 10.22) [0.7474, 0.02062, 0.503]\n", + " PeriodicSite: P (14.85, 10.33, 20.23) [0.731, 0.5087, 0.9959]\n", + " PeriodicSite: P (15.1, 9.998, 10.19) [0.7435, 0.4922, 0.5018]\n", + " PeriodicSite: P (4.997, 5.077, 5.302) [0.246, 0.2499, 0.261]\n", + " PeriodicSite: P (5.044, 5.075, 15.32) [0.2483, 0.2498, 0.7542]\n", + " PeriodicSite: P (5.114, 15.55, 5.014) [0.2518, 0.7654, 0.2468]\n", + " PeriodicSite: P (4.916, 15.28, 15.32) [0.242, 0.7521, 0.7541]\n", + " PeriodicSite: P (14.84, 4.812, 4.983) [0.7307, 0.2369, 0.2453]\n", + " PeriodicSite: P (15.35, 5.365, 15.36) [0.7556, 0.2641, 0.7563]\n", + " PeriodicSite: P (15.13, 15.56, 4.919) [0.745, 0.7661, 0.2421]\n", + " PeriodicSite: P (15.46, 15.39, 15.32) [0.7609, 0.7575, 0.7542]\n", + " PeriodicSite: P (20.23, 20.18, 4.945) [0.996, 0.9934, 0.2435]\n", + " PeriodicSite: P (0.4285, 0.1796, 15.07) [0.0211, 0.008843, 0.742]\n", + " PeriodicSite: P (20.23, 10.07, 5.484) [0.9957, 0.4959, 0.27]\n", + " PeriodicSite: P (20.28, 10.34, 15.29) [0.9983, 0.5093, 0.7529]\n", + " PeriodicSite: P (9.917, 20.26, 4.972) [0.4882, 0.9973, 0.2448]\n", + " PeriodicSite: P (10.08, 0.1383, 15.29) [0.4961, 0.006807, 0.7526]\n", + " PeriodicSite: P (10.52, 10.13, 4.927) [0.5178, 0.4985, 0.2426]\n", + " PeriodicSite: P (10.37, 10.09, 15.33) [0.5104, 0.4965, 0.7547]\n", + " PeriodicSite: P (0.07828, 5.453, 0.1789) [0.003851, 0.2684, 0.008808]\n", + " PeriodicSite: P (0.01586, 4.928, 9.667) [0.0007812, 0.2426, 0.4759]\n", + " PeriodicSite: P (20.21, 15.14, 20.15) [0.9948, 0.7456, 0.9923]\n", + " PeriodicSite: P (20.17, 14.95, 10.17) [0.9932, 0.7361, 0.5007]\n", + " PeriodicSite: P (9.748, 4.886, 20.22) [0.4799, 0.2405, 0.9953]\n", + " PeriodicSite: P (10.01, 4.975, 9.929) [0.493, 0.2449, 0.4888]\n", + " PeriodicSite: P (10.0, 15.62, 0.01524) [0.4924, 0.769, 0.0007541]\n", + " PeriodicSite: P (10.45, 14.93, 9.931) [0.5142, 0.735, 0.4889],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.876, 4.85, 5.517) [0.09238, 0.2388, 0.2716]\n", + " PeriodicSite: Li (1.45, 3.149, 15.57) [0.0714, 0.155, 0.7666]\n", + " PeriodicSite: Li (0.2428, 12.12, 8.221) [0.01195, 0.5966, 0.4047]\n", + " PeriodicSite: Li (0.3748, 13.8, 17.03) [0.01845, 0.6795, 0.8383]\n", + " PeriodicSite: Li (14.86, 1.222, 6.967) [0.7313, 0.06013, 0.343]\n", + " PeriodicSite: Li (12.1, 2.883, 15.42) [0.5958, 0.1419, 0.7589]\n", + " PeriodicSite: Li (17.34, 12.61, 5.098) [0.8535, 0.6209, 0.251]\n", + " PeriodicSite: Li (17.36, 8.736, 15.8) [0.8544, 0.4301, 0.7781]\n", + " PeriodicSite: Li (2.933, 4.124, 9.47) [0.1444, 0.203, 0.4662]\n", + " PeriodicSite: Li (2.498, 0.2937, 18.56) [0.123, 0.01446, 0.9137]\n", + " PeriodicSite: Li (5.302, 8.306, 7.38) [0.261, 0.4089, 0.3633]\n", + " PeriodicSite: Li (7.381, 9.312, 15.67) [0.3634, 0.4584, 0.7713]\n", + " PeriodicSite: Li (11.51, 4.502, 7.208) [0.5666, 0.2216, 0.3549]\n", + " PeriodicSite: Li (12.8, 3.917, 20.18) [0.63, 0.1928, 0.9935]\n", + " PeriodicSite: Li (12.16, 9.496, 11.14) [0.5989, 0.4675, 0.5482]\n", + " PeriodicSite: Li (10.07, 18.88, 18.36) [0.4957, 0.9296, 0.9037]\n", + " PeriodicSite: Li (6.163, 1.708, 6.133) [0.3034, 0.08409, 0.3019]\n", + " PeriodicSite: Li (3.44, 0.9928, 15.82) [0.1694, 0.04888, 0.7787]\n", + " PeriodicSite: Li (4.881, 11.14, 7.791) [0.2403, 0.5487, 0.3836]\n", + " PeriodicSite: Li (6.205, 12.3, 15.13) [0.3055, 0.6055, 0.7451]\n", + " PeriodicSite: Li (12.22, 0.7083, 9.505) [0.6018, 0.03486, 0.468]\n", + " PeriodicSite: Li (10.14, 1.77, 18.59) [0.4993, 0.08716, 0.9153]\n", + " PeriodicSite: Li (14.31, 14.97, 7.826) [0.7044, 0.7371, 0.3853]\n", + " PeriodicSite: Li (11.28, 10.44, 18.24) [0.5553, 0.5142, 0.898]\n", + " PeriodicSite: Li (0.09301, 2.902, 7.504) [0.00458, 0.1429, 0.3694]\n", + " PeriodicSite: Li (0.171, 2.014, 18.44) [0.008425, 0.09917, 0.9078]\n", + " PeriodicSite: Li (1.707, 14.9, 7.162) [0.08403, 0.7335, 0.3526]\n", + " PeriodicSite: Li (2.954, 13.27, 20.09) [0.1454, 0.6532, 0.9893]\n", + " PeriodicSite: Li (12.73, 1.896, 5.278) [0.6266, 0.09333, 0.2599]\n", + " PeriodicSite: Li (13.71, 0.6424, 17.01) [0.6749, 0.03162, 0.8376]\n", + " PeriodicSite: Li (9.952, 11.51, 8.731) [0.49, 0.5666, 0.4298]\n", + " PeriodicSite: Li (13.69, 15.83, 18.53) [0.674, 0.7794, 0.9122]\n", + " PeriodicSite: Li (7.02, 0.2642, 3.812) [0.3456, 0.01301, 0.1877]\n", + " PeriodicSite: Li (1.97, 20.04, 1.826) [0.097, 0.9866, 0.08989]\n", + " PeriodicSite: Li (2.989, 13.19, 10.16) [0.1472, 0.6494, 0.5001]\n", + " PeriodicSite: Li (1.863, 17.12, 15.23) [0.09173, 0.8428, 0.7498]\n", + " PeriodicSite: Li (14.32, 4.282, 7.55) [0.7047, 0.2108, 0.3717]\n", + " PeriodicSite: Li (14.95, 3.292, 18.35) [0.7358, 0.1621, 0.9032]\n", + " PeriodicSite: Li (16.94, 15.67, 7.875) [0.8339, 0.7713, 0.3877]\n", + " PeriodicSite: Li (13.02, 13.29, 20.05) [0.6409, 0.6544, 0.987]\n", + " PeriodicSite: Li (3.717, 1.676, 4.098) [0.183, 0.08252, 0.2017]\n", + " PeriodicSite: Li (5.06, 2.975, 18.31) [0.2491, 0.1465, 0.9012]\n", + " PeriodicSite: Li (3.128, 11.91, 5.684) [0.154, 0.5863, 0.2798]\n", + " PeriodicSite: Li (19.44, 11.02, 2.791) [0.9569, 0.5426, 0.1374]\n", + " PeriodicSite: Li (10.62, 1.233, 7.611) [0.5228, 0.06069, 0.3747]\n", + " PeriodicSite: Li (16.9, 0.2416, 16.85) [0.832, 0.01189, 0.8297]\n", + " PeriodicSite: Li (13.67, 12.55, 5.248) [0.6728, 0.6181, 0.2584]\n", + " PeriodicSite: Li (14.43, 10.08, 17.13) [0.7102, 0.4965, 0.8432]\n", + " PeriodicSite: Li (5.037, 11.03, 17.77) [0.248, 0.5433, 0.8748]\n", + " PeriodicSite: Li (2.217, 10.48, 8.35) [0.1091, 0.5158, 0.4111]\n", + " PeriodicSite: Li (2.742, 16.45, 0.07543) [0.135, 0.8098, 0.003715]\n", + " PeriodicSite: Li (1.695, 0.6165, 9.378) [0.08343, 0.03035, 0.4617]\n", + " PeriodicSite: Li (11.76, 5.217, 2.848) [0.5787, 0.2568, 0.1402]\n", + " PeriodicSite: Li (13.3, 9.926, 13.52) [0.655, 0.4887, 0.6657]\n", + " PeriodicSite: Li (10.69, 13.52, 6.955) [0.5262, 0.6654, 0.3424]\n", + " PeriodicSite: Li (14.65, 18.6, 13.52) [0.7212, 0.9158, 0.6657]\n", + " PeriodicSite: Li (3.567, 6.855, 0.4107) [0.1756, 0.3375, 0.02022]\n", + " PeriodicSite: Li (3.597, 5.152, 12.49) [0.1771, 0.2536, 0.615]\n", + " PeriodicSite: Li (7.231, 16.97, 20.18) [0.356, 0.8356, 0.9933]\n", + " PeriodicSite: Li (4.663, 18.34, 14.23) [0.2296, 0.9028, 0.7007]\n", + " PeriodicSite: Li (14.67, 6.922, 1.161) [0.7221, 0.3408, 0.05718]\n", + " PeriodicSite: Li (10.48, 6.864, 12.92) [0.5158, 0.3379, 0.6363]\n", + " PeriodicSite: Li (13.13, 19.14, 4.479) [0.6464, 0.942, 0.2205]\n", + " PeriodicSite: Li (10.39, 16.68, 13.17) [0.5113, 0.8214, 0.6483]\n", + " PeriodicSite: Li (1.774, 10.0, 2.293) [0.08732, 0.4925, 0.1129]\n", + " PeriodicSite: Li (5.157, 7.169, 10.8) [0.2539, 0.353, 0.5316]\n", + " PeriodicSite: Li (4.697, 16.99, 1.594) [0.2312, 0.8366, 0.07848]\n", + " PeriodicSite: Li (3.011, 17.15, 9.78) [0.1482, 0.8442, 0.4815]\n", + " PeriodicSite: Li (12.26, 10.07, 1.09) [0.6033, 0.4956, 0.05365]\n", + " PeriodicSite: Li (12.5, 7.213, 15.0) [0.6156, 0.3551, 0.7386]\n", + " PeriodicSite: Li (12.1, 16.15, 3.639) [0.5959, 0.7949, 0.1792]\n", + " PeriodicSite: Li (13.47, 15.42, 12.13) [0.663, 0.759, 0.597]\n", + " PeriodicSite: Li (0.4603, 6.142, 2.621) [0.02266, 0.3024, 0.1291]\n", + " PeriodicSite: Li (17.39, 5.924, 9.119) [0.856, 0.2917, 0.449]\n", + " PeriodicSite: Li (1.929, 17.32, 4.683) [0.09496, 0.8527, 0.2306]\n", + " PeriodicSite: Li (0.1734, 18.18, 11.97) [0.008529, 0.8949, 0.5892]\n", + " PeriodicSite: Li (9.508, 7.231, 3.15) [0.4681, 0.356, 0.1551]\n", + " PeriodicSite: Li (15.06, 8.096, 13.62) [0.7416, 0.3986, 0.6704]\n", + " PeriodicSite: Li (12.68, 16.3, 0.7801) [0.6243, 0.8025, 0.03841]\n", + " PeriodicSite: Li (9.574, 13.54, 16.81) [0.4713, 0.6664, 0.8276]\n", + " PeriodicSite: Li (5.159, 8.481, 3.74) [0.254, 0.4175, 0.1841]\n", + " PeriodicSite: Li (19.94, 12.08, 11.63) [0.9814, 0.5945, 0.5723]\n", + " PeriodicSite: Li (0.166, 17.63, 2.605) [0.008164, 0.8682, 0.1283]\n", + " PeriodicSite: Li (2.695, 19.95, 12.72) [0.1327, 0.9821, 0.6264]\n", + " PeriodicSite: Li (16.28, 10.72, 2.98) [0.8013, 0.528, 0.1467]\n", + " PeriodicSite: Li (12.73, 6.536, 10.28) [0.6269, 0.3218, 0.5062]\n", + " PeriodicSite: Li (12.57, 19.6, 0.4784) [0.6187, 0.9648, 0.02356]\n", + " PeriodicSite: Li (13.24, 17.2, 10.23) [0.6517, 0.8466, 0.5037]\n", + " PeriodicSite: Li (3.373, 3.612, 0.8842) [0.166, 0.1778, 0.04353]\n", + " PeriodicSite: Li (4.622, 8.866, 13.72) [0.2276, 0.4365, 0.6754]\n", + " PeriodicSite: Li (4.385, 18.7, 3.616) [0.2159, 0.9206, 0.178]\n", + " PeriodicSite: Li (2.138, 15.51, 13.16) [0.1052, 0.7637, 0.6481]\n", + " PeriodicSite: Li (13.19, 9.441, 4.323) [0.6494, 0.4648, 0.2128]\n", + " PeriodicSite: Li (14.73, 5.815, 12.33) [0.7251, 0.2863, 0.6068]\n", + " PeriodicSite: Li (15.15, 17.25, 1.789) [0.7458, 0.8494, 0.08807]\n", + " PeriodicSite: Li (18.72, 3.505, 14.87) [0.9215, 0.1725, 0.7321]\n", + " PeriodicSite: Li (9.557, 3.146, 4.015) [0.4705, 0.1549, 0.1977]\n", + " PeriodicSite: Li (9.619, 3.088, 13.56) [0.4736, 0.152, 0.6675]\n", + " PeriodicSite: Li (6.277, 11.06, 3.472) [0.309, 0.5445, 0.1709]\n", + " PeriodicSite: Li (2.819, 10.94, 15.49) [0.1388, 0.5387, 0.7626]\n", + " PeriodicSite: Li (16.01, 1.98, 4.364) [0.7884, 0.09747, 0.2149]\n", + " PeriodicSite: Li (12.86, 3.594, 9.831) [0.6332, 0.1769, 0.484]\n", + " PeriodicSite: Li (18.43, 11.86, 20.15) [0.9075, 0.584, 0.9918]\n", + " PeriodicSite: Li (17.42, 10.16, 13.27) [0.8576, 0.5004, 0.6531]\n", + " PeriodicSite: Li (6.308, 17.98, 5.929) [0.3105, 0.8853, 0.2919]\n", + " PeriodicSite: Li (7.443, 2.023, 14.99) [0.3664, 0.09957, 0.7381]\n", + " PeriodicSite: Li (7.178, 13.59, 0.1365) [0.3534, 0.669, 0.006725]\n", + " PeriodicSite: Li (10.13, 13.54, 12.79) [0.4988, 0.6664, 0.6298]\n", + " PeriodicSite: Li (14.6, 20.16, 2.644) [0.7186, 0.9925, 0.1302]\n", + " PeriodicSite: Li (19.96, 1.981, 12.03) [0.9827, 0.0975, 0.5922]\n", + " PeriodicSite: Li (18.68, 14.84, 2.878) [0.9198, 0.7304, 0.1417]\n", + " PeriodicSite: Li (16.71, 14.83, 11.88) [0.8225, 0.7302, 0.5849]\n", + " PeriodicSite: Li (8.041, 5.997, 6.028) [0.3958, 0.2952, 0.2968]\n", + " PeriodicSite: Li (7.158, 20.16, 13.08) [0.3524, 0.9927, 0.6441]\n", + " PeriodicSite: Li (10.25, 13.02, 2.681) [0.5044, 0.6408, 0.132]\n", + " PeriodicSite: Li (5.532, 13.54, 12.13) [0.2723, 0.6666, 0.5973]\n", + " PeriodicSite: Li (19.36, 2.714, 4.321) [0.9531, 0.1336, 0.2127]\n", + " PeriodicSite: Li (19.41, 6.442, 13.19) [0.9556, 0.3172, 0.6491]\n", + " PeriodicSite: Li (15.79, 13.87, 1.84) [0.7776, 0.6828, 0.09061]\n", + " PeriodicSite: Li (15.6, 12.17, 13.46) [0.7678, 0.599, 0.6627]\n", + " PeriodicSite: Li (3.312, 0.1801, 6.859) [0.163, 0.008868, 0.3377]\n", + " PeriodicSite: Li (5.141, 2.053, 13.53) [0.2531, 0.1011, 0.666]\n", + " PeriodicSite: Li (5.235, 13.77, 2.192) [0.2577, 0.6778, 0.1079]\n", + " PeriodicSite: Li (7.695, 6.303, 15.55) [0.3788, 0.3103, 0.7655]\n", + " PeriodicSite: Li (17.36, 5.043, 2.304) [0.8547, 0.2483, 0.1134]\n", + " PeriodicSite: Li (17.29, 0.4692, 13.68) [0.8513, 0.02309, 0.6737]\n", + " PeriodicSite: Li (16.21, 13.89, 18.37) [0.798, 0.6838, 0.9042]\n", + " PeriodicSite: Li (17.69, 12.45, 10.04) [0.8711, 0.613, 0.4942]\n", + " PeriodicSite: Li (7.131, 3.271, 0.1911) [0.3511, 0.161, 0.00941]\n", + " PeriodicSite: Li (5.838, 2.632, 10.55) [0.2874, 0.1296, 0.5193]\n", + " PeriodicSite: Li (8.362, 10.42, 1.726) [0.4117, 0.513, 0.08499]\n", + " PeriodicSite: Li (8.505, 10.44, 12.36) [0.4187, 0.5141, 0.6084]\n", + " PeriodicSite: Li (15.01, 2.962, 1.59) [0.7389, 0.1458, 0.07827]\n", + " PeriodicSite: Li (16.29, 3.333, 10.15) [0.8021, 0.1641, 0.4999]\n", + " PeriodicSite: Li (1.746, 9.937, 18.99) [0.08598, 0.4892, 0.9348]\n", + " PeriodicSite: Li (19.1, 13.3, 14.25) [0.9404, 0.6547, 0.7017]\n", + " PeriodicSite: Li (8.337, 0.3154, 1.669) [0.4104, 0.01552, 0.08218]\n", + " PeriodicSite: Li (8.822, 1.726, 10.67) [0.4343, 0.08495, 0.5254]\n", + " PeriodicSite: Li (7.803, 13.3, 5.025) [0.3841, 0.6547, 0.2474]\n", + " PeriodicSite: Li (4.923, 16.49, 12.07) [0.2423, 0.8119, 0.5943]\n", + " PeriodicSite: Li (17.37, 3.153, 0.02901) [0.855, 0.1552, 0.001433]\n", + " PeriodicSite: Li (2.15, 7.403, 14.93) [0.1058, 0.3645, 0.7348]\n", + " PeriodicSite: Li (4.657, 14.12, 8.233) [0.2293, 0.695, 0.4053]\n", + " PeriodicSite: Li (14.61, 13.02, 9.991) [0.7193, 0.641, 0.4919]\n", + " PeriodicSite: Li (13.82, 10.54, 6.99) [0.6805, 0.5187, 0.3441]\n", + " PeriodicSite: Li (5.239, 8.195, 17.05) [0.2579, 0.4034, 0.8395]\n", + " PeriodicSite: Li (7.457, 13.65, 10.67) [0.3671, 0.6722, 0.5255]\n", + " PeriodicSite: Li (5.268, 15.09, 18.31) [0.2593, 0.7428, 0.9014]\n", + " PeriodicSite: Li (17.07, 10.05, 7.162) [0.8401, 0.4947, 0.3526]\n", + " PeriodicSite: Li (2.867, 4.857, 18.57) [0.1411, 0.2391, 0.9141]\n", + " PeriodicSite: Li (18.0, 18.01, 5.509) [0.886, 0.8869, 0.2712]\n", + " PeriodicSite: Li (19.72, 18.17, 19.25) [0.9711, 0.8946, 0.9475]\n", + " PeriodicSite: Li (7.373, 9.795, 5.772) [0.363, 0.4822, 0.2842]\n", + " PeriodicSite: Li (9.596, 5.599, 17.3) [0.4724, 0.2756, 0.8518]\n", + " PeriodicSite: Li (8.034, 19.95, 7.775) [0.3955, 0.9819, 0.3828]\n", + " PeriodicSite: Li (7.796, 17.61, 15.84) [0.3838, 0.867, 0.7798]\n", + " PeriodicSite: Li (18.54, 8.491, 9.562) [0.9127, 0.418, 0.4707]\n", + " PeriodicSite: Li (17.11, 5.898, 18.74) [0.8425, 0.2904, 0.9226]\n", + " PeriodicSite: Li (18.0, 20.26, 8.171) [0.8859, 0.9973, 0.4023]\n", + " PeriodicSite: Li (18.05, 16.47, 15.3) [0.8884, 0.811, 0.7533]\n", + " PeriodicSite: Li (6.698, 5.179, 8.834) [0.3298, 0.255, 0.4349]\n", + " PeriodicSite: Li (6.288, 5.795, 18.35) [0.3096, 0.2853, 0.9035]\n", + " PeriodicSite: Li (9.628, 18.01, 8.938) [0.474, 0.8865, 0.44]\n", + " PeriodicSite: Li (12.3, 13.35, 15.67) [0.6054, 0.6571, 0.7717]\n", + " PeriodicSite: Li (20.02, 7.035, 7.026) [0.9857, 0.3463, 0.3459]\n", + " PeriodicSite: Li (20.29, 6.762, 17.12) [0.9991, 0.3329, 0.8428]\n", + " PeriodicSite: Li (16.86, 17.62, 10.31) [0.8298, 0.8675, 0.5076]\n", + " PeriodicSite: Li (17.08, 16.54, 19.83) [0.8411, 0.8141, 0.9761]\n", + " PeriodicSite: Li (8.487, 8.222, 9.946) [0.4178, 0.4048, 0.4896]\n", + " PeriodicSite: Li (6.113, 5.057, 1.879) [0.3009, 0.249, 0.09252]\n", + " PeriodicSite: Li (6.257, 17.3, 9.341) [0.308, 0.8517, 0.4599]\n", + " PeriodicSite: Li (7.561, 15.41, 2.883) [0.3722, 0.7584, 0.1419]\n", + " PeriodicSite: Li (15.24, 7.219, 7.883) [0.7505, 0.3554, 0.3881]\n", + " PeriodicSite: Li (18.67, 8.567, 19.7) [0.9191, 0.4217, 0.9699]\n", + " PeriodicSite: Li (15.33, 18.47, 7.247) [0.7546, 0.9095, 0.3568]\n", + " PeriodicSite: Li (15.41, 18.11, 16.62) [0.7585, 0.8914, 0.8183]\n", + " PeriodicSite: Li (6.904, 4.568, 12.42) [0.3399, 0.2249, 0.6115]\n", + " PeriodicSite: Li (7.737, 9.555, 18.7) [0.3809, 0.4704, 0.9206]\n", + " PeriodicSite: Li (9.726, 17.4, 6.073) [0.4788, 0.8568, 0.299]\n", + " PeriodicSite: Li (10.5, 18.12, 1.787) [0.5172, 0.8919, 0.08798]\n", + " PeriodicSite: Li (16.56, 8.409, 5.142) [0.8151, 0.414, 0.2531]\n", + " PeriodicSite: Li (13.85, 6.26, 18.65) [0.6819, 0.3082, 0.9182]\n", + " PeriodicSite: Li (19.93, 18.32, 8.297) [0.9811, 0.902, 0.4085]\n", + " PeriodicSite: Li (18.39, 0.7393, 2.054) [0.9051, 0.03639, 0.1011]\n", + " PeriodicSite: Li (3.028, 8.541, 5.287) [0.1491, 0.4205, 0.2603]\n", + " PeriodicSite: Li (9.576, 7.598, 19.33) [0.4714, 0.3741, 0.9518]\n", + " PeriodicSite: Li (7.467, 15.26, 8.345) [0.3676, 0.7512, 0.4108]\n", + " PeriodicSite: Li (6.363, 19.96, 17.4) [0.3132, 0.9825, 0.8566]\n", + " PeriodicSite: Li (17.35, 5.655, 5.732) [0.8541, 0.2784, 0.2822]\n", + " PeriodicSite: Li (16.79, 11.78, 15.93) [0.8267, 0.5798, 0.7842]\n", + " PeriodicSite: Li (1.822, 15.51, 2.904) [0.08968, 0.7637, 0.143]\n", + " PeriodicSite: Li (15.25, 1.838, 13.95) [0.7509, 0.09046, 0.6867]\n", + " PeriodicSite: Cl (7.793, 12.54, 12.69) [0.3836, 0.6175, 0.6249]\n", + " PeriodicSite: Cl (2.73, 12.46, 18.12) [0.1344, 0.6135, 0.8919]\n", + " PeriodicSite: Cl (12.72, 17.45, 12.45) [0.6262, 0.8591, 0.613]\n", + " PeriodicSite: Cl (18.2, 8.109, 17.74) [0.8959, 0.3992, 0.8736]\n", + " PeriodicSite: Cl (7.528, 2.483, 2.71) [0.3706, 0.1222, 0.1334]\n", + " PeriodicSite: Cl (7.539, 7.483, 7.586) [0.3712, 0.3684, 0.3735]\n", + " PeriodicSite: Cl (12.94, 12.79, 7.336) [0.6369, 0.6298, 0.3612]\n", + " PeriodicSite: Cl (2.527, 7.845, 2.88) [0.1244, 0.3862, 0.1418]\n", + " PeriodicSite: Cl (2.903, 7.283, 12.84) [0.1429, 0.3586, 0.6319]\n", + " PeriodicSite: Cl (12.05, 12.47, 17.96) [0.5931, 0.6141, 0.8844]\n", + " PeriodicSite: Cl (17.45, 17.39, 17.72) [0.8593, 0.8561, 0.8725]\n", + " PeriodicSite: Cl (2.1, 1.91, 7.738) [0.1034, 0.09401, 0.381]\n", + " PeriodicSite: Cl (12.77, 2.591, 17.62) [0.6285, 0.1276, 0.8675]\n", + " PeriodicSite: Cl (12.35, 7.702, 2.431) [0.6082, 0.3791, 0.1197]\n", + " PeriodicSite: Cl (17.84, 2.513, 12.94) [0.8783, 0.1237, 0.6368]\n", + " PeriodicSite: Cl (7.662, 18.09, 18.08) [0.3772, 0.8907, 0.89]\n", + " PeriodicSite: Cl (0.2406, 0.1876, 20.23) [0.01185, 0.009236, 0.9958]\n", + " PeriodicSite: Cl (19.93, 19.84, 9.976) [0.981, 0.9767, 0.4911]\n", + " PeriodicSite: Cl (20.04, 10.18, 0.3553) [0.9864, 0.5013, 0.0175]\n", + " PeriodicSite: Cl (20.02, 10.49, 10.07) [0.9854, 0.5164, 0.4959]\n", + " PeriodicSite: Cl (10.2, 20.11, 0.1527) [0.5023, 0.9901, 0.007524]\n", + " PeriodicSite: Cl (9.936, 0.03131, 9.518) [0.4892, 0.001537, 0.4686]\n", + " PeriodicSite: Cl (9.945, 9.904, 0.1257) [0.4896, 0.4876, 0.006191]\n", + " PeriodicSite: Cl (9.952, 9.846, 10.47) [0.4899, 0.4847, 0.5155]\n", + " PeriodicSite: Cl (19.53, 5.191, 4.862) [0.9616, 0.2556, 0.2394]\n", + " PeriodicSite: Cl (0.5545, 5.311, 14.99) [0.0273, 0.2615, 0.7379]\n", + " PeriodicSite: Cl (0.4191, 15.75, 4.874) [0.02062, 0.7753, 0.24]\n", + " PeriodicSite: Cl (0.3108, 15.31, 15.0) [0.0153, 0.7535, 0.7383]\n", + " PeriodicSite: Cl (10.2, 5.095, 4.964) [0.5022, 0.2508, 0.2444]\n", + " PeriodicSite: Cl (10.18, 5.296, 15.18) [0.5014, 0.2607, 0.7472]\n", + " PeriodicSite: Cl (10.38, 15.23, 4.666) [0.511, 0.75, 0.2297]\n", + " PeriodicSite: Cl (10.67, 14.81, 14.86) [0.5253, 0.729, 0.7318]\n", + " PeriodicSite: S (4.977, 0.02948, 5.199) [0.245, 0.001449, 0.256]\n", + " PeriodicSite: S (5.207, 0.1797, 14.97) [0.2564, 0.008848, 0.7368]\n", + " PeriodicSite: S (4.96, 9.976, 5.616) [0.2442, 0.4911, 0.2765]\n", + " PeriodicSite: S (5.069, 10.17, 15.8) [0.2496, 0.5008, 0.778]\n", + " PeriodicSite: S (14.81, 0.1119, 4.924) [0.7289, 0.005504, 0.2424]\n", + " PeriodicSite: S (15.39, 20.22, 15.17) [0.7576, 0.9952, 0.747]\n", + " PeriodicSite: S (15.28, 10.58, 5.285) [0.7522, 0.521, 0.2602]\n", + " PeriodicSite: S (15.5, 10.09, 14.64) [0.7629, 0.4967, 0.7208]\n", + " PeriodicSite: S (5.052, 4.865, 20.12) [0.2487, 0.2395, 0.9904]\n", + " PeriodicSite: S (5.053, 4.783, 10.57) [0.2488, 0.2355, 0.5205]\n", + " PeriodicSite: S (5.026, 15.21, 0.2775) [0.2474, 0.7488, 0.01366]\n", + " PeriodicSite: S (5.173, 14.96, 10.11) [0.2547, 0.7363, 0.4976]\n", + " PeriodicSite: S (15.01, 5.008, 20.15) [0.7392, 0.2466, 0.9922]\n", + " PeriodicSite: S (14.81, 5.081, 9.588) [0.7289, 0.2501, 0.4721]\n", + " PeriodicSite: S (15.22, 15.37, 0.0137) [0.7495, 0.7568, 0.0006797]\n", + " PeriodicSite: S (15.14, 15.42, 10.07) [0.7454, 0.7591, 0.4958]\n", + " PeriodicSite: S (8.895, 3.59, 8.999) [0.4379, 0.1767, 0.443]\n", + " PeriodicSite: S (8.719, 3.997, 19.05) [0.4292, 0.1968, 0.938]\n", + " PeriodicSite: S (9.225, 13.74, 8.827) [0.4542, 0.6766, 0.4346]\n", + " PeriodicSite: S (8.924, 14.16, 19.16) [0.4393, 0.6971, 0.9431]\n", + " PeriodicSite: S (18.64, 3.559, 9.071) [0.9178, 0.1752, 0.4466]\n", + " PeriodicSite: S (19.29, 4.369, 18.79) [0.9498, 0.2151, 0.9253]\n", + " PeriodicSite: S (18.76, 14.01, 8.822) [0.9237, 0.6899, 0.4343]\n", + " PeriodicSite: S (18.85, 13.92, 19.31) [0.9279, 0.6854, 0.9509]\n", + " PeriodicSite: S (3.738, 1.269, 1.63) [0.184, 0.06245, 0.08024]\n", + " PeriodicSite: S (3.951, 1.176, 11.04) [0.1945, 0.05791, 0.5434]\n", + " PeriodicSite: S (3.828, 11.51, 1.648) [0.1885, 0.5667, 0.08115]\n", + " PeriodicSite: S (4.467, 11.55, 11.79) [0.2199, 0.5685, 0.5804]\n", + " PeriodicSite: S (13.78, 1.285, 0.9661) [0.6784, 0.06327, 0.04757]\n", + " PeriodicSite: S (13.86, 1.593, 11.47) [0.6824, 0.07842, 0.5646]\n", + " PeriodicSite: S (14.18, 11.72, 1.21) [0.6981, 0.5771, 0.05959]\n", + " PeriodicSite: S (14.16, 11.3, 11.59) [0.6971, 0.5561, 0.5706]\n", + " PeriodicSite: S (6.163, 0.9846, 8.546) [0.3034, 0.04847, 0.4207]\n", + " PeriodicSite: S (6.155, 1.098, 19.31) [0.303, 0.05406, 0.9505]\n", + " PeriodicSite: S (6.846, 11.54, 9.46) [0.337, 0.568, 0.4657]\n", + " PeriodicSite: S (6.257, 11.55, 19.56) [0.308, 0.5687, 0.9629]\n", + " PeriodicSite: S (16.38, 1.145, 9.176) [0.8064, 0.05635, 0.4517]\n", + " PeriodicSite: S (16.44, 1.463, 18.91) [0.8093, 0.07204, 0.9307]\n", + " PeriodicSite: S (15.91, 11.44, 8.741) [0.7832, 0.5632, 0.4303]\n", + " PeriodicSite: S (15.85, 11.35, 18.7) [0.7803, 0.5587, 0.9205]\n", + " PeriodicSite: S (0.8908, 4.197, 1.209) [0.04385, 0.2066, 0.05954]\n", + " PeriodicSite: S (0.9682, 3.77, 11.26) [0.04767, 0.1856, 0.5542]\n", + " PeriodicSite: S (1.051, 14.13, 1.136) [0.05174, 0.6955, 0.05593]\n", + " PeriodicSite: S (1.194, 14.16, 11.13) [0.05877, 0.6972, 0.548]\n", + " PeriodicSite: S (10.75, 3.91, 1.396) [0.5291, 0.1925, 0.06871]\n", + " PeriodicSite: S (11.18, 4.016, 11.48) [0.5505, 0.1977, 0.565]\n", + " PeriodicSite: S (11.48, 14.42, 1.322) [0.5653, 0.7098, 0.06507]\n", + " PeriodicSite: S (11.74, 13.81, 11.11) [0.5779, 0.6798, 0.5471]\n", + " PeriodicSite: S (2.605, 2.376, 17.66) [0.1282, 0.117, 0.8693]\n", + " PeriodicSite: S (2.669, 12.68, 7.905) [0.1314, 0.624, 0.3892]\n", + " PeriodicSite: S (12.63, 2.573, 7.638) [0.6216, 0.1267, 0.376]\n", + " PeriodicSite: S (8.849, 9.326, 3.86) [0.4356, 0.4591, 0.1901]\n", + " PeriodicSite: S (9.136, 8.895, 14.23) [0.4498, 0.4379, 0.7007]\n", + " PeriodicSite: S (8.882, 18.97, 3.951) [0.4373, 0.9341, 0.1945]\n", + " PeriodicSite: S (9.094, 18.77, 14.09) [0.4477, 0.9239, 0.6938]\n", + " PeriodicSite: S (19.2, 8.936, 4.33) [0.9454, 0.4399, 0.2132]\n", + " PeriodicSite: S (19.04, 8.668, 14.11) [0.9372, 0.4267, 0.6945]\n", + " PeriodicSite: S (18.98, 19.15, 3.881) [0.9346, 0.9429, 0.1911]\n", + " PeriodicSite: S (19.21, 19.16, 14.04) [0.9458, 0.9432, 0.6911]\n", + " PeriodicSite: S (3.639, 6.412, 6.354) [0.1792, 0.3157, 0.3128]\n", + " PeriodicSite: S (3.825, 6.032, 16.7) [0.1883, 0.297, 0.822]\n", + " PeriodicSite: S (3.911, 16.76, 6.42) [0.1925, 0.8249, 0.3161]\n", + " PeriodicSite: S (4.007, 16.4, 16.5) [0.1972, 0.8073, 0.8126]\n", + " PeriodicSite: S (13.62, 6.303, 6.154) [0.6704, 0.3103, 0.303]\n", + " PeriodicSite: S (14.21, 6.228, 16.55) [0.6996, 0.3066, 0.8146]\n", + " PeriodicSite: S (13.92, 16.88, 6.011) [0.6855, 0.8309, 0.296]\n", + " PeriodicSite: S (13.88, 16.09, 16.24) [0.6834, 0.7921, 0.7995]\n", + " PeriodicSite: S (6.215, 6.349, 4.058) [0.306, 0.3126, 0.1998]\n", + " PeriodicSite: S (5.93, 6.124, 13.99) [0.2919, 0.3015, 0.6888]\n", + " PeriodicSite: S (6.043, 16.66, 4.006) [0.2975, 0.8202, 0.1972]\n", + " PeriodicSite: S (6.388, 16.53, 14.02) [0.3145, 0.8139, 0.6904]\n", + " PeriodicSite: S (16.04, 6.457, 3.918) [0.7898, 0.3179, 0.1929]\n", + " PeriodicSite: S (16.7, 6.121, 14.0) [0.8224, 0.3014, 0.6894]\n", + " PeriodicSite: S (16.62, 16.52, 3.805) [0.8182, 0.8131, 0.1873]\n", + " PeriodicSite: S (16.28, 16.43, 14.0) [0.8012, 0.8088, 0.6893]\n", + " PeriodicSite: S (0.9564, 8.741, 6.762) [0.04708, 0.4303, 0.3329]\n", + " PeriodicSite: S (1.259, 9.153, 16.39) [0.06197, 0.4506, 0.8067]\n", + " PeriodicSite: S (1.264, 19.17, 6.379) [0.06224, 0.9439, 0.314]\n", + " PeriodicSite: S (1.556, 19.27, 16.13) [0.0766, 0.9488, 0.794]\n", + " PeriodicSite: S (11.45, 9.128, 6.022) [0.5635, 0.4494, 0.2965]\n", + " PeriodicSite: S (11.53, 8.936, 16.33) [0.5679, 0.4399, 0.8042]\n", + " PeriodicSite: S (11.04, 19.44, 6.359) [0.5434, 0.9569, 0.3131]\n", + " PeriodicSite: S (11.61, 19.39, 16.47) [0.5714, 0.9548, 0.8107]\n", + " PeriodicSite: S (2.543, 17.77, 2.334) [0.1252, 0.8746, 0.1149]\n", + " PeriodicSite: S (2.521, 17.64, 12.57) [0.1241, 0.8684, 0.6187]\n", + " PeriodicSite: S (12.86, 7.443, 12.72) [0.6333, 0.3664, 0.6263]\n", + " PeriodicSite: S (12.87, 18.02, 2.417) [0.6338, 0.8871, 0.119]\n", + " PeriodicSite: S (3.761, 3.977, 4.325) [0.1851, 0.1958, 0.2129]\n", + " PeriodicSite: S (3.499, 3.875, 14.35) [0.1723, 0.1908, 0.7064]\n", + " PeriodicSite: S (3.871, 14.25, 4.223) [0.1905, 0.7018, 0.2079]\n", + " PeriodicSite: S (4.26, 14.11, 14.18) [0.2097, 0.6948, 0.6983]\n", + " PeriodicSite: S (13.65, 3.893, 3.75) [0.6719, 0.1917, 0.1846]\n", + " PeriodicSite: S (14.36, 3.976, 14.16) [0.7069, 0.1957, 0.6973]\n", + " PeriodicSite: S (14.17, 14.37, 3.775) [0.6977, 0.7074, 0.1859]\n", + " PeriodicSite: S (14.07, 13.7, 14.05) [0.6929, 0.6743, 0.6916]\n", + " PeriodicSite: S (8.646, 1.277, 5.979) [0.4257, 0.06288, 0.2944]\n", + " PeriodicSite: S (9.096, 1.265, 16.35) [0.4478, 0.06227, 0.805]\n", + " PeriodicSite: S (9.036, 11.46, 6.278) [0.4448, 0.5643, 0.3091]\n", + " PeriodicSite: S (8.906, 10.99, 16.55) [0.4385, 0.5412, 0.8148]\n", + " PeriodicSite: S (18.99, 1.251, 6.139) [0.9349, 0.06157, 0.3022]\n", + " PeriodicSite: S (19.35, 1.3, 16.59) [0.9528, 0.06399, 0.8166]\n", + " PeriodicSite: S (18.98, 11.39, 6.607) [0.9343, 0.5606, 0.3253]\n", + " PeriodicSite: S (19.1, 11.43, 15.97) [0.9405, 0.5626, 0.7865]\n", + " PeriodicSite: S (1.021, 1.244, 3.847) [0.05028, 0.06127, 0.1894]\n", + " PeriodicSite: S (1.087, 1.373, 14.01) [0.05353, 0.0676, 0.6899]\n", + " PeriodicSite: S (1.394, 11.02, 4.461) [0.06865, 0.5423, 0.2196]\n", + " PeriodicSite: S (1.163, 11.28, 13.93) [0.05726, 0.5554, 0.686]\n", + " PeriodicSite: S (11.12, 1.101, 3.665) [0.5476, 0.05418, 0.1804]\n", + " PeriodicSite: S (11.09, 1.057, 13.77) [0.5458, 0.05205, 0.678]\n", + " PeriodicSite: S (11.57, 11.47, 3.778) [0.5697, 0.5648, 0.186]\n", + " PeriodicSite: S (11.47, 11.48, 14.23) [0.5648, 0.5652, 0.7005]\n", + " PeriodicSite: S (6.267, 4.256, 6.585) [0.3086, 0.2095, 0.3242]\n", + " PeriodicSite: S (6.492, 4.077, 16.46) [0.3196, 0.2007, 0.8102]\n", + " PeriodicSite: S (6.118, 14.17, 6.476) [0.3012, 0.6974, 0.3188]\n", + " PeriodicSite: S (6.619, 14.25, 16.53) [0.3259, 0.7016, 0.8139]\n", + " PeriodicSite: S (16.14, 3.949, 6.229) [0.7945, 0.1944, 0.3067]\n", + " PeriodicSite: S (16.87, 3.928, 16.53) [0.8306, 0.1934, 0.814]\n", + " PeriodicSite: S (16.19, 14.38, 6.226) [0.7971, 0.7078, 0.3065]\n", + " PeriodicSite: S (16.78, 13.98, 16.06) [0.826, 0.6885, 0.7909]\n", + " PeriodicSite: S (7.538, 2.05, 12.64) [0.3711, 0.1009, 0.6224]\n", + " PeriodicSite: S (7.662, 13.02, 2.725) [0.3772, 0.6408, 0.1342]\n", + " PeriodicSite: S (17.33, 2.819, 2.465) [0.8534, 0.1388, 0.1214]\n", + " PeriodicSite: S (17.63, 12.64, 2.619) [0.8682, 0.6225, 0.129]\n", + " PeriodicSite: S (17.66, 12.57, 12.45) [0.8694, 0.6188, 0.6131]\n", + " PeriodicSite: S (4.339, 9.206, 9.36) [0.2136, 0.4532, 0.4608]\n", + " PeriodicSite: S (4.149, 8.975, 19.48) [0.2043, 0.4418, 0.9589]\n", + " PeriodicSite: S (3.784, 19.02, 8.594) [0.1863, 0.9365, 0.4231]\n", + " PeriodicSite: S (3.755, 19.04, 19.61) [0.1849, 0.9373, 0.9653]\n", + " PeriodicSite: S (13.69, 8.929, 9.106) [0.674, 0.4396, 0.4483]\n", + " PeriodicSite: S (13.5, 9.326, 19.4) [0.6647, 0.4591, 0.9553]\n", + " PeriodicSite: S (14.02, 19.47, 8.956) [0.6903, 0.9584, 0.4409]\n", + " PeriodicSite: S (13.99, 19.46, 18.83) [0.6887, 0.9582, 0.9268]\n", + " PeriodicSite: S (8.595, 6.474, 0.8272) [0.4231, 0.3187, 0.04073]\n", + " PeriodicSite: S (8.644, 6.155, 11.42) [0.4256, 0.303, 0.5622]\n", + " PeriodicSite: S (8.752, 16.37, 1.206) [0.4309, 0.806, 0.05936]\n", + " PeriodicSite: S (8.975, 15.85, 11.05) [0.4418, 0.7804, 0.5442]\n", + " PeriodicSite: S (18.91, 6.491, 1.017) [0.9309, 0.3196, 0.05008]\n", + " PeriodicSite: S (19.34, 6.479, 10.72) [0.9523, 0.319, 0.5276]\n", + " PeriodicSite: S (19.12, 16.6, 0.9658) [0.9412, 0.8173, 0.04755]\n", + " PeriodicSite: S (19.06, 16.29, 11.43) [0.9381, 0.8018, 0.5626]\n", + " PeriodicSite: S (1.13, 5.236, 8.307) [0.05562, 0.2578, 0.4089]\n", + " PeriodicSite: S (1.428, 6.598, 19.32) [0.07029, 0.3248, 0.9514]\n", + " PeriodicSite: S (1.002, 16.49, 8.825) [0.04934, 0.8116, 0.4345]\n", + " PeriodicSite: S (0.9221, 16.26, 18.61) [0.0454, 0.8003, 0.9162]\n", + " PeriodicSite: S (10.93, 6.327, 9.048) [0.538, 0.3115, 0.4454]\n", + " PeriodicSite: S (11.18, 6.031, 19.08) [0.5502, 0.2969, 0.9393]\n", + " PeriodicSite: S (11.47, 16.2, 8.715) [0.5646, 0.7977, 0.4291]\n", + " PeriodicSite: S (11.23, 16.41, 19.26) [0.553, 0.808, 0.948]\n", + " PeriodicSite: S (6.182, 9.288, 1.675) [0.3044, 0.4573, 0.08246]\n", + " PeriodicSite: S (6.558, 8.919, 11.74) [0.3229, 0.4391, 0.5782]\n", + " PeriodicSite: S (6.127, 19.15, 1.409) [0.3016, 0.9428, 0.06936]\n", + " PeriodicSite: S (6.116, 18.9, 10.95) [0.3011, 0.9305, 0.539]\n", + " PeriodicSite: S (16.33, 9.267, 1.018) [0.8039, 0.4562, 0.05011]\n", + " PeriodicSite: S (16.39, 9.024, 10.92) [0.8069, 0.4442, 0.5376]\n", + " PeriodicSite: S (16.4, 19.44, 0.9558) [0.8073, 0.9572, 0.04706]\n", + " PeriodicSite: S (16.16, 19.47, 11.83) [0.7955, 0.9585, 0.5822]\n", + " PeriodicSite: S (7.547, 7.662, 17.59) [0.3716, 0.3772, 0.8658]\n", + " PeriodicSite: S (7.83, 17.4, 7.617) [0.3855, 0.8565, 0.375]\n", + " PeriodicSite: S (17.57, 7.648, 7.372) [0.8651, 0.3765, 0.3629]\n", + " PeriodicSite: S (17.55, 18.04, 7.801) [0.8641, 0.8882, 0.384]\n", + " PeriodicSite: P (4.901, 0.04609, 0.3574) [0.2413, 0.002267, 0.0176]\n", + " PeriodicSite: P (5.0, 20.18, 9.741) [0.2461, 0.9937, 0.4796]\n", + " PeriodicSite: P (5.051, 10.41, 0.4036) [0.2487, 0.5124, 0.01987]\n", + " PeriodicSite: P (5.626, 10.4, 10.62) [0.277, 0.5118, 0.5229]\n", + " PeriodicSite: P (15.13, 0.2334, 20.11) [0.7451, 0.01149, 0.9898]\n", + " PeriodicSite: P (15.04, 0.1978, 10.46) [0.7402, 0.009731, 0.5151]\n", + " PeriodicSite: P (15.05, 10.36, 20.26) [0.741, 0.51, 0.9976]\n", + " PeriodicSite: P (15.0, 10.1, 10.08) [0.7384, 0.4971, 0.4961]\n", + " PeriodicSite: P (5.016, 5.326, 5.35) [0.2469, 0.2622, 0.2634]\n", + " PeriodicSite: P (4.959, 4.866, 15.37) [0.2441, 0.2395, 0.7567]\n", + " PeriodicSite: P (4.968, 15.34, 5.309) [0.2446, 0.7551, 0.2614]\n", + " PeriodicSite: P (5.295, 15.37, 15.35) [0.2607, 0.7564, 0.7559]\n", + " PeriodicSite: P (14.86, 5.143, 4.954) [0.7317, 0.2532, 0.2439]\n", + " PeriodicSite: P (15.62, 5.042, 15.39) [0.7689, 0.2482, 0.7578]\n", + " PeriodicSite: P (15.29, 15.7, 5.016) [0.7528, 0.7728, 0.2469]\n", + " PeriodicSite: P (15.14, 15.02, 15.16) [0.7455, 0.7393, 0.7465]\n", + " PeriodicSite: P (20.27, 20.27, 5.156) [0.9978, 0.998, 0.2538]\n", + " PeriodicSite: P (0.08924, 0.02973, 15.23) [0.004398, 0.001465, 0.7498]\n", + " PeriodicSite: P (20.31, 10.08, 5.578) [0.9999, 0.4962, 0.2746]\n", + " PeriodicSite: P (0.05682, 10.06, 15.04) [0.002797, 0.4952, 0.7405]\n", + " PeriodicSite: P (10.03, 0.02492, 4.942) [0.4936, 0.001222, 0.2433]\n", + " PeriodicSite: P (10.25, 20.26, 15.2) [0.5045, 0.9975, 0.7483]\n", + " PeriodicSite: P (10.32, 10.3, 4.97) [0.5082, 0.5072, 0.2447]\n", + " PeriodicSite: P (10.44, 10.18, 15.24) [0.514, 0.5013, 0.7501]\n", + " PeriodicSite: P (20.27, 5.311, 20.22) [0.9979, 0.2614, 0.9955]\n", + " PeriodicSite: P (20.08, 4.688, 9.883) [0.9886, 0.2308, 0.4866]\n", + " PeriodicSite: P (20.29, 15.25, 20.11) [0.9991, 0.7506, 0.9903]\n", + " PeriodicSite: P (20.14, 15.23, 10.06) [0.9915, 0.7496, 0.4955]\n", + " PeriodicSite: P (9.88, 5.107, 20.28) [0.4864, 0.2514, 0.9985]\n", + " PeriodicSite: P (9.908, 4.95, 10.2) [0.4878, 0.2437, 0.502]\n", + " PeriodicSite: P (10.1, 15.24, 0.09711) [0.4972, 0.7504, 0.004785]\n", + " PeriodicSite: P (10.51, 14.94, 10.0) [0.5176, 0.7358, 0.4923],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.042, 4.963, 5.579) [0.1005, 0.2443, 0.2747]\n", + " PeriodicSite: Li (2.084, 4.102, 16.15) [0.1026, 0.2019, 0.7949]\n", + " PeriodicSite: Li (0.434, 12.4, 8.247) [0.02136, 0.6102, 0.406]\n", + " PeriodicSite: Li (0.591, 14.4, 17.51) [0.02909, 0.7091, 0.8623]\n", + " PeriodicSite: Li (13.57, 0.7492, 7.239) [0.6682, 0.03688, 0.3564]\n", + " PeriodicSite: Li (12.49, 3.034, 15.37) [0.6151, 0.1494, 0.7566]\n", + " PeriodicSite: Li (18.11, 13.01, 4.951) [0.8914, 0.6407, 0.2437]\n", + " PeriodicSite: Li (17.17, 7.879, 15.59) [0.8455, 0.3879, 0.7676]\n", + " PeriodicSite: Li (3.415, 3.199, 9.721) [0.1681, 0.1575, 0.4786]\n", + " PeriodicSite: Li (2.215, 0.1685, 18.32) [0.109, 0.008294, 0.902]\n", + " PeriodicSite: Li (5.306, 8.401, 7.2) [0.2612, 0.4136, 0.3544]\n", + " PeriodicSite: Li (7.241, 8.945, 15.53) [0.3565, 0.4404, 0.7647]\n", + " PeriodicSite: Li (11.08, 4.912, 6.985) [0.5453, 0.2418, 0.3439]\n", + " PeriodicSite: Li (13.07, 3.569, 0.0145) [0.6435, 0.1757, 0.0007177]\n", + " PeriodicSite: Li (12.18, 9.55, 11.46) [0.5997, 0.4702, 0.5642]\n", + " PeriodicSite: Li (10.34, 18.54, 18.6) [0.5092, 0.9128, 0.9156]\n", + " PeriodicSite: Li (5.796, 1.789, 6.53) [0.2854, 0.08807, 0.3215]\n", + " PeriodicSite: Li (3.432, 1.285, 15.94) [0.169, 0.06326, 0.7849]\n", + " PeriodicSite: Li (4.825, 11.38, 7.82) [0.2375, 0.5601, 0.385]\n", + " PeriodicSite: Li (6.327, 12.29, 14.95) [0.3115, 0.605, 0.7358]\n", + " PeriodicSite: Li (11.98, 0.3844, 9.434) [0.5898, 0.01892, 0.4644]\n", + " PeriodicSite: Li (10.26, 1.386, 18.21) [0.505, 0.06823, 0.8966]\n", + " PeriodicSite: Li (13.75, 15.3, 8.364) [0.677, 0.7533, 0.4118]\n", + " PeriodicSite: Li (11.61, 10.71, 18.4) [0.5716, 0.5273, 0.9058]\n", + " PeriodicSite: Li (0.2722, 3.101, 7.962) [0.0134, 0.1527, 0.392]\n", + " PeriodicSite: Li (0.03761, 1.97, 18.48) [0.001856, 0.09701, 0.9096]\n", + " PeriodicSite: Li (0.8877, 14.51, 7.091) [0.0437, 0.7142, 0.3491]\n", + " PeriodicSite: Li (3.309, 13.23, 20.1) [0.1629, 0.6514, 0.9896]\n", + " PeriodicSite: Li (13.01, 2.528, 4.821) [0.6405, 0.1245, 0.2374]\n", + " PeriodicSite: Li (14.07, 0.7065, 17.07) [0.6925, 0.03477, 0.8403]\n", + " PeriodicSite: Li (10.61, 11.52, 8.637) [0.5224, 0.5673, 0.4252]\n", + " PeriodicSite: Li (13.91, 16.69, 19.24) [0.6847, 0.8215, 0.9474]\n", + " PeriodicSite: Li (6.852, 0.5569, 3.731) [0.3374, 0.02742, 0.1837]\n", + " PeriodicSite: Li (2.062, 19.67, 1.335) [0.1015, 0.9682, 0.06574]\n", + " PeriodicSite: Li (3.475, 13.18, 10.29) [0.1711, 0.6486, 0.5065]\n", + " PeriodicSite: Li (1.802, 17.17, 15.31) [0.08873, 0.8455, 0.7535]\n", + " PeriodicSite: Li (14.61, 4.128, 7.837) [0.7194, 0.2032, 0.3859]\n", + " PeriodicSite: Li (14.97, 3.834, 18.24) [0.737, 0.1887, 0.8981]\n", + " PeriodicSite: Li (16.88, 15.38, 8.176) [0.8313, 0.757, 0.4025]\n", + " PeriodicSite: Li (13.52, 13.61, 19.87) [0.6655, 0.6699, 0.9784]\n", + " PeriodicSite: Li (3.628, 1.539, 4.046) [0.1786, 0.07575, 0.1992]\n", + " PeriodicSite: Li (4.632, 2.935, 18.18) [0.228, 0.1445, 0.895]\n", + " PeriodicSite: Li (3.121, 12.0, 5.832) [0.1537, 0.591, 0.2871]\n", + " PeriodicSite: Li (19.54, 11.26, 2.849) [0.962, 0.5541, 0.1403]\n", + " PeriodicSite: Li (10.03, 2.371, 7.893) [0.4939, 0.1167, 0.3886]\n", + " PeriodicSite: Li (16.94, 19.97, 17.27) [0.8339, 0.983, 0.85]\n", + " PeriodicSite: Li (14.7, 12.64, 5.596) [0.7238, 0.6225, 0.2755]\n", + " PeriodicSite: Li (14.22, 8.785, 16.83) [0.6998, 0.4325, 0.8284]\n", + " PeriodicSite: Li (5.082, 11.18, 17.68) [0.2502, 0.5502, 0.8703]\n", + " PeriodicSite: Li (2.187, 10.55, 9.026) [0.1077, 0.5195, 0.4443]\n", + " PeriodicSite: Li (2.413, 16.56, 0.3375) [0.1188, 0.8151, 0.01662]\n", + " PeriodicSite: Li (1.741, 0.2205, 9.432) [0.08572, 0.01085, 0.4643]\n", + " PeriodicSite: Li (12.03, 6.231, 4.47) [0.5924, 0.3067, 0.2201]\n", + " PeriodicSite: Li (13.44, 9.647, 13.93) [0.6618, 0.4749, 0.6858]\n", + " PeriodicSite: Li (10.68, 13.73, 6.835) [0.526, 0.6761, 0.3365]\n", + " PeriodicSite: Li (14.38, 18.97, 13.68) [0.7078, 0.934, 0.6732]\n", + " PeriodicSite: Li (3.757, 7.1, 0.1435) [0.1849, 0.3495, 0.007065]\n", + " PeriodicSite: Li (2.966, 5.069, 12.01) [0.146, 0.2495, 0.5913]\n", + " PeriodicSite: Li (6.242, 17.58, 19.44) [0.3073, 0.8657, 0.9568]\n", + " PeriodicSite: Li (5.046, 18.07, 14.61) [0.2484, 0.8895, 0.7194]\n", + " PeriodicSite: Li (14.82, 6.773, 1.691) [0.7295, 0.3334, 0.08324]\n", + " PeriodicSite: Li (10.68, 6.079, 12.86) [0.526, 0.2993, 0.633]\n", + " PeriodicSite: Li (13.34, 19.16, 4.968) [0.6567, 0.9432, 0.2446]\n", + " PeriodicSite: Li (10.61, 16.43, 13.19) [0.5225, 0.8089, 0.6492]\n", + " PeriodicSite: Li (1.894, 10.03, 1.759) [0.09323, 0.4936, 0.0866]\n", + " PeriodicSite: Li (4.6, 7.399, 10.64) [0.2264, 0.3643, 0.5239]\n", + " PeriodicSite: Li (4.643, 17.09, 1.735) [0.2286, 0.8413, 0.08544]\n", + " PeriodicSite: Li (2.896, 17.04, 10.6) [0.1426, 0.8387, 0.5219]\n", + " PeriodicSite: Li (12.1, 10.19, 1.067) [0.5959, 0.5018, 0.05253]\n", + " PeriodicSite: Li (12.43, 7.181, 15.12) [0.6117, 0.3535, 0.7442]\n", + " PeriodicSite: Li (12.15, 16.36, 4.434) [0.5983, 0.8052, 0.2183]\n", + " PeriodicSite: Li (13.92, 15.46, 12.26) [0.6851, 0.761, 0.6034]\n", + " PeriodicSite: Li (0.4041, 6.76, 3.003) [0.01989, 0.3328, 0.1478]\n", + " PeriodicSite: Li (17.42, 5.664, 9.578) [0.8576, 0.2788, 0.4716]\n", + " PeriodicSite: Li (2.298, 17.43, 5.086) [0.1131, 0.8583, 0.2504]\n", + " PeriodicSite: Li (0.1677, 18.2, 12.17) [0.008252, 0.8958, 0.5992]\n", + " PeriodicSite: Li (9.775, 7.988, 2.233) [0.4813, 0.3933, 0.11]\n", + " PeriodicSite: Li (15.64, 8.344, 13.09) [0.7697, 0.4108, 0.6446]\n", + " PeriodicSite: Li (12.53, 15.98, 1.347) [0.6171, 0.7867, 0.06632]\n", + " PeriodicSite: Li (10.48, 14.03, 17.12) [0.5159, 0.6905, 0.8429]\n", + " PeriodicSite: Li (4.916, 8.488, 3.921) [0.242, 0.4179, 0.1931]\n", + " PeriodicSite: Li (19.94, 11.46, 11.58) [0.9819, 0.5644, 0.57]\n", + " PeriodicSite: Li (0.01361, 17.45, 2.995) [0.000663, 0.8589, 0.1474]\n", + " PeriodicSite: Li (3.155, 19.72, 13.49) [0.1553, 0.9706, 0.6642]\n", + " PeriodicSite: Li (15.64, 11.1, 2.879) [0.7702, 0.5463, 0.1418]\n", + " PeriodicSite: Li (13.07, 6.904, 10.56) [0.6433, 0.3399, 0.5199]\n", + " PeriodicSite: Li (12.6, 19.47, 0.4791) [0.6204, 0.9584, 0.02359]\n", + " PeriodicSite: Li (14.26, 17.58, 10.67) [0.7018, 0.8653, 0.5252]\n", + " PeriodicSite: Li (2.816, 2.868, 20.3) [0.1386, 0.1412, 0.9994]\n", + " PeriodicSite: Li (4.918, 9.518, 13.18) [0.2421, 0.4686, 0.6491]\n", + " PeriodicSite: Li (4.656, 19.01, 3.328) [0.2292, 0.9359, 0.1638]\n", + " PeriodicSite: Li (1.858, 14.93, 13.42) [0.09146, 0.7348, 0.6609]\n", + " PeriodicSite: Li (12.81, 9.4, 4.781) [0.6306, 0.4628, 0.2354]\n", + " PeriodicSite: Li (14.0, 5.587, 12.34) [0.6894, 0.2751, 0.6077]\n", + " PeriodicSite: Li (14.91, 17.14, 1.763) [0.734, 0.8437, 0.08681]\n", + " PeriodicSite: Li (18.02, 2.627, 15.06) [0.887, 0.1293, 0.7415]\n", + " PeriodicSite: Li (9.49, 3.66, 3.133) [0.4672, 0.1802, 0.1542]\n", + " PeriodicSite: Li (9.528, 2.948, 13.43) [0.4691, 0.1451, 0.661]\n", + " PeriodicSite: Li (5.751, 11.47, 3.574) [0.2831, 0.5645, 0.1759]\n", + " PeriodicSite: Li (3.02, 10.47, 14.82) [0.1487, 0.5156, 0.7298]\n", + " PeriodicSite: Li (17.05, 1.787, 5.074) [0.8393, 0.08799, 0.2498]\n", + " PeriodicSite: Li (13.17, 3.418, 9.983) [0.6481, 0.1683, 0.4915]\n", + " PeriodicSite: Li (18.75, 12.08, 0.1972) [0.9232, 0.5949, 0.009713]\n", + " PeriodicSite: Li (17.74, 10.24, 13.11) [0.8735, 0.5042, 0.6453]\n", + " PeriodicSite: Li (5.85, 18.12, 6.083) [0.288, 0.8918, 0.2995]\n", + " PeriodicSite: Li (7.032, 2.294, 14.94) [0.3462, 0.1129, 0.7357]\n", + " PeriodicSite: Li (7.089, 14.28, 20.13) [0.349, 0.7032, 0.9912]\n", + " PeriodicSite: Li (10.3, 13.0, 13.23) [0.5072, 0.6402, 0.6515]\n", + " PeriodicSite: Li (13.88, 20.3, 2.882) [0.6834, 0.9993, 0.1419]\n", + " PeriodicSite: Li (19.69, 1.861, 11.64) [0.9695, 0.09163, 0.573]\n", + " PeriodicSite: Li (18.02, 15.07, 2.19) [0.8871, 0.7418, 0.1078]\n", + " PeriodicSite: Li (17.07, 14.83, 11.89) [0.8401, 0.7299, 0.5853]\n", + " PeriodicSite: Li (8.13, 6.242, 6.092) [0.4002, 0.3073, 0.2999]\n", + " PeriodicSite: Li (7.383, 20.13, 13.78) [0.3635, 0.9908, 0.6783]\n", + " PeriodicSite: Li (10.13, 13.16, 2.85) [0.4986, 0.6481, 0.1403]\n", + " PeriodicSite: Li (5.511, 13.45, 11.96) [0.2713, 0.6623, 0.589]\n", + " PeriodicSite: Li (20.11, 3.494, 3.132) [0.9899, 0.172, 0.1542]\n", + " PeriodicSite: Li (19.84, 5.851, 13.23) [0.9765, 0.288, 0.6511]\n", + " PeriodicSite: Li (15.61, 13.56, 1.748) [0.7683, 0.6675, 0.08606]\n", + " PeriodicSite: Li (15.68, 11.76, 13.25) [0.772, 0.579, 0.6521]\n", + " PeriodicSite: Li (3.052, 20.2, 6.474) [0.1502, 0.9945, 0.3187]\n", + " PeriodicSite: Li (5.248, 1.189, 13.0) [0.2584, 0.05853, 0.6399]\n", + " PeriodicSite: Li (5.405, 13.81, 2.139) [0.2661, 0.6797, 0.1053]\n", + " PeriodicSite: Li (8.021, 6.147, 15.47) [0.3949, 0.3026, 0.7614]\n", + " PeriodicSite: Li (17.08, 5.137, 2.022) [0.8409, 0.2529, 0.09955]\n", + " PeriodicSite: Li (17.3, 20.02, 13.58) [0.8516, 0.9855, 0.6687]\n", + " PeriodicSite: Li (16.07, 14.38, 18.33) [0.7912, 0.7082, 0.9024]\n", + " PeriodicSite: Li (17.55, 13.02, 9.87) [0.8639, 0.6408, 0.4859]\n", + " PeriodicSite: Li (6.661, 3.267, 0.1659) [0.3279, 0.1608, 0.008171]\n", + " PeriodicSite: Li (6.461, 2.971, 10.6) [0.3181, 0.1463, 0.522]\n", + " PeriodicSite: Li (8.212, 10.67, 1.922) [0.4043, 0.5254, 0.09461]\n", + " PeriodicSite: Li (8.341, 10.66, 12.23) [0.4106, 0.525, 0.602]\n", + " PeriodicSite: Li (15.4, 3.191, 1.839) [0.758, 0.1571, 0.09055]\n", + " PeriodicSite: Li (16.23, 3.21, 11.26) [0.7991, 0.158, 0.5544]\n", + " PeriodicSite: Li (1.501, 10.45, 18.21) [0.07387, 0.5144, 0.8965]\n", + " PeriodicSite: Li (18.79, 13.26, 14.42) [0.9251, 0.6529, 0.7102]\n", + " PeriodicSite: Li (9.271, 0.8373, 1.728) [0.4564, 0.04122, 0.08505]\n", + " PeriodicSite: Li (8.411, 1.466, 10.83) [0.4141, 0.07217, 0.5331]\n", + " PeriodicSite: Li (7.93, 13.19, 4.926) [0.3904, 0.6493, 0.2425]\n", + " PeriodicSite: Li (4.78, 16.13, 12.41) [0.2353, 0.7943, 0.6109]\n", + " PeriodicSite: Li (17.39, 2.934, 0.2839) [0.8561, 0.1444, 0.01398]\n", + " PeriodicSite: Li (2.579, 7.158, 14.77) [0.127, 0.3524, 0.7272]\n", + " PeriodicSite: Li (4.563, 14.64, 8.236) [0.2247, 0.7207, 0.4055]\n", + " PeriodicSite: Li (13.61, 13.23, 10.4) [0.6699, 0.6515, 0.512]\n", + " PeriodicSite: Li (13.67, 10.71, 7.066) [0.6729, 0.5271, 0.3479]\n", + " PeriodicSite: Li (5.535, 8.268, 17.19) [0.2725, 0.407, 0.8461]\n", + " PeriodicSite: Li (7.77, 14.05, 10.68) [0.3825, 0.6919, 0.5257]\n", + " PeriodicSite: Li (4.739, 14.82, 18.05) [0.2333, 0.7295, 0.8884]\n", + " PeriodicSite: Li (16.83, 10.25, 6.932) [0.8283, 0.5045, 0.3413]\n", + " PeriodicSite: Li (2.763, 4.906, 18.46) [0.136, 0.2415, 0.9089]\n", + " PeriodicSite: Li (17.95, 17.86, 5.241) [0.8839, 0.8793, 0.258]\n", + " PeriodicSite: Li (20.06, 18.33, 18.2) [0.9877, 0.9025, 0.8961]\n", + " PeriodicSite: Li (7.307, 10.28, 6.318) [0.3597, 0.506, 0.311]\n", + " PeriodicSite: Li (9.564, 5.688, 17.56) [0.4708, 0.28, 0.8646]\n", + " PeriodicSite: Li (8.256, 20.09, 7.787) [0.4064, 0.9892, 0.3834]\n", + " PeriodicSite: Li (8.012, 17.22, 15.62) [0.3944, 0.8479, 0.7692]\n", + " PeriodicSite: Li (18.5, 8.687, 9.439) [0.9106, 0.4277, 0.4647]\n", + " PeriodicSite: Li (17.08, 6.036, 19.06) [0.8408, 0.2972, 0.9385]\n", + " PeriodicSite: Li (18.03, 0.003769, 8.27) [0.8875, 0.0001779, 0.4071]\n", + " PeriodicSite: Li (18.52, 16.51, 15.21) [0.9119, 0.813, 0.7489]\n", + " PeriodicSite: Li (6.587, 5.114, 8.875) [0.3243, 0.2517, 0.4369]\n", + " PeriodicSite: Li (6.859, 5.551, 18.85) [0.3377, 0.2733, 0.9282]\n", + " PeriodicSite: Li (9.263, 17.74, 9.234) [0.456, 0.8734, 0.4546]\n", + " PeriodicSite: Li (12.65, 13.14, 15.36) [0.6229, 0.6469, 0.7562]\n", + " PeriodicSite: Li (19.84, 7.247, 7.525) [0.9768, 0.3568, 0.3705]\n", + " PeriodicSite: Li (20.03, 7.276, 17.05) [0.9863, 0.3582, 0.8393]\n", + " PeriodicSite: Li (17.07, 17.87, 9.673) [0.8405, 0.8797, 0.4762]\n", + " PeriodicSite: Li (17.11, 16.69, 19.84) [0.8423, 0.8216, 0.9766]\n", + " PeriodicSite: Li (8.946, 7.875, 10.24) [0.4404, 0.3877, 0.5042]\n", + " PeriodicSite: Li (5.139, 4.586, 2.264) [0.253, 0.2258, 0.1115]\n", + " PeriodicSite: Li (5.944, 17.4, 9.538) [0.2926, 0.8566, 0.4696]\n", + " PeriodicSite: Li (8.027, 15.45, 2.968) [0.3952, 0.7606, 0.1461]\n", + " PeriodicSite: Li (15.21, 7.21, 8.239) [0.7486, 0.3549, 0.4056]\n", + " PeriodicSite: Li (18.69, 8.653, 19.96) [0.92, 0.426, 0.9827]\n", + " PeriodicSite: Li (15.59, 18.83, 6.636) [0.7676, 0.9271, 0.3267]\n", + " PeriodicSite: Li (15.19, 17.76, 16.45) [0.748, 0.8745, 0.8098]\n", + " PeriodicSite: Li (6.005, 4.967, 12.52) [0.2956, 0.2445, 0.6166]\n", + " PeriodicSite: Li (8.076, 10.59, 18.54) [0.3976, 0.5216, 0.9127]\n", + " PeriodicSite: Li (9.309, 17.86, 5.757) [0.4583, 0.8795, 0.2834]\n", + " PeriodicSite: Li (10.51, 17.95, 2.336) [0.5174, 0.8838, 0.115]\n", + " PeriodicSite: Li (17.0, 8.881, 4.896) [0.8368, 0.4372, 0.241]\n", + " PeriodicSite: Li (13.88, 6.377, 19.25) [0.6833, 0.3139, 0.9479]\n", + " PeriodicSite: Li (19.75, 17.92, 7.806) [0.9725, 0.8824, 0.3843]\n", + " PeriodicSite: Li (17.41, 0.6281, 2.561) [0.857, 0.03091, 0.1261]\n", + " PeriodicSite: Li (2.892, 9.415, 5.326) [0.1424, 0.4635, 0.2622]\n", + " PeriodicSite: Li (8.959, 7.599, 19.45) [0.441, 0.3741, 0.9578]\n", + " PeriodicSite: Li (7.469, 15.29, 8.01) [0.3677, 0.7528, 0.3944]\n", + " PeriodicSite: Li (6.887, 19.96, 17.3) [0.339, 0.9827, 0.8518]\n", + " PeriodicSite: Li (17.79, 5.926, 5.537) [0.8757, 0.2917, 0.2726]\n", + " PeriodicSite: Li (16.51, 11.26, 16.25) [0.8127, 0.5545, 0.8001]\n", + " PeriodicSite: Li (2.041, 15.24, 2.871) [0.1005, 0.7501, 0.1413]\n", + " PeriodicSite: Li (14.93, 1.554, 13.65) [0.7348, 0.07651, 0.6722]\n", + " PeriodicSite: Cl (7.835, 12.98, 12.87) [0.3857, 0.6389, 0.6338]\n", + " PeriodicSite: Cl (2.465, 12.4, 17.77) [0.1213, 0.6106, 0.8748]\n", + " PeriodicSite: Cl (12.8, 17.5, 12.55) [0.6303, 0.8614, 0.6181]\n", + " PeriodicSite: Cl (18.07, 7.838, 17.98) [0.8897, 0.3859, 0.8851]\n", + " PeriodicSite: Cl (7.341, 2.443, 2.457) [0.3614, 0.1203, 0.1209]\n", + " PeriodicSite: Cl (7.401, 7.676, 7.518) [0.3644, 0.3779, 0.3701]\n", + " PeriodicSite: Cl (12.79, 12.91, 7.383) [0.6298, 0.6354, 0.3635]\n", + " PeriodicSite: Cl (2.709, 7.799, 2.921) [0.1334, 0.384, 0.1438]\n", + " PeriodicSite: Cl (2.949, 7.694, 12.47) [0.1452, 0.3788, 0.6137]\n", + " PeriodicSite: Cl (12.58, 12.91, 17.79) [0.6191, 0.6355, 0.8757]\n", + " PeriodicSite: Cl (17.6, 17.79, 17.45) [0.8662, 0.8756, 0.8593]\n", + " PeriodicSite: Cl (2.321, 1.995, 8.023) [0.1143, 0.09819, 0.395]\n", + " PeriodicSite: Cl (12.78, 2.852, 17.72) [0.629, 0.1404, 0.8722]\n", + " PeriodicSite: Cl (12.48, 7.729, 2.574) [0.6144, 0.3805, 0.1267]\n", + " PeriodicSite: Cl (17.33, 2.099, 13.02) [0.8534, 0.1033, 0.641]\n", + " PeriodicSite: Cl (7.927, 18.08, 18.02) [0.3903, 0.8901, 0.8872]\n", + " PeriodicSite: Cl (0.03548, 20.15, 19.57) [0.001743, 0.9919, 0.9635]\n", + " PeriodicSite: Cl (19.99, 20.2, 10.11) [0.9839, 0.9945, 0.4976]\n", + " PeriodicSite: Cl (0.1643, 10.36, 0.09569) [0.008085, 0.51, 0.004712]\n", + " PeriodicSite: Cl (0.001758, 10.19, 9.8) [8.454e-05, 0.5017, 0.4825]\n", + " PeriodicSite: Cl (10.37, 20.15, 20.13) [0.5103, 0.9922, 0.9909]\n", + " PeriodicSite: Cl (9.901, 20.21, 9.675) [0.4874, 0.9951, 0.4763]\n", + " PeriodicSite: Cl (9.827, 9.92, 20.17) [0.4838, 0.4884, 0.9929]\n", + " PeriodicSite: Cl (10.14, 9.731, 10.61) [0.4994, 0.4791, 0.5224]\n", + " PeriodicSite: Cl (20.22, 5.318, 4.956) [0.9955, 0.2618, 0.244]\n", + " PeriodicSite: Cl (0.05724, 5.526, 15.34) [0.002819, 0.272, 0.7554]\n", + " PeriodicSite: Cl (0.689, 15.55, 4.912) [0.03391, 0.7656, 0.2418]\n", + " PeriodicSite: Cl (0.2324, 15.04, 15.18) [0.01144, 0.7405, 0.7475]\n", + " PeriodicSite: Cl (9.883, 5.335, 4.757) [0.4866, 0.2627, 0.2342]\n", + " PeriodicSite: Cl (9.728, 4.904, 14.69) [0.4789, 0.2414, 0.7233]\n", + " PeriodicSite: Cl (9.971, 15.38, 4.623) [0.4909, 0.7571, 0.2276]\n", + " PeriodicSite: Cl (10.61, 14.85, 14.85) [0.5224, 0.731, 0.7313]\n", + " PeriodicSite: S (5.002, 0.1619, 5.271) [0.2463, 0.007969, 0.2595]\n", + " PeriodicSite: S (5.292, 20.27, 15.17) [0.2605, 0.998, 0.7468]\n", + " PeriodicSite: S (5.058, 10.32, 5.509) [0.249, 0.5082, 0.2712]\n", + " PeriodicSite: S (5.199, 10.22, 15.46) [0.2559, 0.5031, 0.761]\n", + " PeriodicSite: S (14.94, 0.3855, 5.34) [0.7357, 0.01897, 0.2629]\n", + " PeriodicSite: S (15.41, 20.06, 15.3) [0.7585, 0.9875, 0.7535]\n", + " PeriodicSite: S (15.07, 10.06, 5.249) [0.7421, 0.4955, 0.2584]\n", + " PeriodicSite: S (15.56, 9.672, 15.02) [0.7661, 0.4762, 0.7395]\n", + " PeriodicSite: S (4.851, 4.693, 20.22) [0.2388, 0.2311, 0.9955]\n", + " PeriodicSite: S (4.929, 4.804, 10.53) [0.2427, 0.2365, 0.5185]\n", + " PeriodicSite: S (4.833, 15.19, 0.1879) [0.2379, 0.748, 0.009252]\n", + " PeriodicSite: S (5.583, 15.1, 10.23) [0.2749, 0.7436, 0.5037]\n", + " PeriodicSite: S (15.42, 5.075, 20.29) [0.7593, 0.2498, 0.9989]\n", + " PeriodicSite: S (14.97, 5.17, 10.07) [0.7371, 0.2545, 0.4959]\n", + " PeriodicSite: S (15.05, 15.42, 0.01686) [0.7409, 0.7593, 0.0008354]\n", + " PeriodicSite: S (15.43, 15.27, 9.978) [0.7598, 0.7518, 0.4912]\n", + " PeriodicSite: S (8.672, 3.521, 9.359) [0.4269, 0.1733, 0.4608]\n", + " PeriodicSite: S (8.942, 3.619, 19.33) [0.4402, 0.1782, 0.9519]\n", + " PeriodicSite: S (9.363, 13.69, 8.796) [0.461, 0.674, 0.433]\n", + " PeriodicSite: S (9.419, 13.81, 19.19) [0.4637, 0.6797, 0.9449]\n", + " PeriodicSite: S (18.47, 3.541, 9.429) [0.9095, 0.1743, 0.4642]\n", + " PeriodicSite: S (19.11, 4.19, 18.9) [0.9407, 0.2063, 0.9307]\n", + " PeriodicSite: S (19.28, 14.32, 8.567) [0.949, 0.7052, 0.4218]\n", + " PeriodicSite: S (18.73, 14.13, 19.07) [0.922, 0.6957, 0.9387]\n", + " PeriodicSite: S (3.747, 1.015, 1.484) [0.1844, 0.04995, 0.07307]\n", + " PeriodicSite: S (3.711, 1.089, 11.3) [0.1827, 0.05361, 0.5561]\n", + " PeriodicSite: S (3.812, 11.5, 1.474) [0.1876, 0.5663, 0.07258]\n", + " PeriodicSite: S (4.354, 11.39, 11.58) [0.2144, 0.5605, 0.5699]\n", + " PeriodicSite: S (13.78, 1.301, 0.8129) [0.6783, 0.06406, 0.04002]\n", + " PeriodicSite: S (13.92, 1.143, 11.44) [0.6855, 0.05626, 0.563]\n", + " PeriodicSite: S (13.94, 11.44, 1.038) [0.6862, 0.5631, 0.05109]\n", + " PeriodicSite: S (13.74, 11.09, 11.51) [0.6766, 0.5458, 0.5668]\n", + " PeriodicSite: S (6.352, 1.233, 9.165) [0.3127, 0.0607, 0.4512]\n", + " PeriodicSite: S (6.151, 0.8803, 19.13) [0.3028, 0.04334, 0.9419]\n", + " PeriodicSite: S (6.782, 11.16, 9.22) [0.3339, 0.5495, 0.4539]\n", + " PeriodicSite: S (6.257, 11.73, 19.7) [0.3081, 0.5776, 0.9697]\n", + " PeriodicSite: S (16.24, 1.36, 9.095) [0.7995, 0.06693, 0.4478]\n", + " PeriodicSite: S (16.25, 1.409, 18.83) [0.8001, 0.06934, 0.9271]\n", + " PeriodicSite: S (15.86, 11.42, 8.931) [0.7807, 0.5623, 0.4397]\n", + " PeriodicSite: S (16.25, 11.41, 18.84) [0.7998, 0.5616, 0.9276]\n", + " PeriodicSite: S (1.006, 4.272, 1.274) [0.04952, 0.2103, 0.0627]\n", + " PeriodicSite: S (0.8898, 3.908, 11.36) [0.04381, 0.1924, 0.5591]\n", + " PeriodicSite: S (1.128, 14.4, 1.08) [0.05554, 0.7088, 0.05319]\n", + " PeriodicSite: S (0.8038, 14.05, 11.27) [0.03957, 0.6915, 0.5548]\n", + " PeriodicSite: S (11.29, 3.971, 1.483) [0.5558, 0.1955, 0.07303]\n", + " PeriodicSite: S (11.23, 3.992, 11.48) [0.5528, 0.1965, 0.5654]\n", + " PeriodicSite: S (11.53, 14.04, 1.095) [0.5675, 0.6913, 0.05391]\n", + " PeriodicSite: S (11.52, 13.82, 11.32) [0.5672, 0.6804, 0.5573]\n", + " PeriodicSite: S (2.304, 2.599, 18.03) [0.1134, 0.128, 0.8875]\n", + " PeriodicSite: S (2.777, 12.73, 8.112) [0.1367, 0.6267, 0.3993]\n", + " PeriodicSite: S (12.41, 2.688, 7.913) [0.6109, 0.1323, 0.3896]\n", + " PeriodicSite: S (8.805, 9.27, 4.171) [0.4335, 0.4564, 0.2053]\n", + " PeriodicSite: S (9.107, 8.803, 14.07) [0.4484, 0.4334, 0.6926]\n", + " PeriodicSite: S (8.771, 19.12, 3.78) [0.4318, 0.9412, 0.1861]\n", + " PeriodicSite: S (9.328, 18.77, 14.41) [0.4592, 0.9239, 0.7092]\n", + " PeriodicSite: S (19.21, 8.944, 4.012) [0.9455, 0.4403, 0.1975]\n", + " PeriodicSite: S (19.08, 8.757, 14.02) [0.9393, 0.4311, 0.6902]\n", + " PeriodicSite: S (18.88, 19.54, 3.941) [0.9294, 0.9622, 0.194]\n", + " PeriodicSite: S (19.31, 18.81, 14.01) [0.9506, 0.9263, 0.6899]\n", + " PeriodicSite: S (3.685, 6.458, 6.356) [0.1814, 0.3179, 0.3129]\n", + " PeriodicSite: S (3.873, 6.196, 16.58) [0.1907, 0.305, 0.8164]\n", + " PeriodicSite: S (4.018, 16.23, 6.634) [0.1978, 0.7991, 0.3266]\n", + " PeriodicSite: S (4.224, 16.51, 16.43) [0.2079, 0.8129, 0.809]\n", + " PeriodicSite: S (13.53, 6.089, 6.168) [0.6662, 0.2998, 0.3037]\n", + " PeriodicSite: S (14.61, 6.412, 16.41) [0.7193, 0.3156, 0.808]\n", + " PeriodicSite: S (14.03, 16.59, 5.878) [0.6905, 0.817, 0.2894]\n", + " PeriodicSite: S (14.11, 15.69, 16.27) [0.6946, 0.7722, 0.8012]\n", + " PeriodicSite: S (6.123, 6.489, 3.97) [0.3014, 0.3195, 0.1955]\n", + " PeriodicSite: S (5.885, 6.38, 14.33) [0.2897, 0.3141, 0.7054]\n", + " PeriodicSite: S (5.905, 16.4, 4.035) [0.2907, 0.8072, 0.1987]\n", + " PeriodicSite: S (6.64, 16.51, 13.84) [0.3269, 0.8127, 0.6815]\n", + " PeriodicSite: S (15.97, 6.717, 3.797) [0.7863, 0.3307, 0.1869]\n", + " PeriodicSite: S (16.78, 6.063, 13.85) [0.8263, 0.2985, 0.6819]\n", + " PeriodicSite: S (16.47, 16.44, 3.659) [0.8106, 0.8094, 0.1802]\n", + " PeriodicSite: S (15.91, 16.44, 13.43) [0.7831, 0.8094, 0.6613]\n", + " PeriodicSite: S (0.8511, 8.842, 6.764) [0.0419, 0.4353, 0.333]\n", + " PeriodicSite: S (1.225, 9.114, 16.37) [0.06029, 0.4487, 0.8059]\n", + " PeriodicSite: S (0.9472, 19.36, 6.095) [0.04663, 0.9531, 0.3]\n", + " PeriodicSite: S (1.201, 19.18, 16.55) [0.05913, 0.9442, 0.8147]\n", + " PeriodicSite: S (11.19, 9.614, 6.656) [0.5509, 0.4733, 0.3277]\n", + " PeriodicSite: S (11.2, 8.822, 16.69) [0.5512, 0.4343, 0.8218]\n", + " PeriodicSite: S (11.16, 19.28, 6.176) [0.5492, 0.9493, 0.3041]\n", + " PeriodicSite: S (11.65, 19.71, 16.72) [0.5734, 0.9703, 0.823]\n", + " PeriodicSite: S (2.408, 17.73, 2.737) [0.1185, 0.8727, 0.1348]\n", + " PeriodicSite: S (2.835, 17.44, 13.25) [0.1396, 0.8585, 0.6522]\n", + " PeriodicSite: S (12.96, 7.522, 12.81) [0.6382, 0.3703, 0.6308]\n", + " PeriodicSite: S (12.81, 17.98, 2.619) [0.6306, 0.8851, 0.129]\n", + " PeriodicSite: S (3.793, 4.05, 4.062) [0.1867, 0.1994, 0.2]\n", + " PeriodicSite: S (3.86, 3.631, 14.45) [0.19, 0.1788, 0.7116]\n", + " PeriodicSite: S (3.757, 13.78, 4.141) [0.185, 0.6783, 0.2039]\n", + " PeriodicSite: S (4.353, 13.99, 14.18) [0.2143, 0.6886, 0.6979]\n", + " PeriodicSite: S (13.58, 4.412, 3.441) [0.6685, 0.2172, 0.1694]\n", + " PeriodicSite: S (14.11, 3.852, 14.02) [0.6945, 0.1896, 0.69]\n", + " PeriodicSite: S (14.13, 14.31, 3.562) [0.6959, 0.7044, 0.1754]\n", + " PeriodicSite: S (14.18, 13.68, 13.66) [0.6979, 0.6736, 0.6723]\n", + " PeriodicSite: S (8.674, 1.375, 5.981) [0.427, 0.0677, 0.2945]\n", + " PeriodicSite: S (8.882, 1.277, 16.21) [0.4373, 0.06287, 0.7982]\n", + " PeriodicSite: S (9.266, 12.0, 6.188) [0.4562, 0.5907, 0.3046]\n", + " PeriodicSite: S (8.954, 11.32, 16.38) [0.4408, 0.5574, 0.8062]\n", + " PeriodicSite: S (19.07, 1.722, 6.183) [0.9387, 0.08478, 0.3044]\n", + " PeriodicSite: S (18.96, 0.9763, 16.53) [0.9335, 0.04806, 0.8137]\n", + " PeriodicSite: S (19.13, 11.44, 6.383) [0.9419, 0.5633, 0.3143]\n", + " PeriodicSite: S (19.32, 11.54, 16.1) [0.9509, 0.5683, 0.7926]\n", + " PeriodicSite: S (1.158, 1.421, 3.672) [0.05702, 0.06997, 0.1808]\n", + " PeriodicSite: S (0.9665, 1.177, 14.08) [0.04759, 0.05796, 0.6934]\n", + " PeriodicSite: S (1.272, 11.18, 4.188) [0.0626, 0.5503, 0.2062]\n", + " PeriodicSite: S (1.185, 10.88, 13.59) [0.05833, 0.5357, 0.6692]\n", + " PeriodicSite: S (11.08, 1.378, 3.671) [0.5457, 0.06784, 0.1807]\n", + " PeriodicSite: S (11.28, 1.125, 13.89) [0.5555, 0.05536, 0.6838]\n", + " PeriodicSite: S (11.38, 11.33, 3.703) [0.5604, 0.5578, 0.1823]\n", + " PeriodicSite: S (11.5, 11.13, 14.2) [0.5662, 0.5478, 0.6991]\n", + " PeriodicSite: S (6.382, 4.34, 6.491) [0.3142, 0.2137, 0.3195]\n", + " PeriodicSite: S (6.251, 3.837, 16.6) [0.3077, 0.1889, 0.8173]\n", + " PeriodicSite: S (6.245, 14.01, 6.342) [0.3074, 0.6896, 0.3122]\n", + " PeriodicSite: S (6.56, 14.28, 16.55) [0.3229, 0.7031, 0.8145]\n", + " PeriodicSite: S (16.01, 3.938, 5.731) [0.7883, 0.1939, 0.2821]\n", + " PeriodicSite: S (16.56, 3.893, 16.29) [0.8152, 0.1917, 0.8019]\n", + " PeriodicSite: S (16.41, 14.11, 6.207) [0.8077, 0.6947, 0.3056]\n", + " PeriodicSite: S (16.87, 13.98, 15.77) [0.8303, 0.6883, 0.7765]\n", + " PeriodicSite: S (7.398, 2.328, 12.72) [0.3642, 0.1146, 0.626]\n", + " PeriodicSite: S (7.352, 12.99, 2.801) [0.362, 0.6395, 0.1379]\n", + " PeriodicSite: S (17.57, 2.828, 2.57) [0.865, 0.1392, 0.1265]\n", + " PeriodicSite: S (17.68, 12.74, 2.478) [0.8702, 0.6274, 0.122]\n", + " PeriodicSite: S (18.0, 12.55, 12.13) [0.8861, 0.6178, 0.5972]\n", + " PeriodicSite: S (4.076, 9.115, 9.138) [0.2007, 0.4488, 0.4499]\n", + " PeriodicSite: S (3.84, 9.357, 19.33) [0.1891, 0.4607, 0.9515]\n", + " PeriodicSite: S (3.932, 18.88, 9.161) [0.1936, 0.9296, 0.451]\n", + " PeriodicSite: S (3.869, 18.72, 19.62) [0.1905, 0.9215, 0.9661]\n", + " PeriodicSite: S (13.79, 8.887, 9.132) [0.6787, 0.4375, 0.4496]\n", + " PeriodicSite: S (13.61, 9.209, 19.36) [0.6698, 0.4534, 0.953]\n", + " PeriodicSite: S (13.82, 19.21, 8.955) [0.6802, 0.9456, 0.4409]\n", + " PeriodicSite: S (14.14, 19.29, 18.81) [0.6962, 0.9497, 0.9263]\n", + " PeriodicSite: S (8.663, 6.041, 1.166) [0.4265, 0.2974, 0.05742]\n", + " PeriodicSite: S (8.558, 5.974, 11.63) [0.4213, 0.2941, 0.5727]\n", + " PeriodicSite: S (8.963, 16.49, 0.8981) [0.4412, 0.8116, 0.04422]\n", + " PeriodicSite: S (9.16, 16.23, 10.97) [0.4509, 0.799, 0.5403]\n", + " PeriodicSite: S (19.05, 6.463, 0.9641) [0.9378, 0.3182, 0.04747]\n", + " PeriodicSite: S (19.2, 6.529, 10.96) [0.9451, 0.3214, 0.5397]\n", + " PeriodicSite: S (19.04, 16.78, 1.033) [0.9375, 0.8259, 0.05088]\n", + " PeriodicSite: S (18.75, 16.62, 11.2) [0.923, 0.8182, 0.5515]\n", + " PeriodicSite: S (0.955, 5.355, 8.411) [0.04701, 0.2636, 0.4141]\n", + " PeriodicSite: S (1.255, 6.661, 19.19) [0.0618, 0.3279, 0.9447]\n", + " PeriodicSite: S (1.326, 16.56, 9.091) [0.06526, 0.815, 0.4476]\n", + " PeriodicSite: S (0.9762, 16.24, 18.74) [0.04806, 0.7996, 0.9224]\n", + " PeriodicSite: S (10.7, 6.323, 9.119) [0.5265, 0.3113, 0.4489]\n", + " PeriodicSite: S (11.33, 6.304, 19.46) [0.5579, 0.3103, 0.9579]\n", + " PeriodicSite: S (11.49, 16.21, 8.589) [0.5657, 0.798, 0.4228]\n", + " PeriodicSite: S (11.51, 16.52, 19.2) [0.5668, 0.8134, 0.9451]\n", + " PeriodicSite: S (6.201, 9.148, 1.784) [0.3053, 0.4503, 0.08785]\n", + " PeriodicSite: S (6.527, 8.752, 11.47) [0.3214, 0.4309, 0.5648]\n", + " PeriodicSite: S (6.267, 19.11, 1.567) [0.3085, 0.9409, 0.07716]\n", + " PeriodicSite: S (6.313, 19.11, 11.44) [0.3108, 0.9407, 0.563]\n", + " PeriodicSite: S (16.38, 8.962, 0.9717) [0.8065, 0.4412, 0.04784]\n", + " PeriodicSite: S (16.61, 8.919, 11.12) [0.8178, 0.4391, 0.5473]\n", + " PeriodicSite: S (16.2, 19.35, 0.9298) [0.7977, 0.9524, 0.04578]\n", + " PeriodicSite: S (16.05, 18.97, 11.34) [0.7901, 0.9341, 0.5583]\n", + " PeriodicSite: S (7.758, 7.303, 17.48) [0.3819, 0.3595, 0.8604]\n", + " PeriodicSite: S (7.693, 17.66, 7.586) [0.3787, 0.8696, 0.3735]\n", + " PeriodicSite: S (17.34, 7.702, 7.408) [0.8535, 0.3792, 0.3647]\n", + " PeriodicSite: S (17.44, 18.03, 7.446) [0.8588, 0.8878, 0.3666]\n", + " PeriodicSite: P (4.95, 20.24, 0.2035) [0.2437, 0.9962, 0.01002]\n", + " PeriodicSite: P (5.069, 20.22, 10.34) [0.2496, 0.9957, 0.5091]\n", + " PeriodicSite: P (5.049, 10.27, 0.4807) [0.2486, 0.5055, 0.02367]\n", + " PeriodicSite: P (5.47, 10.1, 10.29) [0.2693, 0.4972, 0.5068]\n", + " PeriodicSite: P (15.2, 0.1963, 20.02) [0.7482, 0.009661, 0.9855]\n", + " PeriodicSite: P (15.09, 0.1025, 10.19) [0.7427, 0.005041, 0.5017]\n", + " PeriodicSite: P (15.18, 10.25, 20.11) [0.7474, 0.5046, 0.9901]\n", + " PeriodicSite: P (15.07, 10.07, 10.28) [0.742, 0.4956, 0.5059]\n", + " PeriodicSite: P (4.969, 5.252, 5.223) [0.2446, 0.2586, 0.2572]\n", + " PeriodicSite: P (4.981, 4.948, 15.5) [0.2452, 0.2436, 0.7628]\n", + " PeriodicSite: P (4.919, 15.11, 5.277) [0.2422, 0.7438, 0.2598]\n", + " PeriodicSite: P (5.5, 15.38, 15.19) [0.2708, 0.7573, 0.7479]\n", + " PeriodicSite: P (14.78, 5.228, 4.87) [0.7277, 0.2574, 0.2398]\n", + " PeriodicSite: P (15.46, 5.057, 15.09) [0.761, 0.249, 0.743]\n", + " PeriodicSite: P (15.25, 15.32, 4.827) [0.7509, 0.7543, 0.2376]\n", + " PeriodicSite: P (15.28, 15.01, 14.73) [0.7523, 0.739, 0.7251]\n", + " PeriodicSite: P (20.24, 0.4383, 4.934) [0.9963, 0.02157, 0.2429]\n", + " PeriodicSite: P (20.18, 20.25, 15.3) [0.9937, 0.9971, 0.7535]\n", + " PeriodicSite: P (20.18, 10.07, 5.334) [0.9933, 0.496, 0.2626]\n", + " PeriodicSite: P (20.21, 10.1, 15.01) [0.9947, 0.4971, 0.7388]\n", + " PeriodicSite: P (9.926, 0.1441, 4.943) [0.4887, 0.00709, 0.2433]\n", + " PeriodicSite: P (10.34, 20.3, 15.34) [0.509, 0.9996, 0.7553]\n", + " PeriodicSite: P (10.18, 10.56, 5.134) [0.5012, 0.5197, 0.2527]\n", + " PeriodicSite: P (10.06, 9.987, 15.42) [0.4953, 0.4917, 0.7591]\n", + " PeriodicSite: P (0.006264, 5.337, 20.15) [0.0003115, 0.2627, 0.9918]\n", + " PeriodicSite: P (20.02, 4.935, 9.951) [0.9856, 0.2429, 0.4899]\n", + " PeriodicSite: P (19.98, 15.33, 20.21) [0.9837, 0.7545, 0.9948]\n", + " PeriodicSite: P (20.12, 15.49, 10.08) [0.9908, 0.7626, 0.4962]\n", + " PeriodicSite: P (10.08, 4.953, 0.244) [0.4964, 0.2438, 0.01201]\n", + " PeriodicSite: P (9.838, 5.016, 10.41) [0.4843, 0.247, 0.5127]\n", + " PeriodicSite: P (10.29, 15.27, 20.16) [0.5068, 0.7519, 0.9926]\n", + " PeriodicSite: P (10.51, 14.99, 9.95) [0.5174, 0.7381, 0.4899],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.109, 5.222, 5.748) [0.1038, 0.2571, 0.283]\n", + " PeriodicSite: Li (1.93, 4.058, 16.12) [0.09502, 0.1998, 0.7934]\n", + " PeriodicSite: Li (0.1443, 12.45, 7.681) [0.007102, 0.6129, 0.3781]\n", + " PeriodicSite: Li (0.1454, 13.63, 16.8) [0.007155, 0.6709, 0.8271]\n", + " PeriodicSite: Li (13.75, 0.8202, 7.251) [0.6771, 0.04037, 0.357]\n", + " PeriodicSite: Li (12.07, 3.396, 16.0) [0.5944, 0.1672, 0.7877]\n", + " PeriodicSite: Li (17.89, 12.8, 4.477) [0.8807, 0.63, 0.2204]\n", + " PeriodicSite: Li (16.9, 7.994, 15.46) [0.8319, 0.3936, 0.7611]\n", + " PeriodicSite: Li (3.221, 3.096, 10.45) [0.1586, 0.1524, 0.5145]\n", + " PeriodicSite: Li (2.264, 0.2249, 18.03) [0.1115, 0.01107, 0.8876]\n", + " PeriodicSite: Li (5.499, 8.51, 7.063) [0.2707, 0.419, 0.3477]\n", + " PeriodicSite: Li (7.482, 9.534, 16.19) [0.3684, 0.4694, 0.797]\n", + " PeriodicSite: Li (11.8, 5.1, 7.134) [0.5808, 0.2511, 0.3512]\n", + " PeriodicSite: Li (12.88, 3.149, 20.27) [0.6342, 0.155, 0.9977]\n", + " PeriodicSite: Li (11.73, 9.155, 11.52) [0.5774, 0.4507, 0.5672]\n", + " PeriodicSite: Li (9.743, 18.37, 18.79) [0.4797, 0.9045, 0.9251]\n", + " PeriodicSite: Li (5.184, 1.943, 6.706) [0.2552, 0.09568, 0.3301]\n", + " PeriodicSite: Li (3.243, 1.494, 15.32) [0.1597, 0.07355, 0.7544]\n", + " PeriodicSite: Li (4.249, 11.18, 7.481) [0.2092, 0.5505, 0.3683]\n", + " PeriodicSite: Li (6.997, 11.75, 15.18) [0.3445, 0.5786, 0.7473]\n", + " PeriodicSite: Li (11.68, 1.171, 9.701) [0.5748, 0.05765, 0.4776]\n", + " PeriodicSite: Li (10.14, 1.348, 18.41) [0.499, 0.06637, 0.9061]\n", + " PeriodicSite: Li (14.33, 14.84, 7.897) [0.7055, 0.7304, 0.3888]\n", + " PeriodicSite: Li (11.94, 10.73, 17.95) [0.588, 0.5284, 0.8837]\n", + " PeriodicSite: Li (0.09277, 3.212, 8.057) [0.004568, 0.1581, 0.3966]\n", + " PeriodicSite: Li (0.06174, 2.253, 18.13) [0.003044, 0.1109, 0.8928]\n", + " PeriodicSite: Li (2.067, 14.9, 7.079) [0.1017, 0.7337, 0.3485]\n", + " PeriodicSite: Li (3.199, 13.7, 20.11) [0.1575, 0.6744, 0.9901]\n", + " PeriodicSite: Li (12.46, 2.401, 5.309) [0.6136, 0.1182, 0.2613]\n", + " PeriodicSite: Li (13.88, 0.7175, 16.96) [0.6833, 0.03532, 0.8352]\n", + " PeriodicSite: Li (10.06, 11.12, 8.088) [0.4955, 0.5473, 0.3982]\n", + " PeriodicSite: Li (14.26, 16.74, 18.73) [0.702, 0.8243, 0.9222]\n", + " PeriodicSite: Li (6.908, 0.9078, 4.259) [0.3401, 0.04469, 0.2097]\n", + " PeriodicSite: Li (2.011, 19.07, 0.6549) [0.09897, 0.9387, 0.03224]\n", + " PeriodicSite: Li (2.84, 14.28, 9.896) [0.1398, 0.7032, 0.4872]\n", + " PeriodicSite: Li (1.999, 17.11, 15.13) [0.0984, 0.8422, 0.745]\n", + " PeriodicSite: Li (14.68, 3.494, 8.186) [0.7228, 0.172, 0.403]\n", + " PeriodicSite: Li (15.34, 3.658, 18.22) [0.7552, 0.1801, 0.8969]\n", + " PeriodicSite: Li (17.41, 15.98, 7.016) [0.8573, 0.7865, 0.3454]\n", + " PeriodicSite: Li (13.38, 13.31, 19.99) [0.6586, 0.6553, 0.9839]\n", + " PeriodicSite: Li (3.342, 1.77, 4.684) [0.1645, 0.08715, 0.2306]\n", + " PeriodicSite: Li (4.827, 2.716, 18.31) [0.2376, 0.1337, 0.9014]\n", + " PeriodicSite: Li (2.901, 12.04, 5.532) [0.1428, 0.5925, 0.2724]\n", + " PeriodicSite: Li (19.25, 10.99, 2.346) [0.9475, 0.5413, 0.1155]\n", + " PeriodicSite: Li (10.01, 2.003, 8.156) [0.4926, 0.09858, 0.4015]\n", + " PeriodicSite: Li (16.95, 20.07, 16.85) [0.8343, 0.988, 0.8295]\n", + " PeriodicSite: Li (14.27, 12.68, 5.485) [0.7024, 0.6241, 0.2701]\n", + " PeriodicSite: Li (14.73, 9.497, 16.81) [0.7252, 0.4675, 0.8278]\n", + " PeriodicSite: Li (4.357, 10.9, 18.01) [0.2145, 0.5364, 0.8868]\n", + " PeriodicSite: Li (2.33, 10.99, 9.807) [0.1147, 0.5409, 0.4828]\n", + " PeriodicSite: Li (3.061, 16.82, 0.1895) [0.1507, 0.8279, 0.009332]\n", + " PeriodicSite: Li (2.05, 20.27, 9.643) [0.1009, 0.998, 0.4747]\n", + " PeriodicSite: Li (12.12, 5.933, 4.414) [0.5966, 0.2921, 0.2173]\n", + " PeriodicSite: Li (13.25, 9.892, 13.67) [0.6521, 0.487, 0.673]\n", + " PeriodicSite: Li (10.82, 14.48, 7.219) [0.5329, 0.7128, 0.3554]\n", + " PeriodicSite: Li (13.73, 19.66, 13.05) [0.676, 0.9678, 0.6422]\n", + " PeriodicSite: Li (3.776, 6.973, 0.6929) [0.1859, 0.3433, 0.03411]\n", + " PeriodicSite: Li (3.309, 5.079, 12.23) [0.1629, 0.25, 0.602]\n", + " PeriodicSite: Li (6.801, 16.92, 19.8) [0.3348, 0.8331, 0.975]\n", + " PeriodicSite: Li (4.92, 18.09, 14.54) [0.2422, 0.8907, 0.7158]\n", + " PeriodicSite: Li (14.06, 6.173, 2.111) [0.6921, 0.3039, 0.104]\n", + " PeriodicSite: Li (10.52, 5.844, 13.03) [0.518, 0.2877, 0.6415]\n", + " PeriodicSite: Li (13.23, 18.74, 4.827) [0.6511, 0.9227, 0.2376]\n", + " PeriodicSite: Li (10.7, 17.53, 13.31) [0.5266, 0.8631, 0.6551]\n", + " PeriodicSite: Li (2.069, 10.22, 1.358) [0.1019, 0.503, 0.06685]\n", + " PeriodicSite: Li (4.3, 7.239, 10.86) [0.2117, 0.3564, 0.5348]\n", + " PeriodicSite: Li (4.819, 16.95, 2.135) [0.2372, 0.8343, 0.1051]\n", + " PeriodicSite: Li (3.238, 16.84, 10.54) [0.1594, 0.829, 0.5187]\n", + " PeriodicSite: Li (12.1, 10.06, 1.301) [0.5956, 0.4952, 0.06404]\n", + " PeriodicSite: Li (12.28, 6.866, 15.1) [0.6047, 0.338, 0.7434]\n", + " PeriodicSite: Li (11.86, 16.09, 3.417) [0.5837, 0.7922, 0.1682]\n", + " PeriodicSite: Li (13.6, 15.25, 11.76) [0.6693, 0.7509, 0.5789]\n", + " PeriodicSite: Li (0.2654, 7.43, 3.061) [0.01306, 0.3658, 0.1507]\n", + " PeriodicSite: Li (17.17, 5.925, 9.743) [0.8451, 0.2917, 0.4797]\n", + " PeriodicSite: Li (2.059, 17.51, 4.866) [0.1013, 0.862, 0.2396]\n", + " PeriodicSite: Li (0.2933, 18.19, 12.36) [0.01443, 0.8953, 0.6083]\n", + " PeriodicSite: Li (9.948, 7.469, 3.659) [0.4898, 0.3677, 0.1801]\n", + " PeriodicSite: Li (15.22, 8.133, 13.23) [0.7492, 0.4004, 0.6512]\n", + " PeriodicSite: Li (13.11, 15.99, 0.7628) [0.6455, 0.787, 0.03756]\n", + " PeriodicSite: Li (11.29, 14.48, 17.31) [0.5559, 0.7129, 0.8521]\n", + " PeriodicSite: Li (5.093, 8.539, 3.394) [0.2507, 0.4204, 0.1671]\n", + " PeriodicSite: Li (19.78, 11.95, 11.39) [0.9738, 0.5884, 0.5608]\n", + " PeriodicSite: Li (0.08432, 17.54, 2.646) [0.004144, 0.8634, 0.1303]\n", + " PeriodicSite: Li (3.153, 19.75, 13.63) [0.1552, 0.9724, 0.6712]\n", + " PeriodicSite: Li (16.38, 10.54, 3.051) [0.8063, 0.5191, 0.1502]\n", + " PeriodicSite: Li (12.94, 6.722, 10.57) [0.6372, 0.3309, 0.5202]\n", + " PeriodicSite: Li (12.53, 19.43, 0.3294) [0.617, 0.9565, 0.01622]\n", + " PeriodicSite: Li (13.79, 17.22, 9.801) [0.6791, 0.8479, 0.4825]\n", + " PeriodicSite: Li (2.743, 2.841, 0.1334) [0.1351, 0.1398, 0.006568]\n", + " PeriodicSite: Li (5.134, 9.018, 13.58) [0.2528, 0.444, 0.6685]\n", + " PeriodicSite: Li (3.729, 19.5, 2.975) [0.1836, 0.9602, 0.1465]\n", + " PeriodicSite: Li (1.889, 15.12, 13.27) [0.09298, 0.7445, 0.6533]\n", + " PeriodicSite: Li (13.06, 9.569, 4.334) [0.6428, 0.4711, 0.2134]\n", + " PeriodicSite: Li (14.33, 5.374, 12.38) [0.7054, 0.2646, 0.6094]\n", + " PeriodicSite: Li (14.94, 17.66, 1.937) [0.7355, 0.8695, 0.09534]\n", + " PeriodicSite: Li (18.12, 2.343, 14.58) [0.8921, 0.1153, 0.7177]\n", + " PeriodicSite: Li (8.886, 4.029, 3.17) [0.4375, 0.1983, 0.1561]\n", + " PeriodicSite: Li (9.67, 2.7, 13.2) [0.4761, 0.1329, 0.6496]\n", + " PeriodicSite: Li (5.307, 11.91, 3.878) [0.2612, 0.5865, 0.1909]\n", + " PeriodicSite: Li (3.161, 11.6, 15.35) [0.1556, 0.5709, 0.7559]\n", + " PeriodicSite: Li (16.25, 1.933, 4.744) [0.7998, 0.09514, 0.2335]\n", + " PeriodicSite: Li (13.02, 3.534, 10.07) [0.6408, 0.174, 0.4956]\n", + " PeriodicSite: Li (18.61, 12.29, 0.3211) [0.9164, 0.6049, 0.01581]\n", + " PeriodicSite: Li (17.61, 10.05, 12.86) [0.8668, 0.4948, 0.6334]\n", + " PeriodicSite: Li (5.635, 18.48, 6.364) [0.2774, 0.9099, 0.3133]\n", + " PeriodicSite: Li (6.46, 2.325, 15.25) [0.318, 0.1144, 0.7506]\n", + " PeriodicSite: Li (7.102, 13.85, 0.08637) [0.3496, 0.682, 0.004255]\n", + " PeriodicSite: Li (9.943, 13.02, 13.69) [0.4895, 0.6409, 0.6741]\n", + " PeriodicSite: Li (13.66, 19.84, 2.736) [0.6727, 0.9767, 0.1347]\n", + " PeriodicSite: Li (19.37, 1.916, 11.46) [0.9538, 0.09431, 0.5642]\n", + " PeriodicSite: Li (17.71, 14.92, 1.343) [0.872, 0.7346, 0.06611]\n", + " PeriodicSite: Li (16.82, 14.44, 12.3) [0.8279, 0.711, 0.6053]\n", + " PeriodicSite: Li (7.728, 6.296, 5.619) [0.3805, 0.31, 0.2767]\n", + " PeriodicSite: Li (7.247, 0.2371, 14.1) [0.3568, 0.01167, 0.694]\n", + " PeriodicSite: Li (10.03, 12.65, 2.37) [0.4939, 0.623, 0.1167]\n", + " PeriodicSite: Li (5.416, 12.9, 11.85) [0.2666, 0.635, 0.5833]\n", + " PeriodicSite: Li (19.79, 3.362, 3.264) [0.974, 0.1655, 0.1607]\n", + " PeriodicSite: Li (19.79, 6.059, 13.34) [0.9743, 0.2983, 0.6568]\n", + " PeriodicSite: Li (15.52, 13.03, 1.346) [0.7641, 0.6416, 0.06629]\n", + " PeriodicSite: Li (15.54, 12.05, 13.36) [0.7651, 0.5931, 0.658]\n", + " PeriodicSite: Li (3.352, 20.09, 7.167) [0.165, 0.9892, 0.3529]\n", + " PeriodicSite: Li (5.033, 2.294, 13.26) [0.2478, 0.113, 0.6529]\n", + " PeriodicSite: Li (5.264, 13.5, 1.706) [0.2591, 0.6646, 0.08399]\n", + " PeriodicSite: Li (8.263, 6.62, 15.41) [0.4068, 0.3259, 0.7585]\n", + " PeriodicSite: Li (17.18, 5.228, 1.856) [0.8456, 0.2574, 0.09138]\n", + " PeriodicSite: Li (16.99, 19.61, 13.4) [0.8363, 0.9656, 0.6599]\n", + " PeriodicSite: Li (16.06, 14.59, 18.13) [0.7908, 0.7181, 0.8926]\n", + " PeriodicSite: Li (17.19, 13.17, 10.08) [0.8462, 0.6482, 0.4961]\n", + " PeriodicSite: Li (7.261, 2.946, 0.08619) [0.3574, 0.145, 0.004246]\n", + " PeriodicSite: Li (6.489, 3.189, 10.44) [0.3194, 0.157, 0.5138]\n", + " PeriodicSite: Li (8.017, 10.54, 2.493) [0.3947, 0.5189, 0.1227]\n", + " PeriodicSite: Li (8.278, 10.08, 11.99) [0.4075, 0.4964, 0.5901]\n", + " PeriodicSite: Li (15.13, 3.279, 1.755) [0.7448, 0.1614, 0.0864]\n", + " PeriodicSite: Li (15.73, 2.709, 10.75) [0.7744, 0.1334, 0.5291]\n", + " PeriodicSite: Li (0.5968, 10.79, 18.14) [0.02938, 0.5314, 0.8933]\n", + " PeriodicSite: Li (18.9, 12.95, 14.28) [0.9307, 0.6374, 0.7029]\n", + " PeriodicSite: Li (10.27, 1.668, 1.533) [0.5056, 0.08213, 0.07545]\n", + " PeriodicSite: Li (7.804, 0.6947, 11.21) [0.3842, 0.0342, 0.5518]\n", + " PeriodicSite: Li (7.984, 13.64, 4.629) [0.3931, 0.6717, 0.2279]\n", + " PeriodicSite: Li (4.699, 16.05, 12.7) [0.2313, 0.7901, 0.6251]\n", + " PeriodicSite: Li (17.16, 2.925, 0.05915) [0.845, 0.144, 0.002917]\n", + " PeriodicSite: Li (2.555, 7.179, 14.81) [0.1258, 0.3534, 0.729]\n", + " PeriodicSite: Li (4.701, 14.25, 8.154) [0.2314, 0.7016, 0.4014]\n", + " PeriodicSite: Li (14.2, 13.0, 9.775) [0.6993, 0.6399, 0.4812]\n", + " PeriodicSite: Li (13.62, 10.62, 6.952) [0.6705, 0.5229, 0.3423]\n", + " PeriodicSite: Li (5.235, 8.149, 17.17) [0.2577, 0.4012, 0.8454]\n", + " PeriodicSite: Li (7.627, 14.83, 11.1) [0.3755, 0.7301, 0.5464]\n", + " PeriodicSite: Li (4.627, 14.78, 18.06) [0.2278, 0.7275, 0.8893]\n", + " PeriodicSite: Li (16.11, 9.508, 7.385) [0.793, 0.4681, 0.3636]\n", + " PeriodicSite: Li (2.918, 4.761, 18.76) [0.1437, 0.2344, 0.9234]\n", + " PeriodicSite: Li (17.76, 18.41, 5.164) [0.8745, 0.9061, 0.2542]\n", + " PeriodicSite: Li (19.98, 18.58, 18.33) [0.9835, 0.9146, 0.9026]\n", + " PeriodicSite: Li (6.988, 10.44, 6.144) [0.344, 0.5142, 0.3025]\n", + " PeriodicSite: Li (9.19, 5.58, 17.71) [0.4524, 0.2747, 0.872]\n", + " PeriodicSite: Li (7.855, 20.03, 7.898) [0.3867, 0.986, 0.3888]\n", + " PeriodicSite: Li (8.466, 16.46, 15.88) [0.4168, 0.8104, 0.7817]\n", + " PeriodicSite: Li (18.71, 8.791, 9.452) [0.9214, 0.4328, 0.4653]\n", + " PeriodicSite: Li (17.06, 5.868, 19.48) [0.8401, 0.2889, 0.959]\n", + " PeriodicSite: Li (17.94, 20.27, 7.727) [0.8834, 0.998, 0.3804]\n", + " PeriodicSite: Li (18.59, 16.25, 15.56) [0.9152, 0.7998, 0.766]\n", + " PeriodicSite: Li (5.792, 5.785, 8.78) [0.2851, 0.2848, 0.4322]\n", + " PeriodicSite: Li (6.522, 5.697, 18.93) [0.3211, 0.2805, 0.932]\n", + " PeriodicSite: Li (9.682, 17.94, 9.021) [0.4767, 0.883, 0.4441]\n", + " PeriodicSite: Li (12.54, 13.65, 15.18) [0.6176, 0.6718, 0.7475]\n", + " PeriodicSite: Li (19.87, 7.281, 6.934) [0.9784, 0.3584, 0.3414]\n", + " PeriodicSite: Li (20.11, 7.134, 16.92) [0.9902, 0.3512, 0.833]\n", + " PeriodicSite: Li (17.2, 17.06, 10.0) [0.8469, 0.84, 0.4925]\n", + " PeriodicSite: Li (17.18, 17.26, 19.92) [0.846, 0.8495, 0.9807]\n", + " PeriodicSite: Li (8.951, 7.969, 9.796) [0.4407, 0.3923, 0.4823]\n", + " PeriodicSite: Li (5.299, 4.411, 2.2) [0.2609, 0.2172, 0.1083]\n", + " PeriodicSite: Li (6.247, 17.27, 10.01) [0.3075, 0.8503, 0.4929]\n", + " PeriodicSite: Li (8.035, 15.31, 2.965) [0.3956, 0.7538, 0.146]\n", + " PeriodicSite: Li (15.16, 6.911, 8.201) [0.7465, 0.3402, 0.4037]\n", + " PeriodicSite: Li (17.94, 8.76, 19.99) [0.8834, 0.4313, 0.9841]\n", + " PeriodicSite: Li (15.62, 18.99, 6.851) [0.769, 0.935, 0.3373]\n", + " PeriodicSite: Li (15.47, 17.77, 15.49) [0.7617, 0.8749, 0.7628]\n", + " PeriodicSite: Li (6.691, 4.735, 12.35) [0.3294, 0.2331, 0.608]\n", + " PeriodicSite: Li (8.286, 9.987, 18.73) [0.4079, 0.4917, 0.922]\n", + " PeriodicSite: Li (8.879, 17.97, 5.521) [0.4371, 0.8845, 0.2718]\n", + " PeriodicSite: Li (10.32, 18.37, 2.147) [0.5081, 0.9044, 0.1057]\n", + " PeriodicSite: Li (16.68, 8.405, 5.19) [0.8211, 0.4138, 0.2555]\n", + " PeriodicSite: Li (14.22, 6.429, 18.85) [0.7003, 0.3165, 0.9282]\n", + " PeriodicSite: Li (20.27, 17.72, 7.658) [0.998, 0.8722, 0.377]\n", + " PeriodicSite: Li (18.45, 0.3569, 1.502) [0.9082, 0.01756, 0.07393]\n", + " PeriodicSite: Li (2.604, 9.031, 4.844) [0.1282, 0.4446, 0.2385]\n", + " PeriodicSite: Li (9.327, 7.847, 20.01) [0.4592, 0.3863, 0.9851]\n", + " PeriodicSite: Li (7.432, 15.47, 7.96) [0.3659, 0.7614, 0.3919]\n", + " PeriodicSite: Li (6.795, 19.9, 17.08) [0.3345, 0.9798, 0.8406]\n", + " PeriodicSite: Li (18.05, 5.702, 5.697) [0.8886, 0.2807, 0.2805]\n", + " PeriodicSite: Li (16.98, 11.12, 16.39) [0.836, 0.5472, 0.8071]\n", + " PeriodicSite: Li (1.574, 14.96, 3.143) [0.07751, 0.7364, 0.1547]\n", + " PeriodicSite: Li (15.27, 1.976, 14.17) [0.7517, 0.09727, 0.6974]\n", + " PeriodicSite: Cl (7.881, 12.43, 12.66) [0.388, 0.6121, 0.6231]\n", + " PeriodicSite: Cl (2.715, 12.84, 17.76) [0.1337, 0.6321, 0.8743]\n", + " PeriodicSite: Cl (12.74, 17.42, 11.99) [0.6274, 0.8577, 0.5904]\n", + " PeriodicSite: Cl (17.36, 7.689, 17.97) [0.8547, 0.3786, 0.8846]\n", + " PeriodicSite: Cl (7.896, 2.336, 2.23) [0.3887, 0.115, 0.1098]\n", + " PeriodicSite: Cl (7.361, 7.51, 7.792) [0.3624, 0.3697, 0.3836]\n", + " PeriodicSite: Cl (12.86, 12.98, 7.641) [0.6331, 0.6389, 0.3762]\n", + " PeriodicSite: Cl (2.691, 7.884, 2.494) [0.1325, 0.3881, 0.1228]\n", + " PeriodicSite: Cl (2.863, 7.501, 12.64) [0.141, 0.3693, 0.6221]\n", + " PeriodicSite: Cl (12.84, 12.81, 17.48) [0.632, 0.6305, 0.8603]\n", + " PeriodicSite: Cl (17.56, 17.86, 17.53) [0.8647, 0.879, 0.8629]\n", + " PeriodicSite: Cl (2.841, 2.006, 8.059) [0.1399, 0.09876, 0.3968]\n", + " PeriodicSite: Cl (13.18, 3.093, 17.8) [0.6489, 0.1522, 0.8764]\n", + " PeriodicSite: Cl (12.2, 7.993, 2.62) [0.6005, 0.3935, 0.129]\n", + " PeriodicSite: Cl (17.09, 1.609, 12.64) [0.8416, 0.07919, 0.6221]\n", + " PeriodicSite: Cl (7.684, 17.86, 17.63) [0.3783, 0.8793, 0.8681]\n", + " PeriodicSite: Cl (0.3255, 20.2, 19.94) [0.01602, 0.9947, 0.9814]\n", + " PeriodicSite: Cl (0.1187, 0.03866, 10.46) [0.005848, 0.001904, 0.5148]\n", + " PeriodicSite: Cl (20.28, 10.63, 0.1873) [0.9986, 0.5231, 0.009225]\n", + " PeriodicSite: Cl (0.05367, 10.65, 9.918) [0.00264, 0.5245, 0.4883]\n", + " PeriodicSite: Cl (10.2, 20.23, 0.2518) [0.5019, 0.9958, 0.0124]\n", + " PeriodicSite: Cl (9.722, 0.1768, 9.646) [0.4786, 0.008702, 0.4749]\n", + " PeriodicSite: Cl (9.966, 9.813, 0.3525) [0.4906, 0.4831, 0.01736]\n", + " PeriodicSite: Cl (9.947, 10.44, 10.18) [0.4897, 0.5138, 0.5014]\n", + " PeriodicSite: Cl (20.24, 5.478, 4.673) [0.9965, 0.2697, 0.23]\n", + " PeriodicSite: Cl (0.1203, 5.332, 15.32) [0.005924, 0.2625, 0.7542]\n", + " PeriodicSite: Cl (0.1548, 15.87, 5.14) [0.007613, 0.7811, 0.253]\n", + " PeriodicSite: Cl (0.2377, 15.21, 15.13) [0.0117, 0.7489, 0.7448]\n", + " PeriodicSite: Cl (10.15, 5.544, 5.282) [0.4998, 0.2729, 0.26]\n", + " PeriodicSite: Cl (10.3, 4.906, 15.34) [0.5069, 0.2415, 0.7553]\n", + " PeriodicSite: Cl (9.616, 15.52, 4.873) [0.4734, 0.7641, 0.2399]\n", + " PeriodicSite: Cl (10.45, 14.89, 15.38) [0.5146, 0.7329, 0.7572]\n", + " PeriodicSite: S (4.776, 0.02647, 5.437) [0.2351, 0.001301, 0.2677]\n", + " PeriodicSite: S (5.042, 0.4269, 14.87) [0.2482, 0.02102, 0.7319]\n", + " PeriodicSite: S (4.655, 10.03, 5.13) [0.2292, 0.4937, 0.2526]\n", + " PeriodicSite: S (5.16, 9.905, 15.72) [0.254, 0.4876, 0.7738]\n", + " PeriodicSite: S (14.67, 0.2136, 5.097) [0.7221, 0.01051, 0.2509]\n", + " PeriodicSite: S (15.04, 20.05, 14.98) [0.7403, 0.9872, 0.7374]\n", + " PeriodicSite: S (15.37, 10.42, 5.405) [0.7565, 0.5131, 0.2661]\n", + " PeriodicSite: S (15.78, 9.977, 14.75) [0.7766, 0.4912, 0.7262]\n", + " PeriodicSite: S (4.797, 4.864, 0.05619) [0.2362, 0.2395, 0.002768]\n", + " PeriodicSite: S (4.864, 4.962, 10.57) [0.2395, 0.2443, 0.5206]\n", + " PeriodicSite: S (5.016, 15.33, 0.03839) [0.2469, 0.7548, 0.001893]\n", + " PeriodicSite: S (5.066, 15.1, 10.53) [0.2494, 0.7434, 0.5182]\n", + " PeriodicSite: S (15.1, 4.947, 0.2199) [0.7436, 0.2435, 0.01083]\n", + " PeriodicSite: S (14.77, 5.109, 9.846) [0.7273, 0.2515, 0.4847]\n", + " PeriodicSite: S (15.31, 15.35, 0.03254) [0.7536, 0.7558, 0.001608]\n", + " PeriodicSite: S (15.34, 15.18, 9.979) [0.755, 0.7471, 0.4913]\n", + " PeriodicSite: S (8.585, 3.787, 9.062) [0.4226, 0.1864, 0.4461]\n", + " PeriodicSite: S (9.275, 3.556, 19.01) [0.4566, 0.1751, 0.9361]\n", + " PeriodicSite: S (9.143, 13.97, 9.024) [0.4501, 0.6876, 0.4443]\n", + " PeriodicSite: S (8.945, 14.06, 18.88) [0.4404, 0.6923, 0.9294]\n", + " PeriodicSite: S (18.78, 3.748, 9.718) [0.9248, 0.1845, 0.4784]\n", + " PeriodicSite: S (19.12, 4.122, 19.32) [0.9411, 0.2029, 0.951]\n", + " PeriodicSite: S (19.24, 14.22, 8.755) [0.9474, 0.6999, 0.431]\n", + " PeriodicSite: S (18.83, 14.58, 18.7) [0.9271, 0.7176, 0.9209]\n", + " PeriodicSite: S (3.564, 0.8457, 1.319) [0.1754, 0.04163, 0.06492]\n", + " PeriodicSite: S (3.529, 0.8347, 11.62) [0.1737, 0.04109, 0.572]\n", + " PeriodicSite: S (3.754, 11.75, 1.141) [0.1848, 0.5784, 0.05617]\n", + " PeriodicSite: S (4.131, 11.02, 11.41) [0.2034, 0.5425, 0.5618]\n", + " PeriodicSite: S (14.01, 1.207, 0.9042) [0.6895, 0.05943, 0.04452]\n", + " PeriodicSite: S (13.71, 1.151, 11.27) [0.6749, 0.05667, 0.5549]\n", + " PeriodicSite: S (14.02, 11.38, 1.177) [0.6903, 0.5601, 0.05795]\n", + " PeriodicSite: S (13.94, 11.13, 11.7) [0.6862, 0.548, 0.5758]\n", + " PeriodicSite: S (6.056, 1.095, 9.399) [0.2982, 0.05393, 0.4627]\n", + " PeriodicSite: S (6.16, 0.8644, 19.34) [0.3033, 0.04256, 0.9519]\n", + " PeriodicSite: S (6.396, 11.28, 8.706) [0.3149, 0.5554, 0.4286]\n", + " PeriodicSite: S (6.268, 11.67, 19.2) [0.3086, 0.5746, 0.9453]\n", + " PeriodicSite: S (16.12, 1.526, 8.989) [0.7938, 0.07513, 0.4425]\n", + " PeriodicSite: S (16.39, 1.198, 18.98) [0.8071, 0.05898, 0.9344]\n", + " PeriodicSite: S (15.79, 11.25, 8.859) [0.7776, 0.5539, 0.4362]\n", + " PeriodicSite: S (16.54, 11.55, 18.88) [0.8141, 0.5686, 0.9294]\n", + " PeriodicSite: S (1.298, 4.36, 1.564) [0.06389, 0.2146, 0.07698]\n", + " PeriodicSite: S (0.8313, 4.276, 11.91) [0.04093, 0.2105, 0.5861]\n", + " PeriodicSite: S (0.6672, 14.09, 1.013) [0.03284, 0.6938, 0.04986]\n", + " PeriodicSite: S (1.116, 13.97, 11.33) [0.05492, 0.6877, 0.5578]\n", + " PeriodicSite: S (11.29, 3.778, 1.415) [0.556, 0.186, 0.06967]\n", + " PeriodicSite: S (11.0, 3.837, 11.61) [0.5418, 0.1889, 0.5717]\n", + " PeriodicSite: S (11.43, 14.13, 1.212) [0.5628, 0.6955, 0.05968]\n", + " PeriodicSite: S (12.02, 14.01, 11.02) [0.5919, 0.6897, 0.5427]\n", + " PeriodicSite: S (2.487, 2.504, 17.84) [0.1224, 0.1233, 0.8782]\n", + " PeriodicSite: S (2.368, 12.78, 7.872) [0.1166, 0.6291, 0.3875]\n", + " PeriodicSite: S (12.37, 2.541, 7.722) [0.6088, 0.1251, 0.3801]\n", + " PeriodicSite: S (8.701, 9.368, 4.444) [0.4284, 0.4612, 0.2188]\n", + " PeriodicSite: S (9.205, 8.624, 13.91) [0.4532, 0.4246, 0.6847]\n", + " PeriodicSite: S (8.702, 19.39, 3.646) [0.4284, 0.9545, 0.1795]\n", + " PeriodicSite: S (9.276, 18.96, 14.33) [0.4566, 0.9336, 0.7053]\n", + " PeriodicSite: S (18.85, 9.199, 3.814) [0.928, 0.4529, 0.1878]\n", + " PeriodicSite: S (19.1, 8.607, 14.39) [0.9404, 0.4237, 0.7086]\n", + " PeriodicSite: S (19.13, 19.56, 3.638) [0.9419, 0.9628, 0.1791]\n", + " PeriodicSite: S (19.27, 18.54, 14.23) [0.9485, 0.9127, 0.7007]\n", + " PeriodicSite: S (4.007, 6.536, 6.338) [0.1973, 0.3218, 0.3121]\n", + " PeriodicSite: S (3.305, 6.112, 16.68) [0.1627, 0.3009, 0.8211]\n", + " PeriodicSite: S (3.675, 16.18, 6.264) [0.1809, 0.7966, 0.3084]\n", + " PeriodicSite: S (4.16, 16.42, 16.26) [0.2048, 0.8085, 0.8007]\n", + " PeriodicSite: S (13.75, 6.565, 6.066) [0.6769, 0.3232, 0.2987]\n", + " PeriodicSite: S (14.33, 6.382, 16.43) [0.7054, 0.3142, 0.8089]\n", + " PeriodicSite: S (14.32, 16.64, 6.042) [0.7051, 0.819, 0.2975]\n", + " PeriodicSite: S (14.39, 15.76, 16.5) [0.7085, 0.7761, 0.8125]\n", + " PeriodicSite: S (6.13, 6.296, 3.714) [0.3018, 0.31, 0.1828]\n", + " PeriodicSite: S (6.047, 6.273, 14.4) [0.2977, 0.3088, 0.709]\n", + " PeriodicSite: S (6.289, 16.42, 4.198) [0.3096, 0.8086, 0.2067]\n", + " PeriodicSite: S (6.75, 16.37, 14.34) [0.3323, 0.8061, 0.706]\n", + " PeriodicSite: S (16.02, 6.406, 3.704) [0.7885, 0.3154, 0.1823]\n", + " PeriodicSite: S (16.32, 5.957, 13.9) [0.8037, 0.2933, 0.6843]\n", + " PeriodicSite: S (16.63, 16.57, 3.628) [0.8185, 0.8155, 0.1786]\n", + " PeriodicSite: S (16.65, 16.43, 14.03) [0.8196, 0.8089, 0.6908]\n", + " PeriodicSite: S (1.091, 9.142, 6.395) [0.05369, 0.4501, 0.3148]\n", + " PeriodicSite: S (1.541, 9.144, 16.2) [0.07585, 0.4502, 0.7974]\n", + " PeriodicSite: S (0.9719, 19.4, 6.261) [0.04784, 0.9552, 0.3082]\n", + " PeriodicSite: S (1.498, 18.98, 16.51) [0.07374, 0.9344, 0.8129]\n", + " PeriodicSite: S (11.44, 9.325, 6.305) [0.5631, 0.4591, 0.3104]\n", + " PeriodicSite: S (11.49, 8.723, 16.51) [0.5657, 0.4294, 0.8128]\n", + " PeriodicSite: S (11.16, 19.18, 6.067) [0.5494, 0.9441, 0.2987]\n", + " PeriodicSite: S (11.14, 19.7, 17.14) [0.5485, 0.97, 0.844]\n", + " PeriodicSite: S (2.513, 17.41, 2.584) [0.1237, 0.8571, 0.1272]\n", + " PeriodicSite: S (2.713, 17.61, 12.93) [0.1336, 0.8671, 0.6368]\n", + " PeriodicSite: S (12.73, 7.369, 12.84) [0.6265, 0.3628, 0.6321]\n", + " PeriodicSite: S (12.66, 17.86, 2.342) [0.6234, 0.8792, 0.1153]\n", + " PeriodicSite: S (3.596, 3.967, 4.054) [0.1771, 0.1953, 0.1996]\n", + " PeriodicSite: S (3.834, 3.904, 14.34) [0.1887, 0.1922, 0.7062]\n", + " PeriodicSite: S (3.938, 13.79, 3.867) [0.1939, 0.6787, 0.1904]\n", + " PeriodicSite: S (4.241, 13.87, 13.9) [0.2088, 0.6827, 0.6842]\n", + " PeriodicSite: S (13.8, 4.191, 3.8) [0.6795, 0.2063, 0.1871]\n", + " PeriodicSite: S (13.69, 3.888, 14.38) [0.6742, 0.1914, 0.708]\n", + " PeriodicSite: S (13.92, 14.33, 3.637) [0.6852, 0.7053, 0.1791]\n", + " PeriodicSite: S (14.41, 13.93, 13.83) [0.7097, 0.686, 0.6811]\n", + " PeriodicSite: S (8.709, 1.29, 6.211) [0.4288, 0.06353, 0.3058]\n", + " PeriodicSite: S (8.465, 1.112, 16.24) [0.4168, 0.05476, 0.7995]\n", + " PeriodicSite: S (9.278, 12.0, 6.094) [0.4568, 0.5906, 0.3]\n", + " PeriodicSite: S (9.134, 11.23, 16.35) [0.4497, 0.553, 0.8047]\n", + " PeriodicSite: S (18.96, 1.414, 6.116) [0.9334, 0.06959, 0.3011]\n", + " PeriodicSite: S (19.22, 0.8723, 16.18) [0.9462, 0.04294, 0.7966]\n", + " PeriodicSite: S (18.96, 11.29, 6.064) [0.9334, 0.5559, 0.2986]\n", + " PeriodicSite: S (19.5, 11.39, 16.26) [0.9598, 0.5609, 0.8006]\n", + " PeriodicSite: S (1.115, 1.471, 3.779) [0.05491, 0.07243, 0.1861]\n", + " PeriodicSite: S (1.157, 0.9697, 14.05) [0.05699, 0.04774, 0.6915]\n", + " PeriodicSite: S (1.232, 11.25, 3.895) [0.06065, 0.554, 0.1918]\n", + " PeriodicSite: S (1.184, 11.18, 13.54) [0.05826, 0.5506, 0.6665]\n", + " PeriodicSite: S (11.15, 1.507, 3.818) [0.5487, 0.07418, 0.188]\n", + " PeriodicSite: S (11.51, 1.306, 14.37) [0.5665, 0.06431, 0.7074]\n", + " PeriodicSite: S (11.37, 11.37, 3.702) [0.5599, 0.5598, 0.1823]\n", + " PeriodicSite: S (11.41, 11.25, 14.08) [0.562, 0.5537, 0.6933]\n", + " PeriodicSite: S (6.45, 4.148, 6.246) [0.3176, 0.2042, 0.3075]\n", + " PeriodicSite: S (5.956, 4.163, 16.8) [0.2932, 0.2049, 0.8269]\n", + " PeriodicSite: S (6.149, 14.01, 6.455) [0.3027, 0.6895, 0.3178]\n", + " PeriodicSite: S (6.4, 13.94, 16.65) [0.3151, 0.6862, 0.8196]\n", + " PeriodicSite: S (16.01, 4.012, 6.28) [0.788, 0.1975, 0.3092]\n", + " PeriodicSite: S (16.56, 3.918, 16.35) [0.8153, 0.1929, 0.8051]\n", + " PeriodicSite: S (16.27, 14.03, 6.071) [0.8009, 0.6905, 0.2989]\n", + " PeriodicSite: S (17.22, 13.87, 16.03) [0.8476, 0.6829, 0.789]\n", + " PeriodicSite: S (7.418, 2.531, 12.86) [0.3652, 0.1246, 0.6331]\n", + " PeriodicSite: S (7.613, 13.07, 2.288) [0.3748, 0.6432, 0.1127]\n", + " PeriodicSite: S (17.33, 2.774, 2.31) [0.8532, 0.1366, 0.1137]\n", + " PeriodicSite: S (17.63, 12.51, 2.349) [0.8681, 0.6157, 0.1157]\n", + " PeriodicSite: S (17.7, 12.38, 12.36) [0.8712, 0.6095, 0.6087]\n", + " PeriodicSite: S (4.081, 8.949, 8.965) [0.2009, 0.4406, 0.4414]\n", + " PeriodicSite: S (3.948, 9.155, 19.45) [0.1944, 0.4507, 0.9573]\n", + " PeriodicSite: S (4.098, 18.92, 9.111) [0.2017, 0.9313, 0.4485]\n", + " PeriodicSite: S (3.697, 18.89, 19.17) [0.182, 0.9299, 0.9437]\n", + " PeriodicSite: S (13.8, 8.889, 9.203) [0.6794, 0.4376, 0.4531]\n", + " PeriodicSite: S (13.98, 9.231, 18.94) [0.6883, 0.4544, 0.9324]\n", + " PeriodicSite: S (13.79, 19.39, 8.882) [0.6788, 0.9548, 0.4373]\n", + " PeriodicSite: S (13.99, 19.17, 18.81) [0.6888, 0.9438, 0.9261]\n", + " PeriodicSite: S (8.792, 5.938, 1.507) [0.4328, 0.2923, 0.07419]\n", + " PeriodicSite: S (8.668, 6.222, 11.5) [0.4268, 0.3063, 0.5663]\n", + " PeriodicSite: S (8.978, 16.34, 0.9667) [0.442, 0.8043, 0.04759]\n", + " PeriodicSite: S (9.386, 16.45, 11.3) [0.4621, 0.8098, 0.5565]\n", + " PeriodicSite: S (19.11, 6.638, 1.232) [0.9407, 0.3268, 0.06066]\n", + " PeriodicSite: S (19.06, 6.76, 11.09) [0.9382, 0.3328, 0.5458]\n", + " PeriodicSite: S (19.12, 16.78, 1.003) [0.9413, 0.8259, 0.04938]\n", + " PeriodicSite: S (19.32, 16.51, 11.31) [0.951, 0.8127, 0.557]\n", + " PeriodicSite: S (0.8947, 5.493, 8.543) [0.04405, 0.2704, 0.4206]\n", + " PeriodicSite: S (1.194, 6.621, 19.22) [0.05877, 0.326, 0.9463]\n", + " PeriodicSite: S (1.58, 16.37, 9.134) [0.07778, 0.8061, 0.4497]\n", + " PeriodicSite: S (1.144, 16.71, 19.08) [0.0563, 0.8225, 0.9394]\n", + " PeriodicSite: S (10.71, 6.14, 9.111) [0.5273, 0.3023, 0.4485]\n", + " PeriodicSite: S (11.15, 6.315, 19.31) [0.549, 0.3109, 0.9505]\n", + " PeriodicSite: S (11.58, 16.17, 8.637) [0.5701, 0.7963, 0.4252]\n", + " PeriodicSite: S (11.55, 16.33, 19.07) [0.5685, 0.8038, 0.9389]\n", + " PeriodicSite: S (6.317, 9.396, 1.502) [0.311, 0.4626, 0.07393]\n", + " PeriodicSite: S (6.521, 8.809, 11.08) [0.321, 0.4337, 0.5455]\n", + " PeriodicSite: S (6.026, 18.86, 1.432) [0.2967, 0.9286, 0.07048]\n", + " PeriodicSite: S (6.258, 19.01, 11.84) [0.3081, 0.9356, 0.583]\n", + " PeriodicSite: S (16.22, 8.992, 1.007) [0.7986, 0.4427, 0.04959]\n", + " PeriodicSite: S (16.49, 8.447, 11.23) [0.8119, 0.4158, 0.5527]\n", + " PeriodicSite: S (16.36, 19.16, 0.8898) [0.8054, 0.9434, 0.04381]\n", + " PeriodicSite: S (15.97, 18.9, 11.07) [0.7864, 0.9304, 0.5451]\n", + " PeriodicSite: S (7.666, 7.577, 17.81) [0.3774, 0.373, 0.8767]\n", + " PeriodicSite: S (7.394, 17.81, 7.864) [0.364, 0.8766, 0.3872]\n", + " PeriodicSite: S (17.48, 7.293, 7.533) [0.8604, 0.359, 0.3709]\n", + " PeriodicSite: S (17.82, 18.07, 7.701) [0.8771, 0.8896, 0.3791]\n", + " PeriodicSite: P (4.919, 19.96, 0.1975) [0.2422, 0.9827, 0.009728]\n", + " PeriodicSite: P (5.008, 20.1, 10.53) [0.2466, 0.9895, 0.5183]\n", + " PeriodicSite: P (5.236, 10.46, 0.08127) [0.2577, 0.5148, 0.004003]\n", + " PeriodicSite: P (5.367, 10.12, 10.05) [0.2642, 0.4983, 0.4947]\n", + " PeriodicSite: P (15.21, 0.05423, 20.05) [0.7489, 0.002664, 0.9871]\n", + " PeriodicSite: P (15.04, 0.09747, 10.01) [0.7402, 0.004793, 0.493]\n", + " PeriodicSite: P (15.36, 10.29, 20.1) [0.756, 0.5065, 0.9895]\n", + " PeriodicSite: P (15.22, 9.877, 10.35) [0.7494, 0.4863, 0.5095]\n", + " PeriodicSite: P (5.093, 5.264, 5.185) [0.2507, 0.2591, 0.2552]\n", + " PeriodicSite: P (4.78, 5.272, 15.51) [0.2353, 0.2595, 0.7635]\n", + " PeriodicSite: P (5.03, 15.2, 5.093) [0.2476, 0.7482, 0.2507]\n", + " PeriodicSite: P (5.387, 15.1, 15.29) [0.2652, 0.7435, 0.753]\n", + " PeriodicSite: P (15.04, 5.293, 5.011) [0.7404, 0.2606, 0.2467]\n", + " PeriodicSite: P (15.26, 4.978, 15.23) [0.7514, 0.2451, 0.7496]\n", + " PeriodicSite: P (15.3, 15.38, 4.766) [0.7533, 0.7571, 0.2347]\n", + " PeriodicSite: P (15.81, 14.95, 15.13) [0.7785, 0.736, 0.745]\n", + " PeriodicSite: P (20.23, 0.3755, 4.998) [0.9961, 0.01848, 0.2461]\n", + " PeriodicSite: P (0.2112, 19.89, 15.18) [0.01039, 0.9792, 0.7472]\n", + " PeriodicSite: P (20.26, 10.14, 5.085) [0.9973, 0.4993, 0.2503]\n", + " PeriodicSite: P (0.1914, 10.0, 14.99) [0.009424, 0.4924, 0.7379]\n", + " PeriodicSite: P (9.992, 0.1738, 4.9) [0.4919, 0.00855, 0.2412]\n", + " PeriodicSite: P (10.17, 0.1845, 15.46) [0.5006, 0.009081, 0.7609]\n", + " PeriodicSite: P (10.22, 10.47, 5.108) [0.503, 0.5153, 0.2515]\n", + " PeriodicSite: P (10.37, 9.856, 15.14) [0.5107, 0.4852, 0.7454]\n", + " PeriodicSite: P (0.08631, 5.318, 0.1939) [0.004247, 0.2618, 0.009545]\n", + " PeriodicSite: P (20.13, 5.16, 10.29) [0.9911, 0.254, 0.5068]\n", + " PeriodicSite: P (20.13, 15.51, 19.98) [0.9912, 0.7636, 0.9835]\n", + " PeriodicSite: P (0.09175, 15.3, 10.17) [0.004513, 0.7534, 0.5008]\n", + " PeriodicSite: P (10.13, 4.944, 0.06965) [0.4987, 0.2434, 0.003432]\n", + " PeriodicSite: P (9.662, 4.813, 10.29) [0.4757, 0.237, 0.5066]\n", + " PeriodicSite: P (10.09, 15.04, 20.22) [0.4968, 0.7405, 0.9956]\n", + " PeriodicSite: P (10.52, 15.27, 10.12) [0.518, 0.7517, 0.4982],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.017, 5.585, 4.819) [0.09931, 0.2749, 0.2372]\n", + " PeriodicSite: Li (1.988, 4.512, 16.3) [0.09785, 0.2221, 0.8022]\n", + " PeriodicSite: Li (0.3614, 12.09, 7.774) [0.01779, 0.5952, 0.3827]\n", + " PeriodicSite: Li (1.064, 14.47, 17.16) [0.05236, 0.7124, 0.8446]\n", + " PeriodicSite: Li (14.32, 0.8187, 7.307) [0.7048, 0.0403, 0.3597]\n", + " PeriodicSite: Li (11.61, 3.554, 16.5) [0.5717, 0.175, 0.8123]\n", + " PeriodicSite: Li (17.59, 12.7, 4.474) [0.8661, 0.6253, 0.2203]\n", + " PeriodicSite: Li (16.97, 7.864, 15.31) [0.8354, 0.3871, 0.7537]\n", + " PeriodicSite: Li (2.811, 3.556, 9.91) [0.1384, 0.1751, 0.4879]\n", + " PeriodicSite: Li (2.053, 0.5733, 18.49) [0.1011, 0.02822, 0.9103]\n", + " PeriodicSite: Li (5.287, 8.191, 6.804) [0.2603, 0.4033, 0.335]\n", + " PeriodicSite: Li (7.315, 9.59, 15.89) [0.3601, 0.4721, 0.7824]\n", + " PeriodicSite: Li (12.39, 5.232, 7.149) [0.61, 0.2576, 0.352]\n", + " PeriodicSite: Li (13.64, 3.244, 19.91) [0.6718, 0.1597, 0.9802]\n", + " PeriodicSite: Li (11.6, 9.486, 11.55) [0.5709, 0.467, 0.5686]\n", + " PeriodicSite: Li (9.415, 18.08, 18.78) [0.4635, 0.8902, 0.9246]\n", + " PeriodicSite: Li (5.219, 2.175, 7.372) [0.2569, 0.1071, 0.3629]\n", + " PeriodicSite: Li (3.252, 1.723, 15.66) [0.1601, 0.08483, 0.7709]\n", + " PeriodicSite: Li (4.16, 10.83, 7.141) [0.2048, 0.5333, 0.3516]\n", + " PeriodicSite: Li (5.938, 12.34, 14.39) [0.2923, 0.6077, 0.7085]\n", + " PeriodicSite: Li (11.64, 0.9553, 8.958) [0.573, 0.04703, 0.441]\n", + " PeriodicSite: Li (9.71, 1.447, 18.76) [0.478, 0.07122, 0.9235]\n", + " PeriodicSite: Li (15.28, 15.02, 7.779) [0.7524, 0.7397, 0.383]\n", + " PeriodicSite: Li (11.95, 10.56, 17.86) [0.5885, 0.5198, 0.8793]\n", + " PeriodicSite: Li (0.173, 3.201, 7.714) [0.008519, 0.1576, 0.3797]\n", + " PeriodicSite: Li (0.01418, 2.185, 18.54) [0.0007021, 0.1076, 0.9129]\n", + " PeriodicSite: Li (1.365, 14.66, 7.047) [0.06718, 0.7219, 0.3469]\n", + " PeriodicSite: Li (2.88, 13.53, 20.03) [0.1418, 0.6661, 0.986]\n", + " PeriodicSite: Li (13.18, 2.05, 5.431) [0.649, 0.1009, 0.2674]\n", + " PeriodicSite: Li (13.06, 0.1889, 16.37) [0.6429, 0.009295, 0.8061]\n", + " PeriodicSite: Li (10.51, 12.01, 8.868) [0.5173, 0.5913, 0.4366]\n", + " PeriodicSite: Li (14.76, 17.13, 18.56) [0.7267, 0.8434, 0.9136]\n", + " PeriodicSite: Li (7.029, 0.4114, 4.225) [0.346, 0.02025, 0.208]\n", + " PeriodicSite: Li (1.985, 19.47, 1.167) [0.09773, 0.9583, 0.05746]\n", + " PeriodicSite: Li (3.0, 14.33, 9.301) [0.1477, 0.7057, 0.4579]\n", + " PeriodicSite: Li (2.003, 17.08, 15.1) [0.09862, 0.8409, 0.7433]\n", + " PeriodicSite: Li (14.97, 3.377, 8.357) [0.7369, 0.1662, 0.4115]\n", + " PeriodicSite: Li (14.96, 3.378, 17.95) [0.7367, 0.1663, 0.8836]\n", + " PeriodicSite: Li (18.03, 15.83, 6.835) [0.8876, 0.7791, 0.3365]\n", + " PeriodicSite: Li (13.88, 13.6, 19.76) [0.6835, 0.6693, 0.9726]\n", + " PeriodicSite: Li (3.471, 1.708, 4.749) [0.1709, 0.08408, 0.2338]\n", + " PeriodicSite: Li (4.538, 2.658, 18.77) [0.2234, 0.1309, 0.9241]\n", + " PeriodicSite: Li (3.141, 12.57, 5.102) [0.1547, 0.6188, 0.2512]\n", + " PeriodicSite: Li (19.71, 11.74, 1.862) [0.9703, 0.5777, 0.09166]\n", + " PeriodicSite: Li (10.13, 2.639, 7.439) [0.4985, 0.1299, 0.3662]\n", + " PeriodicSite: Li (16.9, 20.1, 16.67) [0.8319, 0.9897, 0.8204]\n", + " PeriodicSite: Li (14.17, 12.22, 4.936) [0.6975, 0.6018, 0.243]\n", + " PeriodicSite: Li (14.55, 8.892, 16.42) [0.7163, 0.4378, 0.8083]\n", + " PeriodicSite: Li (4.757, 11.65, 17.05) [0.2342, 0.5734, 0.8392]\n", + " PeriodicSite: Li (2.322, 10.68, 9.559) [0.1143, 0.5258, 0.4706]\n", + " PeriodicSite: Li (3.469, 17.18, 20.3) [0.1708, 0.8456, 0.9993]\n", + " PeriodicSite: Li (2.06, 0.4125, 9.472) [0.1014, 0.02031, 0.4663]\n", + " PeriodicSite: Li (12.23, 5.845, 4.576) [0.6021, 0.2877, 0.2253]\n", + " PeriodicSite: Li (12.96, 9.608, 13.92) [0.6379, 0.473, 0.6852]\n", + " PeriodicSite: Li (10.86, 14.21, 6.712) [0.5344, 0.6996, 0.3304]\n", + " PeriodicSite: Li (14.44, 19.98, 12.72) [0.7109, 0.9835, 0.6263]\n", + " PeriodicSite: Li (3.326, 6.671, 0.5918) [0.1637, 0.3284, 0.02913]\n", + " PeriodicSite: Li (3.527, 5.436, 12.27) [0.1737, 0.2676, 0.6038]\n", + " PeriodicSite: Li (6.675, 17.1, 19.85) [0.3286, 0.8417, 0.9771]\n", + " PeriodicSite: Li (5.138, 17.77, 15.3) [0.2529, 0.8746, 0.7534]\n", + " PeriodicSite: Li (14.32, 6.003, 2.062) [0.7052, 0.2955, 0.1015]\n", + " PeriodicSite: Li (10.59, 7.041, 12.29) [0.5215, 0.3466, 0.6052]\n", + " PeriodicSite: Li (12.79, 18.3, 4.642) [0.6297, 0.9007, 0.2285]\n", + " PeriodicSite: Li (11.07, 18.13, 13.03) [0.5451, 0.8925, 0.6415]\n", + " PeriodicSite: Li (1.972, 10.08, 1.38) [0.09707, 0.4961, 0.06795]\n", + " PeriodicSite: Li (4.91, 7.06, 10.53) [0.2417, 0.3476, 0.5184]\n", + " PeriodicSite: Li (4.545, 16.24, 2.054) [0.2238, 0.7997, 0.1011]\n", + " PeriodicSite: Li (3.047, 16.7, 10.37) [0.15, 0.822, 0.5107]\n", + " PeriodicSite: Li (12.0, 9.892, 1.984) [0.5906, 0.487, 0.09767]\n", + " PeriodicSite: Li (12.53, 6.833, 14.83) [0.617, 0.3364, 0.7301]\n", + " PeriodicSite: Li (11.9, 15.61, 3.159) [0.5856, 0.7686, 0.1555]\n", + " PeriodicSite: Li (13.97, 15.87, 12.02) [0.6875, 0.7811, 0.5918]\n", + " PeriodicSite: Li (20.3, 6.984, 3.057) [0.9992, 0.3438, 0.1505]\n", + " PeriodicSite: Li (17.1, 6.014, 9.527) [0.8421, 0.2961, 0.469]\n", + " PeriodicSite: Li (2.326, 17.62, 4.759) [0.1145, 0.8673, 0.2343]\n", + " PeriodicSite: Li (0.7416, 18.87, 12.55) [0.0365, 0.9288, 0.6176]\n", + " PeriodicSite: Li (10.1, 7.338, 3.445) [0.4974, 0.3612, 0.1696]\n", + " PeriodicSite: Li (15.21, 8.06, 13.0) [0.7486, 0.3968, 0.64]\n", + " PeriodicSite: Li (12.83, 16.05, 0.5628) [0.6318, 0.7903, 0.02771]\n", + " PeriodicSite: Li (10.87, 14.49, 17.36) [0.5352, 0.7136, 0.8546]\n", + " PeriodicSite: Li (5.32, 8.529, 3.289) [0.2619, 0.4199, 0.1619]\n", + " PeriodicSite: Li (19.91, 11.58, 11.69) [0.9801, 0.5703, 0.5757]\n", + " PeriodicSite: Li (0.2214, 17.39, 2.638) [0.01089, 0.8563, 0.1299]\n", + " PeriodicSite: Li (3.45, 19.48, 13.53) [0.1698, 0.9592, 0.6659]\n", + " PeriodicSite: Li (16.6, 10.65, 2.761) [0.8174, 0.5241, 0.1359]\n", + " PeriodicSite: Li (13.11, 6.695, 10.4) [0.6452, 0.3296, 0.5119]\n", + " PeriodicSite: Li (12.39, 19.47, 0.1125) [0.6099, 0.9583, 0.005543]\n", + " PeriodicSite: Li (13.97, 17.21, 9.96) [0.6879, 0.8474, 0.4903]\n", + " PeriodicSite: Li (3.054, 3.231, 1.295) [0.1504, 0.1591, 0.06375]\n", + " PeriodicSite: Li (4.265, 8.556, 13.96) [0.21, 0.4212, 0.6874]\n", + " PeriodicSite: Li (4.528, 19.15, 3.023) [0.2229, 0.9426, 0.1488]\n", + " PeriodicSite: Li (0.8991, 15.96, 12.78) [0.04426, 0.786, 0.6292]\n", + " PeriodicSite: Li (13.45, 8.656, 5.116) [0.662, 0.4262, 0.2519]\n", + " PeriodicSite: Li (14.3, 5.317, 12.45) [0.704, 0.2617, 0.613]\n", + " PeriodicSite: Li (14.95, 17.61, 1.739) [0.7361, 0.8671, 0.0856]\n", + " PeriodicSite: Li (18.71, 2.994, 15.01) [0.9212, 0.1474, 0.739]\n", + " PeriodicSite: Li (9.582, 4.017, 2.724) [0.4717, 0.1977, 0.1341]\n", + " PeriodicSite: Li (9.609, 2.855, 13.25) [0.4731, 0.1406, 0.6523]\n", + " PeriodicSite: Li (5.839, 11.32, 3.263) [0.2875, 0.5572, 0.1606]\n", + " PeriodicSite: Li (3.332, 11.38, 14.12) [0.164, 0.5603, 0.6951]\n", + " PeriodicSite: Li (17.01, 0.9341, 4.854) [0.8372, 0.04598, 0.239]\n", + " PeriodicSite: Li (12.66, 3.479, 10.01) [0.6233, 0.1713, 0.4926]\n", + " PeriodicSite: Li (18.69, 12.8, 20.17) [0.92, 0.6301, 0.9929]\n", + " PeriodicSite: Li (17.66, 9.787, 13.11) [0.8693, 0.4818, 0.6455]\n", + " PeriodicSite: Li (5.992, 18.32, 6.006) [0.295, 0.9019, 0.2957]\n", + " PeriodicSite: Li (6.566, 2.079, 15.34) [0.3233, 0.1023, 0.7553]\n", + " PeriodicSite: Li (7.156, 13.4, 20.08) [0.3523, 0.6597, 0.9884]\n", + " PeriodicSite: Li (9.869, 13.45, 13.51) [0.4858, 0.662, 0.6652]\n", + " PeriodicSite: Li (13.41, 19.94, 3.102) [0.6603, 0.9816, 0.1527]\n", + " PeriodicSite: Li (19.86, 2.26, 11.75) [0.9778, 0.1113, 0.5783]\n", + " PeriodicSite: Li (17.61, 15.0, 2.093) [0.8667, 0.7385, 0.103]\n", + " PeriodicSite: Li (17.66, 15.02, 12.53) [0.8694, 0.7394, 0.6171]\n", + " PeriodicSite: Li (7.845, 5.706, 6.078) [0.3862, 0.2809, 0.2992]\n", + " PeriodicSite: Li (7.094, 0.07347, 13.58) [0.3493, 0.003615, 0.6684]\n", + " PeriodicSite: Li (9.741, 12.46, 1.978) [0.4795, 0.6135, 0.09739]\n", + " PeriodicSite: Li (5.185, 13.24, 11.42) [0.2553, 0.6517, 0.5621]\n", + " PeriodicSite: Li (19.86, 2.974, 3.126) [0.9776, 0.1464, 0.1539]\n", + " PeriodicSite: Li (0.2062, 6.331, 12.66) [0.01015, 0.3117, 0.6234]\n", + " PeriodicSite: Li (15.18, 13.35, 1.792) [0.7472, 0.6573, 0.08825]\n", + " PeriodicSite: Li (15.54, 11.78, 13.12) [0.7651, 0.5798, 0.6457]\n", + " PeriodicSite: Li (3.461, 20.2, 7.071) [0.1704, 0.9944, 0.3481]\n", + " PeriodicSite: Li (4.921, 1.916, 13.2) [0.2423, 0.09433, 0.6499]\n", + " PeriodicSite: Li (5.45, 13.65, 2.092) [0.2683, 0.6721, 0.103]\n", + " PeriodicSite: Li (8.316, 6.567, 15.45) [0.4094, 0.3233, 0.7607]\n", + " PeriodicSite: Li (17.24, 4.786, 2.072) [0.8489, 0.2356, 0.102]\n", + " PeriodicSite: Li (17.23, 20.17, 13.47) [0.8483, 0.9932, 0.6631]\n", + " PeriodicSite: Li (16.24, 13.81, 18.81) [0.7996, 0.6797, 0.9261]\n", + " PeriodicSite: Li (16.92, 13.21, 10.45) [0.833, 0.6504, 0.5144]\n", + " PeriodicSite: Li (6.911, 3.065, 0.343) [0.3402, 0.1509, 0.01689]\n", + " PeriodicSite: Li (7.098, 3.51, 10.58) [0.3494, 0.1728, 0.5209]\n", + " PeriodicSite: Li (8.078, 10.53, 2.124) [0.3977, 0.5183, 0.1046]\n", + " PeriodicSite: Li (8.126, 10.1, 12.41) [0.4001, 0.4974, 0.6112]\n", + " PeriodicSite: Li (15.41, 2.58, 2.317) [0.7586, 0.127, 0.114]\n", + " PeriodicSite: Li (16.23, 3.061, 10.96) [0.7992, 0.1507, 0.5394]\n", + " PeriodicSite: Li (1.693, 10.87, 18.54) [0.08336, 0.5352, 0.9128]\n", + " PeriodicSite: Li (19.13, 13.17, 14.64) [0.942, 0.6482, 0.7207]\n", + " PeriodicSite: Li (10.08, 1.438, 1.852) [0.4961, 0.0708, 0.09119]\n", + " PeriodicSite: Li (7.981, 0.8822, 11.01) [0.3929, 0.04343, 0.5422]\n", + " PeriodicSite: Li (8.469, 13.42, 5.065) [0.4169, 0.6607, 0.2494]\n", + " PeriodicSite: Li (4.549, 15.92, 12.42) [0.224, 0.7838, 0.6116]\n", + " PeriodicSite: Li (17.38, 2.805, 0.148) [0.8557, 0.1381, 0.007293]\n", + " PeriodicSite: Li (1.848, 7.261, 15.12) [0.09099, 0.3575, 0.7445]\n", + " PeriodicSite: Li (5.153, 13.35, 8.15) [0.2537, 0.6571, 0.4012]\n", + " PeriodicSite: Li (13.54, 13.43, 9.845) [0.6664, 0.661, 0.4847]\n", + " PeriodicSite: Li (14.36, 10.86, 7.312) [0.7071, 0.5347, 0.36]\n", + " PeriodicSite: Li (5.182, 8.704, 17.03) [0.2551, 0.4285, 0.8385]\n", + " PeriodicSite: Li (7.378, 14.69, 11.04) [0.3632, 0.7232, 0.5437]\n", + " PeriodicSite: Li (5.006, 14.86, 18.29) [0.2464, 0.7313, 0.9007]\n", + " PeriodicSite: Li (17.2, 10.41, 6.861) [0.8469, 0.5126, 0.3378]\n", + " PeriodicSite: Li (3.241, 4.874, 18.65) [0.1596, 0.24, 0.9182]\n", + " PeriodicSite: Li (17.53, 18.3, 5.128) [0.8632, 0.9007, 0.2525]\n", + " PeriodicSite: Li (20.13, 18.78, 18.63) [0.9912, 0.9244, 0.9174]\n", + " PeriodicSite: Li (7.065, 10.5, 6.425) [0.3478, 0.517, 0.3163]\n", + " PeriodicSite: Li (9.377, 6.028, 18.11) [0.4616, 0.2968, 0.8914]\n", + " PeriodicSite: Li (7.986, 19.92, 7.819) [0.3932, 0.9807, 0.3849]\n", + " PeriodicSite: Li (8.161, 15.7, 16.33) [0.4018, 0.7732, 0.8038]\n", + " PeriodicSite: Li (18.24, 8.786, 9.281) [0.8979, 0.4325, 0.4569]\n", + " PeriodicSite: Li (17.21, 5.809, 19.26) [0.8473, 0.286, 0.9483]\n", + " PeriodicSite: Li (18.53, 19.86, 8.552) [0.9124, 0.9778, 0.4211]\n", + " PeriodicSite: Li (18.62, 16.09, 16.35) [0.9166, 0.7919, 0.8048]\n", + " PeriodicSite: Li (6.108, 5.256, 8.605) [0.3007, 0.2588, 0.4236]\n", + " PeriodicSite: Li (6.466, 5.47, 18.91) [0.3183, 0.2693, 0.9308]\n", + " PeriodicSite: Li (9.649, 18.08, 9.431) [0.475, 0.8901, 0.4643]\n", + " PeriodicSite: Li (12.78, 13.39, 15.12) [0.6294, 0.6591, 0.7446]\n", + " PeriodicSite: Li (20.11, 7.098, 7.18) [0.9901, 0.3494, 0.3535]\n", + " PeriodicSite: Li (19.62, 7.183, 16.69) [0.9661, 0.3536, 0.8217]\n", + " PeriodicSite: Li (17.08, 17.18, 10.05) [0.8407, 0.8457, 0.4949]\n", + " PeriodicSite: Li (17.05, 17.22, 19.87) [0.8396, 0.8478, 0.9784]\n", + " PeriodicSite: Li (8.371, 8.116, 9.432) [0.4121, 0.3996, 0.4643]\n", + " PeriodicSite: Li (5.575, 4.548, 2.204) [0.2745, 0.2239, 0.1085]\n", + " PeriodicSite: Li (6.23, 17.1, 9.211) [0.3067, 0.8417, 0.4535]\n", + " PeriodicSite: Li (7.713, 15.29, 2.404) [0.3797, 0.7529, 0.1184]\n", + " PeriodicSite: Li (15.29, 6.709, 8.204) [0.7527, 0.3303, 0.4039]\n", + " PeriodicSite: Li (18.22, 8.784, 20.25) [0.897, 0.4324, 0.9971]\n", + " PeriodicSite: Li (15.5, 19.11, 6.985) [0.7629, 0.9407, 0.3439]\n", + " PeriodicSite: Li (15.75, 17.89, 15.47) [0.7755, 0.8809, 0.7617]\n", + " PeriodicSite: Li (6.546, 4.721, 12.77) [0.3223, 0.2324, 0.6288]\n", + " PeriodicSite: Li (7.767, 9.489, 19.4) [0.3824, 0.4671, 0.9552]\n", + " PeriodicSite: Li (9.141, 17.62, 5.696) [0.45, 0.8674, 0.2804]\n", + " PeriodicSite: Li (10.24, 18.29, 2.33) [0.5042, 0.9002, 0.1147]\n", + " PeriodicSite: Li (16.85, 8.309, 5.231) [0.8294, 0.4091, 0.2575]\n", + " PeriodicSite: Li (13.79, 6.689, 19.24) [0.6788, 0.3293, 0.9474]\n", + " PeriodicSite: Li (20.03, 17.76, 7.176) [0.986, 0.8742, 0.3533]\n", + " PeriodicSite: Li (18.41, 0.5208, 1.761) [0.9061, 0.02563, 0.08671]\n", + " PeriodicSite: Li (2.523, 9.56, 4.453) [0.1242, 0.4706, 0.2192]\n", + " PeriodicSite: Li (9.806, 7.964, 20.02) [0.4828, 0.3921, 0.9855]\n", + " PeriodicSite: Li (7.649, 15.47, 7.343) [0.3766, 0.7618, 0.3615]\n", + " PeriodicSite: Li (6.419, 20.04, 17.28) [0.316, 0.9867, 0.8509]\n", + " PeriodicSite: Li (17.77, 5.653, 6.423) [0.8747, 0.2783, 0.3162]\n", + " PeriodicSite: Li (16.8, 11.17, 16.0) [0.827, 0.5497, 0.7878]\n", + " PeriodicSite: Li (2.074, 15.07, 2.711) [0.1021, 0.7421, 0.1334]\n", + " PeriodicSite: Li (15.58, 2.06, 14.71) [0.7672, 0.1014, 0.724]\n", + " PeriodicSite: Cl (7.339, 12.56, 12.69) [0.3613, 0.6184, 0.6245]\n", + " PeriodicSite: Cl (2.654, 12.86, 17.9) [0.1307, 0.6333, 0.8814]\n", + " PeriodicSite: Cl (13.04, 17.9, 12.0) [0.6421, 0.8812, 0.5909]\n", + " PeriodicSite: Cl (17.75, 7.606, 17.8) [0.874, 0.3744, 0.8765]\n", + " PeriodicSite: Cl (7.61, 2.821, 2.463) [0.3746, 0.1389, 0.1212]\n", + " PeriodicSite: Cl (7.126, 7.416, 7.591) [0.3508, 0.3651, 0.3737]\n", + " PeriodicSite: Cl (12.66, 12.62, 7.49) [0.6234, 0.6214, 0.3688]\n", + " PeriodicSite: Cl (2.625, 8.142, 2.427) [0.1292, 0.4009, 0.1195]\n", + " PeriodicSite: Cl (2.702, 7.632, 12.89) [0.133, 0.3757, 0.6348]\n", + " PeriodicSite: Cl (12.69, 12.54, 17.6) [0.6247, 0.6173, 0.8667]\n", + " PeriodicSite: Cl (17.46, 17.92, 17.68) [0.8597, 0.8824, 0.8703]\n", + " PeriodicSite: Cl (2.457, 2.137, 8.006) [0.121, 0.1052, 0.3941]\n", + " PeriodicSite: Cl (12.97, 2.39, 17.86) [0.6385, 0.1176, 0.8793]\n", + " PeriodicSite: Cl (12.35, 7.252, 2.835) [0.6079, 0.357, 0.1396]\n", + " PeriodicSite: Cl (17.64, 2.16, 12.92) [0.8683, 0.1063, 0.6362]\n", + " PeriodicSite: Cl (7.379, 17.53, 17.79) [0.3633, 0.863, 0.8756]\n", + " PeriodicSite: Cl (0.06217, 0.4588, 20.16) [0.003066, 0.02259, 0.9926]\n", + " PeriodicSite: Cl (20.15, 20.26, 10.45) [0.992, 0.9975, 0.5145]\n", + " PeriodicSite: Cl (20.07, 10.35, 20.01) [0.9882, 0.5094, 0.9853]\n", + " PeriodicSite: Cl (20.02, 10.36, 9.706) [0.9857, 0.5101, 0.4778]\n", + " PeriodicSite: Cl (10.03, 20.03, 0.148) [0.4939, 0.9863, 0.00729]\n", + " PeriodicSite: Cl (9.712, 0.04468, 9.725) [0.4781, 0.002196, 0.4788]\n", + " PeriodicSite: Cl (9.854, 10.18, 0.5443) [0.4851, 0.501, 0.0268]\n", + " PeriodicSite: Cl (9.974, 9.804, 10.02) [0.491, 0.4827, 0.4931]\n", + " PeriodicSite: Cl (19.88, 5.678, 5.12) [0.9788, 0.2795, 0.2521]\n", + " PeriodicSite: Cl (20.27, 5.448, 15.35) [0.998, 0.2682, 0.7559]\n", + " PeriodicSite: Cl (0.1181, 16.17, 5.213) [0.005808, 0.7962, 0.2566]\n", + " PeriodicSite: Cl (0.5734, 15.04, 15.08) [0.02822, 0.7404, 0.7423]\n", + " PeriodicSite: Cl (10.15, 5.645, 5.161) [0.4998, 0.2779, 0.2541]\n", + " PeriodicSite: Cl (10.51, 5.876, 15.79) [0.5172, 0.2893, 0.7775]\n", + " PeriodicSite: Cl (9.935, 15.38, 5.005) [0.4891, 0.7569, 0.2464]\n", + " PeriodicSite: Cl (10.45, 14.91, 15.22) [0.5147, 0.7342, 0.7495]\n", + " PeriodicSite: S (4.966, 20.3, 5.274) [0.2445, 0.9996, 0.2596]\n", + " PeriodicSite: S (5.006, 0.1664, 15.17) [0.2465, 0.00819, 0.7468]\n", + " PeriodicSite: S (4.879, 10.26, 5.043) [0.2402, 0.5053, 0.2483]\n", + " PeriodicSite: S (5.171, 10.3, 15.3) [0.2546, 0.507, 0.7531]\n", + " PeriodicSite: S (14.9, 20.27, 5.103) [0.7334, 0.9977, 0.2512]\n", + " PeriodicSite: S (15.2, 20.01, 14.95) [0.7481, 0.9851, 0.7361]\n", + " PeriodicSite: S (15.5, 10.26, 5.172) [0.7633, 0.505, 0.2546]\n", + " PeriodicSite: S (15.66, 9.656, 14.56) [0.771, 0.4754, 0.717]\n", + " PeriodicSite: S (4.862, 4.389, 20.26) [0.2394, 0.2161, 0.9973]\n", + " PeriodicSite: S (5.065, 4.922, 10.74) [0.2494, 0.2423, 0.5285]\n", + " PeriodicSite: S (5.283, 14.97, 0.1793) [0.2601, 0.7371, 0.008831]\n", + " PeriodicSite: S (5.168, 15.11, 10.07) [0.2544, 0.7439, 0.4959]\n", + " PeriodicSite: S (15.56, 4.532, 20.29) [0.7659, 0.2231, 0.9991]\n", + " PeriodicSite: S (14.76, 4.926, 10.19) [0.7264, 0.2425, 0.5017]\n", + " PeriodicSite: S (15.34, 15.37, 0.2357) [0.7552, 0.7567, 0.01161]\n", + " PeriodicSite: S (15.45, 15.16, 10.27) [0.7605, 0.7465, 0.5057]\n", + " PeriodicSite: S (8.525, 4.256, 8.738) [0.4197, 0.2095, 0.4302]\n", + " PeriodicSite: S (8.845, 3.837, 19.17) [0.4354, 0.1889, 0.9439]\n", + " PeriodicSite: S (9.117, 13.99, 9.053) [0.4488, 0.6885, 0.4457]\n", + " PeriodicSite: S (8.955, 14.27, 19.05) [0.4409, 0.7028, 0.938]\n", + " PeriodicSite: S (18.85, 3.619, 9.836) [0.9282, 0.1782, 0.4843]\n", + " PeriodicSite: S (19.16, 3.997, 19.15) [0.9434, 0.1968, 0.9429]\n", + " PeriodicSite: S (19.01, 13.94, 8.952) [0.9361, 0.6865, 0.4407]\n", + " PeriodicSite: S (19.26, 14.72, 18.54) [0.9483, 0.7247, 0.9128]\n", + " PeriodicSite: S (3.61, 0.7449, 1.268) [0.1777, 0.03667, 0.06243]\n", + " PeriodicSite: S (3.721, 1.169, 11.17) [0.1832, 0.05756, 0.5501]\n", + " PeriodicSite: S (4.012, 11.64, 1.294) [0.1975, 0.573, 0.06369]\n", + " PeriodicSite: S (4.061, 11.16, 11.28) [0.1999, 0.5494, 0.5555]\n", + " PeriodicSite: S (14.11, 1.147, 0.8467) [0.6944, 0.05644, 0.04169]\n", + " PeriodicSite: S (13.9, 1.371, 11.17) [0.6845, 0.06748, 0.5498]\n", + " PeriodicSite: S (13.78, 11.66, 0.9594) [0.6784, 0.5741, 0.04724]\n", + " PeriodicSite: S (13.88, 10.89, 11.49) [0.6834, 0.536, 0.5658]\n", + " PeriodicSite: S (6.276, 1.139, 9.197) [0.309, 0.05609, 0.4528]\n", + " PeriodicSite: S (6.073, 1.037, 19.45) [0.299, 0.05107, 0.9576]\n", + " PeriodicSite: S (6.063, 11.4, 8.591) [0.2985, 0.5612, 0.423]\n", + " PeriodicSite: S (6.325, 11.17, 18.76) [0.3114, 0.5497, 0.9235]\n", + " PeriodicSite: S (16.13, 0.9829, 8.563) [0.7939, 0.04838, 0.4216]\n", + " PeriodicSite: S (16.58, 1.23, 18.93) [0.8164, 0.06056, 0.9318]\n", + " PeriodicSite: S (16.2, 11.15, 9.061) [0.7974, 0.549, 0.4461]\n", + " PeriodicSite: S (16.46, 11.36, 19.08) [0.8104, 0.5592, 0.9396]\n", + " PeriodicSite: S (0.9637, 4.45, 1.775) [0.04744, 0.2191, 0.08739]\n", + " PeriodicSite: S (0.9739, 4.31, 11.9) [0.04795, 0.2122, 0.5857]\n", + " PeriodicSite: S (0.6856, 14.01, 0.9188) [0.03374, 0.6895, 0.04524]\n", + " PeriodicSite: S (1.234, 13.97, 11.33) [0.06075, 0.6879, 0.5576]\n", + " PeriodicSite: S (11.46, 3.681, 1.371) [0.5643, 0.1812, 0.06752]\n", + " PeriodicSite: S (10.71, 3.581, 11.34) [0.527, 0.1763, 0.5584]\n", + " PeriodicSite: S (11.32, 14.3, 1.105) [0.5572, 0.7041, 0.05441]\n", + " PeriodicSite: S (11.49, 13.96, 11.34) [0.5656, 0.6874, 0.5583]\n", + " PeriodicSite: S (2.358, 2.75, 17.85) [0.1161, 0.1354, 0.8787]\n", + " PeriodicSite: S (2.728, 12.69, 7.495) [0.1343, 0.6245, 0.369]\n", + " PeriodicSite: S (12.48, 2.646, 7.642) [0.6144, 0.1303, 0.3762]\n", + " PeriodicSite: S (8.579, 9.493, 4.121) [0.4224, 0.4674, 0.2029]\n", + " PeriodicSite: S (9.096, 8.674, 14.11) [0.4478, 0.427, 0.6944]\n", + " PeriodicSite: S (8.709, 19.22, 3.774) [0.4287, 0.9464, 0.1858]\n", + " PeriodicSite: S (9.153, 19.08, 14.29) [0.4506, 0.9396, 0.7034]\n", + " PeriodicSite: S (18.83, 8.933, 3.724) [0.9272, 0.4398, 0.1833]\n", + " PeriodicSite: S (19.57, 8.594, 14.55) [0.9636, 0.4231, 0.7164]\n", + " PeriodicSite: S (19.17, 19.29, 3.792) [0.9438, 0.9498, 0.1867]\n", + " PeriodicSite: S (19.07, 19.09, 14.0) [0.9387, 0.9397, 0.6891]\n", + " PeriodicSite: S (3.83, 6.275, 6.423) [0.1885, 0.3089, 0.3162]\n", + " PeriodicSite: S (3.798, 6.485, 16.78) [0.187, 0.3192, 0.8262]\n", + " PeriodicSite: S (3.953, 16.43, 6.392) [0.1946, 0.8087, 0.3147]\n", + " PeriodicSite: S (4.019, 16.12, 16.48) [0.1979, 0.7934, 0.8112]\n", + " PeriodicSite: S (13.98, 6.438, 6.253) [0.6884, 0.317, 0.3079]\n", + " PeriodicSite: S (14.37, 6.222, 16.53) [0.7074, 0.3063, 0.814]\n", + " PeriodicSite: S (14.12, 16.67, 6.244) [0.6951, 0.8208, 0.3074]\n", + " PeriodicSite: S (14.62, 15.99, 16.73) [0.7197, 0.7873, 0.8237]\n", + " PeriodicSite: S (6.507, 6.084, 3.841) [0.3203, 0.2995, 0.1891]\n", + " PeriodicSite: S (6.1, 6.591, 14.4) [0.3003, 0.3245, 0.7087]\n", + " PeriodicSite: S (6.322, 16.66, 3.923) [0.3112, 0.82, 0.1932]\n", + " PeriodicSite: S (6.613, 15.99, 14.18) [0.3256, 0.7874, 0.6983]\n", + " PeriodicSite: S (16.42, 6.245, 3.901) [0.8081, 0.3074, 0.1921]\n", + " PeriodicSite: S (16.38, 5.995, 13.68) [0.8064, 0.2951, 0.6734]\n", + " PeriodicSite: S (16.73, 16.63, 3.782) [0.8235, 0.8189, 0.1862]\n", + " PeriodicSite: S (17.2, 16.4, 14.61) [0.8469, 0.8074, 0.7194]\n", + " PeriodicSite: S (0.9366, 8.976, 6.085) [0.04611, 0.4419, 0.2996]\n", + " PeriodicSite: S (1.553, 9.262, 16.72) [0.07644, 0.456, 0.8232]\n", + " PeriodicSite: S (1.162, 19.4, 6.258) [0.05722, 0.9551, 0.3081]\n", + " PeriodicSite: S (1.298, 19.24, 16.57) [0.06389, 0.9471, 0.8157]\n", + " PeriodicSite: S (11.34, 9.226, 6.01) [0.5581, 0.4542, 0.2959]\n", + " PeriodicSite: S (12.04, 9.156, 15.97) [0.593, 0.4507, 0.7861]\n", + " PeriodicSite: S (10.79, 19.06, 6.468) [0.5314, 0.9382, 0.3184]\n", + " PeriodicSite: S (10.73, 19.55, 17.36) [0.5282, 0.9623, 0.8546]\n", + " PeriodicSite: S (2.555, 17.53, 2.305) [0.1258, 0.863, 0.1135]\n", + " PeriodicSite: S (2.782, 17.34, 12.85) [0.1369, 0.8539, 0.6327]\n", + " PeriodicSite: S (12.79, 7.67, 12.68) [0.6296, 0.3776, 0.6244]\n", + " PeriodicSite: S (12.58, 17.91, 2.394) [0.6195, 0.8819, 0.1179]\n", + " PeriodicSite: S (3.726, 4.104, 4.053) [0.1834, 0.202, 0.1995]\n", + " PeriodicSite: S (3.77, 4.028, 14.52) [0.1856, 0.1983, 0.7151]\n", + " PeriodicSite: S (3.908, 14.33, 3.795) [0.1924, 0.7054, 0.1868]\n", + " PeriodicSite: S (4.037, 13.86, 13.77) [0.1987, 0.6825, 0.6777]\n", + " PeriodicSite: S (13.7, 4.168, 4.013) [0.6746, 0.2052, 0.1976]\n", + " PeriodicSite: S (13.77, 4.038, 14.25) [0.678, 0.1988, 0.7013]\n", + " PeriodicSite: S (13.78, 14.54, 3.73) [0.6786, 0.7157, 0.1837]\n", + " PeriodicSite: S (14.6, 14.14, 14.05) [0.7188, 0.696, 0.6915]\n", + " PeriodicSite: S (8.62, 1.276, 6.064) [0.4244, 0.06281, 0.2985]\n", + " PeriodicSite: S (8.283, 1.322, 16.65) [0.4078, 0.0651, 0.8197]\n", + " PeriodicSite: S (9.34, 11.7, 6.411) [0.4598, 0.5762, 0.3156]\n", + " PeriodicSite: S (9.154, 10.82, 16.6) [0.4507, 0.5328, 0.8173]\n", + " PeriodicSite: S (19.0, 1.23, 6.277) [0.9352, 0.06055, 0.309]\n", + " PeriodicSite: S (19.26, 1.108, 16.46) [0.9481, 0.05456, 0.8101]\n", + " PeriodicSite: S (18.97, 11.59, 6.036) [0.934, 0.5708, 0.2971]\n", + " PeriodicSite: S (19.45, 11.54, 16.7) [0.9576, 0.5681, 0.8223]\n", + " PeriodicSite: S (0.9981, 1.656, 3.944) [0.04914, 0.0815, 0.1942]\n", + " PeriodicSite: S (1.172, 0.9182, 13.86) [0.05769, 0.04521, 0.6821]\n", + " PeriodicSite: S (0.8257, 11.2, 3.593) [0.04065, 0.5514, 0.1769]\n", + " PeriodicSite: S (1.042, 11.35, 13.92) [0.05127, 0.5588, 0.6855]\n", + " PeriodicSite: S (11.28, 1.204, 4.136) [0.5551, 0.05928, 0.2036]\n", + " PeriodicSite: S (11.07, 1.426, 14.79) [0.545, 0.07022, 0.728]\n", + " PeriodicSite: S (11.16, 11.41, 3.404) [0.5496, 0.5618, 0.1676]\n", + " PeriodicSite: S (11.22, 11.31, 13.68) [0.5522, 0.5566, 0.6735]\n", + " PeriodicSite: S (6.358, 3.896, 6.199) [0.313, 0.1918, 0.3052]\n", + " PeriodicSite: S (6.346, 4.093, 16.58) [0.3124, 0.2015, 0.8162]\n", + " PeriodicSite: S (6.245, 13.85, 6.078) [0.3075, 0.6818, 0.2992]\n", + " PeriodicSite: S (6.335, 13.86, 16.62) [0.3119, 0.6824, 0.8184]\n", + " PeriodicSite: S (16.24, 3.918, 6.368) [0.7996, 0.1929, 0.3135]\n", + " PeriodicSite: S (16.41, 3.621, 16.21) [0.8077, 0.1783, 0.798]\n", + " PeriodicSite: S (16.38, 14.14, 5.95) [0.8066, 0.6962, 0.2929]\n", + " PeriodicSite: S (17.07, 13.63, 16.39) [0.8404, 0.6711, 0.807]\n", + " PeriodicSite: S (7.286, 2.362, 12.74) [0.3587, 0.1163, 0.627]\n", + " PeriodicSite: S (7.604, 12.86, 2.792) [0.3743, 0.633, 0.1375]\n", + " PeriodicSite: S (17.64, 2.546, 2.554) [0.8684, 0.1253, 0.1257]\n", + " PeriodicSite: S (17.44, 12.86, 2.037) [0.8588, 0.6333, 0.1003]\n", + " PeriodicSite: S (17.69, 12.68, 12.68) [0.8711, 0.6241, 0.6244]\n", + " PeriodicSite: S (3.801, 8.867, 8.928) [0.1871, 0.4365, 0.4395]\n", + " PeriodicSite: S (3.783, 9.099, 19.36) [0.1862, 0.448, 0.9531]\n", + " PeriodicSite: S (3.826, 18.96, 8.972) [0.1884, 0.9336, 0.4417]\n", + " PeriodicSite: S (3.896, 19.15, 18.88) [0.1918, 0.943, 0.9295]\n", + " PeriodicSite: S (13.63, 8.73, 8.912) [0.6709, 0.4298, 0.4388]\n", + " PeriodicSite: S (13.86, 9.072, 18.87) [0.6821, 0.4466, 0.9289]\n", + " PeriodicSite: S (13.7, 19.24, 8.812) [0.6743, 0.9473, 0.4338]\n", + " PeriodicSite: S (14.08, 19.28, 18.85) [0.693, 0.9492, 0.928]\n", + " PeriodicSite: S (8.756, 5.81, 1.424) [0.4311, 0.286, 0.07012]\n", + " PeriodicSite: S (8.659, 6.331, 11.4) [0.4263, 0.3117, 0.5613]\n", + " PeriodicSite: S (8.978, 16.91, 0.9135) [0.442, 0.8324, 0.04498]\n", + " PeriodicSite: S (9.359, 16.49, 11.37) [0.4607, 0.8116, 0.5599]\n", + " PeriodicSite: S (18.65, 6.631, 1.078) [0.918, 0.3265, 0.05307]\n", + " PeriodicSite: S (19.19, 6.768, 10.86) [0.9448, 0.3332, 0.5345]\n", + " PeriodicSite: S (18.98, 16.66, 0.805) [0.9346, 0.8202, 0.03964]\n", + " PeriodicSite: S (19.4, 16.33, 11.41) [0.9552, 0.8037, 0.5618]\n", + " PeriodicSite: S (0.9895, 5.386, 8.678) [0.04871, 0.2652, 0.4272]\n", + " PeriodicSite: S (1.178, 6.36, 19.27) [0.05802, 0.3131, 0.9485]\n", + " PeriodicSite: S (1.135, 16.17, 8.906) [0.05589, 0.7961, 0.4385]\n", + " PeriodicSite: S (1.459, 16.59, 19.26) [0.07181, 0.8168, 0.948]\n", + " PeriodicSite: S (11.06, 6.331, 9.288) [0.5446, 0.3117, 0.4573]\n", + " PeriodicSite: S (11.36, 6.141, 19.51) [0.559, 0.3023, 0.9604]\n", + " PeriodicSite: S (11.44, 16.28, 8.783) [0.5632, 0.8017, 0.4324]\n", + " PeriodicSite: S (11.41, 16.62, 18.83) [0.5619, 0.8181, 0.9271]\n", + " PeriodicSite: S (6.254, 9.225, 1.1) [0.3079, 0.4542, 0.05416]\n", + " PeriodicSite: S (6.337, 8.801, 10.68) [0.312, 0.4333, 0.5259]\n", + " PeriodicSite: S (5.869, 18.48, 1.251) [0.2889, 0.9099, 0.06159]\n", + " PeriodicSite: S (6.168, 19.12, 11.53) [0.3036, 0.9415, 0.5674]\n", + " PeriodicSite: S (16.17, 9.009, 1.135) [0.7961, 0.4435, 0.05591]\n", + " PeriodicSite: S (16.45, 8.61, 11.15) [0.8097, 0.4239, 0.5489]\n", + " PeriodicSite: S (16.61, 19.13, 0.9169) [0.8177, 0.9416, 0.04514]\n", + " PeriodicSite: S (15.98, 19.07, 11.22) [0.7866, 0.9387, 0.5524]\n", + " PeriodicSite: S (7.59, 7.624, 17.86) [0.3737, 0.3753, 0.8793]\n", + " PeriodicSite: S (7.749, 17.74, 7.73) [0.3815, 0.8735, 0.3805]\n", + " PeriodicSite: S (17.65, 7.503, 7.525) [0.8691, 0.3694, 0.3705]\n", + " PeriodicSite: S (17.77, 17.83, 7.43) [0.8751, 0.8777, 0.3658]\n", + " PeriodicSite: P (4.886, 20.01, 0.06796) [0.2406, 0.9852, 0.003349]\n", + " PeriodicSite: P (5.011, 20.22, 10.29) [0.2467, 0.9956, 0.5064]\n", + " PeriodicSite: P (5.0, 10.42, 0.02201) [0.2461, 0.513, 0.001086]\n", + " PeriodicSite: P (5.04, 10.08, 9.878) [0.2481, 0.4962, 0.4863]\n", + " PeriodicSite: P (15.39, 20.3, 20.03) [0.7578, 0.9996, 0.986]\n", + " PeriodicSite: P (14.93, 20.3, 9.944) [0.7351, 0.9993, 0.4896]\n", + " PeriodicSite: P (15.04, 10.36, 20.2) [0.7403, 0.5099, 0.9944]\n", + " PeriodicSite: P (14.96, 9.784, 10.17) [0.7366, 0.4817, 0.5008]\n", + " PeriodicSite: P (5.055, 5.102, 5.14) [0.2488, 0.2512, 0.2531]\n", + " PeriodicSite: P (5.049, 5.216, 15.66) [0.2486, 0.2568, 0.771]\n", + " PeriodicSite: P (5.21, 15.33, 5.168) [0.2565, 0.7545, 0.2544]\n", + " PeriodicSite: P (5.165, 14.84, 15.19) [0.2543, 0.7308, 0.7479]\n", + " PeriodicSite: P (15.12, 5.132, 5.133) [0.7446, 0.2526, 0.2527]\n", + " PeriodicSite: P (15.25, 5.039, 15.17) [0.7506, 0.2481, 0.7471]\n", + " PeriodicSite: P (15.28, 15.67, 4.885) [0.752, 0.7712, 0.2405]\n", + " PeriodicSite: P (15.79, 15.06, 15.44) [0.7773, 0.7416, 0.7601]\n", + " PeriodicSite: P (20.26, 0.1786, 5.072) [0.9973, 0.008785, 0.2497]\n", + " PeriodicSite: P (0.03118, 20.23, 15.24) [0.00153, 0.9958, 0.7505]\n", + " PeriodicSite: P (20.06, 10.09, 4.913) [0.9874, 0.4966, 0.2419]\n", + " PeriodicSite: P (0.2258, 10.29, 15.44) [0.01112, 0.5065, 0.7603]\n", + " PeriodicSite: P (9.882, 20.28, 5.189) [0.4865, 0.9984, 0.2555]\n", + " PeriodicSite: P (9.74, 0.1145, 15.73) [0.4795, 0.005634, 0.7743]\n", + " PeriodicSite: P (10.22, 10.52, 4.986) [0.5032, 0.5178, 0.2455]\n", + " PeriodicSite: P (10.27, 9.955, 15.21) [0.5055, 0.4901, 0.749]\n", + " PeriodicSite: P (20.13, 5.368, 0.1452) [0.9909, 0.2642, 0.007154]\n", + " PeriodicSite: P (20.14, 5.087, 10.32) [0.9916, 0.2504, 0.5079]\n", + " PeriodicSite: P (0.02073, 15.54, 20.11) [0.001019, 0.7651, 0.9899]\n", + " PeriodicSite: P (20.28, 14.99, 10.13) [0.9984, 0.7381, 0.4989]\n", + " PeriodicSite: P (10.12, 4.851, 0.3204) [0.498, 0.2388, 0.01578]\n", + " PeriodicSite: P (9.825, 5.098, 10.21) [0.4837, 0.251, 0.5028]\n", + " PeriodicSite: P (10.23, 15.61, 20.07) [0.5037, 0.7684, 0.9881]\n", + " PeriodicSite: P (10.43, 15.15, 10.11) [0.5136, 0.746, 0.4977],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.075, 5.513, 4.131) [0.1022, 0.2714, 0.2034]\n", + " PeriodicSite: Li (2.208, 4.14, 15.95) [0.1087, 0.2038, 0.7855]\n", + " PeriodicSite: Li (0.04908, 12.08, 8.023) [0.002413, 0.5948, 0.395]\n", + " PeriodicSite: Li (1.816, 14.61, 17.1) [0.08939, 0.7191, 0.842]\n", + " PeriodicSite: Li (14.54, 0.8124, 7.153) [0.7157, 0.03999, 0.3521]\n", + " PeriodicSite: Li (11.97, 3.693, 15.97) [0.5894, 0.1818, 0.7865]\n", + " PeriodicSite: Li (17.05, 12.58, 4.621) [0.8395, 0.6194, 0.2275]\n", + " PeriodicSite: Li (16.9, 7.908, 15.71) [0.8318, 0.3893, 0.7732]\n", + " PeriodicSite: Li (3.039, 4.014, 9.273) [0.1496, 0.1976, 0.4565]\n", + " PeriodicSite: Li (1.881, 0.3974, 18.53) [0.09262, 0.01956, 0.9123]\n", + " PeriodicSite: Li (4.71, 7.983, 6.693) [0.2319, 0.393, 0.3295]\n", + " PeriodicSite: Li (7.387, 9.773, 16.41) [0.3637, 0.4811, 0.808]\n", + " PeriodicSite: Li (12.34, 4.861, 7.181) [0.6076, 0.2393, 0.3536]\n", + " PeriodicSite: Li (13.07, 3.209, 0.08728) [0.6433, 0.158, 0.004301]\n", + " PeriodicSite: Li (12.27, 9.642, 11.56) [0.6039, 0.4747, 0.5691]\n", + " PeriodicSite: Li (9.464, 18.66, 18.55) [0.4659, 0.9185, 0.9132]\n", + " PeriodicSite: Li (5.133, 1.662, 6.884) [0.2527, 0.0818, 0.3389]\n", + " PeriodicSite: Li (3.131, 1.021, 15.96) [0.1541, 0.05028, 0.786]\n", + " PeriodicSite: Li (4.104, 11.0, 7.292) [0.202, 0.5416, 0.359]\n", + " PeriodicSite: Li (6.515, 12.06, 14.39) [0.3208, 0.5937, 0.7084]\n", + " PeriodicSite: Li (12.18, 0.5935, 9.279) [0.5996, 0.02921, 0.4568]\n", + " PeriodicSite: Li (10.58, 1.5, 18.53) [0.5209, 0.07386, 0.9125]\n", + " PeriodicSite: Li (15.25, 15.0, 8.019) [0.7508, 0.7382, 0.3948]\n", + " PeriodicSite: Li (11.76, 10.63, 17.75) [0.5789, 0.5235, 0.8739]\n", + " PeriodicSite: Li (0.3195, 3.084, 7.75) [0.01573, 0.1518, 0.3815]\n", + " PeriodicSite: Li (0.152, 2.428, 18.15) [0.007488, 0.1196, 0.8935]\n", + " PeriodicSite: Li (2.02, 14.74, 6.479) [0.09942, 0.7258, 0.3189]\n", + " PeriodicSite: Li (3.078, 13.46, 0.2255) [0.1515, 0.6627, 0.0111]\n", + " PeriodicSite: Li (12.37, 2.71, 5.34) [0.6088, 0.1334, 0.2629]\n", + " PeriodicSite: Li (13.21, 0.4021, 16.34) [0.6505, 0.01979, 0.8046]\n", + " PeriodicSite: Li (10.53, 11.35, 8.27) [0.5186, 0.5588, 0.4071]\n", + " PeriodicSite: Li (15.07, 16.79, 18.51) [0.7421, 0.8268, 0.9115]\n", + " PeriodicSite: Li (7.12, 0.9504, 4.78) [0.3505, 0.04679, 0.2353]\n", + " PeriodicSite: Li (1.317, 20.15, 2.089) [0.06482, 0.992, 0.1028]\n", + " PeriodicSite: Li (2.815, 14.29, 9.29) [0.1386, 0.7034, 0.4574]\n", + " PeriodicSite: Li (1.74, 17.67, 15.09) [0.08568, 0.8699, 0.7429]\n", + " PeriodicSite: Li (14.96, 3.499, 8.039) [0.7364, 0.1722, 0.3957]\n", + " PeriodicSite: Li (14.96, 2.847, 18.27) [0.7366, 0.1402, 0.8992]\n", + " PeriodicSite: Li (18.09, 16.2, 5.706) [0.8905, 0.7977, 0.2809]\n", + " PeriodicSite: Li (12.32, 13.13, 19.92) [0.6064, 0.6464, 0.9804]\n", + " PeriodicSite: Li (4.067, 1.738, 3.755) [0.2002, 0.08556, 0.1848]\n", + " PeriodicSite: Li (5.023, 2.992, 18.34) [0.2473, 0.1473, 0.9028]\n", + " PeriodicSite: Li (2.947, 12.02, 4.961) [0.1451, 0.592, 0.2442]\n", + " PeriodicSite: Li (19.88, 12.36, 2.102) [0.9787, 0.6083, 0.1035]\n", + " PeriodicSite: Li (10.35, 2.461, 7.656) [0.5094, 0.1212, 0.3769]\n", + " PeriodicSite: Li (17.3, 0.2064, 16.6) [0.8516, 0.01015, 0.8174]\n", + " PeriodicSite: Li (13.67, 12.01, 4.821) [0.6729, 0.591, 0.2374]\n", + " PeriodicSite: Li (14.49, 9.014, 16.63) [0.7135, 0.4438, 0.8188]\n", + " PeriodicSite: Li (4.405, 11.03, 17.01) [0.2169, 0.543, 0.8376]\n", + " PeriodicSite: Li (1.97, 10.92, 9.462) [0.09697, 0.5375, 0.4658]\n", + " PeriodicSite: Li (3.034, 17.4, 20.3) [0.1494, 0.8565, 0.9995]\n", + " PeriodicSite: Li (1.831, 0.7499, 9.385) [0.09014, 0.03692, 0.462]\n", + " PeriodicSite: Li (12.38, 6.016, 4.199) [0.6096, 0.2962, 0.2067]\n", + " PeriodicSite: Li (13.17, 10.26, 13.99) [0.6482, 0.5052, 0.689]\n", + " PeriodicSite: Li (11.22, 14.2, 7.118) [0.5524, 0.6991, 0.3504]\n", + " PeriodicSite: Li (14.71, 19.72, 12.83) [0.7242, 0.9706, 0.6317]\n", + " PeriodicSite: Li (2.716, 6.073, 0.8967) [0.1337, 0.299, 0.04415]\n", + " PeriodicSite: Li (2.986, 5.232, 12.28) [0.147, 0.2576, 0.6047]\n", + " PeriodicSite: Li (6.729, 17.18, 19.86) [0.3313, 0.8459, 0.9776]\n", + " PeriodicSite: Li (5.613, 18.45, 14.71) [0.2763, 0.9084, 0.7242]\n", + " PeriodicSite: Li (14.35, 5.97, 1.638) [0.7064, 0.2939, 0.08066]\n", + " PeriodicSite: Li (10.41, 7.402, 12.19) [0.5123, 0.3644, 0.5999]\n", + " PeriodicSite: Li (13.16, 18.81, 5.102) [0.6478, 0.9261, 0.2512]\n", + " PeriodicSite: Li (10.35, 18.07, 13.14) [0.5097, 0.8897, 0.6467]\n", + " PeriodicSite: Li (2.066, 9.849, 1.547) [0.1017, 0.4849, 0.07614]\n", + " PeriodicSite: Li (3.629, 6.987, 9.94) [0.1786, 0.344, 0.4894]\n", + " PeriodicSite: Li (4.611, 16.67, 2.186) [0.227, 0.8205, 0.1076]\n", + " PeriodicSite: Li (2.475, 17.74, 10.36) [0.1218, 0.8734, 0.5099]\n", + " PeriodicSite: Li (12.38, 9.975, 2.036) [0.6096, 0.4911, 0.1002]\n", + " PeriodicSite: Li (12.41, 7.065, 14.82) [0.6111, 0.3478, 0.7295]\n", + " PeriodicSite: Li (12.38, 15.92, 3.449) [0.6094, 0.7835, 0.1698]\n", + " PeriodicSite: Li (13.6, 15.36, 12.3) [0.6694, 0.756, 0.6057]\n", + " PeriodicSite: Li (19.65, 6.996, 3.228) [0.9674, 0.3444, 0.1589]\n", + " PeriodicSite: Li (17.38, 6.324, 10.36) [0.8555, 0.3113, 0.51]\n", + " PeriodicSite: Li (2.614, 17.63, 4.856) [0.1287, 0.8678, 0.2391]\n", + " PeriodicSite: Li (0.3307, 18.9, 12.54) [0.01627, 0.9305, 0.6175]\n", + " PeriodicSite: Li (9.681, 7.15, 3.97) [0.4766, 0.352, 0.1955]\n", + " PeriodicSite: Li (15.18, 8.25, 13.19) [0.7473, 0.4061, 0.6491]\n", + " PeriodicSite: Li (13.01, 16.28, 0.4636) [0.6404, 0.8017, 0.02283]\n", + " PeriodicSite: Li (11.01, 15.11, 17.38) [0.5421, 0.7438, 0.8556]\n", + " PeriodicSite: Li (4.699, 8.269, 3.118) [0.2313, 0.4071, 0.1535]\n", + " PeriodicSite: Li (20.11, 11.84, 12.02) [0.9898, 0.583, 0.5918]\n", + " PeriodicSite: Li (0.1668, 17.67, 3.525) [0.008206, 0.8698, 0.1735]\n", + " PeriodicSite: Li (3.361, 19.91, 13.28) [0.1655, 0.98, 0.6537]\n", + " PeriodicSite: Li (16.57, 10.71, 2.851) [0.816, 0.527, 0.1404]\n", + " PeriodicSite: Li (13.38, 6.865, 10.24) [0.659, 0.338, 0.5042]\n", + " PeriodicSite: Li (12.62, 19.54, 0.4852) [0.6211, 0.9622, 0.02389]\n", + " PeriodicSite: Li (13.28, 17.17, 10.37) [0.6539, 0.8453, 0.5106]\n", + " PeriodicSite: Li (3.061, 2.946, 0.6526) [0.1507, 0.145, 0.03213]\n", + " PeriodicSite: Li (5.586, 8.444, 13.3) [0.275, 0.4157, 0.6549]\n", + " PeriodicSite: Li (4.532, 19.29, 2.906) [0.2231, 0.9496, 0.1431]\n", + " PeriodicSite: Li (1.756, 15.24, 12.92) [0.08644, 0.7503, 0.6363]\n", + " PeriodicSite: Li (13.57, 8.758, 4.406) [0.6683, 0.4312, 0.2169]\n", + " PeriodicSite: Li (14.3, 5.755, 12.31) [0.704, 0.2833, 0.606]\n", + " PeriodicSite: Li (15.2, 17.45, 2.156) [0.7483, 0.859, 0.1061]\n", + " PeriodicSite: Li (18.76, 4.104, 15.01) [0.9236, 0.202, 0.7388]\n", + " PeriodicSite: Li (9.032, 4.311, 2.896) [0.4447, 0.2122, 0.1426]\n", + " PeriodicSite: Li (9.689, 2.591, 12.8) [0.477, 0.1276, 0.6302]\n", + " PeriodicSite: Li (5.851, 10.87, 2.928) [0.288, 0.5352, 0.1442]\n", + " PeriodicSite: Li (3.339, 10.57, 13.92) [0.1644, 0.5205, 0.6851]\n", + " PeriodicSite: Li (17.14, 1.661, 5.052) [0.8439, 0.08178, 0.2487]\n", + " PeriodicSite: Li (13.03, 3.552, 10.11) [0.6416, 0.1749, 0.4979]\n", + " PeriodicSite: Li (17.99, 12.04, 20.27) [0.8857, 0.5925, 0.9978]\n", + " PeriodicSite: Li (17.72, 10.02, 13.13) [0.8722, 0.4935, 0.6462]\n", + " PeriodicSite: Li (6.294, 18.65, 5.545) [0.3099, 0.918, 0.273]\n", + " PeriodicSite: Li (6.834, 2.23, 15.19) [0.3365, 0.1098, 0.7477]\n", + " PeriodicSite: Li (7.13, 13.69, 20.01) [0.351, 0.6742, 0.9852]\n", + " PeriodicSite: Li (9.453, 13.79, 13.16) [0.4654, 0.679, 0.648]\n", + " PeriodicSite: Li (13.69, 20.18, 3.131) [0.6741, 0.9935, 0.1541]\n", + " PeriodicSite: Li (19.68, 2.302, 11.73) [0.9688, 0.1133, 0.5776]\n", + " PeriodicSite: Li (17.31, 14.91, 1.553) [0.8524, 0.7343, 0.07646]\n", + " PeriodicSite: Li (17.94, 14.71, 12.87) [0.8831, 0.7241, 0.6338]\n", + " PeriodicSite: Li (7.808, 5.422, 6.39) [0.3844, 0.267, 0.3146]\n", + " PeriodicSite: Li (6.646, 0.00557, 13.22) [0.3272, 0.0002722, 0.6509]\n", + " PeriodicSite: Li (10.07, 12.78, 1.997) [0.4955, 0.6292, 0.09829]\n", + " PeriodicSite: Li (4.967, 13.15, 11.11) [0.2445, 0.6475, 0.5468]\n", + " PeriodicSite: Li (19.66, 3.118, 3.811) [0.968, 0.1535, 0.1876]\n", + " PeriodicSite: Li (20.15, 6.682, 13.3) [0.9922, 0.3289, 0.6547]\n", + " PeriodicSite: Li (15.22, 13.21, 1.516) [0.7494, 0.6504, 0.07465]\n", + " PeriodicSite: Li (15.94, 11.89, 13.56) [0.7845, 0.5854, 0.6675]\n", + " PeriodicSite: Li (3.106, 20.24, 6.651) [0.1529, 0.9964, 0.3274]\n", + " PeriodicSite: Li (4.854, 2.018, 13.29) [0.239, 0.09937, 0.6544]\n", + " PeriodicSite: Li (5.384, 13.57, 2.128) [0.265, 0.6682, 0.1047]\n", + " PeriodicSite: Li (8.444, 6.811, 15.44) [0.4157, 0.3353, 0.7603]\n", + " PeriodicSite: Li (17.08, 4.908, 1.935) [0.8407, 0.2416, 0.09525]\n", + " PeriodicSite: Li (17.54, 0.01434, 13.38) [0.8634, 0.0006989, 0.659]\n", + " PeriodicSite: Li (15.95, 13.97, 18.72) [0.7852, 0.6877, 0.9215]\n", + " PeriodicSite: Li (17.14, 13.32, 10.61) [0.8437, 0.6556, 0.5225]\n", + " PeriodicSite: Li (6.764, 3.167, 0.6098) [0.333, 0.1559, 0.03002]\n", + " PeriodicSite: Li (5.727, 2.867, 10.59) [0.282, 0.1411, 0.5213]\n", + " PeriodicSite: Li (8.374, 10.41, 1.918) [0.4122, 0.5126, 0.09442]\n", + " PeriodicSite: Li (8.357, 10.67, 12.16) [0.4114, 0.5255, 0.5988]\n", + " PeriodicSite: Li (15.41, 1.985, 2.836) [0.7588, 0.09769, 0.1396]\n", + " PeriodicSite: Li (16.74, 3.078, 10.6) [0.8242, 0.1515, 0.5217]\n", + " PeriodicSite: Li (1.13, 11.15, 18.37) [0.05564, 0.5488, 0.9042]\n", + " PeriodicSite: Li (19.55, 13.13, 14.83) [0.9626, 0.6463, 0.7303]\n", + " PeriodicSite: Li (9.298, 1.434, 1.973) [0.4577, 0.07061, 0.09714]\n", + " PeriodicSite: Li (8.044, 0.7024, 11.06) [0.396, 0.03458, 0.5447]\n", + " PeriodicSite: Li (8.433, 13.36, 4.349) [0.4152, 0.6576, 0.2141]\n", + " PeriodicSite: Li (4.4, 15.71, 12.37) [0.2166, 0.7735, 0.6091]\n", + " PeriodicSite: Li (17.21, 2.822, 0.3533) [0.8474, 0.1389, 0.0174]\n", + " PeriodicSite: Li (2.594, 7.413, 15.34) [0.1277, 0.365, 0.7551]\n", + " PeriodicSite: Li (4.766, 13.58, 7.72) [0.2346, 0.6685, 0.3801]\n", + " PeriodicSite: Li (13.57, 13.47, 10.07) [0.668, 0.6632, 0.4959]\n", + " PeriodicSite: Li (14.02, 10.75, 7.119) [0.6903, 0.5294, 0.3505]\n", + " PeriodicSite: Li (5.175, 8.121, 17.65) [0.2548, 0.3998, 0.8691]\n", + " PeriodicSite: Li (7.452, 14.55, 10.34) [0.3669, 0.7162, 0.5092]\n", + " PeriodicSite: Li (4.958, 14.83, 18.15) [0.2441, 0.7301, 0.8936]\n", + " PeriodicSite: Li (17.08, 10.18, 6.534) [0.8411, 0.5012, 0.3217]\n", + " PeriodicSite: Li (3.095, 4.924, 18.63) [0.1524, 0.2424, 0.9173]\n", + " PeriodicSite: Li (16.97, 18.81, 5.254) [0.8356, 0.9261, 0.2587]\n", + " PeriodicSite: Li (19.92, 18.68, 18.61) [0.9809, 0.9196, 0.9162]\n", + " PeriodicSite: Li (7.091, 9.972, 6.149) [0.3491, 0.4909, 0.3027]\n", + " PeriodicSite: Li (9.623, 5.921, 17.86) [0.4737, 0.2915, 0.8792]\n", + " PeriodicSite: Li (8.138, 19.8, 7.709) [0.4007, 0.9749, 0.3795]\n", + " PeriodicSite: Li (7.932, 15.61, 16.08) [0.3905, 0.7686, 0.7917]\n", + " PeriodicSite: Li (17.92, 9.427, 9.224) [0.882, 0.4641, 0.4541]\n", + " PeriodicSite: Li (17.22, 5.477, 18.88) [0.8477, 0.2696, 0.9295]\n", + " PeriodicSite: Li (18.1, 19.91, 8.337) [0.8913, 0.9803, 0.4105]\n", + " PeriodicSite: Li (18.36, 15.77, 16.48) [0.9041, 0.7766, 0.8114]\n", + " PeriodicSite: Li (6.486, 5.437, 8.883) [0.3193, 0.2676, 0.4373]\n", + " PeriodicSite: Li (6.615, 5.724, 19.19) [0.3257, 0.2818, 0.9448]\n", + " PeriodicSite: Li (9.769, 17.55, 9.128) [0.4809, 0.864, 0.4494]\n", + " PeriodicSite: Li (11.55, 12.77, 15.27) [0.5689, 0.6287, 0.752]\n", + " PeriodicSite: Li (20.12, 7.772, 8.023) [0.9904, 0.3826, 0.395]\n", + " PeriodicSite: Li (0.1275, 7.448, 17.62) [0.00628, 0.3667, 0.8673]\n", + " PeriodicSite: Li (17.21, 16.17, 9.365) [0.847, 0.796, 0.461]\n", + " PeriodicSite: Li (17.25, 17.18, 20.0) [0.8491, 0.846, 0.9848]\n", + " PeriodicSite: Li (8.505, 7.919, 9.495) [0.4187, 0.3899, 0.4674]\n", + " PeriodicSite: Li (5.781, 5.316, 2.392) [0.2846, 0.2617, 0.1178]\n", + " PeriodicSite: Li (5.651, 17.29, 8.705) [0.2782, 0.8511, 0.4286]\n", + " PeriodicSite: Li (7.252, 15.46, 2.224) [0.357, 0.761, 0.1095]\n", + " PeriodicSite: Li (15.32, 6.813, 8.313) [0.7541, 0.3354, 0.4093]\n", + " PeriodicSite: Li (18.09, 9.155, 19.94) [0.8904, 0.4507, 0.9819]\n", + " PeriodicSite: Li (15.52, 17.99, 7.465) [0.7639, 0.8857, 0.3675]\n", + " PeriodicSite: Li (15.62, 17.91, 15.69) [0.7691, 0.8816, 0.7726]\n", + " PeriodicSite: Li (6.618, 4.974, 12.16) [0.3258, 0.2449, 0.5989]\n", + " PeriodicSite: Li (7.591, 9.742, 19.29) [0.3737, 0.4796, 0.9498]\n", + " PeriodicSite: Li (9.498, 17.35, 5.827) [0.4676, 0.8544, 0.2869]\n", + " PeriodicSite: Li (10.24, 18.6, 2.255) [0.5039, 0.9158, 0.111]\n", + " PeriodicSite: Li (16.91, 8.278, 4.894) [0.8323, 0.4075, 0.2409]\n", + " PeriodicSite: Li (13.95, 6.745, 19.05) [0.6867, 0.3321, 0.9379]\n", + " PeriodicSite: Li (20.1, 17.87, 7.788) [0.9894, 0.8798, 0.3834]\n", + " PeriodicSite: Li (18.22, 0.08984, 1.756) [0.8968, 0.004415, 0.08643]\n", + " PeriodicSite: Li (2.831, 9.175, 4.505) [0.1394, 0.4517, 0.2218]\n", + " PeriodicSite: Li (9.724, 7.833, 20.11) [0.4787, 0.3856, 0.99]\n", + " PeriodicSite: Li (7.613, 15.49, 7.786) [0.3748, 0.7625, 0.3833]\n", + " PeriodicSite: Li (5.682, 19.81, 17.14) [0.2797, 0.9751, 0.8438]\n", + " PeriodicSite: Li (17.86, 5.833, 6.406) [0.8793, 0.2872, 0.3154]\n", + " PeriodicSite: Li (16.95, 11.27, 16.44) [0.8343, 0.555, 0.8095]\n", + " PeriodicSite: Li (1.615, 15.21, 2.886) [0.0795, 0.749, 0.1421]\n", + " PeriodicSite: Li (15.54, 2.253, 14.57) [0.7649, 0.1109, 0.7171]\n", + " PeriodicSite: Cl (7.631, 13.02, 12.18) [0.3757, 0.6411, 0.5995]\n", + " PeriodicSite: Cl (2.864, 12.85, 18.29) [0.141, 0.6324, 0.9006]\n", + " PeriodicSite: Cl (12.59, 17.81, 12.74) [0.6199, 0.8767, 0.6274]\n", + " PeriodicSite: Cl (18.0, 7.514, 17.73) [0.8863, 0.3699, 0.8729]\n", + " PeriodicSite: Cl (7.215, 2.841, 2.852) [0.3552, 0.1398, 0.1404]\n", + " PeriodicSite: Cl (7.061, 7.686, 7.471) [0.3476, 0.3784, 0.3678]\n", + " PeriodicSite: Cl (12.78, 12.49, 7.91) [0.6292, 0.615, 0.3894]\n", + " PeriodicSite: Cl (2.623, 7.596, 2.734) [0.1291, 0.374, 0.1346]\n", + " PeriodicSite: Cl (2.483, 7.434, 13.06) [0.1222, 0.366, 0.6429]\n", + " PeriodicSite: Cl (12.48, 13.08, 17.69) [0.6145, 0.6437, 0.8709]\n", + " PeriodicSite: Cl (17.81, 18.07, 17.95) [0.8768, 0.8894, 0.8839]\n", + " PeriodicSite: Cl (2.409, 1.958, 7.649) [0.1186, 0.0964, 0.3766]\n", + " PeriodicSite: Cl (12.52, 2.521, 18.13) [0.6163, 0.1241, 0.8928]\n", + " PeriodicSite: Cl (12.89, 7.645, 2.585) [0.6344, 0.3764, 0.1272]\n", + " PeriodicSite: Cl (17.98, 2.731, 13.16) [0.8852, 0.1344, 0.6479]\n", + " PeriodicSite: Cl (7.164, 17.5, 17.72) [0.3527, 0.8614, 0.8723]\n", + " PeriodicSite: Cl (0.1269, 0.0738, 20.01) [0.006251, 0.003635, 0.9852]\n", + " PeriodicSite: Cl (20.0, 0.01903, 10.25) [0.9844, 0.0009283, 0.5047]\n", + " PeriodicSite: Cl (20.16, 10.57, 0.2151) [0.9926, 0.5202, 0.01059]\n", + " PeriodicSite: Cl (20.18, 10.31, 9.69) [0.9936, 0.5075, 0.477]\n", + " PeriodicSite: Cl (10.15, 20.3, 0.3231) [0.4997, 0.9995, 0.01591]\n", + " PeriodicSite: Cl (9.846, 19.95, 9.894) [0.4847, 0.9819, 0.4871]\n", + " PeriodicSite: Cl (9.844, 10.0, 0.03617) [0.4846, 0.4925, 0.001784]\n", + " PeriodicSite: Cl (10.14, 9.554, 10.27) [0.4993, 0.4704, 0.5055]\n", + " PeriodicSite: Cl (0.09884, 5.245, 5.163) [0.004865, 0.2582, 0.2542]\n", + " PeriodicSite: Cl (0.2377, 5.587, 15.4) [0.01171, 0.2751, 0.7581]\n", + " PeriodicSite: Cl (0.5239, 15.61, 4.923) [0.02579, 0.7684, 0.2424]\n", + " PeriodicSite: Cl (0.188, 15.3, 15.42) [0.00925, 0.7533, 0.7593]\n", + " PeriodicSite: Cl (10.1, 5.207, 5.021) [0.4973, 0.2564, 0.2472]\n", + " PeriodicSite: Cl (10.57, 5.577, 15.79) [0.5203, 0.2746, 0.7774]\n", + " PeriodicSite: Cl (10.2, 15.02, 4.983) [0.5024, 0.7397, 0.2453]\n", + " PeriodicSite: Cl (10.33, 14.63, 15.14) [0.5088, 0.7203, 0.7456]\n", + " PeriodicSite: S (4.854, 0.1709, 4.981) [0.239, 0.008413, 0.2452]\n", + " PeriodicSite: S (5.016, 0.2565, 14.85) [0.247, 0.01263, 0.7309]\n", + " PeriodicSite: S (4.809, 9.992, 5.214) [0.2367, 0.4919, 0.2567]\n", + " PeriodicSite: S (5.468, 10.16, 15.26) [0.2692, 0.5004, 0.7513]\n", + " PeriodicSite: S (15.24, 0.03779, 5.004) [0.7501, 0.001854, 0.2464]\n", + " PeriodicSite: S (15.42, 0.04557, 15.1) [0.7593, 0.002238, 0.7432]\n", + " PeriodicSite: S (15.16, 10.38, 5.038) [0.7464, 0.5112, 0.248]\n", + " PeriodicSite: S (15.68, 9.793, 15.11) [0.7718, 0.4821, 0.7439]\n", + " PeriodicSite: S (4.83, 4.826, 0.1453) [0.2378, 0.2376, 0.007153]\n", + " PeriodicSite: S (4.846, 4.956, 10.48) [0.2386, 0.244, 0.5161]\n", + " PeriodicSite: S (5.216, 15.16, 0.4106) [0.2568, 0.7463, 0.02022]\n", + " PeriodicSite: S (4.891, 15.21, 10.04) [0.2408, 0.7486, 0.4942]\n", + " PeriodicSite: S (15.21, 4.68, 0.09066) [0.749, 0.2304, 0.004468]\n", + " PeriodicSite: S (15.19, 5.053, 9.904) [0.7479, 0.2488, 0.4876]\n", + " PeriodicSite: S (15.33, 15.59, 0.1779) [0.7546, 0.7674, 0.008762]\n", + " PeriodicSite: S (14.99, 15.24, 10.36) [0.7382, 0.7505, 0.5098]\n", + " PeriodicSite: S (8.66, 4.172, 8.566) [0.4264, 0.2054, 0.4217]\n", + " PeriodicSite: S (8.882, 4.042, 19.34) [0.4373, 0.199, 0.9521]\n", + " PeriodicSite: S (9.247, 13.78, 9.098) [0.4553, 0.6784, 0.4479]\n", + " PeriodicSite: S (8.976, 14.33, 18.92) [0.4419, 0.7054, 0.9315]\n", + " PeriodicSite: S (18.86, 3.42, 9.474) [0.9287, 0.1684, 0.4664]\n", + " PeriodicSite: S (19.14, 3.92, 19.24) [0.9425, 0.193, 0.9472]\n", + " PeriodicSite: S (18.91, 13.74, 8.904) [0.9311, 0.6765, 0.4383]\n", + " PeriodicSite: S (19.2, 14.29, 19.15) [0.9452, 0.7033, 0.9426]\n", + " PeriodicSite: S (3.744, 0.9079, 1.343) [0.1843, 0.0447, 0.06612]\n", + " PeriodicSite: S (3.713, 1.229, 11.17) [0.1828, 0.06048, 0.5498]\n", + " PeriodicSite: S (3.799, 11.41, 1.631) [0.187, 0.5615, 0.0803]\n", + " PeriodicSite: S (3.707, 11.22, 11.01) [0.1825, 0.5522, 0.542]\n", + " PeriodicSite: S (14.01, 1.047, 1.061) [0.6895, 0.05154, 0.05225]\n", + " PeriodicSite: S (14.2, 1.337, 11.16) [0.6989, 0.06583, 0.5496]\n", + " PeriodicSite: S (13.73, 11.63, 0.812) [0.6759, 0.5726, 0.03998]\n", + " PeriodicSite: S (14.22, 11.45, 11.36) [0.6999, 0.5635, 0.5593]\n", + " PeriodicSite: S (6.284, 1.269, 8.887) [0.3094, 0.06248, 0.4375]\n", + " PeriodicSite: S (6.468, 1.077, 19.52) [0.3184, 0.05303, 0.9612]\n", + " PeriodicSite: S (6.186, 11.23, 8.699) [0.3045, 0.553, 0.4283]\n", + " PeriodicSite: S (5.936, 11.28, 19.2) [0.2922, 0.5553, 0.9455]\n", + " PeriodicSite: S (16.44, 1.387, 8.716) [0.8091, 0.06827, 0.4291]\n", + " PeriodicSite: S (16.48, 1.307, 19.01) [0.8116, 0.06432, 0.936]\n", + " PeriodicSite: S (16.29, 11.42, 8.934) [0.802, 0.5621, 0.4398]\n", + " PeriodicSite: S (16.01, 11.23, 18.79) [0.7882, 0.5526, 0.9251]\n", + " PeriodicSite: S (0.958, 4.644, 1.568) [0.04716, 0.2286, 0.07718]\n", + " PeriodicSite: S (1.29, 3.83, 11.45) [0.0635, 0.1885, 0.5638]\n", + " PeriodicSite: S (1.192, 13.9, 0.9838) [0.05866, 0.6844, 0.04843]\n", + " PeriodicSite: S (1.011, 13.82, 11.15) [0.04978, 0.6805, 0.5489]\n", + " PeriodicSite: S (10.85, 3.423, 1.593) [0.5343, 0.1685, 0.07841]\n", + " PeriodicSite: S (10.88, 3.637, 11.14) [0.5358, 0.1791, 0.5483]\n", + " PeriodicSite: S (11.39, 14.67, 1.175) [0.5608, 0.7222, 0.05787]\n", + " PeriodicSite: S (11.46, 13.95, 11.51) [0.5644, 0.6866, 0.5668]\n", + " PeriodicSite: S (2.515, 2.572, 17.82) [0.1238, 0.1266, 0.8772]\n", + " PeriodicSite: S (2.489, 12.67, 7.423) [0.1225, 0.6238, 0.3654]\n", + " PeriodicSite: S (12.64, 2.465, 7.65) [0.6221, 0.1214, 0.3766]\n", + " PeriodicSite: S (8.687, 9.406, 4.142) [0.4277, 0.4631, 0.2039]\n", + " PeriodicSite: S (8.945, 8.979, 14.25) [0.4404, 0.442, 0.7016]\n", + " PeriodicSite: S (8.759, 19.18, 4.098) [0.4312, 0.9441, 0.2017]\n", + " PeriodicSite: S (8.643, 19.4, 14.38) [0.4255, 0.9548, 0.7082]\n", + " PeriodicSite: S (18.9, 9.323, 3.575) [0.9306, 0.459, 0.176]\n", + " PeriodicSite: S (19.18, 8.786, 14.46) [0.9443, 0.4325, 0.7119]\n", + " PeriodicSite: S (18.98, 19.51, 4.073) [0.9345, 0.9606, 0.2005]\n", + " PeriodicSite: S (19.2, 19.11, 14.34) [0.9454, 0.9407, 0.706]\n", + " PeriodicSite: S (3.497, 5.844, 6.327) [0.1722, 0.2877, 0.3115]\n", + " PeriodicSite: S (3.97, 6.272, 16.76) [0.1955, 0.3088, 0.8253]\n", + " PeriodicSite: S (4.039, 16.44, 6.381) [0.1988, 0.8093, 0.3141]\n", + " PeriodicSite: S (3.772, 15.98, 16.5) [0.1857, 0.7868, 0.8125]\n", + " PeriodicSite: S (13.95, 6.127, 6.245) [0.6866, 0.3016, 0.3075]\n", + " PeriodicSite: S (14.4, 6.449, 16.63) [0.7087, 0.3175, 0.8186]\n", + " PeriodicSite: S (13.99, 16.43, 6.325) [0.6888, 0.8089, 0.3114]\n", + " PeriodicSite: S (14.31, 16.02, 16.41) [0.7043, 0.7887, 0.8077]\n", + " PeriodicSite: S (6.198, 6.331, 4.43) [0.3051, 0.3117, 0.2181]\n", + " PeriodicSite: S (6.253, 6.296, 14.17) [0.3078, 0.31, 0.6975]\n", + " PeriodicSite: S (6.275, 16.78, 3.954) [0.3089, 0.8259, 0.1946]\n", + " PeriodicSite: S (6.153, 16.23, 14.12) [0.3029, 0.799, 0.6951]\n", + " PeriodicSite: S (16.45, 6.13, 4.012) [0.8098, 0.3018, 0.1975]\n", + " PeriodicSite: S (16.41, 6.031, 13.83) [0.8078, 0.2969, 0.6809]\n", + " PeriodicSite: S (16.43, 16.55, 3.943) [0.8089, 0.8148, 0.1941]\n", + " PeriodicSite: S (17.03, 16.21, 14.43) [0.8383, 0.7981, 0.7106]\n", + " PeriodicSite: S (0.8258, 8.854, 5.887) [0.04065, 0.4359, 0.2898]\n", + " PeriodicSite: S (1.55, 9.284, 16.51) [0.07632, 0.4571, 0.8126]\n", + " PeriodicSite: S (1.218, 18.91, 6.227) [0.05996, 0.9308, 0.3066]\n", + " PeriodicSite: S (0.9864, 19.36, 16.66) [0.04856, 0.9533, 0.8201]\n", + " PeriodicSite: S (11.49, 8.851, 5.765) [0.5659, 0.4357, 0.2838]\n", + " PeriodicSite: S (12.07, 9.135, 15.74) [0.594, 0.4497, 0.7751]\n", + " PeriodicSite: S (11.16, 19.28, 6.484) [0.5492, 0.9492, 0.3192]\n", + " PeriodicSite: S (10.89, 19.56, 16.84) [0.5362, 0.9631, 0.8292]\n", + " PeriodicSite: S (2.376, 18.01, 2.702) [0.117, 0.8866, 0.133]\n", + " PeriodicSite: S (2.377, 17.83, 12.79) [0.117, 0.8776, 0.6299]\n", + " PeriodicSite: S (12.77, 7.544, 12.53) [0.6289, 0.3714, 0.6171]\n", + " PeriodicSite: S (12.63, 18.19, 2.471) [0.6219, 0.8956, 0.1216]\n", + " PeriodicSite: S (4.035, 4.026, 3.653) [0.1986, 0.1982, 0.1798]\n", + " PeriodicSite: S (3.85, 3.854, 14.28) [0.1896, 0.1897, 0.703]\n", + " PeriodicSite: S (3.781, 14.25, 3.966) [0.1862, 0.7016, 0.1952]\n", + " PeriodicSite: S (3.964, 13.8, 13.78) [0.1951, 0.6794, 0.6786]\n", + " PeriodicSite: S (13.89, 3.996, 3.678) [0.6837, 0.1967, 0.1811]\n", + " PeriodicSite: S (13.94, 4.087, 14.28) [0.6865, 0.2012, 0.7032]\n", + " PeriodicSite: S (14.03, 14.15, 3.726) [0.6909, 0.6967, 0.1834]\n", + " PeriodicSite: S (14.5, 13.63, 14.07) [0.7137, 0.6712, 0.6929]\n", + " PeriodicSite: S (8.959, 1.281, 6.122) [0.4411, 0.06307, 0.3014]\n", + " PeriodicSite: S (8.187, 1.189, 16.92) [0.4031, 0.05853, 0.8329]\n", + " PeriodicSite: S (9.214, 11.51, 6.386) [0.4536, 0.5667, 0.3144]\n", + " PeriodicSite: S (9.624, 11.19, 16.61) [0.4738, 0.5508, 0.8177]\n", + " PeriodicSite: S (19.22, 1.183, 6.623) [0.9463, 0.05825, 0.326]\n", + " PeriodicSite: S (19.16, 1.641, 16.31) [0.9434, 0.08078, 0.8029]\n", + " PeriodicSite: S (19.07, 11.66, 5.968) [0.939, 0.5742, 0.2938]\n", + " PeriodicSite: S (19.23, 11.06, 16.99) [0.9466, 0.5446, 0.8365]\n", + " PeriodicSite: S (1.099, 1.484, 4.069) [0.05411, 0.07304, 0.2003]\n", + " PeriodicSite: S (1.227, 1.191, 14.11) [0.06043, 0.05865, 0.6946]\n", + " PeriodicSite: S (1.381, 11.11, 3.444) [0.068, 0.5468, 0.1695]\n", + " PeriodicSite: S (1.056, 11.59, 14.24) [0.05197, 0.5707, 0.7013]\n", + " PeriodicSite: S (11.34, 0.9036, 3.823) [0.5585, 0.04448, 0.1882]\n", + " PeriodicSite: S (10.83, 1.679, 14.79) [0.5334, 0.08263, 0.7283]\n", + " PeriodicSite: S (11.28, 11.58, 3.749) [0.5553, 0.5703, 0.1846]\n", + " PeriodicSite: S (10.95, 11.32, 13.42) [0.5393, 0.5575, 0.6605]\n", + " PeriodicSite: S (6.057, 3.828, 6.404) [0.2982, 0.1885, 0.3153]\n", + " PeriodicSite: S (6.512, 4.185, 16.8) [0.3206, 0.2061, 0.8271]\n", + " PeriodicSite: S (6.557, 14.09, 6.028) [0.3228, 0.6938, 0.2968]\n", + " PeriodicSite: S (6.17, 13.67, 16.25) [0.3038, 0.6732, 0.8001]\n", + " PeriodicSite: S (16.33, 3.588, 6.074) [0.8039, 0.1766, 0.299]\n", + " PeriodicSite: S (16.51, 3.664, 16.32) [0.813, 0.1804, 0.8035]\n", + " PeriodicSite: S (16.59, 14.25, 6.334) [0.8166, 0.7017, 0.3118]\n", + " PeriodicSite: S (16.88, 13.74, 16.48) [0.8308, 0.6764, 0.8114]\n", + " PeriodicSite: S (7.23, 2.354, 12.6) [0.3559, 0.1159, 0.6202]\n", + " PeriodicSite: S (7.724, 12.7, 2.021) [0.3803, 0.6251, 0.09948]\n", + " PeriodicSite: S (17.75, 2.469, 2.612) [0.874, 0.1215, 0.1286]\n", + " PeriodicSite: S (17.54, 12.67, 2.082) [0.8635, 0.6238, 0.1025]\n", + " PeriodicSite: S (18.08, 12.24, 12.71) [0.8901, 0.6027, 0.6259]\n", + " PeriodicSite: S (3.755, 8.979, 8.774) [0.1849, 0.442, 0.4319]\n", + " PeriodicSite: S (3.438, 9.331, 19.38) [0.1692, 0.4594, 0.9539]\n", + " PeriodicSite: S (3.803, 19.25, 8.925) [0.1872, 0.9479, 0.4394]\n", + " PeriodicSite: S (3.98, 19.26, 18.94) [0.1959, 0.9481, 0.9325]\n", + " PeriodicSite: S (13.86, 8.891, 8.946) [0.6825, 0.4377, 0.4404]\n", + " PeriodicSite: S (13.53, 8.952, 18.95) [0.6662, 0.4407, 0.933]\n", + " PeriodicSite: S (14.04, 19.21, 8.744) [0.691, 0.9457, 0.4305]\n", + " PeriodicSite: S (14.17, 19.28, 18.79) [0.6974, 0.949, 0.9252]\n", + " PeriodicSite: S (9.114, 6.119, 1.558) [0.4487, 0.3012, 0.07671]\n", + " PeriodicSite: S (8.514, 6.093, 11.24) [0.4192, 0.2999, 0.5532]\n", + " PeriodicSite: S (8.868, 16.79, 0.9624) [0.4366, 0.8266, 0.04738]\n", + " PeriodicSite: S (8.975, 16.2, 11.09) [0.4418, 0.7978, 0.5459]\n", + " PeriodicSite: S (18.51, 6.775, 0.6604) [0.9113, 0.3335, 0.03252]\n", + " PeriodicSite: S (19.48, 6.411, 11.03) [0.9592, 0.3156, 0.543]\n", + " PeriodicSite: S (19.52, 16.65, 1.205) [0.9611, 0.8196, 0.05931]\n", + " PeriodicSite: S (18.9, 16.03, 11.14) [0.9305, 0.7891, 0.5482]\n", + " PeriodicSite: S (0.9817, 5.439, 8.563) [0.04833, 0.2677, 0.4215]\n", + " PeriodicSite: S (1.266, 6.433, 19.29) [0.06233, 0.3167, 0.9497]\n", + " PeriodicSite: S (1.206, 16.05, 8.824) [0.05938, 0.7902, 0.4344]\n", + " PeriodicSite: S (1.299, 16.42, 18.96) [0.06393, 0.8081, 0.9336]\n", + " PeriodicSite: S (11.12, 6.567, 9.28) [0.5474, 0.3233, 0.4569]\n", + " PeriodicSite: S (11.48, 6.114, 19.63) [0.565, 0.301, 0.9666]\n", + " PeriodicSite: S (11.6, 16.24, 8.906) [0.5712, 0.7995, 0.4385]\n", + " PeriodicSite: S (11.41, 16.73, 18.96) [0.5618, 0.8238, 0.9334]\n", + " PeriodicSite: S (6.136, 8.939, 1.145) [0.3021, 0.4401, 0.05637]\n", + " PeriodicSite: S (6.149, 9.049, 11.32) [0.3027, 0.4455, 0.5571]\n", + " PeriodicSite: S (5.901, 18.73, 1.179) [0.2905, 0.9219, 0.05805]\n", + " PeriodicSite: S (6.159, 19.08, 11.17) [0.3032, 0.9392, 0.5497]\n", + " PeriodicSite: S (15.93, 8.88, 0.9178) [0.7842, 0.4372, 0.04519]\n", + " PeriodicSite: S (16.35, 8.823, 11.12) [0.8051, 0.4344, 0.5475]\n", + " PeriodicSite: S (16.42, 19.01, 1.035) [0.8082, 0.9358, 0.05096]\n", + " PeriodicSite: S (16.51, 19.26, 11.08) [0.8126, 0.9484, 0.5453]\n", + " PeriodicSite: S (7.778, 7.661, 17.93) [0.3829, 0.3772, 0.8827]\n", + " PeriodicSite: S (7.562, 17.65, 7.462) [0.3723, 0.869, 0.3674]\n", + " PeriodicSite: S (17.68, 7.956, 7.386) [0.8703, 0.3917, 0.3636]\n", + " PeriodicSite: S (17.69, 17.58, 7.495) [0.8709, 0.8655, 0.369]\n", + " PeriodicSite: P (5.063, 20.27, 0.0494) [0.2493, 0.9981, 0.002435]\n", + " PeriodicSite: P (4.997, 0.006958, 10.1) [0.246, 0.0003411, 0.4974]\n", + " PeriodicSite: P (4.829, 10.2, 0.1893) [0.2377, 0.5022, 0.009323]\n", + " PeriodicSite: P (5.061, 10.14, 9.926) [0.2492, 0.4994, 0.4887]\n", + " PeriodicSite: P (15.32, 20.29, 20.09) [0.7541, 0.9991, 0.9892]\n", + " PeriodicSite: P (15.3, 0.1497, 10.02) [0.7534, 0.007363, 0.4933]\n", + " PeriodicSite: P (14.83, 10.08, 20.0) [0.73, 0.4963, 0.9848]\n", + " PeriodicSite: P (15.12, 10.18, 9.996) [0.7441, 0.501, 0.4921]\n", + " PeriodicSite: P (4.931, 5.1, 5.223) [0.2428, 0.2511, 0.2571]\n", + " PeriodicSite: P (5.165, 5.113, 15.43) [0.2543, 0.2517, 0.7596]\n", + " PeriodicSite: P (5.151, 15.4, 5.079) [0.2536, 0.7581, 0.25]\n", + " PeriodicSite: P (4.949, 14.98, 15.16) [0.2437, 0.7376, 0.7465]\n", + " PeriodicSite: P (15.17, 4.841, 5.056) [0.7468, 0.2383, 0.2489]\n", + " PeriodicSite: P (15.36, 5.075, 15.38) [0.7564, 0.2499, 0.757]\n", + " PeriodicSite: P (15.19, 15.22, 5.014) [0.7479, 0.7494, 0.2469]\n", + " PeriodicSite: P (15.59, 14.82, 15.28) [0.7673, 0.7297, 0.7522]\n", + " PeriodicSite: P (0.1492, 0.1929, 5.235) [0.007345, 0.009495, 0.2577]\n", + " PeriodicSite: P (20.3, 0.2273, 15.3) [0.9993, 0.01118, 0.7533]\n", + " PeriodicSite: P (20.11, 10.38, 4.841) [0.9898, 0.511, 0.2383]\n", + " PeriodicSite: P (20.31, 10.17, 15.44) [0.9998, 0.5006, 0.7603]\n", + " PeriodicSite: P (10.19, 20.3, 5.073) [0.5016, 0.9992, 0.2498]\n", + " PeriodicSite: P (9.625, 0.3405, 15.81) [0.4738, 0.01676, 0.7783]\n", + " PeriodicSite: P (10.24, 10.24, 5.049) [0.5039, 0.5043, 0.2486]\n", + " PeriodicSite: P (10.42, 10.24, 15.04) [0.5128, 0.5043, 0.7404]\n", + " PeriodicSite: P (20.09, 5.455, 0.05906) [0.9889, 0.2686, 0.002913]\n", + " PeriodicSite: P (20.31, 4.753, 10.18) [0.9999, 0.234, 0.5012]\n", + " PeriodicSite: P (0.05477, 15.34, 20.26) [0.002695, 0.7553, 0.9973]\n", + " PeriodicSite: P (20.12, 14.94, 9.895) [0.9906, 0.7353, 0.4872]\n", + " PeriodicSite: P (10.14, 4.825, 0.3132) [0.4992, 0.2375, 0.01542]\n", + " PeriodicSite: P (9.856, 5.068, 10.02) [0.4852, 0.2495, 0.4931]\n", + " PeriodicSite: P (10.06, 15.59, 20.13) [0.4954, 0.7674, 0.9913]\n", + " PeriodicSite: P (10.45, 15.06, 10.22) [0.5145, 0.7416, 0.5033],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.839, 5.238, 4.006) [0.09054, 0.2579, 0.1972]\n", + " PeriodicSite: Li (1.843, 3.223, 15.78) [0.09074, 0.1587, 0.777]\n", + " PeriodicSite: Li (0.3371, 12.11, 7.824) [0.01659, 0.5964, 0.3852]\n", + " PeriodicSite: Li (1.65, 14.96, 17.04) [0.08124, 0.7363, 0.8388]\n", + " PeriodicSite: Li (14.48, 0.5781, 7.273) [0.7128, 0.02845, 0.3581]\n", + " PeriodicSite: Li (11.69, 3.383, 15.88) [0.5753, 0.1665, 0.7816]\n", + " PeriodicSite: Li (16.93, 12.3, 4.771) [0.8333, 0.6056, 0.2349]\n", + " PeriodicSite: Li (17.6, 8.779, 15.48) [0.8666, 0.4322, 0.7623]\n", + " PeriodicSite: Li (3.136, 4.41, 8.645) [0.1544, 0.2171, 0.4256]\n", + " PeriodicSite: Li (2.644, 0.7938, 19.23) [0.1302, 0.03908, 0.9467]\n", + " PeriodicSite: Li (5.133, 8.098, 6.645) [0.2527, 0.3987, 0.3272]\n", + " PeriodicSite: Li (7.452, 10.01, 16.32) [0.3669, 0.4929, 0.8034]\n", + " PeriodicSite: Li (11.79, 4.579, 7.072) [0.5802, 0.2254, 0.3482]\n", + " PeriodicSite: Li (13.01, 3.607, 0.447) [0.6403, 0.1776, 0.02201]\n", + " PeriodicSite: Li (12.46, 9.822, 11.47) [0.6134, 0.4835, 0.5648]\n", + " PeriodicSite: Li (9.305, 18.45, 18.3) [0.4581, 0.9085, 0.9007]\n", + " PeriodicSite: Li (5.134, 1.74, 6.702) [0.2528, 0.08565, 0.3299]\n", + " PeriodicSite: Li (3.033, 1.118, 15.96) [0.1493, 0.05503, 0.7859]\n", + " PeriodicSite: Li (4.163, 10.9, 7.369) [0.205, 0.5367, 0.3628]\n", + " PeriodicSite: Li (5.625, 11.88, 14.65) [0.2769, 0.585, 0.7211]\n", + " PeriodicSite: Li (12.45, 0.5298, 9.696) [0.6131, 0.02608, 0.4773]\n", + " PeriodicSite: Li (10.5, 1.245, 18.41) [0.5168, 0.0613, 0.9064]\n", + " PeriodicSite: Li (14.44, 14.48, 7.736) [0.7108, 0.713, 0.3808]\n", + " PeriodicSite: Li (11.33, 10.81, 17.59) [0.5576, 0.5321, 0.866]\n", + " PeriodicSite: Li (0.4404, 3.563, 7.307) [0.02168, 0.1754, 0.3597]\n", + " PeriodicSite: Li (0.2815, 2.463, 18.15) [0.01386, 0.1213, 0.8935]\n", + " PeriodicSite: Li (1.888, 14.89, 6.716) [0.09296, 0.7333, 0.3307]\n", + " PeriodicSite: Li (2.904, 13.17, 20.29) [0.143, 0.6483, 0.9991]\n", + " PeriodicSite: Li (13.27, 1.884, 5.108) [0.6532, 0.09275, 0.2515]\n", + " PeriodicSite: Li (13.9, 19.92, 16.65) [0.6845, 0.9807, 0.8197]\n", + " PeriodicSite: Li (10.52, 11.59, 8.807) [0.518, 0.5705, 0.4336]\n", + " PeriodicSite: Li (15.56, 16.82, 18.48) [0.7662, 0.828, 0.91]\n", + " PeriodicSite: Li (7.39, 0.975, 4.655) [0.3638, 0.048, 0.2292]\n", + " PeriodicSite: Li (1.561, 19.95, 2.134) [0.07685, 0.9823, 0.1051]\n", + " PeriodicSite: Li (2.85, 14.03, 9.646) [0.1403, 0.6909, 0.4749]\n", + " PeriodicSite: Li (0.6921, 17.74, 14.77) [0.03407, 0.8734, 0.7272]\n", + " PeriodicSite: Li (14.8, 4.162, 7.894) [0.7285, 0.2049, 0.3886]\n", + " PeriodicSite: Li (15.11, 3.154, 18.52) [0.7438, 0.1553, 0.912]\n", + " PeriodicSite: Li (18.73, 15.73, 6.453) [0.9221, 0.7743, 0.3177]\n", + " PeriodicSite: Li (11.84, 12.45, 19.94) [0.5828, 0.6128, 0.9815]\n", + " PeriodicSite: Li (4.513, 1.838, 3.811) [0.2222, 0.09049, 0.1876]\n", + " PeriodicSite: Li (4.956, 3.287, 18.57) [0.244, 0.1618, 0.9141]\n", + " PeriodicSite: Li (3.323, 12.02, 5.135) [0.1636, 0.592, 0.2528]\n", + " PeriodicSite: Li (19.81, 12.46, 2.883) [0.9752, 0.6132, 0.1419]\n", + " PeriodicSite: Li (10.39, 2.083, 8.382) [0.5116, 0.1026, 0.4126]\n", + " PeriodicSite: Li (16.96, 19.94, 16.6) [0.8351, 0.9816, 0.8172]\n", + " PeriodicSite: Li (13.76, 11.63, 4.17) [0.6775, 0.5727, 0.2053]\n", + " PeriodicSite: Li (14.7, 9.219, 16.56) [0.7237, 0.4538, 0.8152]\n", + " PeriodicSite: Li (4.037, 10.68, 17.53) [0.1987, 0.5259, 0.863]\n", + " PeriodicSite: Li (2.096, 10.64, 9.299) [0.1032, 0.5237, 0.4578]\n", + " PeriodicSite: Li (2.221, 17.88, 20.12) [0.1093, 0.8803, 0.9903]\n", + " PeriodicSite: Li (1.904, 0.9273, 9.29) [0.09372, 0.04565, 0.4573]\n", + " PeriodicSite: Li (12.61, 5.541, 4.056) [0.6206, 0.2728, 0.1997]\n", + " PeriodicSite: Li (13.19, 9.616, 13.93) [0.6495, 0.4734, 0.6857]\n", + " PeriodicSite: Li (11.78, 14.61, 7.101) [0.58, 0.7195, 0.3496]\n", + " PeriodicSite: Li (13.47, 20.06, 13.29) [0.6634, 0.9877, 0.6541]\n", + " PeriodicSite: Li (3.077, 6.552, 0.4857) [0.1515, 0.3225, 0.02391]\n", + " PeriodicSite: Li (3.167, 4.681, 12.11) [0.1559, 0.2304, 0.5961]\n", + " PeriodicSite: Li (6.661, 16.77, 19.6) [0.3279, 0.8258, 0.9649]\n", + " PeriodicSite: Li (4.831, 18.26, 15.79) [0.2378, 0.899, 0.7773]\n", + " PeriodicSite: Li (15.15, 6.808, 1.484) [0.746, 0.3352, 0.07307]\n", + " PeriodicSite: Li (10.87, 7.293, 11.41) [0.5352, 0.359, 0.5615]\n", + " PeriodicSite: Li (13.47, 18.23, 4.737) [0.6633, 0.8975, 0.2332]\n", + " PeriodicSite: Li (10.31, 18.06, 12.88) [0.5077, 0.889, 0.634]\n", + " PeriodicSite: Li (1.085, 8.952, 1.029) [0.05342, 0.4407, 0.05064]\n", + " PeriodicSite: Li (3.059, 7.105, 9.898) [0.1506, 0.3498, 0.4873]\n", + " PeriodicSite: Li (5.06, 17.16, 1.38) [0.2491, 0.8446, 0.06792]\n", + " PeriodicSite: Li (2.629, 16.99, 10.22) [0.1294, 0.8362, 0.5031]\n", + " PeriodicSite: Li (11.92, 9.061, 0.9599) [0.5868, 0.4461, 0.04726]\n", + " PeriodicSite: Li (12.36, 6.837, 14.62) [0.6086, 0.3366, 0.7197]\n", + " PeriodicSite: Li (11.88, 15.21, 3.683) [0.5849, 0.7486, 0.1813]\n", + " PeriodicSite: Li (13.95, 15.28, 12.58) [0.6867, 0.7522, 0.6193]\n", + " PeriodicSite: Li (19.97, 6.959, 3.407) [0.9833, 0.3426, 0.1677]\n", + " PeriodicSite: Li (16.92, 6.708, 9.935) [0.8332, 0.3302, 0.4891]\n", + " PeriodicSite: Li (2.456, 17.72, 4.891) [0.1209, 0.8723, 0.2408]\n", + " PeriodicSite: Li (0.01871, 18.23, 12.13) [0.0009163, 0.8975, 0.5972]\n", + " PeriodicSite: Li (10.31, 7.342, 4.029) [0.5075, 0.3614, 0.1983]\n", + " PeriodicSite: Li (15.47, 8.124, 13.13) [0.7616, 0.3999, 0.6465]\n", + " PeriodicSite: Li (13.32, 16.21, 0.674) [0.656, 0.7978, 0.03319]\n", + " PeriodicSite: Li (11.41, 15.29, 17.65) [0.5616, 0.7527, 0.8692]\n", + " PeriodicSite: Li (5.427, 8.243, 3.303) [0.2672, 0.4058, 0.1626]\n", + " PeriodicSite: Li (20.3, 11.78, 11.96) [0.9992, 0.5799, 0.589]\n", + " PeriodicSite: Li (0.1045, 17.18, 3.165) [0.005139, 0.8458, 0.1558]\n", + " PeriodicSite: Li (2.956, 19.65, 13.07) [0.1455, 0.9674, 0.6435]\n", + " PeriodicSite: Li (16.55, 10.51, 2.396) [0.8148, 0.5173, 0.118]\n", + " PeriodicSite: Li (13.45, 7.159, 10.01) [0.6622, 0.3525, 0.493]\n", + " PeriodicSite: Li (12.15, 19.13, 0.6836) [0.5979, 0.9418, 0.03366]\n", + " PeriodicSite: Li (13.66, 17.06, 10.28) [0.6724, 0.8397, 0.5061]\n", + " PeriodicSite: Li (3.097, 3.306, 0.4278) [0.1525, 0.1628, 0.02106]\n", + " PeriodicSite: Li (5.065, 8.124, 13.32) [0.2494, 0.3999, 0.6557]\n", + " PeriodicSite: Li (4.437, 19.24, 3.137) [0.2184, 0.9472, 0.1544]\n", + " PeriodicSite: Li (1.715, 15.03, 13.03) [0.08445, 0.7401, 0.6416]\n", + " PeriodicSite: Li (13.88, 8.495, 4.755) [0.6833, 0.4182, 0.2341]\n", + " PeriodicSite: Li (14.48, 5.715, 12.22) [0.713, 0.2813, 0.6018]\n", + " PeriodicSite: Li (15.46, 17.24, 2.103) [0.761, 0.8489, 0.1035]\n", + " PeriodicSite: Li (18.35, 3.549, 15.04) [0.9035, 0.1747, 0.7405]\n", + " PeriodicSite: Li (9.225, 3.601, 3.355) [0.4542, 0.1773, 0.1652]\n", + " PeriodicSite: Li (9.288, 3.505, 12.43) [0.4572, 0.1726, 0.6118]\n", + " PeriodicSite: Li (6.626, 10.98, 3.888) [0.3262, 0.5405, 0.1914]\n", + " PeriodicSite: Li (3.326, 10.73, 14.58) [0.1637, 0.5282, 0.718]\n", + " PeriodicSite: Li (17.48, 1.454, 4.527) [0.8604, 0.07158, 0.2229]\n", + " PeriodicSite: Li (13.4, 3.43, 10.44) [0.6597, 0.1689, 0.5139]\n", + " PeriodicSite: Li (17.59, 12.03, 0.2134) [0.8661, 0.5922, 0.01051]\n", + " PeriodicSite: Li (17.68, 10.52, 13.71) [0.8705, 0.5179, 0.675]\n", + " PeriodicSite: Li (6.114, 18.18, 5.6) [0.301, 0.895, 0.2757]\n", + " PeriodicSite: Li (7.472, 2.092, 14.8) [0.3679, 0.103, 0.7285]\n", + " PeriodicSite: Li (7.469, 13.11, 20.22) [0.3677, 0.6454, 0.9953]\n", + " PeriodicSite: Li (9.164, 14.53, 13.06) [0.4511, 0.7153, 0.6428]\n", + " PeriodicSite: Li (13.34, 20.04, 2.91) [0.6569, 0.9868, 0.1433]\n", + " PeriodicSite: Li (19.53, 2.093, 11.14) [0.9613, 0.103, 0.5486]\n", + " PeriodicSite: Li (17.54, 14.75, 1.238) [0.8633, 0.726, 0.06095]\n", + " PeriodicSite: Li (17.32, 14.97, 12.03) [0.8526, 0.7371, 0.5921]\n", + " PeriodicSite: Li (8.26, 5.816, 6.683) [0.4067, 0.2863, 0.329]\n", + " PeriodicSite: Li (6.625, 20.3, 13.28) [0.3261, 0.9993, 0.6538]\n", + " PeriodicSite: Li (9.877, 13.2, 2.749) [0.4863, 0.6498, 0.1353]\n", + " PeriodicSite: Li (5.049, 13.28, 11.8) [0.2486, 0.6538, 0.5808]\n", + " PeriodicSite: Li (20.09, 2.822, 2.979) [0.9892, 0.1389, 0.1467]\n", + " PeriodicSite: Li (0.4757, 7.004, 13.03) [0.02342, 0.3448, 0.6417]\n", + " PeriodicSite: Li (15.32, 13.5, 1.653) [0.7545, 0.6648, 0.08141]\n", + " PeriodicSite: Li (15.78, 12.35, 13.36) [0.7771, 0.6081, 0.6579]\n", + " PeriodicSite: Li (2.894, 20.28, 6.478) [0.1425, 0.9983, 0.3189]\n", + " PeriodicSite: Li (5.044, 2.097, 13.42) [0.2483, 0.1032, 0.6604]\n", + " PeriodicSite: Li (5.242, 13.53, 1.857) [0.2581, 0.6661, 0.0914]\n", + " PeriodicSite: Li (8.416, 7.02, 15.83) [0.4143, 0.3456, 0.7791]\n", + " PeriodicSite: Li (17.3, 4.906, 1.653) [0.8517, 0.2415, 0.08139]\n", + " PeriodicSite: Li (17.16, 0.2762, 13.34) [0.8447, 0.01359, 0.6566]\n", + " PeriodicSite: Li (14.68, 13.83, 18.69) [0.7229, 0.6807, 0.92]\n", + " PeriodicSite: Li (16.87, 13.29, 10.28) [0.8306, 0.6544, 0.5063]\n", + " PeriodicSite: Li (6.761, 3.137, 0.6311) [0.3328, 0.1545, 0.03107]\n", + " PeriodicSite: Li (5.471, 2.477, 10.47) [0.2693, 0.122, 0.5155]\n", + " PeriodicSite: Li (8.274, 10.86, 1.553) [0.4073, 0.5349, 0.07645]\n", + " PeriodicSite: Li (8.836, 11.09, 12.76) [0.435, 0.5459, 0.6284]\n", + " PeriodicSite: Li (15.3, 1.677, 2.76) [0.7534, 0.08256, 0.1359]\n", + " PeriodicSite: Li (16.78, 3.579, 10.59) [0.826, 0.1762, 0.5216]\n", + " PeriodicSite: Li (0.7934, 11.2, 18.73) [0.03906, 0.5515, 0.9219]\n", + " PeriodicSite: Li (18.85, 13.01, 14.79) [0.9281, 0.6406, 0.728]\n", + " PeriodicSite: Li (9.537, 0.5709, 2.143) [0.4695, 0.0281, 0.1055]\n", + " PeriodicSite: Li (7.966, 1.098, 10.98) [0.3922, 0.05405, 0.5405]\n", + " PeriodicSite: Li (8.246, 13.2, 5.089) [0.406, 0.6497, 0.2505]\n", + " PeriodicSite: Li (4.616, 17.41, 11.98) [0.2273, 0.857, 0.59]\n", + " PeriodicSite: Li (16.88, 2.882, 0.533) [0.831, 0.1419, 0.02625]\n", + " PeriodicSite: Li (2.163, 6.924, 14.9) [0.1065, 0.3409, 0.7337]\n", + " PeriodicSite: Li (4.916, 13.55, 8.092) [0.242, 0.667, 0.3984]\n", + " PeriodicSite: Li (13.62, 13.34, 10.31) [0.6708, 0.6567, 0.5075]\n", + " PeriodicSite: Li (14.61, 11.0, 7.457) [0.7195, 0.5417, 0.3671]\n", + " PeriodicSite: Li (5.758, 8.08, 16.85) [0.2835, 0.3978, 0.8296]\n", + " PeriodicSite: Li (7.072, 15.15, 11.12) [0.3482, 0.7457, 0.5473]\n", + " PeriodicSite: Li (4.586, 14.94, 18.2) [0.2258, 0.7356, 0.8959]\n", + " PeriodicSite: Li (17.18, 10.19, 6.815) [0.8459, 0.5018, 0.3355]\n", + " PeriodicSite: Li (2.998, 5.04, 18.26) [0.1476, 0.2481, 0.8987]\n", + " PeriodicSite: Li (16.85, 18.7, 5.19) [0.8293, 0.9207, 0.2555]\n", + " PeriodicSite: Li (19.91, 18.45, 18.67) [0.9801, 0.9085, 0.9192]\n", + " PeriodicSite: Li (7.283, 10.15, 7.281) [0.3586, 0.4995, 0.3585]\n", + " PeriodicSite: Li (9.972, 5.347, 17.83) [0.4909, 0.2632, 0.8776]\n", + " PeriodicSite: Li (8.007, 19.92, 7.574) [0.3942, 0.9806, 0.3729]\n", + " PeriodicSite: Li (7.604, 15.84, 15.79) [0.3744, 0.78, 0.7775]\n", + " PeriodicSite: Li (17.87, 9.661, 9.431) [0.8799, 0.4756, 0.4643]\n", + " PeriodicSite: Li (17.22, 5.676, 19.13) [0.8478, 0.2794, 0.9417]\n", + " PeriodicSite: Li (18.11, 20.18, 8.546) [0.8918, 0.9934, 0.4207]\n", + " PeriodicSite: Li (18.34, 15.63, 16.41) [0.9028, 0.7695, 0.808]\n", + " PeriodicSite: Li (6.546, 5.252, 8.599) [0.3223, 0.2585, 0.4234]\n", + " PeriodicSite: Li (7.001, 6.181, 19.5) [0.3447, 0.3043, 0.9601]\n", + " PeriodicSite: Li (8.88, 17.74, 9.665) [0.4372, 0.8732, 0.4758]\n", + " PeriodicSite: Li (11.2, 13.2, 15.0) [0.5515, 0.6499, 0.7383]\n", + " PeriodicSite: Li (19.9, 7.595, 8.034) [0.9799, 0.3739, 0.3955]\n", + " PeriodicSite: Li (20.08, 7.105, 16.98) [0.9885, 0.3498, 0.836]\n", + " PeriodicSite: Li (17.25, 16.37, 9.315) [0.8495, 0.806, 0.4586]\n", + " PeriodicSite: Li (17.23, 17.11, 20.26) [0.8481, 0.8425, 0.9974]\n", + " PeriodicSite: Li (8.312, 8.374, 10.26) [0.4092, 0.4123, 0.5051]\n", + " PeriodicSite: Li (5.745, 5.405, 2.253) [0.2828, 0.2661, 0.1109]\n", + " PeriodicSite: Li (5.841, 17.04, 8.56) [0.2875, 0.8388, 0.4214]\n", + " PeriodicSite: Li (7.217, 15.17, 1.895) [0.3553, 0.7467, 0.0933]\n", + " PeriodicSite: Li (15.45, 7.293, 7.196) [0.7604, 0.359, 0.3543]\n", + " PeriodicSite: Li (18.25, 8.448, 19.92) [0.8984, 0.4159, 0.9808]\n", + " PeriodicSite: Li (15.31, 17.45, 7.901) [0.7535, 0.8591, 0.389]\n", + " PeriodicSite: Li (15.13, 17.9, 15.02) [0.7447, 0.8812, 0.7397]\n", + " PeriodicSite: Li (6.503, 5.066, 11.85) [0.3202, 0.2494, 0.5836]\n", + " PeriodicSite: Li (7.194, 9.359, 19.21) [0.3542, 0.4608, 0.9457]\n", + " PeriodicSite: Li (9.491, 17.57, 5.687) [0.4673, 0.8648, 0.28]\n", + " PeriodicSite: Li (10.47, 18.23, 2.417) [0.5154, 0.8974, 0.119]\n", + " PeriodicSite: Li (16.94, 8.172, 4.858) [0.8342, 0.4023, 0.2392]\n", + " PeriodicSite: Li (13.27, 5.42, 18.47) [0.6534, 0.2668, 0.9093]\n", + " PeriodicSite: Li (19.87, 17.97, 8.225) [0.978, 0.8846, 0.4049]\n", + " PeriodicSite: Li (18.68, 0.5511, 1.458) [0.9197, 0.02712, 0.0718]\n", + " PeriodicSite: Li (2.478, 9.144, 4.393) [0.122, 0.4502, 0.2163]\n", + " PeriodicSite: Li (9.735, 7.896, 19.69) [0.4793, 0.3887, 0.9693]\n", + " PeriodicSite: Li (8.353, 15.42, 7.145) [0.4112, 0.7591, 0.3517]\n", + " PeriodicSite: Li (6.343, 0.4635, 17.05) [0.3123, 0.02282, 0.8395]\n", + " PeriodicSite: Li (18.03, 5.854, 5.761) [0.8875, 0.2882, 0.2836]\n", + " PeriodicSite: Li (16.6, 11.38, 16.52) [0.8172, 0.5601, 0.8134]\n", + " PeriodicSite: Li (2.341, 15.44, 2.772) [0.1152, 0.7603, 0.1365]\n", + " PeriodicSite: Li (15.37, 2.338, 15.22) [0.7565, 0.1151, 0.7494]\n", + " PeriodicSite: Cl (7.326, 12.67, 12.34) [0.3607, 0.6235, 0.6073]\n", + " PeriodicSite: Cl (2.738, 12.79, 17.99) [0.1348, 0.6297, 0.8854]\n", + " PeriodicSite: Cl (12.59, 17.32, 12.8) [0.62, 0.8525, 0.6301]\n", + " PeriodicSite: Cl (17.9, 7.56, 17.77) [0.8812, 0.3722, 0.8749]\n", + " PeriodicSite: Cl (7.375, 2.43, 2.66) [0.3631, 0.1196, 0.131]\n", + " PeriodicSite: Cl (7.475, 7.659, 7.818) [0.368, 0.3771, 0.3849]\n", + " PeriodicSite: Cl (12.78, 12.53, 8.005) [0.6293, 0.6167, 0.3941]\n", + " PeriodicSite: Cl (2.385, 7.434, 2.756) [0.1174, 0.366, 0.1357]\n", + " PeriodicSite: Cl (2.86, 7.392, 12.8) [0.1408, 0.3639, 0.6299]\n", + " PeriodicSite: Cl (12.61, 13.03, 17.71) [0.6208, 0.6413, 0.8716]\n", + " PeriodicSite: Cl (17.75, 17.73, 17.96) [0.8737, 0.8728, 0.8841]\n", + " PeriodicSite: Cl (2.657, 2.243, 7.568) [0.1308, 0.1104, 0.3726]\n", + " PeriodicSite: Cl (12.68, 3.162, 18.18) [0.6243, 0.1557, 0.895]\n", + " PeriodicSite: Cl (12.85, 7.915, 2.719) [0.6324, 0.3897, 0.1339]\n", + " PeriodicSite: Cl (17.5, 2.582, 12.56) [0.8615, 0.1271, 0.6183]\n", + " PeriodicSite: Cl (7.498, 17.64, 17.48) [0.3691, 0.8683, 0.8604]\n", + " PeriodicSite: Cl (0.2742, 20.09, 0.1966) [0.01349, 0.989, 0.009682]\n", + " PeriodicSite: Cl (0.1088, 19.96, 10.42) [0.005349, 0.9826, 0.5128]\n", + " PeriodicSite: Cl (19.77, 10.46, 0.1792) [0.9735, 0.5151, 0.008827]\n", + " PeriodicSite: Cl (0.07498, 10.26, 9.585) [0.003689, 0.5051, 0.4719]\n", + " PeriodicSite: Cl (10.16, 20.19, 0.05689) [0.5004, 0.9938, 0.002805]\n", + " PeriodicSite: Cl (9.895, 20.27, 9.862) [0.4871, 0.9977, 0.4855]\n", + " PeriodicSite: Cl (10.02, 10.14, 20.3) [0.4931, 0.4994, 0.9995]\n", + " PeriodicSite: Cl (10.28, 9.83, 10.29) [0.5059, 0.484, 0.5067]\n", + " PeriodicSite: Cl (19.84, 4.936, 4.65) [0.977, 0.243, 0.2289]\n", + " PeriodicSite: Cl (0.6261, 5.424, 15.52) [0.03082, 0.267, 0.764]\n", + " PeriodicSite: Cl (0.2547, 15.44, 4.715) [0.01253, 0.7601, 0.2321]\n", + " PeriodicSite: Cl (20.24, 15.34, 15.37) [0.9963, 0.7553, 0.7565]\n", + " PeriodicSite: Cl (10.47, 5.165, 5.293) [0.5152, 0.2543, 0.2606]\n", + " PeriodicSite: Cl (10.29, 5.289, 15.51) [0.5067, 0.2604, 0.7635]\n", + " PeriodicSite: Cl (10.05, 15.07, 5.111) [0.4946, 0.7419, 0.2516]\n", + " PeriodicSite: Cl (9.594, 15.2, 15.19) [0.4723, 0.7485, 0.748]\n", + " PeriodicSite: S (5.136, 0.1297, 5.223) [0.2528, 0.006384, 0.2571]\n", + " PeriodicSite: S (5.062, 0.1691, 15.03) [0.2492, 0.008325, 0.7398]\n", + " PeriodicSite: S (4.961, 9.998, 5.339) [0.2442, 0.4922, 0.2628]\n", + " PeriodicSite: S (5.062, 9.912, 15.68) [0.2492, 0.488, 0.7721]\n", + " PeriodicSite: S (15.03, 0.002202, 4.677) [0.74, 0.0001019, 0.2303]\n", + " PeriodicSite: S (15.4, 0.07804, 14.88) [0.7581, 0.003836, 0.7323]\n", + " PeriodicSite: S (15.54, 10.4, 5.079) [0.7649, 0.5119, 0.2501]\n", + " PeriodicSite: S (15.68, 10.1, 14.59) [0.772, 0.497, 0.718]\n", + " PeriodicSite: S (4.835, 4.979, 20.08) [0.238, 0.2451, 0.9885]\n", + " PeriodicSite: S (4.769, 5.103, 10.24) [0.2348, 0.2512, 0.5043]\n", + " PeriodicSite: S (5.324, 15.02, 0.1892) [0.2621, 0.7395, 0.009318]\n", + " PeriodicSite: S (4.966, 15.15, 10.02) [0.2445, 0.746, 0.4934]\n", + " PeriodicSite: S (15.47, 4.771, 20.29) [0.7615, 0.2349, 0.9987]\n", + " PeriodicSite: S (14.96, 5.206, 10.03) [0.7363, 0.2563, 0.4938]\n", + " PeriodicSite: S (15.51, 15.49, 20.31) [0.7634, 0.7625, 0.9998]\n", + " PeriodicSite: S (15.08, 15.08, 10.15) [0.7425, 0.7422, 0.4995]\n", + " PeriodicSite: S (8.801, 3.938, 8.514) [0.4333, 0.1939, 0.4191]\n", + " PeriodicSite: S (8.517, 4.044, 19.81) [0.4193, 0.1991, 0.9751]\n", + " PeriodicSite: S (9.326, 13.75, 8.953) [0.4591, 0.6767, 0.4408]\n", + " PeriodicSite: S (9.406, 14.33, 19.03) [0.4631, 0.7053, 0.9369]\n", + " PeriodicSite: S (18.94, 3.698, 9.165) [0.9323, 0.182, 0.4512]\n", + " PeriodicSite: S (19.09, 4.056, 19.31) [0.94, 0.1997, 0.9505]\n", + " PeriodicSite: S (18.82, 14.04, 8.823) [0.9263, 0.6914, 0.4344]\n", + " PeriodicSite: S (18.76, 14.12, 19.57) [0.9236, 0.6952, 0.9636]\n", + " PeriodicSite: S (3.606, 1.237, 1.242) [0.1775, 0.06088, 0.06115]\n", + " PeriodicSite: S (3.794, 0.9002, 11.35) [0.1868, 0.04432, 0.5589]\n", + " PeriodicSite: S (3.961, 11.56, 1.616) [0.195, 0.569, 0.07954]\n", + " PeriodicSite: S (3.785, 11.25, 11.33) [0.1863, 0.554, 0.558]\n", + " PeriodicSite: S (13.95, 1.094, 1.042) [0.687, 0.05386, 0.05129]\n", + " PeriodicSite: S (14.1, 1.346, 11.47) [0.694, 0.06624, 0.5648]\n", + " PeriodicSite: S (13.79, 11.39, 1.081) [0.6788, 0.5607, 0.05323]\n", + " PeriodicSite: S (14.35, 11.34, 11.68) [0.7064, 0.5581, 0.5749]\n", + " PeriodicSite: S (6.038, 0.9843, 8.7) [0.2973, 0.04845, 0.4283]\n", + " PeriodicSite: S (6.277, 1.295, 19.51) [0.309, 0.06374, 0.9606]\n", + " PeriodicSite: S (5.982, 11.44, 8.923) [0.2945, 0.5634, 0.4393]\n", + " PeriodicSite: S (5.898, 11.39, 19.23) [0.2904, 0.5608, 0.9469]\n", + " PeriodicSite: S (16.53, 1.625, 9.061) [0.8139, 0.08, 0.4461]\n", + " PeriodicSite: S (16.46, 1.147, 18.94) [0.8102, 0.05648, 0.9325]\n", + " PeriodicSite: S (16.3, 11.28, 8.937) [0.8026, 0.5551, 0.44]\n", + " PeriodicSite: S (16.0, 11.35, 18.84) [0.7878, 0.5587, 0.9275]\n", + " PeriodicSite: S (1.142, 4.096, 1.444) [0.0562, 0.2016, 0.07111]\n", + " PeriodicSite: S (1.443, 3.543, 10.89) [0.07106, 0.1744, 0.5362]\n", + " PeriodicSite: S (1.266, 14.04, 1.322) [0.06232, 0.6913, 0.06509]\n", + " PeriodicSite: S (0.9331, 13.75, 11.22) [0.04593, 0.677, 0.5524]\n", + " PeriodicSite: S (10.84, 3.811, 1.75) [0.5334, 0.1876, 0.08616]\n", + " PeriodicSite: S (11.0, 3.682, 10.91) [0.5418, 0.1813, 0.5372]\n", + " PeriodicSite: S (11.34, 14.55, 1.274) [0.5583, 0.7162, 0.06271]\n", + " PeriodicSite: S (11.51, 14.07, 11.51) [0.5669, 0.6928, 0.5668]\n", + " PeriodicSite: S (2.616, 2.803, 18.08) [0.1288, 0.138, 0.8901]\n", + " PeriodicSite: S (2.732, 12.69, 7.693) [0.1345, 0.6247, 0.3788]\n", + " PeriodicSite: S (12.89, 2.464, 7.783) [0.6348, 0.1213, 0.3832]\n", + " PeriodicSite: S (8.717, 9.165, 3.472) [0.4291, 0.4512, 0.171]\n", + " PeriodicSite: S (8.954, 9.199, 14.02) [0.4408, 0.4529, 0.6904]\n", + " PeriodicSite: S (8.947, 19.35, 4.026) [0.4404, 0.9527, 0.1982]\n", + " PeriodicSite: S (8.896, 19.28, 14.17) [0.438, 0.9493, 0.6974]\n", + " PeriodicSite: S (18.69, 9.0, 3.562) [0.9203, 0.4431, 0.1754]\n", + " PeriodicSite: S (19.54, 8.755, 14.1) [0.962, 0.431, 0.6943]\n", + " PeriodicSite: S (18.99, 19.44, 3.78) [0.9347, 0.9568, 0.1861]\n", + " PeriodicSite: S (19.17, 19.35, 14.48) [0.9437, 0.9528, 0.7131]\n", + " PeriodicSite: S (3.531, 6.144, 6.274) [0.1738, 0.3025, 0.3089]\n", + " PeriodicSite: S (4.247, 6.443, 16.4) [0.2091, 0.3172, 0.8075]\n", + " PeriodicSite: S (4.176, 16.36, 6.401) [0.2056, 0.8052, 0.3151]\n", + " PeriodicSite: S (3.536, 16.32, 16.03) [0.1741, 0.8036, 0.7894]\n", + " PeriodicSite: S (13.79, 6.209, 5.931) [0.6791, 0.3057, 0.292]\n", + " PeriodicSite: S (14.04, 6.853, 16.56) [0.6914, 0.3374, 0.8153]\n", + " PeriodicSite: S (13.91, 16.2, 6.141) [0.6847, 0.7976, 0.3023]\n", + " PeriodicSite: S (14.05, 16.42, 16.44) [0.6916, 0.8082, 0.8092]\n", + " PeriodicSite: S (6.489, 6.321, 4.614) [0.3194, 0.3112, 0.2271]\n", + " PeriodicSite: S (6.634, 6.034, 14.15) [0.3266, 0.2971, 0.6965]\n", + " PeriodicSite: S (6.252, 16.43, 3.862) [0.3078, 0.809, 0.1901]\n", + " PeriodicSite: S (6.196, 16.28, 13.81) [0.3051, 0.8014, 0.6801]\n", + " PeriodicSite: S (16.29, 6.4, 3.725) [0.8019, 0.3151, 0.1834]\n", + " PeriodicSite: S (16.54, 6.184, 14.31) [0.8143, 0.3044, 0.7044]\n", + " PeriodicSite: S (16.59, 16.47, 4.037) [0.8168, 0.8109, 0.1987]\n", + " PeriodicSite: S (16.24, 16.08, 14.0) [0.7993, 0.7918, 0.6893]\n", + " PeriodicSite: S (0.6252, 8.81, 6.055) [0.03078, 0.4337, 0.2981]\n", + " PeriodicSite: S (1.461, 8.9, 16.57) [0.07192, 0.4381, 0.8157]\n", + " PeriodicSite: S (0.869, 18.73, 6.35) [0.04278, 0.9219, 0.3126]\n", + " PeriodicSite: S (1.358, 19.68, 16.64) [0.06686, 0.9687, 0.8192]\n", + " PeriodicSite: S (11.16, 8.714, 5.791) [0.5493, 0.429, 0.2851]\n", + " PeriodicSite: S (11.65, 8.916, 15.97) [0.5737, 0.439, 0.7862]\n", + " PeriodicSite: S (11.52, 19.02, 5.955) [0.5672, 0.9362, 0.2932]\n", + " PeriodicSite: S (11.2, 19.61, 16.69) [0.5514, 0.9656, 0.8218]\n", + " PeriodicSite: S (2.497, 17.78, 2.529) [0.1229, 0.8752, 0.1245]\n", + " PeriodicSite: S (2.253, 17.5, 12.66) [0.1109, 0.8618, 0.6235]\n", + " PeriodicSite: S (13.14, 7.636, 12.56) [0.6469, 0.3759, 0.6182]\n", + " PeriodicSite: S (12.85, 17.6, 2.449) [0.6329, 0.8664, 0.1206]\n", + " PeriodicSite: S (4.043, 4.142, 3.721) [0.199, 0.2039, 0.1832]\n", + " PeriodicSite: S (3.799, 3.858, 14.43) [0.1871, 0.1899, 0.7105]\n", + " PeriodicSite: S (3.861, 14.06, 3.95) [0.1901, 0.6921, 0.1945]\n", + " PeriodicSite: S (3.738, 13.84, 13.94) [0.184, 0.6812, 0.6864]\n", + " PeriodicSite: S (14.17, 3.827, 3.645) [0.6975, 0.1884, 0.1794]\n", + " PeriodicSite: S (13.88, 4.094, 14.53) [0.6834, 0.2015, 0.7152]\n", + " PeriodicSite: S (14.13, 14.04, 3.642) [0.6955, 0.6912, 0.1793]\n", + " PeriodicSite: S (13.98, 13.78, 14.43) [0.6882, 0.6786, 0.7102]\n", + " PeriodicSite: S (9.268, 1.376, 6.336) [0.4563, 0.06771, 0.3119]\n", + " PeriodicSite: S (8.543, 0.914, 16.8) [0.4206, 0.045, 0.827]\n", + " PeriodicSite: S (9.148, 11.27, 6.259) [0.4504, 0.5547, 0.3082]\n", + " PeriodicSite: S (9.471, 11.62, 16.15) [0.4663, 0.5719, 0.795]\n", + " PeriodicSite: S (19.17, 1.225, 6.414) [0.9437, 0.06031, 0.3158]\n", + " PeriodicSite: S (19.28, 1.666, 16.45) [0.9493, 0.08199, 0.8096]\n", + " PeriodicSite: S (18.93, 11.66, 5.781) [0.9321, 0.5738, 0.2846]\n", + " PeriodicSite: S (19.1, 10.99, 16.59) [0.9402, 0.5412, 0.8169]\n", + " PeriodicSite: S (1.336, 1.021, 4.021) [0.06576, 0.05027, 0.198]\n", + " PeriodicSite: S (1.285, 1.357, 14.03) [0.06325, 0.06679, 0.6908]\n", + " PeriodicSite: S (1.228, 11.05, 3.927) [0.06045, 0.5441, 0.1934]\n", + " PeriodicSite: S (0.9614, 11.52, 14.26) [0.04733, 0.5674, 0.7018]\n", + " PeriodicSite: S (11.25, 1.169, 3.749) [0.5539, 0.05753, 0.1846]\n", + " PeriodicSite: S (10.6, 1.792, 14.32) [0.5217, 0.0882, 0.7051]\n", + " PeriodicSite: S (11.13, 11.34, 3.57) [0.5481, 0.5581, 0.1758]\n", + " PeriodicSite: S (11.26, 11.36, 13.43) [0.5543, 0.5593, 0.661]\n", + " PeriodicSite: S (5.998, 4.022, 6.591) [0.2953, 0.198, 0.3245]\n", + " PeriodicSite: S (6.457, 3.676, 16.5) [0.3179, 0.1809, 0.8122]\n", + " PeriodicSite: S (6.357, 13.93, 6.273) [0.3129, 0.6856, 0.3088]\n", + " PeriodicSite: S (5.975, 14.02, 16.15) [0.2941, 0.6902, 0.795]\n", + " PeriodicSite: S (16.44, 3.988, 6.03) [0.8095, 0.1963, 0.2969]\n", + " PeriodicSite: S (16.56, 4.303, 16.7) [0.8154, 0.2118, 0.822]\n", + " PeriodicSite: S (16.13, 14.03, 6.327) [0.7939, 0.6907, 0.3115]\n", + " PeriodicSite: S (16.59, 13.94, 16.52) [0.8166, 0.686, 0.8134]\n", + " PeriodicSite: S (7.075, 2.537, 12.4) [0.3483, 0.1249, 0.6104]\n", + " PeriodicSite: S (7.537, 12.81, 2.727) [0.371, 0.6305, 0.1343]\n", + " PeriodicSite: S (17.69, 2.705, 2.569) [0.871, 0.1332, 0.1265]\n", + " PeriodicSite: S (17.45, 12.52, 2.418) [0.8591, 0.6165, 0.119]\n", + " PeriodicSite: S (17.93, 12.62, 12.56) [0.8827, 0.6213, 0.6184]\n", + " PeriodicSite: S (3.866, 8.998, 8.954) [0.1903, 0.443, 0.4408]\n", + " PeriodicSite: S (3.597, 9.072, 19.76) [0.1771, 0.4466, 0.9728]\n", + " PeriodicSite: S (3.721, 18.91, 8.964) [0.1832, 0.9312, 0.4413]\n", + " PeriodicSite: S (4.102, 19.06, 19.07) [0.2019, 0.9384, 0.9387]\n", + " PeriodicSite: S (13.87, 9.28, 9.161) [0.6826, 0.4568, 0.451]\n", + " PeriodicSite: S (13.22, 9.304, 18.98) [0.6509, 0.458, 0.9343]\n", + " PeriodicSite: S (14.31, 19.35, 8.989) [0.7046, 0.9527, 0.4425]\n", + " PeriodicSite: S (14.11, 19.08, 19.04) [0.6945, 0.9391, 0.9371]\n", + " PeriodicSite: S (8.79, 6.438, 1.602) [0.4328, 0.3169, 0.07887]\n", + " PeriodicSite: S (8.737, 6.076, 11.18) [0.4302, 0.2991, 0.5504]\n", + " PeriodicSite: S (8.626, 16.75, 0.8836) [0.4247, 0.8247, 0.04351]\n", + " PeriodicSite: S (9.106, 16.09, 11.33) [0.4483, 0.7919, 0.5579]\n", + " PeriodicSite: S (19.18, 6.442, 1.376) [0.9443, 0.3171, 0.06775]\n", + " PeriodicSite: S (19.62, 6.21, 11.28) [0.966, 0.3057, 0.5555]\n", + " PeriodicSite: S (19.26, 16.57, 1.3) [0.948, 0.816, 0.06401]\n", + " PeriodicSite: S (19.05, 16.42, 11.2) [0.938, 0.8084, 0.5516]\n", + " PeriodicSite: S (1.157, 5.859, 8.557) [0.05696, 0.2885, 0.4213]\n", + " PeriodicSite: S (0.9708, 6.546, 19.35) [0.0478, 0.3222, 0.9525]\n", + " PeriodicSite: S (1.045, 16.03, 8.817) [0.05145, 0.7889, 0.4341]\n", + " PeriodicSite: S (1.006, 16.2, 19.04) [0.04952, 0.7977, 0.9375]\n", + " PeriodicSite: S (11.13, 6.354, 8.826) [0.548, 0.3128, 0.4345]\n", + " PeriodicSite: S (11.13, 6.046, 19.64) [0.5481, 0.2976, 0.9667]\n", + " PeriodicSite: S (11.62, 16.32, 8.806) [0.5721, 0.8037, 0.4335]\n", + " PeriodicSite: S (11.27, 17.07, 19.4) [0.5547, 0.8405, 0.9552]\n", + " PeriodicSite: S (6.51, 9.172, 1.38) [0.3205, 0.4515, 0.06797]\n", + " PeriodicSite: S (6.43, 9.073, 11.29) [0.3166, 0.4467, 0.556]\n", + " PeriodicSite: S (6.049, 19.38, 1.512) [0.2978, 0.9539, 0.07446]\n", + " PeriodicSite: S (6.255, 18.98, 11.14) [0.3079, 0.9343, 0.5483]\n", + " PeriodicSite: S (15.96, 8.843, 0.5469) [0.7856, 0.4353, 0.02693]\n", + " PeriodicSite: S (16.75, 8.835, 11.23) [0.8245, 0.435, 0.5528]\n", + " PeriodicSite: S (16.39, 19.24, 1.201) [0.8069, 0.9472, 0.05915]\n", + " PeriodicSite: S (16.78, 19.52, 11.33) [0.8263, 0.9608, 0.5578]\n", + " PeriodicSite: S (7.995, 7.753, 17.86) [0.3936, 0.3817, 0.8791]\n", + " PeriodicSite: S (7.715, 17.65, 7.527) [0.3798, 0.869, 0.3706]\n", + " PeriodicSite: S (17.67, 7.882, 7.42) [0.8698, 0.388, 0.3653]\n", + " PeriodicSite: S (17.45, 18.01, 7.498) [0.8591, 0.8866, 0.3691]\n", + " PeriodicSite: P (4.97, 0.03392, 0.2001) [0.2447, 0.001668, 0.009853]\n", + " PeriodicSite: P (5.024, 20.16, 9.987) [0.2473, 0.9927, 0.4917]\n", + " PeriodicSite: P (4.96, 10.24, 0.346) [0.2442, 0.5043, 0.01704]\n", + " PeriodicSite: P (5.06, 10.1, 10.21) [0.2491, 0.4974, 0.5027]\n", + " PeriodicSite: P (15.28, 0.01186, 20.16) [0.7523, 0.0005784, 0.9925]\n", + " PeriodicSite: P (15.48, 0.2964, 10.21) [0.7621, 0.01458, 0.5027]\n", + " PeriodicSite: P (14.75, 10.26, 20.05) [0.7261, 0.5052, 0.987]\n", + " PeriodicSite: P (15.37, 10.04, 10.34) [0.7568, 0.4945, 0.5091]\n", + " PeriodicSite: P (4.874, 5.039, 5.302) [0.2399, 0.2481, 0.261]\n", + " PeriodicSite: P (5.283, 4.962, 15.4) [0.2601, 0.2443, 0.7584]\n", + " PeriodicSite: P (5.202, 15.15, 5.058) [0.2561, 0.7457, 0.249]\n", + " PeriodicSite: P (4.909, 15.15, 14.97) [0.2417, 0.7461, 0.7369]\n", + " PeriodicSite: P (15.23, 5.074, 4.831) [0.7497, 0.2498, 0.2378]\n", + " PeriodicSite: P (15.21, 5.409, 15.56) [0.7486, 0.2663, 0.7662]\n", + " PeriodicSite: P (15.29, 15.19, 4.992) [0.7526, 0.7479, 0.2458]\n", + " PeriodicSite: P (15.31, 14.99, 15.37) [0.7539, 0.7381, 0.7569]\n", + " PeriodicSite: P (20.21, 20.23, 5.228) [0.9949, 0.9959, 0.2574]\n", + " PeriodicSite: P (0.1215, 0.3761, 15.38) [0.005988, 0.01852, 0.757]\n", + " PeriodicSite: P (20.01, 10.07, 4.823) [0.9852, 0.4956, 0.2375]\n", + " PeriodicSite: P (0.1671, 10.05, 15.47) [0.008224, 0.4946, 0.7617]\n", + " PeriodicSite: P (10.25, 0.07404, 5.15) [0.5044, 0.003641, 0.2536]\n", + " PeriodicSite: P (9.819, 0.2608, 15.32) [0.4834, 0.01284, 0.7543]\n", + " PeriodicSite: P (10.06, 10.14, 4.78) [0.4955, 0.4991, 0.2353]\n", + " PeriodicSite: P (10.41, 10.07, 14.89) [0.5126, 0.4957, 0.7331]\n", + " PeriodicSite: P (20.2, 5.23, 0.1342) [0.9947, 0.2575, 0.006612]\n", + " PeriodicSite: P (0.07343, 4.834, 10.05) [0.003616, 0.238, 0.4947]\n", + " PeriodicSite: P (20.31, 15.14, 0.1658) [0.9997, 0.7453, 0.008168]\n", + " PeriodicSite: P (20.06, 15.02, 10.15) [0.9878, 0.7393, 0.4998]\n", + " PeriodicSite: P (9.839, 5.113, 0.5775) [0.4844, 0.2517, 0.02843]\n", + " PeriodicSite: P (9.938, 5.029, 9.787) [0.4893, 0.2476, 0.4818]\n", + " PeriodicSite: P (10.07, 15.65, 0.0009204) [0.4956, 0.7705, 4.932e-05]\n", + " PeriodicSite: P (10.51, 15.04, 10.01) [0.5174, 0.7402, 0.4926],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.527, 5.733, 3.897) [0.1244, 0.2822, 0.1919]\n", + " PeriodicSite: Li (1.769, 3.281, 15.61) [0.08708, 0.1615, 0.7686]\n", + " PeriodicSite: Li (0.1101, 12.41, 8.238) [0.005415, 0.6108, 0.4056]\n", + " PeriodicSite: Li (1.371, 14.69, 17.08) [0.06747, 0.7233, 0.8407]\n", + " PeriodicSite: Li (14.28, 0.5812, 7.449) [0.7028, 0.02861, 0.3667]\n", + " PeriodicSite: Li (11.73, 3.359, 15.8) [0.5773, 0.1653, 0.7778]\n", + " PeriodicSite: Li (16.41, 11.94, 4.557) [0.8077, 0.5879, 0.2244]\n", + " PeriodicSite: Li (17.45, 8.479, 15.23) [0.859, 0.4174, 0.7498]\n", + " PeriodicSite: Li (3.71, 4.871, 7.948) [0.1827, 0.2398, 0.3913]\n", + " PeriodicSite: Li (2.282, 0.555, 19.26) [0.1124, 0.02733, 0.9481]\n", + " PeriodicSite: Li (5.133, 8.205, 7.325) [0.2527, 0.4039, 0.3606]\n", + " PeriodicSite: Li (7.651, 9.888, 15.75) [0.3766, 0.4868, 0.7755]\n", + " PeriodicSite: Li (12.21, 4.857, 7.101) [0.601, 0.2391, 0.3496]\n", + " PeriodicSite: Li (13.41, 3.524, 1.219) [0.6601, 0.1735, 0.06001]\n", + " PeriodicSite: Li (12.32, 9.562, 11.38) [0.6063, 0.4707, 0.5604]\n", + " PeriodicSite: Li (10.31, 18.47, 18.13) [0.5073, 0.9093, 0.8928]\n", + " PeriodicSite: Li (4.827, 1.663, 7.192) [0.2376, 0.08186, 0.3541]\n", + " PeriodicSite: Li (3.444, 0.8869, 16.31) [0.1696, 0.04366, 0.8029]\n", + " PeriodicSite: Li (4.59, 11.34, 7.598) [0.2259, 0.5581, 0.374]\n", + " PeriodicSite: Li (5.62, 12.23, 14.52) [0.2767, 0.6022, 0.7147]\n", + " PeriodicSite: Li (12.36, 0.3918, 9.425) [0.6084, 0.01928, 0.464]\n", + " PeriodicSite: Li (11.0, 1.378, 18.12) [0.5413, 0.06784, 0.8921]\n", + " PeriodicSite: Li (14.81, 14.51, 8.192) [0.7292, 0.7144, 0.4033]\n", + " PeriodicSite: Li (11.28, 10.8, 17.94) [0.5555, 0.5315, 0.8831]\n", + " PeriodicSite: Li (0.2346, 3.127, 6.61) [0.01155, 0.1539, 0.3254]\n", + " PeriodicSite: Li (0.02634, 2.544, 18.16) [0.001301, 0.1252, 0.8939]\n", + " PeriodicSite: Li (1.866, 14.5, 6.515) [0.09187, 0.7137, 0.3207]\n", + " PeriodicSite: Li (3.572, 13.46, 0.3879) [0.1759, 0.6625, 0.0191]\n", + " PeriodicSite: Li (13.29, 2.088, 5.408) [0.6541, 0.1028, 0.2662]\n", + " PeriodicSite: Li (13.96, 20.19, 17.37) [0.6872, 0.9942, 0.8553]\n", + " PeriodicSite: Li (10.38, 12.58, 7.681) [0.5112, 0.6191, 0.3781]\n", + " PeriodicSite: Li (15.43, 16.65, 18.02) [0.7595, 0.8199, 0.8874]\n", + " PeriodicSite: Li (7.468, 0.4915, 4.536) [0.3677, 0.02419, 0.2233]\n", + " PeriodicSite: Li (2.059, 20.31, 2.244) [0.1013, 0.9997, 0.1105]\n", + " PeriodicSite: Li (2.469, 14.51, 9.349) [0.1215, 0.7143, 0.4602]\n", + " PeriodicSite: Li (1.566, 17.27, 15.02) [0.0771, 0.8501, 0.7394]\n", + " PeriodicSite: Li (15.2, 3.818, 8.254) [0.7481, 0.1879, 0.4064]\n", + " PeriodicSite: Li (14.84, 3.084, 18.78) [0.7308, 0.1518, 0.9248]\n", + " PeriodicSite: Li (17.99, 15.52, 6.334) [0.8858, 0.7642, 0.3118]\n", + " PeriodicSite: Li (11.94, 12.33, 0.1177) [0.5878, 0.607, 0.005797]\n", + " PeriodicSite: Li (5.327, 1.338, 3.123) [0.2623, 0.06589, 0.1538]\n", + " PeriodicSite: Li (4.99, 3.449, 18.17) [0.2457, 0.1698, 0.8944]\n", + " PeriodicSite: Li (2.844, 11.84, 5.403) [0.14, 0.5829, 0.266]\n", + " PeriodicSite: Li (19.41, 13.05, 3.264) [0.9557, 0.6422, 0.1607]\n", + " PeriodicSite: Li (10.2, 2.205, 7.883) [0.5024, 0.1085, 0.3881]\n", + " PeriodicSite: Li (17.31, 19.69, 16.29) [0.8522, 0.9694, 0.8018]\n", + " PeriodicSite: Li (13.71, 11.23, 3.938) [0.6751, 0.553, 0.1939]\n", + " PeriodicSite: Li (14.77, 8.911, 17.02) [0.7272, 0.4387, 0.838]\n", + " PeriodicSite: Li (3.91, 10.48, 17.53) [0.1925, 0.5159, 0.8628]\n", + " PeriodicSite: Li (2.25, 11.07, 9.786) [0.1108, 0.5449, 0.4818]\n", + " PeriodicSite: Li (1.735, 17.74, 0.5791) [0.08541, 0.8736, 0.02851]\n", + " PeriodicSite: Li (1.817, 1.357, 9.553) [0.08946, 0.06682, 0.4703]\n", + " PeriodicSite: Li (12.23, 5.167, 3.61) [0.6023, 0.2544, 0.1777]\n", + " PeriodicSite: Li (13.05, 9.757, 14.49) [0.6425, 0.4803, 0.7134]\n", + " PeriodicSite: Li (11.56, 15.22, 7.171) [0.5693, 0.7495, 0.353]\n", + " PeriodicSite: Li (13.34, 0.9468, 13.89) [0.6569, 0.04661, 0.6838]\n", + " PeriodicSite: Li (3.75, 6.983, 0.9355) [0.1846, 0.3438, 0.04606]\n", + " PeriodicSite: Li (3.242, 4.798, 11.73) [0.1596, 0.2362, 0.5776]\n", + " PeriodicSite: Li (7.196, 15.66, 19.07) [0.3543, 0.7709, 0.9386]\n", + " PeriodicSite: Li (5.359, 17.93, 16.17) [0.2638, 0.8825, 0.7961]\n", + " PeriodicSite: Li (14.57, 6.536, 1.844) [0.7172, 0.3218, 0.09079]\n", + " PeriodicSite: Li (10.4, 7.886, 11.93) [0.5121, 0.3882, 0.5876]\n", + " PeriodicSite: Li (13.66, 18.73, 4.674) [0.6725, 0.9223, 0.2301]\n", + " PeriodicSite: Li (11.09, 16.77, 13.45) [0.5458, 0.8258, 0.6622]\n", + " PeriodicSite: Li (1.393, 8.721, 0.5175) [0.06855, 0.4294, 0.02548]\n", + " PeriodicSite: Li (4.942, 7.31, 10.94) [0.2433, 0.3599, 0.5386]\n", + " PeriodicSite: Li (4.698, 16.89, 0.6358) [0.2313, 0.8314, 0.0313]\n", + " PeriodicSite: Li (2.561, 17.37, 10.54) [0.1261, 0.8551, 0.519]\n", + " PeriodicSite: Li (12.08, 8.89, 0.5661) [0.5946, 0.4376, 0.02787]\n", + " PeriodicSite: Li (12.22, 6.8, 14.61) [0.6018, 0.3347, 0.7193]\n", + " PeriodicSite: Li (12.39, 15.89, 3.577) [0.6099, 0.782, 0.1761]\n", + " PeriodicSite: Li (14.0, 15.45, 12.53) [0.6892, 0.7607, 0.6167]\n", + " PeriodicSite: Li (0.1145, 7.175, 3.873) [0.005634, 0.3532, 0.1907]\n", + " PeriodicSite: Li (17.49, 5.878, 9.464) [0.8611, 0.2894, 0.4659]\n", + " PeriodicSite: Li (2.0, 17.27, 4.923) [0.09848, 0.8504, 0.2424]\n", + " PeriodicSite: Li (0.2154, 18.28, 12.12) [0.0106, 0.9001, 0.5966]\n", + " PeriodicSite: Li (9.856, 7.29, 3.349) [0.4852, 0.3589, 0.1649]\n", + " PeriodicSite: Li (14.91, 8.524, 13.07) [0.7339, 0.4196, 0.6436]\n", + " PeriodicSite: Li (13.16, 15.88, 0.6187) [0.6478, 0.782, 0.03046]\n", + " PeriodicSite: Li (12.07, 15.19, 17.38) [0.5944, 0.7478, 0.8555]\n", + " PeriodicSite: Li (5.889, 8.638, 3.716) [0.2899, 0.4253, 0.1829]\n", + " PeriodicSite: Li (19.81, 11.92, 11.41) [0.9752, 0.5869, 0.5617]\n", + " PeriodicSite: Li (20.19, 16.79, 3.212) [0.9939, 0.8267, 0.1581]\n", + " PeriodicSite: Li (3.17, 19.41, 13.65) [0.1561, 0.9554, 0.672]\n", + " PeriodicSite: Li (16.96, 10.25, 2.632) [0.835, 0.5044, 0.1296]\n", + " PeriodicSite: Li (12.83, 6.19, 10.65) [0.6317, 0.3047, 0.5245]\n", + " PeriodicSite: Li (12.18, 18.79, 0.4276) [0.5998, 0.9251, 0.02106]\n", + " PeriodicSite: Li (13.69, 16.9, 10.07) [0.674, 0.8321, 0.4956]\n", + " PeriodicSite: Li (3.277, 3.331, 20.22) [0.1613, 0.164, 0.9953]\n", + " PeriodicSite: Li (5.428, 8.449, 13.62) [0.2672, 0.416, 0.6707]\n", + " PeriodicSite: Li (4.831, 18.52, 3.444) [0.2378, 0.9117, 0.1696]\n", + " PeriodicSite: Li (1.127, 15.28, 13.3) [0.05549, 0.7524, 0.6546]\n", + " PeriodicSite: Li (13.24, 8.285, 4.931) [0.6519, 0.4079, 0.2428]\n", + " PeriodicSite: Li (14.99, 5.585, 12.38) [0.7378, 0.2749, 0.6094]\n", + " PeriodicSite: Li (15.03, 17.08, 2.017) [0.7401, 0.8411, 0.0993]\n", + " PeriodicSite: Li (17.82, 4.432, 14.58) [0.8774, 0.2182, 0.718]\n", + " PeriodicSite: Li (9.445, 2.828, 4.554) [0.465, 0.1392, 0.2242]\n", + " PeriodicSite: Li (9.433, 3.523, 12.49) [0.4644, 0.1734, 0.6151]\n", + " PeriodicSite: Li (6.806, 11.6, 4.347) [0.3351, 0.5713, 0.214]\n", + " PeriodicSite: Li (2.988, 10.48, 14.06) [0.1471, 0.5159, 0.6921]\n", + " PeriodicSite: Li (16.98, 1.697, 4.63) [0.8358, 0.08352, 0.2279]\n", + " PeriodicSite: Li (13.56, 3.141, 10.07) [0.6675, 0.1546, 0.4959]\n", + " PeriodicSite: Li (19.04, 11.85, 0.7182) [0.9374, 0.5833, 0.03536]\n", + " PeriodicSite: Li (17.42, 10.49, 12.95) [0.8577, 0.5163, 0.6374]\n", + " PeriodicSite: Li (5.664, 17.97, 6.071) [0.2788, 0.8848, 0.2989]\n", + " PeriodicSite: Li (7.582, 2.482, 14.71) [0.3733, 0.1222, 0.724]\n", + " PeriodicSite: Li (7.35, 13.0, 0.1274) [0.3619, 0.6398, 0.006277]\n", + " PeriodicSite: Li (8.573, 14.74, 13.19) [0.4221, 0.7255, 0.6492]\n", + " PeriodicSite: Li (13.1, 0.04174, 2.949) [0.6449, 0.002049, 0.1452]\n", + " PeriodicSite: Li (19.36, 2.249, 11.13) [0.953, 0.1107, 0.5481]\n", + " PeriodicSite: Li (17.23, 15.03, 1.936) [0.8482, 0.7399, 0.09532]\n", + " PeriodicSite: Li (17.27, 15.29, 12.4) [0.8501, 0.7528, 0.6104]\n", + " PeriodicSite: Li (8.361, 5.749, 6.432) [0.4116, 0.283, 0.3167]\n", + " PeriodicSite: Li (6.752, 18.9, 13.94) [0.3324, 0.9304, 0.6865]\n", + " PeriodicSite: Li (10.02, 13.42, 3.358) [0.4933, 0.6607, 0.1653]\n", + " PeriodicSite: Li (4.914, 13.37, 11.77) [0.2419, 0.6581, 0.5794]\n", + " PeriodicSite: Li (20.07, 3.072, 3.196) [0.988, 0.1512, 0.1573]\n", + " PeriodicSite: Li (0.438, 6.537, 12.89) [0.02156, 0.3218, 0.6344]\n", + " PeriodicSite: Li (15.57, 12.92, 0.8997) [0.7663, 0.6359, 0.0443]\n", + " PeriodicSite: Li (15.39, 12.01, 13.64) [0.7575, 0.5912, 0.6713]\n", + " PeriodicSite: Li (2.856, 0.172, 5.704) [0.1406, 0.008468, 0.2808]\n", + " PeriodicSite: Li (5.281, 1.658, 13.48) [0.26, 0.08164, 0.6634]\n", + " PeriodicSite: Li (5.404, 12.84, 2.487) [0.2661, 0.6321, 0.1224]\n", + " PeriodicSite: Li (8.449, 6.883, 15.48) [0.4159, 0.3389, 0.7619]\n", + " PeriodicSite: Li (17.4, 4.498, 2.558) [0.8569, 0.2214, 0.1259]\n", + " PeriodicSite: Li (16.54, 0.315, 13.67) [0.8144, 0.0155, 0.6729]\n", + " PeriodicSite: Li (14.61, 14.09, 18.68) [0.7191, 0.6935, 0.9199]\n", + " PeriodicSite: Li (17.05, 13.17, 10.48) [0.8392, 0.6485, 0.516]\n", + " PeriodicSite: Li (6.775, 3.366, 0.1161) [0.3335, 0.1657, 0.005719]\n", + " PeriodicSite: Li (5.253, 2.727, 10.76) [0.2586, 0.1342, 0.5296]\n", + " PeriodicSite: Li (8.802, 10.95, 1.853) [0.4333, 0.539, 0.09124]\n", + " PeriodicSite: Li (8.52, 10.49, 11.89) [0.4194, 0.5166, 0.5853]\n", + " PeriodicSite: Li (15.52, 1.188, 2.607) [0.7642, 0.05847, 0.1283]\n", + " PeriodicSite: Li (16.76, 3.283, 10.64) [0.8251, 0.1616, 0.524]\n", + " PeriodicSite: Li (0.2677, 11.17, 18.02) [0.01318, 0.5499, 0.8874]\n", + " PeriodicSite: Li (19.4, 12.85, 14.03) [0.9551, 0.6324, 0.6906]\n", + " PeriodicSite: Li (9.251, 0.5765, 1.528) [0.4554, 0.02838, 0.07521]\n", + " PeriodicSite: Li (7.722, 0.7927, 11.06) [0.3802, 0.03902, 0.5443]\n", + " PeriodicSite: Li (8.003, 14.02, 4.991) [0.394, 0.6904, 0.2457]\n", + " PeriodicSite: Li (3.913, 15.99, 12.71) [0.1926, 0.7872, 0.6258]\n", + " PeriodicSite: Li (17.37, 3.285, 0.1437) [0.855, 0.1617, 0.007081]\n", + " PeriodicSite: Li (1.909, 7.271, 15.0) [0.09399, 0.358, 0.7386]\n", + " PeriodicSite: Li (4.561, 14.24, 8.092) [0.2245, 0.701, 0.3984]\n", + " PeriodicSite: Li (13.92, 13.32, 10.35) [0.6852, 0.6559, 0.5093]\n", + " PeriodicSite: Li (14.13, 10.97, 7.4) [0.6958, 0.5401, 0.3643]\n", + " PeriodicSite: Li (5.769, 7.948, 16.73) [0.284, 0.3913, 0.8237]\n", + " PeriodicSite: Li (6.982, 14.84, 10.84) [0.3437, 0.7305, 0.5335]\n", + " PeriodicSite: Li (4.04, 14.67, 18.14) [0.1989, 0.722, 0.8933]\n", + " PeriodicSite: Li (16.81, 9.957, 6.663) [0.8278, 0.4902, 0.328]\n", + " PeriodicSite: Li (2.509, 5.002, 18.13) [0.1235, 0.2462, 0.8926]\n", + " PeriodicSite: Li (17.04, 18.55, 5.306) [0.8387, 0.9132, 0.2612]\n", + " PeriodicSite: Li (20.14, 18.3, 18.28) [0.9913, 0.901, 0.9002]\n", + " PeriodicSite: Li (7.147, 9.826, 6.817) [0.3518, 0.4838, 0.3356]\n", + " PeriodicSite: Li (9.155, 5.537, 17.28) [0.4507, 0.2726, 0.8509]\n", + " PeriodicSite: Li (7.199, 20.03, 7.232) [0.3544, 0.9861, 0.3561]\n", + " PeriodicSite: Li (7.859, 16.3, 15.68) [0.3869, 0.8025, 0.772]\n", + " PeriodicSite: Li (17.81, 9.187, 9.236) [0.8769, 0.4523, 0.4547]\n", + " PeriodicSite: Li (16.75, 5.713, 18.92) [0.8246, 0.2813, 0.9315]\n", + " PeriodicSite: Li (17.94, 20.08, 8.0) [0.8833, 0.9888, 0.3939]\n", + " PeriodicSite: Li (18.6, 15.38, 17.14) [0.9156, 0.757, 0.844]\n", + " PeriodicSite: Li (6.884, 5.217, 9.222) [0.3389, 0.2568, 0.454]\n", + " PeriodicSite: Li (6.964, 5.838, 19.1) [0.3428, 0.2874, 0.9403]\n", + " PeriodicSite: Li (9.157, 18.48, 9.409) [0.4508, 0.9098, 0.4632]\n", + " PeriodicSite: Li (11.32, 12.88, 15.13) [0.5574, 0.6341, 0.7449]\n", + " PeriodicSite: Li (19.92, 7.629, 8.042) [0.9805, 0.3756, 0.3959]\n", + " PeriodicSite: Li (19.98, 6.667, 17.17) [0.9835, 0.3282, 0.8453]\n", + " PeriodicSite: Li (17.35, 16.42, 9.454) [0.8543, 0.8084, 0.4654]\n", + " PeriodicSite: Li (17.14, 17.3, 20.29) [0.844, 0.8517, 0.999]\n", + " PeriodicSite: Li (8.273, 8.206, 10.01) [0.4073, 0.404, 0.4927]\n", + " PeriodicSite: Li (5.977, 5.23, 2.341) [0.2942, 0.2575, 0.1152]\n", + " PeriodicSite: Li (5.896, 17.35, 9.169) [0.2902, 0.8543, 0.4514]\n", + " PeriodicSite: Li (7.149, 15.08, 1.834) [0.352, 0.7424, 0.09028]\n", + " PeriodicSite: Li (15.06, 6.671, 8.107) [0.7413, 0.3284, 0.3991]\n", + " PeriodicSite: Li (18.31, 8.083, 20.28) [0.9016, 0.3979, 0.9984]\n", + " PeriodicSite: Li (15.58, 17.97, 7.766) [0.7669, 0.8849, 0.3823]\n", + " PeriodicSite: Li (14.13, 18.47, 14.66) [0.6956, 0.9091, 0.7216]\n", + " PeriodicSite: Li (6.259, 4.668, 11.94) [0.3081, 0.2298, 0.5878]\n", + " PeriodicSite: Li (6.804, 9.054, 19.15) [0.335, 0.4458, 0.9427]\n", + " PeriodicSite: Li (9.196, 17.85, 5.945) [0.4527, 0.8789, 0.2927]\n", + " PeriodicSite: Li (10.52, 17.57, 2.968) [0.518, 0.8651, 0.1461]\n", + " PeriodicSite: Li (16.8, 8.066, 5.317) [0.8269, 0.3971, 0.2618]\n", + " PeriodicSite: Li (13.43, 5.988, 19.18) [0.6611, 0.2948, 0.9442]\n", + " PeriodicSite: Li (20.14, 18.2, 8.353) [0.9915, 0.8961, 0.4112]\n", + " PeriodicSite: Li (18.65, 20.28, 1.73) [0.9181, 0.9983, 0.0852]\n", + " PeriodicSite: Li (3.08, 8.988, 4.815) [0.1516, 0.4425, 0.2371]\n", + " PeriodicSite: Li (9.28, 8.065, 20.09) [0.4569, 0.3971, 0.9891]\n", + " PeriodicSite: Li (8.129, 15.47, 7.508) [0.4002, 0.7617, 0.3696]\n", + " PeriodicSite: Li (7.086, 20.06, 17.01) [0.3489, 0.9873, 0.8377]\n", + " PeriodicSite: Li (18.48, 5.424, 6.487) [0.9099, 0.267, 0.3194]\n", + " PeriodicSite: Li (16.24, 11.82, 16.57) [0.7997, 0.5818, 0.816]\n", + " PeriodicSite: Li (2.106, 15.14, 2.901) [0.1037, 0.7453, 0.1428]\n", + " PeriodicSite: Li (14.86, 2.482, 15.69) [0.7318, 0.1222, 0.7725]\n", + " PeriodicSite: Cl (6.989, 13.27, 12.93) [0.3441, 0.6532, 0.6365]\n", + " PeriodicSite: Cl (2.058, 12.74, 17.84) [0.1013, 0.6274, 0.8783]\n", + " PeriodicSite: Cl (13.21, 17.77, 12.31) [0.6505, 0.875, 0.6062]\n", + " PeriodicSite: Cl (17.97, 7.609, 17.9) [0.8848, 0.3746, 0.8811]\n", + " PeriodicSite: Cl (7.761, 2.206, 3.021) [0.3821, 0.1086, 0.1487]\n", + " PeriodicSite: Cl (7.502, 7.742, 7.788) [0.3693, 0.3811, 0.3834]\n", + " PeriodicSite: Cl (12.76, 13.2, 7.731) [0.6283, 0.6496, 0.3806]\n", + " PeriodicSite: Cl (2.186, 7.642, 2.734) [0.1076, 0.3762, 0.1346]\n", + " PeriodicSite: Cl (3.036, 7.127, 12.7) [0.1495, 0.3509, 0.6252]\n", + " PeriodicSite: Cl (12.34, 12.89, 18.34) [0.6077, 0.6345, 0.9029]\n", + " PeriodicSite: Cl (17.84, 17.74, 17.81) [0.8781, 0.8733, 0.8766]\n", + " PeriodicSite: Cl (2.388, 2.485, 7.593) [0.1176, 0.1224, 0.3738]\n", + " PeriodicSite: Cl (12.7, 3.111, 17.75) [0.6252, 0.1531, 0.874]\n", + " PeriodicSite: Cl (12.48, 7.212, 2.417) [0.6143, 0.3551, 0.119]\n", + " PeriodicSite: Cl (17.61, 2.689, 12.71) [0.8667, 0.1324, 0.6259]\n", + " PeriodicSite: Cl (7.308, 17.93, 17.47) [0.3598, 0.8826, 0.8603]\n", + " PeriodicSite: Cl (0.332, 19.79, 0.08223) [0.01634, 0.9745, 0.00405]\n", + " PeriodicSite: Cl (0.06691, 20.09, 9.61) [0.003288, 0.9892, 0.4731]\n", + " PeriodicSite: Cl (19.99, 9.86, 19.81) [0.984, 0.4854, 0.9754]\n", + " PeriodicSite: Cl (0.1031, 10.52, 9.637) [0.005073, 0.5182, 0.4744]\n", + " PeriodicSite: Cl (10.28, 20.09, 19.9) [0.5062, 0.9892, 0.9799]\n", + " PeriodicSite: Cl (10.03, 0.5231, 9.463) [0.4936, 0.02575, 0.4659]\n", + " PeriodicSite: Cl (10.19, 10.61, 20.12) [0.5019, 0.5224, 0.9903]\n", + " PeriodicSite: Cl (10.2, 9.681, 10.2) [0.5022, 0.4766, 0.5019]\n", + " PeriodicSite: Cl (20.16, 4.912, 4.886) [0.9925, 0.2418, 0.2406]\n", + " PeriodicSite: Cl (0.3228, 5.687, 15.11) [0.01589, 0.28, 0.7439]\n", + " PeriodicSite: Cl (0.301, 15.49, 5.158) [0.01481, 0.7626, 0.2539]\n", + " PeriodicSite: Cl (20.14, 15.23, 15.13) [0.9914, 0.75, 0.7447]\n", + " PeriodicSite: Cl (10.33, 5.369, 4.736) [0.5086, 0.2643, 0.2332]\n", + " PeriodicSite: Cl (10.21, 5.183, 15.3) [0.5026, 0.2552, 0.7534]\n", + " PeriodicSite: Cl (9.957, 15.35, 5.283) [0.4902, 0.7555, 0.2601]\n", + " PeriodicSite: Cl (10.05, 15.41, 15.02) [0.4949, 0.7587, 0.7396]\n", + " PeriodicSite: S (5.107, 20.19, 5.484) [0.2514, 0.9938, 0.27]\n", + " PeriodicSite: S (5.168, 20.07, 15.15) [0.2544, 0.9879, 0.7459]\n", + " PeriodicSite: S (5.067, 10.05, 5.611) [0.2494, 0.495, 0.2763]\n", + " PeriodicSite: S (5.404, 10.01, 15.5) [0.266, 0.493, 0.7631]\n", + " PeriodicSite: S (15.22, 0.2812, 5.187) [0.7492, 0.01384, 0.2553]\n", + " PeriodicSite: S (15.1, 0.0945, 15.22) [0.7432, 0.004646, 0.7494]\n", + " PeriodicSite: S (14.97, 9.942, 5.172) [0.7371, 0.4894, 0.2546]\n", + " PeriodicSite: S (15.58, 9.947, 15.1) [0.767, 0.4897, 0.7435]\n", + " PeriodicSite: S (5.164, 4.984, 0.2644) [0.2542, 0.2454, 0.01302]\n", + " PeriodicSite: S (4.868, 4.952, 10.24) [0.2397, 0.2438, 0.5039]\n", + " PeriodicSite: S (5.347, 14.98, 20.14) [0.2632, 0.7376, 0.9918]\n", + " PeriodicSite: S (4.474, 15.2, 10.38) [0.2203, 0.7481, 0.5109]\n", + " PeriodicSite: S (15.16, 4.94, 0.01325) [0.7462, 0.2432, 0.000657]\n", + " PeriodicSite: S (15.24, 5.288, 10.03) [0.7505, 0.2603, 0.4937]\n", + " PeriodicSite: S (15.4, 15.39, 0.3673) [0.7584, 0.7575, 0.01809]\n", + " PeriodicSite: S (15.47, 15.17, 10.35) [0.7616, 0.7468, 0.5097]\n", + " PeriodicSite: S (8.865, 4.237, 8.5) [0.4364, 0.2086, 0.4185]\n", + " PeriodicSite: S (8.841, 4.163, 19.57) [0.4353, 0.2049, 0.9636]\n", + " PeriodicSite: S (8.996, 13.99, 9.15) [0.4429, 0.689, 0.4505]\n", + " PeriodicSite: S (9.189, 14.3, 19.16) [0.4524, 0.704, 0.9434]\n", + " PeriodicSite: S (18.92, 3.917, 8.623) [0.9316, 0.1928, 0.4245]\n", + " PeriodicSite: S (19.08, 4.441, 19.36) [0.9392, 0.2186, 0.9532]\n", + " PeriodicSite: S (18.97, 14.27, 8.629) [0.9341, 0.7027, 0.4248]\n", + " PeriodicSite: S (18.98, 14.03, 18.84) [0.9346, 0.6909, 0.9277]\n", + " PeriodicSite: S (3.656, 1.296, 1.196) [0.18, 0.06379, 0.05887]\n", + " PeriodicSite: S (4.038, 0.6547, 11.38) [0.1988, 0.03223, 0.56]\n", + " PeriodicSite: S (3.838, 11.5, 1.611) [0.1889, 0.5662, 0.0793]\n", + " PeriodicSite: S (3.875, 10.98, 11.68) [0.1908, 0.5407, 0.5752]\n", + " PeriodicSite: S (13.81, 1.003, 0.7615) [0.68, 0.04935, 0.03749]\n", + " PeriodicSite: S (13.91, 1.196, 11.48) [0.6846, 0.05887, 0.5653]\n", + " PeriodicSite: S (13.63, 11.25, 1.186) [0.6708, 0.554, 0.05839]\n", + " PeriodicSite: S (14.35, 11.12, 11.56) [0.7063, 0.5473, 0.5692]\n", + " PeriodicSite: S (6.219, 1.022, 9.064) [0.3062, 0.0503, 0.4462]\n", + " PeriodicSite: S (5.792, 1.218, 19.17) [0.2852, 0.05996, 0.9436]\n", + " PeriodicSite: S (6.544, 11.31, 9.384) [0.3222, 0.5567, 0.462]\n", + " PeriodicSite: S (5.956, 11.41, 19.18) [0.2932, 0.5618, 0.9441]\n", + " PeriodicSite: S (16.07, 1.253, 9.111) [0.7911, 0.06168, 0.4485]\n", + " PeriodicSite: S (16.16, 1.219, 18.82) [0.7955, 0.06002, 0.9263]\n", + " PeriodicSite: S (16.6, 11.35, 8.946) [0.8175, 0.5589, 0.4404]\n", + " PeriodicSite: S (15.99, 11.92, 19.09) [0.7874, 0.587, 0.9397]\n", + " PeriodicSite: S (1.011, 3.786, 1.219) [0.04977, 0.1864, 0.06003]\n", + " PeriodicSite: S (1.059, 3.573, 10.94) [0.05212, 0.1759, 0.5386]\n", + " PeriodicSite: S (0.7072, 13.91, 1.235) [0.03481, 0.6846, 0.06079]\n", + " PeriodicSite: S (0.8433, 13.95, 11.26) [0.04152, 0.6868, 0.5545]\n", + " PeriodicSite: S (11.08, 4.044, 1.51) [0.5454, 0.1991, 0.07436]\n", + " PeriodicSite: S (11.09, 3.514, 10.84) [0.5461, 0.173, 0.5335]\n", + " PeriodicSite: S (11.31, 14.38, 1.522) [0.5569, 0.7077, 0.07493]\n", + " PeriodicSite: S (11.59, 13.91, 11.32) [0.5704, 0.6847, 0.5575]\n", + " PeriodicSite: S (2.542, 2.641, 17.9) [0.1252, 0.13, 0.8812]\n", + " PeriodicSite: S (2.521, 12.58, 7.718) [0.1241, 0.6193, 0.38]\n", + " PeriodicSite: S (12.96, 2.567, 7.709) [0.6383, 0.1264, 0.3795]\n", + " PeriodicSite: S (8.44, 9.356, 3.837) [0.4155, 0.4606, 0.1889]\n", + " PeriodicSite: S (8.935, 9.047, 13.63) [0.4399, 0.4454, 0.6712]\n", + " PeriodicSite: S (9.202, 19.32, 3.438) [0.453, 0.9509, 0.1693]\n", + " PeriodicSite: S (9.407, 18.96, 14.12) [0.4631, 0.9335, 0.6954]\n", + " PeriodicSite: S (18.65, 9.026, 3.807) [0.9179, 0.4444, 0.1875]\n", + " PeriodicSite: S (19.19, 8.898, 13.82) [0.9445, 0.4381, 0.6805]\n", + " PeriodicSite: S (18.92, 19.06, 3.875) [0.9316, 0.9383, 0.1908]\n", + " PeriodicSite: S (19.33, 19.36, 14.21) [0.9515, 0.9532, 0.6998]\n", + " PeriodicSite: S (3.79, 6.423, 6.024) [0.1866, 0.3162, 0.2966]\n", + " PeriodicSite: S (4.358, 6.054, 16.84) [0.2146, 0.2981, 0.8291]\n", + " PeriodicSite: S (3.811, 16.28, 6.428) [0.1876, 0.8013, 0.3165]\n", + " PeriodicSite: S (3.417, 16.2, 16.23) [0.1682, 0.7977, 0.7991]\n", + " PeriodicSite: S (13.75, 6.196, 5.983) [0.6772, 0.305, 0.2946]\n", + " PeriodicSite: S (14.2, 6.763, 16.7) [0.6988, 0.3329, 0.822]\n", + " PeriodicSite: S (13.89, 16.11, 6.374) [0.6837, 0.7932, 0.3138]\n", + " PeriodicSite: S (13.59, 16.47, 16.5) [0.6691, 0.8107, 0.8125]\n", + " PeriodicSite: S (6.71, 6.384, 4.295) [0.3303, 0.3143, 0.2114]\n", + " PeriodicSite: S (6.365, 6.203, 14.13) [0.3134, 0.3054, 0.6955]\n", + " PeriodicSite: S (6.394, 16.46, 4.242) [0.3148, 0.8102, 0.2089]\n", + " PeriodicSite: S (5.96, 16.4, 13.88) [0.2934, 0.8073, 0.6835]\n", + " PeriodicSite: S (16.14, 6.538, 3.648) [0.7946, 0.3219, 0.1796]\n", + " PeriodicSite: S (16.49, 6.395, 14.21) [0.8116, 0.3148, 0.6994]\n", + " PeriodicSite: S (16.33, 16.26, 4.011) [0.8041, 0.8007, 0.1975]\n", + " PeriodicSite: S (15.63, 16.18, 13.95) [0.7695, 0.7967, 0.6868]\n", + " PeriodicSite: S (0.9636, 8.618, 5.936) [0.04744, 0.4243, 0.2922]\n", + " PeriodicSite: S (1.232, 9.3, 16.39) [0.06067, 0.4579, 0.8068]\n", + " PeriodicSite: S (0.9335, 18.93, 6.233) [0.04595, 0.932, 0.3069]\n", + " PeriodicSite: S (1.304, 19.49, 16.72) [0.06417, 0.9596, 0.8234]\n", + " PeriodicSite: S (11.11, 8.806, 5.805) [0.547, 0.4335, 0.2858]\n", + " PeriodicSite: S (11.48, 9.061, 16.04) [0.5653, 0.4461, 0.7896]\n", + " PeriodicSite: S (11.56, 18.91, 5.918) [0.5689, 0.931, 0.2914]\n", + " PeriodicSite: S (11.68, 19.59, 16.38) [0.5752, 0.9647, 0.8063]\n", + " PeriodicSite: S (2.684, 17.39, 2.755) [0.1321, 0.8559, 0.1356]\n", + " PeriodicSite: S (2.213, 17.58, 12.72) [0.1089, 0.8656, 0.626]\n", + " PeriodicSite: S (12.87, 7.677, 12.68) [0.6336, 0.3779, 0.6242]\n", + " PeriodicSite: S (12.66, 18.01, 2.423) [0.6233, 0.8866, 0.1193]\n", + " PeriodicSite: S (4.35, 3.892, 3.782) [0.2142, 0.1916, 0.1862]\n", + " PeriodicSite: S (4.007, 3.911, 14.02) [0.1973, 0.1925, 0.69]\n", + " PeriodicSite: S (3.996, 13.87, 4.1) [0.1967, 0.683, 0.2018]\n", + " PeriodicSite: S (3.757, 13.87, 13.97) [0.185, 0.6828, 0.6876]\n", + " PeriodicSite: S (14.1, 3.845, 3.69) [0.694, 0.1893, 0.1817]\n", + " PeriodicSite: S (13.89, 4.166, 14.2) [0.6838, 0.2051, 0.6989]\n", + " PeriodicSite: S (13.98, 14.04, 3.888) [0.6883, 0.6913, 0.1914]\n", + " PeriodicSite: S (13.62, 13.77, 14.43) [0.6703, 0.678, 0.7102]\n", + " PeriodicSite: S (9.151, 1.071, 6.058) [0.4505, 0.05272, 0.2982]\n", + " PeriodicSite: S (9.073, 1.197, 16.56) [0.4467, 0.05893, 0.8153]\n", + " PeriodicSite: S (8.94, 11.47, 6.103) [0.4401, 0.5647, 0.3005]\n", + " PeriodicSite: S (9.325, 11.5, 16.08) [0.4591, 0.566, 0.7915]\n", + " PeriodicSite: S (19.02, 1.097, 6.246) [0.9363, 0.05397, 0.3075]\n", + " PeriodicSite: S (19.12, 1.485, 16.48) [0.9411, 0.07309, 0.8114]\n", + " PeriodicSite: S (19.1, 11.19, 6.292) [0.9404, 0.5511, 0.3098]\n", + " PeriodicSite: S (18.79, 11.21, 16.05) [0.9252, 0.5517, 0.79]\n", + " PeriodicSite: S (1.201, 1.216, 4.122) [0.05912, 0.05984, 0.2029]\n", + " PeriodicSite: S (1.427, 1.509, 14.36) [0.07026, 0.0743, 0.707]\n", + " PeriodicSite: S (1.028, 11.1, 3.656) [0.05061, 0.5463, 0.18]\n", + " PeriodicSite: S (0.9899, 11.43, 13.96) [0.04873, 0.5628, 0.6871]\n", + " PeriodicSite: S (11.59, 1.285, 3.869) [0.5707, 0.06323, 0.1905]\n", + " PeriodicSite: S (11.21, 1.569, 13.95) [0.552, 0.07723, 0.687]\n", + " PeriodicSite: S (11.32, 11.37, 3.608) [0.5573, 0.5599, 0.1776]\n", + " PeriodicSite: S (11.41, 11.22, 13.51) [0.5618, 0.5524, 0.6652]\n", + " PeriodicSite: S (6.163, 4.158, 6.715) [0.3034, 0.2047, 0.3306]\n", + " PeriodicSite: S (6.487, 3.649, 16.32) [0.3194, 0.1797, 0.8034]\n", + " PeriodicSite: S (6.158, 13.94, 6.519) [0.3031, 0.6862, 0.3209]\n", + " PeriodicSite: S (6.207, 14.27, 16.33) [0.3056, 0.7026, 0.804]\n", + " PeriodicSite: S (16.48, 4.372, 6.031) [0.8113, 0.2152, 0.2969]\n", + " PeriodicSite: S (16.25, 4.065, 16.56) [0.8002, 0.2001, 0.8152]\n", + " PeriodicSite: S (16.24, 13.85, 6.263) [0.7993, 0.6816, 0.3083]\n", + " PeriodicSite: S (16.25, 14.44, 16.62) [0.7998, 0.711, 0.8181]\n", + " PeriodicSite: S (7.158, 2.631, 12.55) [0.3524, 0.1295, 0.6178]\n", + " PeriodicSite: S (7.858, 12.93, 2.55) [0.3869, 0.6367, 0.1255]\n", + " PeriodicSite: S (17.8, 2.237, 2.283) [0.8761, 0.1101, 0.1124]\n", + " PeriodicSite: S (17.38, 12.51, 2.39) [0.8555, 0.6158, 0.1177]\n", + " PeriodicSite: S (17.5, 12.83, 12.89) [0.8617, 0.6314, 0.6347]\n", + " PeriodicSite: S (4.072, 9.081, 9.215) [0.2005, 0.4471, 0.4537]\n", + " PeriodicSite: S (3.606, 9.09, 19.65) [0.1775, 0.4475, 0.9675]\n", + " PeriodicSite: S (4.024, 18.72, 8.911) [0.1981, 0.9217, 0.4387]\n", + " PeriodicSite: S (3.894, 18.86, 19.54) [0.1917, 0.9284, 0.962]\n", + " PeriodicSite: S (14.01, 9.144, 9.078) [0.6897, 0.4502, 0.4469]\n", + " PeriodicSite: S (13.54, 9.532, 18.96) [0.6668, 0.4693, 0.9333]\n", + " PeriodicSite: S (14.01, 19.09, 9.237) [0.6898, 0.9399, 0.4547]\n", + " PeriodicSite: S (14.34, 18.6, 19.08) [0.7058, 0.9157, 0.9396]\n", + " PeriodicSite: S (8.567, 6.544, 1.447) [0.4218, 0.3222, 0.07126]\n", + " PeriodicSite: S (9.017, 6.163, 11.15) [0.4439, 0.3034, 0.549]\n", + " PeriodicSite: S (9.006, 16.63, 1.257) [0.4434, 0.8186, 0.06187]\n", + " PeriodicSite: S (9.249, 16.41, 11.41) [0.4553, 0.8079, 0.5618]\n", + " PeriodicSite: S (19.15, 6.293, 1.465) [0.9426, 0.3098, 0.07211]\n", + " PeriodicSite: S (19.12, 5.937, 11.12) [0.9414, 0.2923, 0.5475]\n", + " PeriodicSite: S (18.99, 16.5, 1.187) [0.9348, 0.8122, 0.05844]\n", + " PeriodicSite: S (19.1, 16.67, 11.08) [0.9404, 0.8209, 0.5453]\n", + " PeriodicSite: S (1.275, 5.952, 8.561) [0.06277, 0.293, 0.4215]\n", + " PeriodicSite: S (1.398, 6.462, 19.57) [0.06885, 0.3181, 0.9634]\n", + " PeriodicSite: S (1.163, 16.25, 8.821) [0.05727, 0.8001, 0.4343]\n", + " PeriodicSite: S (1.076, 16.32, 19.12) [0.05295, 0.8032, 0.9415]\n", + " PeriodicSite: S (11.48, 6.091, 8.859) [0.5652, 0.2999, 0.4361]\n", + " PeriodicSite: S (11.11, 6.629, 19.58) [0.547, 0.3264, 0.9638]\n", + " PeriodicSite: S (11.49, 16.46, 8.973) [0.5655, 0.8101, 0.4417]\n", + " PeriodicSite: S (11.46, 16.49, 19.23) [0.5643, 0.8119, 0.9469]\n", + " PeriodicSite: S (6.318, 9.358, 1.546) [0.311, 0.4607, 0.07613]\n", + " PeriodicSite: S (6.6, 8.926, 11.62) [0.3249, 0.4394, 0.572]\n", + " PeriodicSite: S (6.385, 19.5, 1.615) [0.3143, 0.9601, 0.07949]\n", + " PeriodicSite: S (6.728, 18.7, 11.04) [0.3312, 0.9207, 0.5434]\n", + " PeriodicSite: S (15.99, 9.15, 0.8193) [0.787, 0.4505, 0.04034]\n", + " PeriodicSite: S (16.66, 8.828, 11.19) [0.82, 0.4346, 0.5508]\n", + " PeriodicSite: S (16.43, 19.33, 1.193) [0.809, 0.9515, 0.05876]\n", + " PeriodicSite: S (16.7, 19.28, 11.4) [0.8221, 0.9494, 0.5611]\n", + " PeriodicSite: S (7.902, 7.645, 17.66) [0.389, 0.3764, 0.8692]\n", + " PeriodicSite: S (7.709, 17.78, 7.629) [0.3795, 0.8755, 0.3756]\n", + " PeriodicSite: S (17.53, 7.743, 7.525) [0.8629, 0.3812, 0.3705]\n", + " PeriodicSite: S (17.91, 17.79, 7.596) [0.8815, 0.8761, 0.374]\n", + " PeriodicSite: P (4.98, 20.29, 0.2269) [0.2451, 0.9987, 0.01118]\n", + " PeriodicSite: P (5.205, 19.83, 10.21) [0.2563, 0.9761, 0.5025]\n", + " PeriodicSite: P (4.943, 10.39, 0.4481) [0.2433, 0.5115, 0.02206]\n", + " PeriodicSite: P (5.32, 10.15, 10.51) [0.2619, 0.4995, 0.5175]\n", + " PeriodicSite: P (15.29, 20.19, 20.05) [0.7525, 0.9941, 0.9872]\n", + " PeriodicSite: P (15.26, 0.02817, 10.52) [0.7512, 0.001381, 0.5179]\n", + " PeriodicSite: P (14.85, 10.48, 20.07) [0.7312, 0.5159, 0.988]\n", + " PeriodicSite: P (15.37, 10.12, 10.17) [0.7568, 0.4984, 0.5007]\n", + " PeriodicSite: P (5.302, 5.22, 5.209) [0.261, 0.257, 0.2565]\n", + " PeriodicSite: P (5.286, 4.983, 15.28) [0.2603, 0.2453, 0.7524]\n", + " PeriodicSite: P (5.116, 15.2, 5.23) [0.2519, 0.7482, 0.2575]\n", + " PeriodicSite: P (4.812, 15.15, 15.08) [0.2369, 0.7459, 0.7423]\n", + " PeriodicSite: P (15.08, 5.216, 4.848) [0.7423, 0.2568, 0.2387]\n", + " PeriodicSite: P (15.04, 5.382, 15.45) [0.7403, 0.265, 0.7605]\n", + " PeriodicSite: P (15.07, 15.13, 5.1) [0.742, 0.7448, 0.2511]\n", + " PeriodicSite: P (14.72, 15.23, 15.37) [0.7247, 0.7496, 0.7569]\n", + " PeriodicSite: P (20.17, 20.25, 5.08) [0.9929, 0.9969, 0.2501]\n", + " PeriodicSite: P (0.1057, 0.3241, 15.46) [0.005207, 0.01596, 0.761]\n", + " PeriodicSite: P (20.08, 10.0, 4.92) [0.9886, 0.4924, 0.2422]\n", + " PeriodicSite: P (20.16, 10.16, 14.98) [0.9927, 0.5, 0.7376]\n", + " PeriodicSite: P (10.49, 20.28, 4.883) [0.5163, 0.9984, 0.2404]\n", + " PeriodicSite: P (10.28, 0.1664, 15.22) [0.5061, 0.00819, 0.7492]\n", + " PeriodicSite: P (10.02, 10.19, 4.82) [0.4933, 0.5015, 0.2373]\n", + " PeriodicSite: P (10.25, 10.2, 14.89) [0.5045, 0.5023, 0.733]\n", + " PeriodicSite: P (0.1254, 5.233, 0.2923) [0.006173, 0.2576, 0.01439]\n", + " PeriodicSite: P (0.06548, 4.903, 9.772) [0.003224, 0.2414, 0.4811]\n", + " PeriodicSite: P (19.96, 15.19, 20.28) [0.9829, 0.7476, 0.9982]\n", + " PeriodicSite: P (20.15, 15.24, 10.03) [0.9922, 0.7505, 0.4939]\n", + " PeriodicSite: P (9.904, 5.326, 0.5178) [0.4876, 0.2622, 0.0255]\n", + " PeriodicSite: P (10.16, 5.053, 9.87) [0.4999, 0.2488, 0.4859]\n", + " PeriodicSite: P (10.19, 15.46, 0.1873) [0.5016, 0.7609, 0.009227]\n", + " PeriodicSite: P (10.35, 15.21, 10.19) [0.5095, 0.7487, 0.5016],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.728, 5.149, 3.591) [0.1343, 0.2535, 0.1768]\n", + " PeriodicSite: Li (2.194, 3.504, 15.83) [0.108, 0.1725, 0.7794]\n", + " PeriodicSite: Li (0.3757, 12.11, 8.104) [0.01849, 0.596, 0.399]\n", + " PeriodicSite: Li (0.7521, 14.23, 17.4) [0.03702, 0.7003, 0.8565]\n", + " PeriodicSite: Li (14.54, 0.6448, 7.287) [0.7159, 0.03174, 0.3587]\n", + " PeriodicSite: Li (11.88, 3.396, 15.22) [0.5848, 0.1672, 0.7493]\n", + " PeriodicSite: Li (16.9, 12.19, 4.785) [0.8318, 0.6, 0.2356]\n", + " PeriodicSite: Li (17.59, 8.324, 15.41) [0.8657, 0.4098, 0.7587]\n", + " PeriodicSite: Li (3.395, 4.895, 8.29) [0.1671, 0.241, 0.4081]\n", + " PeriodicSite: Li (1.723, 0.3173, 18.74) [0.08485, 0.01562, 0.9224]\n", + " PeriodicSite: Li (4.939, 8.393, 7.054) [0.2432, 0.4132, 0.3473]\n", + " PeriodicSite: Li (7.547, 10.1, 16.48) [0.3715, 0.4975, 0.8112]\n", + " PeriodicSite: Li (11.71, 5.106, 6.815) [0.5767, 0.2514, 0.3355]\n", + " PeriodicSite: Li (13.88, 3.643, 1.328) [0.6835, 0.1794, 0.0654]\n", + " PeriodicSite: Li (12.31, 9.475, 11.2) [0.6062, 0.4664, 0.5511]\n", + " PeriodicSite: Li (9.779, 18.46, 18.27) [0.4814, 0.9089, 0.8992]\n", + " PeriodicSite: Li (5.212, 1.96, 6.618) [0.2566, 0.09649, 0.3258]\n", + " PeriodicSite: Li (3.417, 0.9242, 16.37) [0.1682, 0.0455, 0.8061]\n", + " PeriodicSite: Li (5.058, 11.24, 7.858) [0.249, 0.5532, 0.3869]\n", + " PeriodicSite: Li (6.052, 12.04, 15.07) [0.298, 0.5928, 0.7417]\n", + " PeriodicSite: Li (12.18, 0.7649, 9.445) [0.5994, 0.03765, 0.465]\n", + " PeriodicSite: Li (10.85, 1.246, 17.94) [0.5344, 0.06136, 0.8833]\n", + " PeriodicSite: Li (14.71, 14.57, 8.029) [0.724, 0.7175, 0.3953]\n", + " PeriodicSite: Li (11.49, 10.93, 17.93) [0.5659, 0.5383, 0.8825]\n", + " PeriodicSite: Li (0.2619, 3.271, 6.898) [0.0129, 0.161, 0.3396]\n", + " PeriodicSite: Li (0.2112, 2.771, 18.12) [0.0104, 0.1364, 0.8919]\n", + " PeriodicSite: Li (1.595, 14.57, 7.153) [0.07851, 0.7172, 0.3521]\n", + " PeriodicSite: Li (2.78, 13.02, 20.16) [0.1368, 0.6408, 0.9926]\n", + " PeriodicSite: Li (13.39, 1.84, 5.481) [0.6592, 0.0906, 0.2698]\n", + " PeriodicSite: Li (13.89, 0.3746, 17.28) [0.6837, 0.01844, 0.8506]\n", + " PeriodicSite: Li (10.51, 12.3, 8.282) [0.5176, 0.6055, 0.4077]\n", + " PeriodicSite: Li (15.13, 17.09, 17.52) [0.745, 0.8416, 0.8623]\n", + " PeriodicSite: Li (7.478, 0.05431, 4.312) [0.3682, 0.002671, 0.2123]\n", + " PeriodicSite: Li (2.083, 20.0, 2.395) [0.1025, 0.9848, 0.1179]\n", + " PeriodicSite: Li (3.092, 13.81, 10.11) [0.1522, 0.6801, 0.4978]\n", + " PeriodicSite: Li (1.461, 17.06, 15.3) [0.07192, 0.84, 0.7534]\n", + " PeriodicSite: Li (14.84, 3.484, 7.99) [0.7306, 0.1715, 0.3934]\n", + " PeriodicSite: Li (14.73, 3.251, 18.48) [0.7253, 0.16, 0.9096]\n", + " PeriodicSite: Li (18.43, 15.52, 6.58) [0.9071, 0.7641, 0.3239]\n", + " PeriodicSite: Li (11.59, 12.55, 20.21) [0.5705, 0.6177, 0.995]\n", + " PeriodicSite: Li (5.225, 1.734, 3.387) [0.2572, 0.08536, 0.1667]\n", + " PeriodicSite: Li (4.996, 2.805, 18.05) [0.246, 0.1381, 0.8886]\n", + " PeriodicSite: Li (3.28, 11.51, 5.715) [0.1615, 0.5664, 0.2814]\n", + " PeriodicSite: Li (19.71, 13.51, 3.814) [0.9705, 0.6652, 0.1878]\n", + " PeriodicSite: Li (10.23, 1.618, 7.713) [0.5038, 0.07965, 0.3797]\n", + " PeriodicSite: Li (17.21, 20.24, 16.82) [0.8472, 0.9963, 0.8281]\n", + " PeriodicSite: Li (13.63, 11.48, 3.903) [0.6709, 0.5652, 0.1922]\n", + " PeriodicSite: Li (14.78, 8.465, 16.84) [0.7278, 0.4167, 0.8288]\n", + " PeriodicSite: Li (3.966, 10.8, 17.58) [0.1953, 0.5317, 0.8654]\n", + " PeriodicSite: Li (2.464, 10.72, 9.839) [0.1213, 0.5277, 0.4844]\n", + " PeriodicSite: Li (2.07, 17.83, 0.6778) [0.1019, 0.8778, 0.03337]\n", + " PeriodicSite: Li (2.055, 1.6, 9.32) [0.1012, 0.07879, 0.4588]\n", + " PeriodicSite: Li (11.78, 5.246, 3.246) [0.5797, 0.2583, 0.1598]\n", + " PeriodicSite: Li (13.12, 9.677, 14.36) [0.646, 0.4764, 0.7069]\n", + " PeriodicSite: Li (11.71, 15.83, 6.865) [0.5765, 0.7794, 0.338]\n", + " PeriodicSite: Li (13.84, 0.07179, 13.13) [0.6815, 0.003529, 0.6465]\n", + " PeriodicSite: Li (4.04, 6.486, 0.1059) [0.1989, 0.3193, 0.005215]\n", + " PeriodicSite: Li (2.556, 5.119, 11.13) [0.1258, 0.252, 0.5479]\n", + " PeriodicSite: Li (6.616, 15.62, 19.03) [0.3257, 0.7692, 0.937]\n", + " PeriodicSite: Li (5.196, 18.22, 16.54) [0.2558, 0.897, 0.8141]\n", + " PeriodicSite: Li (14.64, 7.007, 0.8578) [0.721, 0.345, 0.04223]\n", + " PeriodicSite: Li (10.26, 7.83, 12.17) [0.5052, 0.3855, 0.599]\n", + " PeriodicSite: Li (13.41, 18.19, 4.823) [0.6599, 0.8954, 0.2374]\n", + " PeriodicSite: Li (10.64, 17.04, 13.11) [0.5236, 0.8389, 0.6454]\n", + " PeriodicSite: Li (1.646, 8.745, 0.6866) [0.08103, 0.4305, 0.0338]\n", + " PeriodicSite: Li (4.399, 7.085, 10.72) [0.2166, 0.3488, 0.5279]\n", + " PeriodicSite: Li (4.452, 17.0, 1.315) [0.2192, 0.8367, 0.06474]\n", + " PeriodicSite: Li (2.875, 17.45, 10.58) [0.1415, 0.8591, 0.521]\n", + " PeriodicSite: Li (12.07, 9.09, 0.6386) [0.5941, 0.4475, 0.03144]\n", + " PeriodicSite: Li (12.1, 6.698, 14.59) [0.5956, 0.3297, 0.7184]\n", + " PeriodicSite: Li (12.33, 15.48, 3.496) [0.6071, 0.7619, 0.1721]\n", + " PeriodicSite: Li (13.72, 15.61, 12.6) [0.6755, 0.7685, 0.6203]\n", + " PeriodicSite: Li (0.2562, 7.347, 3.921) [0.01261, 0.3617, 0.1931]\n", + " PeriodicSite: Li (17.21, 5.533, 9.216) [0.8472, 0.2724, 0.4537]\n", + " PeriodicSite: Li (1.987, 17.21, 5.194) [0.09782, 0.8475, 0.2557]\n", + " PeriodicSite: Li (0.1433, 18.69, 12.02) [0.007049, 0.9202, 0.5917]\n", + " PeriodicSite: Li (9.452, 7.027, 3.307) [0.4653, 0.3459, 0.1628]\n", + " PeriodicSite: Li (15.1, 8.351, 13.39) [0.7435, 0.4111, 0.6594]\n", + " PeriodicSite: Li (13.01, 16.0, 0.6425) [0.6404, 0.7877, 0.03163]\n", + " PeriodicSite: Li (10.64, 14.63, 17.87) [0.524, 0.7202, 0.88]\n", + " PeriodicSite: Li (6.229, 8.999, 4.122) [0.3067, 0.443, 0.2029]\n", + " PeriodicSite: Li (19.4, 12.15, 11.47) [0.9551, 0.5983, 0.5647]\n", + " PeriodicSite: Li (0.1323, 17.12, 2.78) [0.006507, 0.8426, 0.1369]\n", + " PeriodicSite: Li (3.601, 19.43, 13.77) [0.1773, 0.9563, 0.6778]\n", + " PeriodicSite: Li (16.96, 10.41, 2.862) [0.8349, 0.5123, 0.1409]\n", + " PeriodicSite: Li (12.91, 5.93, 10.97) [0.6357, 0.2919, 0.5399]\n", + " PeriodicSite: Li (12.44, 18.78, 0.3828) [0.6126, 0.9244, 0.01885]\n", + " PeriodicSite: Li (13.26, 17.15, 10.14) [0.6529, 0.8445, 0.4991]\n", + " PeriodicSite: Li (3.198, 2.992, 0.3213) [0.1575, 0.1473, 0.01582]\n", + " PeriodicSite: Li (4.957, 8.682, 13.4) [0.244, 0.4274, 0.6595]\n", + " PeriodicSite: Li (4.566, 18.69, 3.679) [0.2248, 0.9203, 0.1811]\n", + " PeriodicSite: Li (0.2982, 16.07, 12.93) [0.01468, 0.7913, 0.6366]\n", + " PeriodicSite: Li (13.35, 8.355, 4.474) [0.6571, 0.4113, 0.2203]\n", + " PeriodicSite: Li (15.74, 6.164, 11.75) [0.7748, 0.3035, 0.5786]\n", + " PeriodicSite: Li (15.29, 16.97, 2.109) [0.7528, 0.8353, 0.1038]\n", + " PeriodicSite: Li (18.52, 4.252, 14.4) [0.9118, 0.2093, 0.7091]\n", + " PeriodicSite: Li (9.801, 2.66, 3.743) [0.4825, 0.1309, 0.1843]\n", + " PeriodicSite: Li (9.987, 2.289, 12.51) [0.4917, 0.1127, 0.6157]\n", + " PeriodicSite: Li (6.756, 12.26, 4.685) [0.3326, 0.6034, 0.2307]\n", + " PeriodicSite: Li (2.686, 10.81, 14.11) [0.1322, 0.5322, 0.6947]\n", + " PeriodicSite: Li (16.98, 1.991, 4.915) [0.8361, 0.09803, 0.242]\n", + " PeriodicSite: Li (12.99, 3.517, 9.373) [0.6397, 0.1731, 0.4615]\n", + " PeriodicSite: Li (18.6, 12.23, 0.3431) [0.9157, 0.6021, 0.0169]\n", + " PeriodicSite: Li (17.11, 10.54, 13.19) [0.8425, 0.5187, 0.6496]\n", + " PeriodicSite: Li (5.253, 18.25, 6.732) [0.2586, 0.8983, 0.3314]\n", + " PeriodicSite: Li (8.04, 2.88, 15.03) [0.3958, 0.1418, 0.7398]\n", + " PeriodicSite: Li (6.87, 13.2, 0.4327) [0.3382, 0.6499, 0.02131]\n", + " PeriodicSite: Li (9.347, 14.49, 13.06) [0.4602, 0.7134, 0.6428]\n", + " PeriodicSite: Li (13.4, 20.27, 3.069) [0.6598, 0.9978, 0.1511]\n", + " PeriodicSite: Li (19.62, 1.797, 11.44) [0.966, 0.08845, 0.563]\n", + " PeriodicSite: Li (17.42, 14.99, 2.091) [0.8576, 0.738, 0.103]\n", + " PeriodicSite: Li (16.58, 15.05, 12.27) [0.8163, 0.7408, 0.6042]\n", + " PeriodicSite: Li (8.4, 5.526, 6.603) [0.4135, 0.2721, 0.3251]\n", + " PeriodicSite: Li (6.926, 19.52, 14.03) [0.341, 0.9612, 0.6905]\n", + " PeriodicSite: Li (10.06, 13.37, 3.291) [0.4953, 0.6584, 0.162]\n", + " PeriodicSite: Li (5.143, 13.6, 12.19) [0.2532, 0.6696, 0.6003]\n", + " PeriodicSite: Li (19.99, 3.092, 3.371) [0.9841, 0.1522, 0.166]\n", + " PeriodicSite: Li (0.3748, 7.257, 13.16) [0.01845, 0.3573, 0.6481]\n", + " PeriodicSite: Li (15.3, 13.17, 1.703) [0.7533, 0.6482, 0.08384]\n", + " PeriodicSite: Li (15.33, 12.2, 13.43) [0.7547, 0.6005, 0.6614]\n", + " PeriodicSite: Li (3.076, 0.8019, 5.371) [0.1514, 0.03948, 0.2644]\n", + " PeriodicSite: Li (5.481, 1.871, 13.64) [0.2698, 0.09209, 0.6714]\n", + " PeriodicSite: Li (5.071, 13.46, 2.319) [0.2496, 0.6629, 0.1142]\n", + " PeriodicSite: Li (8.131, 7.137, 15.7) [0.4003, 0.3514, 0.773]\n", + " PeriodicSite: Li (17.43, 4.877, 2.256) [0.8583, 0.2401, 0.1111]\n", + " PeriodicSite: Li (17.1, 0.2509, 13.78) [0.8418, 0.01235, 0.6782]\n", + " PeriodicSite: Li (14.58, 13.94, 19.02) [0.7177, 0.6863, 0.9362]\n", + " PeriodicSite: Li (16.67, 12.86, 10.44) [0.8209, 0.6333, 0.5142]\n", + " PeriodicSite: Li (6.86, 2.893, 20.04) [0.3377, 0.1424, 0.9866]\n", + " PeriodicSite: Li (5.752, 2.69, 11.02) [0.2832, 0.1324, 0.5424]\n", + " PeriodicSite: Li (8.815, 11.2, 2.277) [0.434, 0.5514, 0.1121]\n", + " PeriodicSite: Li (8.466, 11.08, 11.42) [0.4168, 0.5453, 0.5622]\n", + " PeriodicSite: Li (16.5, 0.3405, 2.75) [0.8122, 0.01675, 0.1354]\n", + " PeriodicSite: Li (15.87, 2.625, 11.17) [0.7815, 0.1292, 0.5497]\n", + " PeriodicSite: Li (0.4546, 10.83, 17.76) [0.02238, 0.533, 0.8742]\n", + " PeriodicSite: Li (18.98, 13.19, 14.18) [0.9346, 0.6495, 0.6979]\n", + " PeriodicSite: Li (8.438, 20.19, 1.278) [0.4154, 0.9938, 0.06294]\n", + " PeriodicSite: Li (8.1, 0.9642, 10.54) [0.3988, 0.04747, 0.5191]\n", + " PeriodicSite: Li (7.99, 15.13, 4.335) [0.3934, 0.745, 0.2134]\n", + " PeriodicSite: Li (4.488, 16.25, 12.88) [0.221, 0.7998, 0.6342]\n", + " PeriodicSite: Li (16.31, 2.776, 0.3569) [0.8029, 0.1366, 0.01758]\n", + " PeriodicSite: Li (2.224, 7.307, 15.22) [0.1095, 0.3597, 0.7493]\n", + " PeriodicSite: Li (4.737, 14.26, 8.23) [0.2332, 0.7023, 0.4052]\n", + " PeriodicSite: Li (13.4, 13.3, 9.768) [0.6598, 0.6546, 0.4809]\n", + " PeriodicSite: Li (13.86, 11.02, 7.033) [0.6822, 0.5426, 0.3463]\n", + " PeriodicSite: Li (5.34, 7.811, 16.31) [0.2629, 0.3846, 0.8029]\n", + " PeriodicSite: Li (7.204, 14.31, 10.68) [0.3546, 0.7045, 0.5259]\n", + " PeriodicSite: Li (4.753, 13.57, 18.48) [0.234, 0.6681, 0.9097]\n", + " PeriodicSite: Li (16.45, 9.732, 7.065) [0.8099, 0.4791, 0.3478]\n", + " PeriodicSite: Li (2.773, 4.731, 18.59) [0.1365, 0.2329, 0.9153]\n", + " PeriodicSite: Li (17.21, 18.89, 5.307) [0.8473, 0.9298, 0.2613]\n", + " PeriodicSite: Li (19.84, 18.13, 18.4) [0.9768, 0.8923, 0.906]\n", + " PeriodicSite: Li (7.72, 10.02, 6.832) [0.38, 0.4933, 0.3363]\n", + " PeriodicSite: Li (10.62, 6.36, 17.12) [0.5228, 0.3131, 0.8428]\n", + " PeriodicSite: Li (7.416, 20.01, 7.485) [0.3651, 0.9853, 0.3685]\n", + " PeriodicSite: Li (7.941, 16.17, 15.74) [0.3909, 0.7959, 0.7751]\n", + " PeriodicSite: Li (18.05, 9.444, 8.975) [0.8886, 0.4649, 0.4419]\n", + " PeriodicSite: Li (16.82, 5.475, 18.45) [0.8282, 0.2695, 0.9086]\n", + " PeriodicSite: Li (18.19, 19.83, 8.249) [0.8956, 0.9765, 0.4061]\n", + " PeriodicSite: Li (17.54, 16.0, 16.13) [0.8637, 0.7877, 0.794]\n", + " PeriodicSite: Li (7.018, 4.927, 9.475) [0.3455, 0.2426, 0.4664]\n", + " PeriodicSite: Li (7.339, 5.632, 19.0) [0.3613, 0.2773, 0.9352]\n", + " PeriodicSite: Li (8.945, 18.26, 9.593) [0.4404, 0.8991, 0.4723]\n", + " PeriodicSite: Li (11.56, 13.26, 14.47) [0.5691, 0.6526, 0.7122]\n", + " PeriodicSite: Li (20.22, 7.502, 7.883) [0.9956, 0.3693, 0.3881]\n", + " PeriodicSite: Li (20.22, 6.775, 17.62) [0.9952, 0.3335, 0.8676]\n", + " PeriodicSite: Li (16.97, 16.65, 9.5) [0.8355, 0.8199, 0.4677]\n", + " PeriodicSite: Li (17.07, 16.83, 19.78) [0.8405, 0.8284, 0.9737]\n", + " PeriodicSite: Li (8.787, 8.016, 9.399) [0.4326, 0.3947, 0.4627]\n", + " PeriodicSite: Li (6.542, 4.9, 2.067) [0.322, 0.2412, 0.1017]\n", + " PeriodicSite: Li (6.115, 17.4, 9.634) [0.3011, 0.8567, 0.4743]\n", + " PeriodicSite: Li (6.918, 15.39, 1.696) [0.3406, 0.7577, 0.08349]\n", + " PeriodicSite: Li (15.13, 6.724, 8.243) [0.7447, 0.331, 0.4058]\n", + " PeriodicSite: Li (18.2, 8.461, 19.69) [0.896, 0.4166, 0.9695]\n", + " PeriodicSite: Li (15.41, 18.31, 7.216) [0.7587, 0.9012, 0.3553]\n", + " PeriodicSite: Li (14.38, 18.41, 14.92) [0.7079, 0.9062, 0.7346]\n", + " PeriodicSite: Li (7.233, 4.88, 12.24) [0.3561, 0.2403, 0.6027]\n", + " PeriodicSite: Li (6.296, 8.962, 18.96) [0.31, 0.4412, 0.9333]\n", + " PeriodicSite: Li (9.234, 17.72, 6.156) [0.4546, 0.8722, 0.3031]\n", + " PeriodicSite: Li (10.8, 17.72, 2.417) [0.5315, 0.8725, 0.119]\n", + " PeriodicSite: Li (16.98, 8.013, 5.336) [0.836, 0.3945, 0.2627]\n", + " PeriodicSite: Li (13.43, 5.862, 19.19) [0.6613, 0.2886, 0.9449]\n", + " PeriodicSite: Li (19.92, 18.07, 7.764) [0.9806, 0.8898, 0.3822]\n", + " PeriodicSite: Li (18.99, 0.7723, 2.02) [0.9349, 0.03801, 0.09943]\n", + " PeriodicSite: Li (3.257, 8.393, 4.483) [0.1604, 0.4132, 0.2207]\n", + " PeriodicSite: Li (9.387, 8.315, 19.02) [0.4621, 0.4094, 0.9363]\n", + " PeriodicSite: Li (7.828, 15.44, 7.647) [0.3854, 0.7603, 0.3765]\n", + " PeriodicSite: Li (6.968, 0.1883, 16.78) [0.343, 0.009268, 0.8259]\n", + " PeriodicSite: Li (18.65, 5.506, 6.699) [0.9181, 0.2711, 0.3298]\n", + " PeriodicSite: Li (16.28, 11.63, 16.79) [0.8014, 0.5726, 0.8266]\n", + " PeriodicSite: Li (2.452, 15.07, 2.481) [0.1207, 0.7421, 0.1222]\n", + " PeriodicSite: Li (14.81, 2.239, 15.41) [0.729, 0.1102, 0.7587]\n", + " PeriodicSite: Cl (7.471, 13.13, 12.65) [0.3678, 0.6466, 0.6228]\n", + " PeriodicSite: Cl (2.477, 12.67, 18.08) [0.122, 0.6239, 0.8899]\n", + " PeriodicSite: Cl (12.65, 17.8, 12.48) [0.623, 0.8761, 0.6145]\n", + " PeriodicSite: Cl (17.49, 7.777, 17.68) [0.8611, 0.3828, 0.8706]\n", + " PeriodicSite: Cl (7.414, 2.326, 2.247) [0.365, 0.1145, 0.1106]\n", + " PeriodicSite: Cl (7.223, 7.82, 7.703) [0.3556, 0.385, 0.3792]\n", + " PeriodicSite: Cl (12.65, 12.87, 7.626) [0.6229, 0.6336, 0.3755]\n", + " PeriodicSite: Cl (2.648, 7.356, 2.396) [0.1304, 0.3621, 0.118]\n", + " PeriodicSite: Cl (2.611, 7.301, 12.97) [0.1285, 0.3594, 0.6383]\n", + " PeriodicSite: Cl (12.3, 13.02, 18.26) [0.6058, 0.6411, 0.8988]\n", + " PeriodicSite: Cl (17.66, 17.78, 17.65) [0.8692, 0.8753, 0.8689]\n", + " PeriodicSite: Cl (2.873, 2.408, 7.229) [0.1414, 0.1185, 0.3559]\n", + " PeriodicSite: Cl (12.72, 2.613, 17.11) [0.6263, 0.1287, 0.8426]\n", + " PeriodicSite: Cl (12.54, 7.611, 2.301) [0.6174, 0.3747, 0.1133]\n", + " PeriodicSite: Cl (17.93, 2.747, 12.54) [0.8829, 0.1352, 0.6174]\n", + " PeriodicSite: Cl (7.597, 17.63, 17.58) [0.374, 0.8678, 0.8655]\n", + " PeriodicSite: Cl (0.2188, 19.98, 0.1187) [0.01076, 0.9836, 0.005847]\n", + " PeriodicSite: Cl (20.04, 0.5058, 9.689) [0.9867, 0.02489, 0.477]\n", + " PeriodicSite: Cl (20.16, 10.01, 19.66) [0.9923, 0.4928, 0.9681]\n", + " PeriodicSite: Cl (0.1005, 10.68, 10.02) [0.004944, 0.5259, 0.4933]\n", + " PeriodicSite: Cl (10.21, 20.13, 19.68) [0.5026, 0.9909, 0.969]\n", + " PeriodicSite: Cl (9.909, 0.02343, 9.55) [0.4878, 0.00115, 0.4702]\n", + " PeriodicSite: Cl (10.12, 10.14, 20.18) [0.4981, 0.4991, 0.9936]\n", + " PeriodicSite: Cl (9.995, 9.575, 10.56) [0.492, 0.4714, 0.52]\n", + " PeriodicSite: Cl (0.4583, 4.809, 5.131) [0.02256, 0.2368, 0.2526]\n", + " PeriodicSite: Cl (0.01301, 5.828, 15.18) [0.000642, 0.2869, 0.7475]\n", + " PeriodicSite: Cl (0.3105, 15.35, 4.859) [0.01528, 0.7559, 0.2392]\n", + " PeriodicSite: Cl (20.13, 15.42, 15.39) [0.991, 0.7594, 0.7575]\n", + " PeriodicSite: Cl (9.996, 5.308, 5.085) [0.4921, 0.2613, 0.2504]\n", + " PeriodicSite: Cl (10.25, 5.375, 15.23) [0.5048, 0.2646, 0.75]\n", + " PeriodicSite: Cl (10.1, 15.58, 5.068) [0.497, 0.7672, 0.2495]\n", + " PeriodicSite: Cl (10.31, 15.23, 15.14) [0.5074, 0.75, 0.7454]\n", + " PeriodicSite: S (5.283, 0.1204, 5.143) [0.2601, 0.005925, 0.2532]\n", + " PeriodicSite: S (5.197, 0.02438, 15.23) [0.2559, 0.001199, 0.7496]\n", + " PeriodicSite: S (5.198, 10.26, 5.678) [0.2559, 0.5051, 0.2795]\n", + " PeriodicSite: S (4.793, 10.14, 15.42) [0.236, 0.4992, 0.7593]\n", + " PeriodicSite: S (15.2, 20.21, 5.086) [0.7484, 0.9951, 0.2504]\n", + " PeriodicSite: S (15.43, 0.1614, 15.13) [0.7597, 0.00794, 0.7447]\n", + " PeriodicSite: S (15.35, 10.28, 5.131) [0.7557, 0.506, 0.2526]\n", + " PeriodicSite: S (15.35, 10.08, 15.11) [0.7556, 0.4964, 0.744]\n", + " PeriodicSite: S (5.206, 4.468, 20.1) [0.2563, 0.22, 0.9895]\n", + " PeriodicSite: S (4.953, 4.756, 10.52) [0.2438, 0.2341, 0.5178]\n", + " PeriodicSite: S (5.036, 14.85, 0.5138) [0.2479, 0.7312, 0.0253]\n", + " PeriodicSite: S (5.066, 15.13, 10.34) [0.2494, 0.7448, 0.5091]\n", + " PeriodicSite: S (15.22, 4.802, 20.11) [0.7492, 0.2364, 0.9898]\n", + " PeriodicSite: S (15.06, 4.896, 9.939) [0.7415, 0.241, 0.4893]\n", + " PeriodicSite: S (15.28, 15.28, 0.4278) [0.7522, 0.752, 0.02107]\n", + " PeriodicSite: S (15.05, 15.19, 10.49) [0.7412, 0.7477, 0.5164]\n", + " PeriodicSite: S (9.437, 4.131, 8.272) [0.4646, 0.2034, 0.4072]\n", + " PeriodicSite: S (9.181, 4.091, 18.74) [0.452, 0.2014, 0.9225]\n", + " PeriodicSite: S (9.148, 14.23, 9.1) [0.4504, 0.7005, 0.448]\n", + " PeriodicSite: S (8.893, 14.17, 19.35) [0.4378, 0.6978, 0.9528]\n", + " PeriodicSite: S (19.05, 3.722, 8.483) [0.9378, 0.1832, 0.4176]\n", + " PeriodicSite: S (19.37, 4.61, 18.78) [0.9537, 0.2269, 0.9244]\n", + " PeriodicSite: S (18.94, 14.34, 8.653) [0.9324, 0.706, 0.426]\n", + " PeriodicSite: S (19.16, 13.93, 18.76) [0.9432, 0.6855, 0.9236]\n", + " PeriodicSite: S (3.644, 1.079, 1.5) [0.1794, 0.05312, 0.07384]\n", + " PeriodicSite: S (4.054, 0.8431, 11.62) [0.1996, 0.04151, 0.572]\n", + " PeriodicSite: S (3.421, 11.32, 1.419) [0.1684, 0.5573, 0.06987]\n", + " PeriodicSite: S (4.184, 11.18, 11.86) [0.206, 0.5504, 0.5837]\n", + " PeriodicSite: S (13.72, 0.9864, 0.6787) [0.6753, 0.04856, 0.03342]\n", + " PeriodicSite: S (13.95, 1.348, 11.08) [0.6869, 0.06635, 0.5457]\n", + " PeriodicSite: S (13.65, 11.13, 1.324) [0.6718, 0.5478, 0.06518]\n", + " PeriodicSite: S (14.0, 11.3, 11.29) [0.6894, 0.5561, 0.556]\n", + " PeriodicSite: S (6.381, 1.359, 9.262) [0.3141, 0.0669, 0.456]\n", + " PeriodicSite: S (6.058, 0.9458, 19.16) [0.2982, 0.04656, 0.9434]\n", + " PeriodicSite: S (6.508, 11.53, 9.707) [0.3204, 0.5679, 0.4779]\n", + " PeriodicSite: S (5.582, 11.62, 19.09) [0.2748, 0.5719, 0.9401]\n", + " PeriodicSite: S (16.41, 1.144, 8.998) [0.8079, 0.0563, 0.443]\n", + " PeriodicSite: S (16.28, 1.036, 18.88) [0.8013, 0.05101, 0.9296]\n", + " PeriodicSite: S (16.42, 11.2, 8.887) [0.8086, 0.5512, 0.4375]\n", + " PeriodicSite: S (16.17, 11.61, 19.49) [0.7959, 0.5718, 0.9596]\n", + " PeriodicSite: S (0.8424, 3.852, 1.301) [0.04147, 0.1896, 0.06407]\n", + " PeriodicSite: S (0.828, 3.555, 11.02) [0.04077, 0.175, 0.5425]\n", + " PeriodicSite: S (0.8612, 13.77, 1.143) [0.04239, 0.6778, 0.0563]\n", + " PeriodicSite: S (0.6755, 14.0, 11.29) [0.03325, 0.689, 0.5556]\n", + " PeriodicSite: S (11.29, 4.048, 1.258) [0.5557, 0.1993, 0.06194]\n", + " PeriodicSite: S (11.36, 3.882, 11.18) [0.5592, 0.1911, 0.5503]\n", + " PeriodicSite: S (11.33, 14.39, 1.5) [0.5576, 0.7085, 0.07385]\n", + " PeriodicSite: S (11.38, 14.37, 11.67) [0.5601, 0.7076, 0.5746]\n", + " PeriodicSite: S (2.494, 2.481, 17.97) [0.1228, 0.1222, 0.8845]\n", + " PeriodicSite: S (2.797, 12.58, 8.005) [0.1377, 0.6191, 0.3941]\n", + " PeriodicSite: S (12.81, 2.154, 7.546) [0.6305, 0.1061, 0.3715]\n", + " PeriodicSite: S (8.658, 9.362, 3.873) [0.4262, 0.4609, 0.1907]\n", + " PeriodicSite: S (8.783, 8.92, 14.07) [0.4324, 0.4391, 0.6926]\n", + " PeriodicSite: S (9.294, 19.11, 3.538) [0.4576, 0.9407, 0.1742]\n", + " PeriodicSite: S (9.343, 19.02, 14.19) [0.46, 0.9365, 0.6988]\n", + " PeriodicSite: S (18.73, 8.918, 3.886) [0.9221, 0.439, 0.1913]\n", + " PeriodicSite: S (18.8, 8.945, 13.64) [0.9255, 0.4403, 0.6716]\n", + " PeriodicSite: S (19.07, 18.97, 3.73) [0.9389, 0.9337, 0.1836]\n", + " PeriodicSite: S (19.13, 19.37, 14.16) [0.9417, 0.9537, 0.6972]\n", + " PeriodicSite: S (3.691, 6.298, 6.019) [0.1817, 0.31, 0.2963]\n", + " PeriodicSite: S (3.636, 5.756, 16.44) [0.179, 0.2834, 0.8095]\n", + " PeriodicSite: S (3.839, 16.0, 6.674) [0.189, 0.7878, 0.3286]\n", + " PeriodicSite: S (3.718, 16.13, 17.03) [0.183, 0.7943, 0.8386]\n", + " PeriodicSite: S (13.98, 6.285, 6.1) [0.6882, 0.3094, 0.3003]\n", + " PeriodicSite: S (13.78, 6.299, 16.62) [0.6785, 0.3101, 0.8182]\n", + " PeriodicSite: S (14.08, 16.43, 6.351) [0.6932, 0.809, 0.3127]\n", + " PeriodicSite: S (13.16, 16.58, 16.25) [0.6477, 0.8162, 0.7998]\n", + " PeriodicSite: S (6.753, 6.438, 4.172) [0.3325, 0.3169, 0.2054]\n", + " PeriodicSite: S (6.088, 6.378, 14.46) [0.2997, 0.314, 0.7119]\n", + " PeriodicSite: S (5.975, 16.6, 4.203) [0.2942, 0.8172, 0.2069]\n", + " PeriodicSite: S (5.948, 16.73, 14.65) [0.2928, 0.8236, 0.721]\n", + " PeriodicSite: S (16.01, 6.298, 3.558) [0.7883, 0.3101, 0.1752]\n", + " PeriodicSite: S (16.42, 6.459, 14.2) [0.8085, 0.318, 0.6989]\n", + " PeriodicSite: S (16.35, 16.62, 4.114) [0.8052, 0.8184, 0.2025]\n", + " PeriodicSite: S (16.01, 16.47, 14.37) [0.788, 0.8109, 0.7072]\n", + " PeriodicSite: S (1.086, 8.585, 5.846) [0.05347, 0.4227, 0.2878]\n", + " PeriodicSite: S (1.104, 9.374, 15.81) [0.05433, 0.4615, 0.7782]\n", + " PeriodicSite: S (1.235, 19.44, 6.295) [0.06077, 0.957, 0.3099]\n", + " PeriodicSite: S (1.16, 19.15, 16.73) [0.05712, 0.9426, 0.8235]\n", + " PeriodicSite: S (10.91, 9.243, 6.339) [0.537, 0.455, 0.3121]\n", + " PeriodicSite: S (11.44, 8.952, 16.17) [0.5631, 0.4407, 0.7959]\n", + " PeriodicSite: S (11.36, 19.04, 6.115) [0.5595, 0.9375, 0.301]\n", + " PeriodicSite: S (11.89, 19.44, 16.46) [0.5855, 0.9569, 0.8104]\n", + " PeriodicSite: S (2.543, 17.62, 2.764) [0.1252, 0.8672, 0.1361]\n", + " PeriodicSite: S (2.324, 17.66, 12.8) [0.1144, 0.8693, 0.6301]\n", + " PeriodicSite: S (12.75, 7.622, 12.72) [0.6276, 0.3752, 0.6262]\n", + " PeriodicSite: S (13.14, 17.63, 2.607) [0.6469, 0.8678, 0.1284]\n", + " PeriodicSite: S (4.676, 3.883, 3.775) [0.2302, 0.1912, 0.1858]\n", + " PeriodicSite: S (4.272, 3.661, 14.0) [0.2103, 0.1802, 0.6893]\n", + " PeriodicSite: S (3.893, 13.68, 4.222) [0.1916, 0.6734, 0.2079]\n", + " PeriodicSite: S (3.9, 14.04, 14.19) [0.192, 0.6914, 0.6988]\n", + " PeriodicSite: S (13.75, 3.758, 3.941) [0.6767, 0.185, 0.194]\n", + " PeriodicSite: S (13.92, 4.204, 14.2) [0.6851, 0.2069, 0.699]\n", + " PeriodicSite: S (14.06, 14.03, 4.186) [0.6922, 0.6908, 0.2061]\n", + " PeriodicSite: S (13.83, 13.76, 14.33) [0.681, 0.6774, 0.7054]\n", + " PeriodicSite: S (8.894, 1.129, 5.955) [0.4379, 0.05557, 0.2932]\n", + " PeriodicSite: S (9.238, 1.389, 16.23) [0.4548, 0.0684, 0.7989]\n", + " PeriodicSite: S (9.113, 11.93, 6.246) [0.4486, 0.5871, 0.3075]\n", + " PeriodicSite: S (9.564, 11.64, 16.22) [0.4709, 0.5729, 0.7986]\n", + " PeriodicSite: S (18.89, 0.8725, 6.219) [0.9299, 0.04295, 0.3062]\n", + " PeriodicSite: S (19.27, 1.447, 16.54) [0.9489, 0.07123, 0.8144]\n", + " PeriodicSite: S (18.92, 11.14, 6.469) [0.9315, 0.5484, 0.3185]\n", + " PeriodicSite: S (19.16, 11.45, 15.86) [0.9433, 0.5639, 0.7809]\n", + " PeriodicSite: S (0.9552, 1.093, 3.786) [0.04703, 0.0538, 0.1864]\n", + " PeriodicSite: S (1.557, 0.9785, 14.29) [0.07665, 0.04817, 0.7033]\n", + " PeriodicSite: S (0.8909, 11.39, 4.103) [0.04386, 0.5606, 0.202]\n", + " PeriodicSite: S (0.7595, 11.55, 13.3) [0.03739, 0.5685, 0.6549]\n", + " PeriodicSite: S (11.58, 1.432, 3.894) [0.57, 0.07052, 0.1917]\n", + " PeriodicSite: S (11.7, 1.104, 13.84) [0.5762, 0.05433, 0.6815]\n", + " PeriodicSite: S (11.2, 11.32, 3.423) [0.5513, 0.5572, 0.1685]\n", + " PeriodicSite: S (11.43, 11.08, 13.56) [0.5627, 0.5456, 0.6674]\n", + " PeriodicSite: S (6.295, 4.14, 6.798) [0.3099, 0.2038, 0.3347]\n", + " PeriodicSite: S (6.657, 3.963, 16.46) [0.3277, 0.1951, 0.8105]\n", + " PeriodicSite: S (6.525, 14.01, 6.384) [0.3213, 0.6899, 0.3143]\n", + " PeriodicSite: S (6.329, 14.14, 16.61) [0.3116, 0.6963, 0.8179]\n", + " PeriodicSite: S (16.45, 4.055, 6.184) [0.81, 0.1996, 0.3045]\n", + " PeriodicSite: S (16.39, 3.953, 16.43) [0.8067, 0.1946, 0.8087]\n", + " PeriodicSite: S (16.54, 14.01, 6.355) [0.8143, 0.6898, 0.3129]\n", + " PeriodicSite: S (15.75, 14.63, 16.92) [0.7752, 0.72, 0.8332]\n", + " PeriodicSite: S (7.678, 2.291, 12.54) [0.378, 0.1128, 0.6174]\n", + " PeriodicSite: S (7.581, 13.22, 2.664) [0.3732, 0.6509, 0.1312]\n", + " PeriodicSite: S (17.66, 2.519, 2.517) [0.8692, 0.124, 0.1239]\n", + " PeriodicSite: S (17.7, 12.75, 2.593) [0.8712, 0.6276, 0.1277]\n", + " PeriodicSite: S (17.54, 12.74, 12.62) [0.8633, 0.6271, 0.6212]\n", + " PeriodicSite: S (4.161, 9.007, 9.265) [0.2049, 0.4434, 0.4561]\n", + " PeriodicSite: S (3.778, 8.946, 19.32) [0.186, 0.4404, 0.9511]\n", + " PeriodicSite: S (4.205, 19.1, 9.103) [0.207, 0.9405, 0.4482]\n", + " PeriodicSite: S (3.688, 19.06, 19.58) [0.1816, 0.9384, 0.9638]\n", + " PeriodicSite: S (13.95, 9.063, 8.958) [0.6869, 0.4462, 0.441]\n", + " PeriodicSite: S (13.71, 9.213, 19.0) [0.6749, 0.4536, 0.9354]\n", + " PeriodicSite: S (13.89, 19.29, 8.877) [0.684, 0.9494, 0.437]\n", + " PeriodicSite: S (14.26, 18.7, 18.95) [0.7021, 0.9206, 0.9327]\n", + " PeriodicSite: S (8.756, 6.421, 1.131) [0.4311, 0.3161, 0.05569]\n", + " PeriodicSite: S (8.823, 5.963, 10.98) [0.4343, 0.2936, 0.5404]\n", + " PeriodicSite: S (8.824, 16.78, 1.128) [0.4344, 0.826, 0.05555]\n", + " PeriodicSite: S (8.975, 16.66, 11.57) [0.4418, 0.8202, 0.5694]\n", + " PeriodicSite: S (19.02, 6.382, 1.254) [0.9363, 0.3142, 0.06175]\n", + " PeriodicSite: S (19.04, 6.268, 10.91) [0.9372, 0.3086, 0.5372]\n", + " PeriodicSite: S (19.03, 16.33, 0.9936) [0.9369, 0.804, 0.04892]\n", + " PeriodicSite: S (18.95, 16.62, 11.2) [0.9332, 0.8182, 0.5515]\n", + " PeriodicSite: S (1.281, 5.87, 8.871) [0.06306, 0.289, 0.4367]\n", + " PeriodicSite: S (1.433, 6.512, 19.65) [0.07054, 0.3206, 0.9673]\n", + " PeriodicSite: S (1.187, 16.52, 9.004) [0.05842, 0.8133, 0.4433]\n", + " PeriodicSite: S (1.248, 16.13, 19.1) [0.06142, 0.7942, 0.9405]\n", + " PeriodicSite: S (11.47, 6.462, 9.092) [0.5645, 0.3181, 0.4476]\n", + " PeriodicSite: S (11.33, 6.693, 19.37) [0.5578, 0.3295, 0.9534]\n", + " PeriodicSite: S (11.19, 16.62, 9.031) [0.551, 0.8183, 0.4446]\n", + " PeriodicSite: S (11.36, 16.44, 19.3) [0.5593, 0.8096, 0.9503]\n", + " PeriodicSite: S (6.107, 9.195, 1.151) [0.3007, 0.4527, 0.05666]\n", + " PeriodicSite: S (6.495, 8.629, 11.51) [0.3198, 0.4248, 0.5667]\n", + " PeriodicSite: S (6.196, 19.16, 1.548) [0.305, 0.9432, 0.0762]\n", + " PeriodicSite: S (6.769, 19.01, 11.38) [0.3332, 0.9358, 0.5605]\n", + " PeriodicSite: S (16.17, 8.819, 1.008) [0.7959, 0.4342, 0.04965]\n", + " PeriodicSite: S (16.39, 8.833, 11.31) [0.8069, 0.4349, 0.5566]\n", + " PeriodicSite: S (16.59, 19.22, 1.071) [0.8168, 0.9464, 0.05275]\n", + " PeriodicSite: S (16.04, 19.02, 11.5) [0.7899, 0.9365, 0.5661]\n", + " PeriodicSite: S (7.348, 7.666, 17.68) [0.3617, 0.3774, 0.8703]\n", + " PeriodicSite: S (7.577, 17.73, 7.779) [0.373, 0.8731, 0.383]\n", + " PeriodicSite: S (17.92, 7.71, 7.54) [0.8824, 0.3796, 0.3712]\n", + " PeriodicSite: S (17.66, 17.88, 7.452) [0.8693, 0.8802, 0.3669]\n", + " PeriodicSite: P (4.96, 20.28, 0.3438) [0.2442, 0.9984, 0.01693]\n", + " PeriodicSite: P (5.401, 20.13, 10.31) [0.2659, 0.9912, 0.5076]\n", + " PeriodicSite: P (4.652, 10.28, 0.2163) [0.229, 0.5063, 0.01065]\n", + " PeriodicSite: P (5.392, 10.1, 10.56) [0.2654, 0.4972, 0.5199]\n", + " PeriodicSite: P (15.14, 20.08, 20.15) [0.7452, 0.9885, 0.9919]\n", + " PeriodicSite: P (15.17, 20.22, 10.15) [0.7468, 0.9955, 0.4999]\n", + " PeriodicSite: P (14.98, 10.16, 0.06412) [0.7373, 0.5001, 0.003162]\n", + " PeriodicSite: P (15.22, 10.06, 10.1) [0.7492, 0.4952, 0.4975]\n", + " PeriodicSite: P (5.391, 5.26, 5.214) [0.2654, 0.259, 0.2567]\n", + " PeriodicSite: P (5.132, 4.78, 15.38) [0.2526, 0.2353, 0.757]\n", + " PeriodicSite: P (4.979, 15.04, 5.311) [0.2451, 0.7405, 0.2615]\n", + " PeriodicSite: P (4.854, 15.23, 15.59) [0.239, 0.7498, 0.7676]\n", + " PeriodicSite: P (15.18, 4.999, 4.876) [0.7471, 0.2461, 0.24]\n", + " PeriodicSite: P (15.17, 5.305, 15.39) [0.747, 0.2612, 0.7578]\n", + " PeriodicSite: P (15.3, 15.24, 5.146) [0.7531, 0.7502, 0.2533]\n", + " PeriodicSite: P (14.56, 15.34, 15.47) [0.7169, 0.7551, 0.7614]\n", + " PeriodicSite: P (20.16, 20.15, 4.999) [0.9924, 0.9921, 0.2461]\n", + " PeriodicSite: P (0.1234, 0.08103, 15.37) [0.006079, 0.00399, 0.7566]\n", + " PeriodicSite: P (20.01, 10.11, 5.127) [0.9853, 0.4977, 0.2524]\n", + " PeriodicSite: P (20.15, 10.27, 14.63) [0.9918, 0.5057, 0.7202]\n", + " PeriodicSite: P (10.4, 20.29, 4.826) [0.5122, 0.9988, 0.2376]\n", + " PeriodicSite: P (10.56, 0.0796, 15.21) [0.52, 0.003915, 0.7487]\n", + " PeriodicSite: P (10.11, 10.48, 5.034) [0.4979, 0.5159, 0.2478]\n", + " PeriodicSite: P (10.27, 10.14, 14.95) [0.5058, 0.499, 0.736]\n", + " PeriodicSite: P (20.28, 5.244, 0.1684) [0.9983, 0.2582, 0.008298]\n", + " PeriodicSite: P (20.08, 4.874, 9.862) [0.9887, 0.2399, 0.4855]\n", + " PeriodicSite: P (20.25, 15.03, 20.12) [0.9971, 0.7401, 0.9904]\n", + " PeriodicSite: P (20.13, 15.33, 10.0) [0.9909, 0.7547, 0.4925]\n", + " PeriodicSite: P (10.14, 5.283, 20.25) [0.4991, 0.2601, 0.9969]\n", + " PeriodicSite: P (10.33, 4.993, 9.888) [0.5087, 0.2458, 0.4868]\n", + " PeriodicSite: P (10.1, 15.48, 0.2388) [0.497, 0.7622, 0.01176]\n", + " PeriodicSite: P (10.23, 15.48, 10.43) [0.5037, 0.7619, 0.5136],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.26, 4.809, 3.539) [0.1113, 0.2367, 0.1742]\n", + " PeriodicSite: Li (2.066, 3.048, 15.86) [0.1017, 0.15, 0.7808]\n", + " PeriodicSite: Li (0.3187, 12.15, 8.176) [0.01568, 0.5984, 0.4025]\n", + " PeriodicSite: Li (0.4526, 14.16, 17.21) [0.02228, 0.6971, 0.8473]\n", + " PeriodicSite: Li (14.55, 0.465, 7.114) [0.7163, 0.02289, 0.3502]\n", + " PeriodicSite: Li (11.76, 2.972, 15.46) [0.5792, 0.1463, 0.7611]\n", + " PeriodicSite: Li (16.82, 12.27, 5.08) [0.8283, 0.6038, 0.2501]\n", + " PeriodicSite: Li (17.35, 8.37, 15.35) [0.854, 0.4121, 0.7559]\n", + " PeriodicSite: Li (4.397, 4.516, 8.188) [0.2164, 0.2223, 0.4031]\n", + " PeriodicSite: Li (2.01, 20.29, 18.71) [0.09897, 0.9991, 0.9213]\n", + " PeriodicSite: Li (5.224, 8.127, 6.928) [0.2572, 0.4001, 0.3411]\n", + " PeriodicSite: Li (7.568, 9.852, 16.22) [0.3726, 0.485, 0.7988]\n", + " PeriodicSite: Li (11.83, 4.721, 7.372) [0.5822, 0.2324, 0.363]\n", + " PeriodicSite: Li (13.72, 3.379, 1.019) [0.6753, 0.1664, 0.05019]\n", + " PeriodicSite: Li (12.22, 9.874, 11.89) [0.6014, 0.4861, 0.5851]\n", + " PeriodicSite: Li (9.618, 18.49, 18.79) [0.4735, 0.9105, 0.9249]\n", + " PeriodicSite: Li (5.221, 1.838, 6.618) [0.2571, 0.09047, 0.3258]\n", + " PeriodicSite: Li (3.399, 0.5274, 16.35) [0.1674, 0.02596, 0.8051]\n", + " PeriodicSite: Li (4.819, 10.99, 7.708) [0.2372, 0.5409, 0.3795]\n", + " PeriodicSite: Li (5.891, 12.21, 15.34) [0.29, 0.6013, 0.755]\n", + " PeriodicSite: Li (12.27, 0.4602, 8.844) [0.6041, 0.02265, 0.4354]\n", + " PeriodicSite: Li (10.83, 1.22, 18.04) [0.533, 0.06007, 0.8881]\n", + " PeriodicSite: Li (14.76, 14.88, 7.932) [0.7267, 0.7324, 0.3905]\n", + " PeriodicSite: Li (10.93, 10.93, 18.19) [0.5381, 0.5381, 0.8958]\n", + " PeriodicSite: Li (0.9391, 3.815, 7.066) [0.04623, 0.1878, 0.3478]\n", + " PeriodicSite: Li (0.4051, 2.288, 18.61) [0.01995, 0.1126, 0.9163]\n", + " PeriodicSite: Li (1.579, 14.95, 7.355) [0.07772, 0.736, 0.3621]\n", + " PeriodicSite: Li (2.905, 13.13, 20.15) [0.143, 0.6463, 0.9921]\n", + " PeriodicSite: Li (13.12, 1.677, 5.208) [0.6459, 0.08258, 0.2564]\n", + " PeriodicSite: Li (13.64, 20.09, 16.39) [0.6717, 0.9892, 0.8068]\n", + " PeriodicSite: Li (10.74, 11.39, 7.803) [0.5285, 0.5609, 0.3842]\n", + " PeriodicSite: Li (14.73, 16.56, 18.5) [0.725, 0.8152, 0.911]\n", + " PeriodicSite: Li (7.231, 0.1452, 4.561) [0.356, 0.007146, 0.2245]\n", + " PeriodicSite: Li (1.837, 20.22, 2.382) [0.09045, 0.9956, 0.1173]\n", + " PeriodicSite: Li (3.03, 13.79, 10.61) [0.1492, 0.6791, 0.5221]\n", + " PeriodicSite: Li (2.281, 17.55, 15.03) [0.1123, 0.8642, 0.7402]\n", + " PeriodicSite: Li (15.16, 3.52, 8.103) [0.7465, 0.1733, 0.3989]\n", + " PeriodicSite: Li (15.28, 2.878, 18.53) [0.7525, 0.1417, 0.9125]\n", + " PeriodicSite: Li (18.67, 15.68, 6.593) [0.9192, 0.7721, 0.3246]\n", + " PeriodicSite: Li (11.6, 12.27, 0.2478) [0.571, 0.6039, 0.0122]\n", + " PeriodicSite: Li (5.55, 1.816, 3.396) [0.2732, 0.08942, 0.1672]\n", + " PeriodicSite: Li (5.101, 1.975, 18.02) [0.2511, 0.09724, 0.887]\n", + " PeriodicSite: Li (2.735, 12.11, 6.16) [0.1347, 0.5961, 0.3033]\n", + " PeriodicSite: Li (19.91, 13.05, 3.232) [0.9803, 0.6424, 0.1591]\n", + " PeriodicSite: Li (10.47, 2.175, 7.251) [0.5154, 0.1071, 0.357]\n", + " PeriodicSite: Li (17.16, 20.23, 16.62) [0.8448, 0.996, 0.8182]\n", + " PeriodicSite: Li (13.74, 11.33, 3.957) [0.6764, 0.5578, 0.1948]\n", + " PeriodicSite: Li (15.25, 8.626, 16.8) [0.7507, 0.4247, 0.8268]\n", + " PeriodicSite: Li (4.431, 11.06, 17.48) [0.2181, 0.5444, 0.8607]\n", + " PeriodicSite: Li (2.256, 10.82, 10.09) [0.1111, 0.5325, 0.4966]\n", + " PeriodicSite: Li (1.469, 17.9, 0.1637) [0.07231, 0.8812, 0.008063]\n", + " PeriodicSite: Li (2.155, 0.5306, 9.896) [0.1061, 0.02612, 0.4872]\n", + " PeriodicSite: Li (12.17, 5.472, 3.165) [0.5991, 0.2694, 0.1558]\n", + " PeriodicSite: Li (13.07, 9.357, 14.47) [0.6435, 0.4607, 0.7123]\n", + " PeriodicSite: Li (11.85, 14.65, 7.255) [0.5834, 0.7212, 0.3572]\n", + " PeriodicSite: Li (13.4, 20.28, 13.11) [0.6595, 0.9986, 0.6453]\n", + " PeriodicSite: Li (3.569, 6.499, 0.616) [0.1757, 0.32, 0.03033]\n", + " PeriodicSite: Li (2.959, 5.261, 12.0) [0.1457, 0.259, 0.5906]\n", + " PeriodicSite: Li (7.007, 16.0, 19.35) [0.3449, 0.7876, 0.9526]\n", + " PeriodicSite: Li (5.102, 18.42, 16.97) [0.2512, 0.9069, 0.8353]\n", + " PeriodicSite: Li (14.9, 7.105, 1.765) [0.7336, 0.3498, 0.08689]\n", + " PeriodicSite: Li (10.5, 7.648, 12.31) [0.5168, 0.3765, 0.606]\n", + " PeriodicSite: Li (12.97, 18.37, 5.04) [0.6383, 0.9045, 0.2482]\n", + " PeriodicSite: Li (11.12, 17.43, 14.7) [0.5474, 0.8582, 0.7238]\n", + " PeriodicSite: Li (1.64, 8.748, 0.2415) [0.08072, 0.4307, 0.01189]\n", + " PeriodicSite: Li (4.754, 7.253, 10.61) [0.234, 0.3571, 0.5224]\n", + " PeriodicSite: Li (4.206, 17.12, 0.8917) [0.2071, 0.8427, 0.0439]\n", + " PeriodicSite: Li (2.933, 16.64, 11.01) [0.1444, 0.8193, 0.5418]\n", + " PeriodicSite: Li (12.28, 8.714, 0.8643) [0.6045, 0.429, 0.04255]\n", + " PeriodicSite: Li (12.59, 5.944, 14.17) [0.62, 0.2926, 0.6978]\n", + " PeriodicSite: Li (12.46, 15.68, 3.394) [0.6134, 0.7719, 0.1671]\n", + " PeriodicSite: Li (13.59, 15.69, 12.32) [0.6689, 0.7725, 0.6063]\n", + " PeriodicSite: Li (0.3488, 7.397, 3.613) [0.01717, 0.3642, 0.1779]\n", + " PeriodicSite: Li (17.49, 6.021, 9.122) [0.8611, 0.2964, 0.4491]\n", + " PeriodicSite: Li (2.309, 17.07, 4.832) [0.1137, 0.8405, 0.2379]\n", + " PeriodicSite: Li (0.252, 18.63, 11.88) [0.0124, 0.917, 0.5846]\n", + " PeriodicSite: Li (9.043, 6.798, 3.455) [0.4452, 0.3347, 0.1701]\n", + " PeriodicSite: Li (15.14, 8.813, 13.03) [0.7451, 0.4338, 0.6417]\n", + " PeriodicSite: Li (12.81, 16.05, 0.484) [0.6306, 0.7902, 0.02383]\n", + " PeriodicSite: Li (11.02, 14.8, 17.75) [0.5424, 0.7288, 0.8736]\n", + " PeriodicSite: Li (5.646, 8.828, 3.809) [0.2779, 0.4346, 0.1875]\n", + " PeriodicSite: Li (19.26, 12.5, 10.93) [0.9481, 0.6155, 0.538]\n", + " PeriodicSite: Li (20.25, 17.03, 2.964) [0.9969, 0.8385, 0.1459]\n", + " PeriodicSite: Li (3.134, 19.77, 12.97) [0.1543, 0.9731, 0.6384]\n", + " PeriodicSite: Li (17.16, 10.26, 3.035) [0.8447, 0.5052, 0.1494]\n", + " PeriodicSite: Li (13.1, 6.28, 10.91) [0.6448, 0.3092, 0.5369]\n", + " PeriodicSite: Li (12.21, 19.32, 0.4576) [0.6009, 0.9513, 0.02253]\n", + " PeriodicSite: Li (13.75, 17.41, 10.47) [0.6769, 0.8571, 0.5155]\n", + " PeriodicSite: Li (3.091, 3.021, 0.08912) [0.1522, 0.1487, 0.004389]\n", + " PeriodicSite: Li (4.321, 9.141, 13.42) [0.2127, 0.45, 0.6605]\n", + " PeriodicSite: Li (4.259, 18.98, 3.213) [0.2097, 0.9344, 0.1582]\n", + " PeriodicSite: Li (0.3994, 16.16, 13.33) [0.01966, 0.7956, 0.6564]\n", + " PeriodicSite: Li (14.08, 8.155, 4.882) [0.6933, 0.4015, 0.2403]\n", + " PeriodicSite: Li (16.2, 6.448, 11.74) [0.7977, 0.3175, 0.5778]\n", + " PeriodicSite: Li (15.09, 17.15, 1.98) [0.7427, 0.8441, 0.09748]\n", + " PeriodicSite: Li (17.88, 4.319, 14.66) [0.88, 0.2126, 0.7217]\n", + " PeriodicSite: Li (9.593, 2.946, 2.844) [0.4723, 0.145, 0.14]\n", + " PeriodicSite: Li (9.873, 2.487, 12.31) [0.4861, 0.1224, 0.6059]\n", + " PeriodicSite: Li (6.389, 12.13, 4.803) [0.3145, 0.597, 0.2364]\n", + " PeriodicSite: Li (2.943, 11.38, 14.94) [0.1449, 0.5603, 0.7356]\n", + " PeriodicSite: Li (16.8, 1.883, 4.85) [0.8272, 0.0927, 0.2388]\n", + " PeriodicSite: Li (13.08, 3.238, 10.07) [0.6442, 0.1594, 0.4958]\n", + " PeriodicSite: Li (18.55, 12.1, 0.4805) [0.9132, 0.5959, 0.02366]\n", + " PeriodicSite: Li (17.39, 10.54, 12.78) [0.856, 0.5189, 0.6291]\n", + " PeriodicSite: Li (5.914, 18.3, 6.034) [0.2911, 0.901, 0.2971]\n", + " PeriodicSite: Li (8.335, 3.441, 15.02) [0.4103, 0.1694, 0.7395]\n", + " PeriodicSite: Li (6.832, 13.17, 0.1904) [0.3364, 0.6484, 0.009375]\n", + " PeriodicSite: Li (9.39, 14.6, 12.93) [0.4623, 0.7189, 0.6368]\n", + " PeriodicSite: Li (13.23, 20.02, 3.073) [0.6511, 0.9855, 0.1513]\n", + " PeriodicSite: Li (19.57, 1.967, 11.66) [0.9635, 0.09682, 0.5743]\n", + " PeriodicSite: Li (17.35, 14.7, 2.392) [0.8539, 0.7237, 0.1178]\n", + " PeriodicSite: Li (16.82, 15.13, 12.26) [0.828, 0.7447, 0.6035]\n", + " PeriodicSite: Li (8.579, 5.954, 6.009) [0.4224, 0.2931, 0.2958]\n", + " PeriodicSite: Li (7.304, 0.1318, 13.51) [0.3596, 0.006487, 0.6652]\n", + " PeriodicSite: Li (9.948, 13.24, 3.5) [0.4898, 0.6518, 0.1723]\n", + " PeriodicSite: Li (5.536, 13.04, 12.1) [0.2726, 0.6419, 0.5956]\n", + " PeriodicSite: Li (19.51, 3.578, 3.146) [0.9606, 0.1761, 0.1549]\n", + " PeriodicSite: Li (20.28, 7.266, 12.86) [0.9982, 0.3577, 0.6333]\n", + " PeriodicSite: Li (15.4, 13.25, 2.003) [0.758, 0.6524, 0.0986]\n", + " PeriodicSite: Li (15.35, 12.31, 13.57) [0.7558, 0.6058, 0.668]\n", + " PeriodicSite: Li (2.804, 0.7875, 5.69) [0.1381, 0.03877, 0.2801]\n", + " PeriodicSite: Li (5.576, 1.679, 14.11) [0.2745, 0.08265, 0.6946]\n", + " PeriodicSite: Li (4.802, 12.77, 2.08) [0.2364, 0.6288, 0.1024]\n", + " PeriodicSite: Li (8.341, 7.028, 15.43) [0.4106, 0.346, 0.7599]\n", + " PeriodicSite: Li (17.36, 4.856, 1.848) [0.8547, 0.2391, 0.09099]\n", + " PeriodicSite: Li (16.97, 0.2299, 13.38) [0.8352, 0.01131, 0.6588]\n", + " PeriodicSite: Li (14.82, 13.26, 19.42) [0.7297, 0.653, 0.956]\n", + " PeriodicSite: Li (16.04, 12.91, 10.38) [0.7897, 0.6354, 0.5109]\n", + " PeriodicSite: Li (7.161, 3.594, 20.29) [0.3525, 0.1769, 0.9987]\n", + " PeriodicSite: Li (5.941, 3.019, 10.63) [0.2925, 0.1486, 0.5235]\n", + " PeriodicSite: Li (8.173, 10.79, 1.671) [0.4024, 0.5312, 0.08229]\n", + " PeriodicSite: Li (8.402, 10.11, 12.31) [0.4136, 0.4975, 0.6058]\n", + " PeriodicSite: Li (16.12, 20.23, 2.572) [0.7935, 0.996, 0.1267]\n", + " PeriodicSite: Li (16.18, 3.086, 10.85) [0.7966, 0.1519, 0.5344]\n", + " PeriodicSite: Li (0.4377, 10.83, 17.94) [0.02155, 0.5331, 0.8834]\n", + " PeriodicSite: Li (19.06, 13.53, 13.65) [0.9381, 0.666, 0.6721]\n", + " PeriodicSite: Li (7.915, 19.74, 0.7483) [0.3897, 0.972, 0.03684]\n", + " PeriodicSite: Li (7.942, 1.147, 10.52) [0.391, 0.05646, 0.5181]\n", + " PeriodicSite: Li (7.699, 15.12, 4.211) [0.379, 0.7445, 0.2073]\n", + " PeriodicSite: Li (4.544, 15.86, 13.02) [0.2237, 0.7809, 0.6412]\n", + " PeriodicSite: Li (16.46, 2.398, 0.6897) [0.8103, 0.1181, 0.03396]\n", + " PeriodicSite: Li (1.824, 6.975, 14.45) [0.08979, 0.3434, 0.7112]\n", + " PeriodicSite: Li (4.679, 14.01, 8.274) [0.2303, 0.6895, 0.4073]\n", + " PeriodicSite: Li (12.89, 13.75, 10.13) [0.6346, 0.6768, 0.4989]\n", + " PeriodicSite: Li (13.86, 10.74, 6.729) [0.6823, 0.5285, 0.3313]\n", + " PeriodicSite: Li (5.326, 7.991, 16.49) [0.2622, 0.3934, 0.812]\n", + " PeriodicSite: Li (7.638, 13.95, 10.89) [0.376, 0.6867, 0.5362]\n", + " PeriodicSite: Li (4.777, 14.23, 18.34) [0.2352, 0.7005, 0.9028]\n", + " PeriodicSite: Li (16.94, 9.759, 7.159) [0.834, 0.4805, 0.3524]\n", + " PeriodicSite: Li (3.259, 4.829, 18.34) [0.1604, 0.2377, 0.903]\n", + " PeriodicSite: Li (17.59, 19.09, 5.404) [0.8659, 0.94, 0.2661]\n", + " PeriodicSite: Li (19.57, 17.91, 18.26) [0.9632, 0.8817, 0.8988]\n", + " PeriodicSite: Li (7.59, 9.774, 6.207) [0.3737, 0.4812, 0.3056]\n", + " PeriodicSite: Li (10.49, 6.453, 17.04) [0.5165, 0.3177, 0.8391]\n", + " PeriodicSite: Li (8.554, 20.11, 7.575) [0.4211, 0.9898, 0.3729]\n", + " PeriodicSite: Li (8.052, 16.17, 16.42) [0.3964, 0.796, 0.8084]\n", + " PeriodicSite: Li (18.33, 8.663, 10.13) [0.9023, 0.4265, 0.4988]\n", + " PeriodicSite: Li (16.71, 5.716, 18.65) [0.8228, 0.2814, 0.9183]\n", + " PeriodicSite: Li (18.59, 0.1417, 8.25) [0.9153, 0.006969, 0.4062]\n", + " PeriodicSite: Li (17.47, 15.99, 16.11) [0.8602, 0.7874, 0.7932]\n", + " PeriodicSite: Li (7.19, 5.568, 8.868) [0.354, 0.2741, 0.4366]\n", + " PeriodicSite: Li (6.57, 5.994, 18.37) [0.3234, 0.2951, 0.9046]\n", + " PeriodicSite: Li (9.13, 17.86, 9.448) [0.4495, 0.8792, 0.4651]\n", + " PeriodicSite: Li (11.64, 12.95, 15.35) [0.5733, 0.6377, 0.7556]\n", + " PeriodicSite: Li (19.78, 7.622, 7.688) [0.9736, 0.3752, 0.3785]\n", + " PeriodicSite: Li (20.03, 6.311, 17.43) [0.9863, 0.3107, 0.858]\n", + " PeriodicSite: Li (16.91, 17.45, 9.804) [0.8326, 0.859, 0.4827]\n", + " PeriodicSite: Li (17.21, 16.73, 19.75) [0.847, 0.8234, 0.9724]\n", + " PeriodicSite: Li (9.446, 7.81, 9.476) [0.465, 0.3845, 0.4665]\n", + " PeriodicSite: Li (5.638, 4.929, 2.161) [0.2776, 0.2426, 0.1064]\n", + " PeriodicSite: Li (6.037, 17.56, 9.672) [0.2972, 0.8647, 0.4761]\n", + " PeriodicSite: Li (6.556, 15.06, 1.799) [0.3228, 0.7415, 0.08859]\n", + " PeriodicSite: Li (15.09, 6.852, 8.143) [0.743, 0.3373, 0.4009]\n", + " PeriodicSite: Li (18.31, 8.652, 20.1) [0.9014, 0.4259, 0.9895]\n", + " PeriodicSite: Li (15.75, 18.12, 6.996) [0.7754, 0.8923, 0.3444]\n", + " PeriodicSite: Li (14.53, 17.92, 14.48) [0.7151, 0.8823, 0.7129]\n", + " PeriodicSite: Li (6.344, 4.647, 12.15) [0.3123, 0.2288, 0.5982]\n", + " PeriodicSite: Li (6.376, 8.573, 19.34) [0.3139, 0.422, 0.9522]\n", + " PeriodicSite: Li (9.157, 17.58, 5.987) [0.4508, 0.8657, 0.2947]\n", + " PeriodicSite: Li (10.24, 17.31, 2.868) [0.5043, 0.8522, 0.1412]\n", + " PeriodicSite: Li (17.12, 8.109, 5.031) [0.8429, 0.3992, 0.2477]\n", + " PeriodicSite: Li (13.5, 5.662, 18.72) [0.6644, 0.2787, 0.9214]\n", + " PeriodicSite: Li (20.19, 18.01, 7.757) [0.9942, 0.8866, 0.3819]\n", + " PeriodicSite: Li (19.08, 0.9203, 2.119) [0.9392, 0.0453, 0.1043]\n", + " PeriodicSite: Li (2.837, 9.169, 4.782) [0.1396, 0.4514, 0.2354]\n", + " PeriodicSite: Li (9.079, 7.808, 19.73) [0.447, 0.3844, 0.9715]\n", + " PeriodicSite: Li (8.024, 15.47, 7.744) [0.395, 0.7615, 0.3813]\n", + " PeriodicSite: Li (7.682, 20.11, 16.35) [0.3782, 0.9901, 0.8048]\n", + " PeriodicSite: Li (18.28, 5.064, 6.705) [0.8999, 0.2493, 0.3301]\n", + " PeriodicSite: Li (16.41, 11.65, 16.33) [0.808, 0.5734, 0.8039]\n", + " PeriodicSite: Li (2.798, 15.23, 2.463) [0.1377, 0.7498, 0.1212]\n", + " PeriodicSite: Li (14.95, 2.062, 15.19) [0.7362, 0.1015, 0.7477]\n", + " PeriodicSite: Cl (7.798, 12.47, 12.78) [0.3839, 0.6138, 0.6291]\n", + " PeriodicSite: Cl (2.399, 12.5, 17.81) [0.1181, 0.6155, 0.8766]\n", + " PeriodicSite: Cl (12.94, 17.87, 12.89) [0.6368, 0.8799, 0.6348]\n", + " PeriodicSite: Cl (17.09, 7.74, 17.79) [0.8412, 0.381, 0.8757]\n", + " PeriodicSite: Cl (7.689, 2.138, 2.033) [0.3785, 0.1053, 0.1001]\n", + " PeriodicSite: Cl (7.56, 7.467, 7.7) [0.3722, 0.3676, 0.3791]\n", + " PeriodicSite: Cl (12.81, 12.85, 8.093) [0.6306, 0.6324, 0.3984]\n", + " PeriodicSite: Cl (2.759, 7.457, 2.582) [0.1358, 0.3671, 0.1271]\n", + " PeriodicSite: Cl (2.501, 7.502, 12.41) [0.1231, 0.3694, 0.6111]\n", + " PeriodicSite: Cl (12.52, 12.83, 18.06) [0.6162, 0.6314, 0.889]\n", + " PeriodicSite: Cl (17.32, 17.78, 17.73) [0.8527, 0.8752, 0.873]\n", + " PeriodicSite: Cl (3.017, 2.493, 7.395) [0.1485, 0.1228, 0.3641]\n", + " PeriodicSite: Cl (13.35, 2.068, 17.19) [0.6574, 0.1018, 0.8461]\n", + " PeriodicSite: Cl (12.92, 7.756, 2.976) [0.6358, 0.3819, 0.1465]\n", + " PeriodicSite: Cl (17.44, 2.536, 12.93) [0.8586, 0.1249, 0.6363]\n", + " PeriodicSite: Cl (7.814, 17.68, 17.93) [0.3847, 0.8704, 0.8829]\n", + " PeriodicSite: Cl (0.2185, 20.16, 0.0349) [0.01075, 0.9927, 0.00172]\n", + " PeriodicSite: Cl (0.1182, 20.27, 10.28) [0.005811, 0.9978, 0.5061]\n", + " PeriodicSite: Cl (19.92, 10.39, 20.04) [0.9806, 0.5115, 0.9864]\n", + " PeriodicSite: Cl (20.12, 10.28, 9.794) [0.9904, 0.5059, 0.4822]\n", + " PeriodicSite: Cl (10.14, 20.09, 20.24) [0.4994, 0.9889, 0.9965]\n", + " PeriodicSite: Cl (9.934, 0.07645, 9.717) [0.4891, 0.00376, 0.4784]\n", + " PeriodicSite: Cl (10.12, 10.26, 20.26) [0.4982, 0.505, 0.9974]\n", + " PeriodicSite: Cl (9.828, 9.894, 10.63) [0.4838, 0.4871, 0.5236]\n", + " PeriodicSite: Cl (0.1571, 4.897, 4.814) [0.007734, 0.2411, 0.237]\n", + " PeriodicSite: Cl (20.22, 5.539, 15.17) [0.9956, 0.2727, 0.7467]\n", + " PeriodicSite: Cl (0.2666, 15.49, 5.035) [0.01312, 0.7624, 0.2479]\n", + " PeriodicSite: Cl (20.18, 15.41, 15.3) [0.9933, 0.7589, 0.7535]\n", + " PeriodicSite: Cl (10.45, 5.381, 4.657) [0.5144, 0.2649, 0.2293]\n", + " PeriodicSite: Cl (10.24, 5.154, 14.93) [0.5041, 0.2537, 0.7353]\n", + " PeriodicSite: Cl (10.35, 15.66, 4.757) [0.5098, 0.771, 0.2342]\n", + " PeriodicSite: Cl (9.783, 15.0, 15.22) [0.4816, 0.7385, 0.7494]\n", + " PeriodicSite: S (5.138, 0.1171, 5.007) [0.2529, 0.005762, 0.2465]\n", + " PeriodicSite: S (5.526, 20.2, 15.51) [0.2721, 0.9947, 0.7637]\n", + " PeriodicSite: S (5.058, 10.11, 5.49) [0.249, 0.4978, 0.2703]\n", + " PeriodicSite: S (5.139, 10.07, 15.56) [0.253, 0.4956, 0.7658]\n", + " PeriodicSite: S (15.11, 20.13, 4.981) [0.7438, 0.991, 0.2452]\n", + " PeriodicSite: S (15.35, 20.07, 14.91) [0.7559, 0.9879, 0.734]\n", + " PeriodicSite: S (15.55, 10.11, 5.193) [0.7657, 0.4976, 0.2557]\n", + " PeriodicSite: S (15.31, 10.2, 14.86) [0.7539, 0.5022, 0.7314]\n", + " PeriodicSite: S (5.166, 4.853, 20.11) [0.2543, 0.2389, 0.9899]\n", + " PeriodicSite: S (5.208, 5.178, 10.22) [0.2564, 0.2549, 0.5031]\n", + " PeriodicSite: S (4.89, 14.67, 0.354) [0.2407, 0.7223, 0.01743]\n", + " PeriodicSite: S (4.939, 15.18, 10.79) [0.2431, 0.7472, 0.5314]\n", + " PeriodicSite: S (15.3, 4.52, 20.19) [0.7531, 0.2225, 0.9942]\n", + " PeriodicSite: S (15.19, 5.226, 9.783) [0.748, 0.2573, 0.4816]\n", + " PeriodicSite: S (15.47, 15.2, 0.4366) [0.7618, 0.7485, 0.0215]\n", + " PeriodicSite: S (14.74, 15.41, 10.29) [0.7257, 0.7584, 0.5068]\n", + " PeriodicSite: S (9.282, 3.91, 8.58) [0.457, 0.1925, 0.4224]\n", + " PeriodicSite: S (9.499, 3.965, 18.59) [0.4677, 0.1952, 0.9151]\n", + " PeriodicSite: S (9.478, 13.93, 9.047) [0.4666, 0.6856, 0.4454]\n", + " PeriodicSite: S (8.766, 14.27, 19.25) [0.4316, 0.7026, 0.9478]\n", + " PeriodicSite: S (19.21, 4.026, 8.604) [0.9457, 0.1982, 0.4236]\n", + " PeriodicSite: S (19.16, 4.272, 18.76) [0.9434, 0.2103, 0.9235]\n", + " PeriodicSite: S (19.09, 14.06, 9.002) [0.9398, 0.6923, 0.4432]\n", + " PeriodicSite: S (19.17, 13.78, 19.3) [0.9437, 0.6785, 0.9501]\n", + " PeriodicSite: S (3.807, 0.9229, 1.44) [0.1874, 0.04543, 0.07089]\n", + " PeriodicSite: S (4.033, 1.362, 11.46) [0.1986, 0.06705, 0.5641]\n", + " PeriodicSite: S (3.229, 10.94, 1.534) [0.1589, 0.5386, 0.07554]\n", + " PeriodicSite: S (4.119, 11.38, 11.79) [0.2028, 0.5601, 0.5806]\n", + " PeriodicSite: S (14.42, 0.8826, 1.276) [0.7098, 0.04344, 0.06281]\n", + " PeriodicSite: S (13.91, 1.189, 11.12) [0.685, 0.05855, 0.5477]\n", + " PeriodicSite: S (13.94, 11.3, 1.434) [0.6865, 0.5564, 0.07063]\n", + " PeriodicSite: S (13.95, 11.26, 11.34) [0.6868, 0.5542, 0.5584]\n", + " PeriodicSite: S (6.299, 1.381, 8.929) [0.3101, 0.06801, 0.4396]\n", + " PeriodicSite: S (6.512, 0.6228, 19.43) [0.3206, 0.03066, 0.9568]\n", + " PeriodicSite: S (6.629, 11.15, 9.278) [0.3263, 0.5489, 0.4568]\n", + " PeriodicSite: S (5.776, 11.26, 19.42) [0.2844, 0.5543, 0.9561]\n", + " PeriodicSite: S (16.43, 1.419, 8.923) [0.809, 0.06985, 0.4393]\n", + " PeriodicSite: S (16.49, 0.8762, 18.86) [0.8117, 0.04313, 0.9285]\n", + " PeriodicSite: S (16.21, 11.18, 8.837) [0.7981, 0.5505, 0.4351]\n", + " PeriodicSite: S (16.09, 11.31, 19.04) [0.7922, 0.557, 0.9374]\n", + " PeriodicSite: S (1.09, 4.119, 1.033) [0.05368, 0.2028, 0.05085]\n", + " PeriodicSite: S (0.9747, 3.828, 11.42) [0.04798, 0.1885, 0.5624]\n", + " PeriodicSite: S (1.136, 14.13, 1.445) [0.05593, 0.6958, 0.07115]\n", + " PeriodicSite: S (0.8766, 14.33, 11.52) [0.04315, 0.7054, 0.5669]\n", + " PeriodicSite: S (11.14, 4.039, 1.375) [0.5483, 0.1988, 0.06772]\n", + " PeriodicSite: S (11.31, 4.131, 11.36) [0.5567, 0.2034, 0.5593]\n", + " PeriodicSite: S (11.02, 14.48, 1.591) [0.5424, 0.7128, 0.07833]\n", + " PeriodicSite: S (11.36, 14.63, 11.77) [0.5593, 0.7205, 0.5792]\n", + " PeriodicSite: S (2.796, 2.188, 17.99) [0.1376, 0.1077, 0.8859]\n", + " PeriodicSite: S (2.621, 12.86, 8.335) [0.129, 0.6331, 0.4103]\n", + " PeriodicSite: S (13.1, 2.563, 7.504) [0.6449, 0.1262, 0.3695]\n", + " PeriodicSite: S (8.856, 9.249, 4.302) [0.436, 0.4554, 0.2118]\n", + " PeriodicSite: S (8.592, 9.005, 14.32) [0.423, 0.4433, 0.7049]\n", + " PeriodicSite: S (8.958, 19.02, 3.92) [0.441, 0.9366, 0.193]\n", + " PeriodicSite: S (9.082, 19.03, 14.28) [0.4471, 0.9371, 0.7032]\n", + " PeriodicSite: S (19.29, 9.198, 3.632) [0.9496, 0.4528, 0.1788]\n", + " PeriodicSite: S (19.0, 9.101, 13.78) [0.9354, 0.4481, 0.6784]\n", + " PeriodicSite: S (19.23, 19.13, 3.54) [0.9465, 0.9417, 0.1743]\n", + " PeriodicSite: S (19.41, 19.09, 14.01) [0.9555, 0.9398, 0.6897]\n", + " PeriodicSite: S (3.791, 6.291, 6.083) [0.1866, 0.3097, 0.2995]\n", + " PeriodicSite: S (3.568, 6.16, 16.17) [0.1757, 0.3032, 0.7958]\n", + " PeriodicSite: S (3.828, 16.54, 6.612) [0.1885, 0.8145, 0.3255]\n", + " PeriodicSite: S (3.956, 16.17, 17.16) [0.1947, 0.7962, 0.8446]\n", + " PeriodicSite: S (13.7, 6.324, 6.161) [0.6747, 0.3114, 0.3033]\n", + " PeriodicSite: S (14.01, 6.29, 16.12) [0.6895, 0.3096, 0.7937]\n", + " PeriodicSite: S (14.01, 16.54, 6.152) [0.6897, 0.8142, 0.3029]\n", + " PeriodicSite: S (13.52, 16.46, 16.27) [0.6656, 0.8103, 0.8009]\n", + " PeriodicSite: S (6.646, 6.538, 4.009) [0.3272, 0.3219, 0.1974]\n", + " PeriodicSite: S (6.022, 6.256, 14.06) [0.2965, 0.308, 0.6924]\n", + " PeriodicSite: S (5.72, 16.46, 3.961) [0.2816, 0.8102, 0.195]\n", + " PeriodicSite: S (6.172, 16.8, 14.78) [0.3038, 0.8268, 0.7277]\n", + " PeriodicSite: S (16.23, 6.209, 3.701) [0.7991, 0.3057, 0.1822]\n", + " PeriodicSite: S (16.62, 6.406, 14.05) [0.8183, 0.3154, 0.6916]\n", + " PeriodicSite: S (16.64, 16.52, 3.96) [0.8193, 0.8133, 0.195]\n", + " PeriodicSite: S (16.28, 16.33, 14.24) [0.8017, 0.804, 0.701]\n", + " PeriodicSite: S (1.153, 8.747, 6.187) [0.05674, 0.4306, 0.3046]\n", + " PeriodicSite: S (1.344, 9.332, 15.79) [0.06618, 0.4594, 0.7772]\n", + " PeriodicSite: S (1.113, 19.15, 5.894) [0.05478, 0.9426, 0.2902]\n", + " PeriodicSite: S (1.101, 19.02, 16.74) [0.05418, 0.9363, 0.824]\n", + " PeriodicSite: S (11.63, 9.712, 6.401) [0.5727, 0.4781, 0.3151]\n", + " PeriodicSite: S (11.41, 8.834, 16.25) [0.5616, 0.4349, 0.7998]\n", + " PeriodicSite: S (11.12, 19.47, 6.347) [0.5472, 0.9584, 0.3125]\n", + " PeriodicSite: S (11.25, 19.29, 16.74) [0.5538, 0.9498, 0.8241]\n", + " PeriodicSite: S (2.49, 17.65, 2.439) [0.1226, 0.8689, 0.1201]\n", + " PeriodicSite: S (2.304, 17.6, 12.93) [0.1134, 0.8665, 0.6364]\n", + " PeriodicSite: S (12.81, 7.82, 12.58) [0.6309, 0.385, 0.6192]\n", + " PeriodicSite: S (12.46, 17.74, 2.198) [0.6134, 0.8735, 0.1082]\n", + " PeriodicSite: S (4.449, 3.909, 3.753) [0.219, 0.1924, 0.1847]\n", + " PeriodicSite: S (3.923, 3.675, 14.03) [0.1932, 0.1809, 0.6908]\n", + " PeriodicSite: S (3.621, 13.85, 4.141) [0.1783, 0.6821, 0.2039]\n", + " PeriodicSite: S (3.994, 14.12, 14.5) [0.1966, 0.6952, 0.7141]\n", + " PeriodicSite: S (13.7, 3.922, 3.732) [0.6744, 0.1931, 0.1838]\n", + " PeriodicSite: S (14.11, 4.179, 13.64) [0.6947, 0.2057, 0.6715]\n", + " PeriodicSite: S (14.14, 14.23, 3.792) [0.6961, 0.7003, 0.1867]\n", + " PeriodicSite: S (13.68, 13.89, 14.2) [0.6737, 0.6839, 0.6989]\n", + " PeriodicSite: S (8.968, 1.451, 5.642) [0.4415, 0.07142, 0.2778]\n", + " PeriodicSite: S (9.342, 1.716, 16.23) [0.4599, 0.08448, 0.7988]\n", + " PeriodicSite: S (8.899, 12.0, 5.928) [0.4381, 0.591, 0.2918]\n", + " PeriodicSite: S (9.215, 11.29, 16.64) [0.4537, 0.5559, 0.8194]\n", + " PeriodicSite: S (18.95, 1.182, 6.09) [0.9332, 0.05817, 0.2998]\n", + " PeriodicSite: S (19.22, 1.268, 16.3) [0.9464, 0.06244, 0.8025]\n", + " PeriodicSite: S (18.93, 10.88, 6.649) [0.9322, 0.5355, 0.3273]\n", + " PeriodicSite: S (19.23, 11.5, 16.2) [0.9467, 0.5663, 0.7975]\n", + " PeriodicSite: S (1.018, 1.349, 3.778) [0.05014, 0.06639, 0.186]\n", + " PeriodicSite: S (1.622, 1.081, 14.32) [0.07984, 0.05324, 0.7048]\n", + " PeriodicSite: S (1.211, 11.53, 4.377) [0.05962, 0.5676, 0.2155]\n", + " PeriodicSite: S (0.7821, 11.67, 13.43) [0.0385, 0.5747, 0.6612]\n", + " PeriodicSite: S (11.49, 1.015, 3.281) [0.5658, 0.04996, 0.1616]\n", + " PeriodicSite: S (11.55, 1.003, 13.93) [0.5685, 0.04939, 0.6859]\n", + " PeriodicSite: S (11.36, 11.58, 3.672) [0.5594, 0.5702, 0.1808]\n", + " PeriodicSite: S (11.22, 11.14, 13.91) [0.5526, 0.5485, 0.6848]\n", + " PeriodicSite: S (6.42, 4.162, 6.456) [0.316, 0.2049, 0.3178]\n", + " PeriodicSite: S (6.173, 3.982, 16.6) [0.3039, 0.196, 0.8171]\n", + " PeriodicSite: S (6.183, 14.19, 6.377) [0.3044, 0.6987, 0.314]\n", + " PeriodicSite: S (6.42, 14.0, 16.99) [0.3161, 0.6892, 0.8363]\n", + " PeriodicSite: S (16.28, 3.817, 5.963) [0.8014, 0.1879, 0.2936]\n", + " PeriodicSite: S (16.29, 3.91, 16.36) [0.8021, 0.1925, 0.8053]\n", + " PeriodicSite: S (16.55, 14.36, 6.511) [0.8148, 0.7072, 0.3206]\n", + " PeriodicSite: S (15.82, 14.34, 16.96) [0.7787, 0.7058, 0.8351]\n", + " PeriodicSite: S (7.689, 2.49, 12.8) [0.3785, 0.1226, 0.6303]\n", + " PeriodicSite: S (7.352, 13.06, 2.71) [0.362, 0.6429, 0.1334]\n", + " PeriodicSite: S (17.47, 2.396, 2.643) [0.86, 0.1179, 0.1301]\n", + " PeriodicSite: S (17.5, 12.56, 2.904) [0.8613, 0.6183, 0.143]\n", + " PeriodicSite: S (17.34, 12.98, 12.28) [0.8535, 0.6391, 0.6044]\n", + " PeriodicSite: S (3.853, 9.173, 9.26) [0.1897, 0.4516, 0.4559]\n", + " PeriodicSite: S (3.829, 8.858, 19.33) [0.1885, 0.4361, 0.9518]\n", + " PeriodicSite: S (3.771, 19.08, 9.358) [0.1857, 0.9395, 0.4607]\n", + " PeriodicSite: S (3.866, 18.82, 19.35) [0.1903, 0.9266, 0.9525]\n", + " PeriodicSite: S (13.78, 8.898, 8.811) [0.6786, 0.4381, 0.4338]\n", + " PeriodicSite: S (13.77, 8.793, 19.29) [0.6777, 0.4329, 0.9499]\n", + " PeriodicSite: S (14.15, 19.12, 8.573) [0.6965, 0.9413, 0.4221]\n", + " PeriodicSite: S (13.83, 19.15, 18.73) [0.681, 0.9425, 0.9221]\n", + " PeriodicSite: S (8.504, 5.885, 0.8255) [0.4187, 0.2897, 0.04065]\n", + " PeriodicSite: S (8.547, 6.1, 10.92) [0.4208, 0.3003, 0.5374]\n", + " PeriodicSite: S (8.439, 16.8, 1.202) [0.4155, 0.8269, 0.05915]\n", + " PeriodicSite: S (8.574, 16.18, 11.13) [0.4221, 0.7968, 0.5477]\n", + " PeriodicSite: S (19.12, 6.651, 0.991) [0.9413, 0.3274, 0.04879]\n", + " PeriodicSite: S (19.02, 6.218, 10.99) [0.9365, 0.3061, 0.5412]\n", + " PeriodicSite: S (19.23, 16.59, 0.9725) [0.9468, 0.8167, 0.04789]\n", + " PeriodicSite: S (18.91, 16.57, 11.29) [0.931, 0.8159, 0.556]\n", + " PeriodicSite: S (1.601, 6.037, 8.999) [0.07882, 0.2972, 0.443]\n", + " PeriodicSite: S (1.395, 6.62, 19.1) [0.06867, 0.3259, 0.9404]\n", + " PeriodicSite: S (1.307, 16.5, 8.983) [0.06432, 0.8124, 0.4422]\n", + " PeriodicSite: S (1.196, 15.93, 19.0) [0.05889, 0.7843, 0.9353]\n", + " PeriodicSite: S (11.39, 6.514, 9.102) [0.5606, 0.3207, 0.4481]\n", + " PeriodicSite: S (11.44, 6.72, 19.37) [0.5634, 0.3308, 0.9537]\n", + " PeriodicSite: S (11.18, 16.82, 9.202) [0.5506, 0.8278, 0.453]\n", + " PeriodicSite: S (11.11, 16.52, 19.25) [0.547, 0.8133, 0.9477]\n", + " PeriodicSite: S (6.126, 9.191, 1.434) [0.3016, 0.4525, 0.07061]\n", + " PeriodicSite: S (6.174, 8.969, 11.67) [0.304, 0.4416, 0.5745]\n", + " PeriodicSite: S (5.798, 18.67, 1.508) [0.2854, 0.9192, 0.07426]\n", + " PeriodicSite: S (6.49, 19.35, 11.33) [0.3195, 0.9524, 0.5577]\n", + " PeriodicSite: S (16.4, 9.01, 1.217) [0.8076, 0.4436, 0.05993]\n", + " PeriodicSite: S (16.22, 8.815, 11.23) [0.7985, 0.4339, 0.5528]\n", + " PeriodicSite: S (16.46, 18.88, 0.6708) [0.8105, 0.9294, 0.03303]\n", + " PeriodicSite: S (16.01, 19.17, 11.27) [0.7881, 0.9436, 0.5546]\n", + " PeriodicSite: S (7.715, 7.76, 17.47) [0.3798, 0.382, 0.8602]\n", + " PeriodicSite: S (7.632, 17.9, 7.654) [0.3758, 0.8815, 0.3768]\n", + " PeriodicSite: S (17.49, 7.253, 7.339) [0.8611, 0.3571, 0.3613]\n", + " PeriodicSite: S (17.83, 18.25, 7.764) [0.8778, 0.8984, 0.3822]\n", + " PeriodicSite: P (4.94, 19.98, 0.2316) [0.2432, 0.9835, 0.01141]\n", + " PeriodicSite: P (5.028, 0.1187, 10.28) [0.2475, 0.00584, 0.5061]\n", + " PeriodicSite: P (4.683, 10.19, 0.3347) [0.2306, 0.5015, 0.01648]\n", + " PeriodicSite: P (5.197, 10.22, 10.4) [0.2559, 0.503, 0.5118]\n", + " PeriodicSite: P (15.25, 20.09, 19.96) [0.7507, 0.9893, 0.9827]\n", + " PeriodicSite: P (15.24, 0.114, 9.91) [0.7502, 0.005606, 0.4879]\n", + " PeriodicSite: P (15.09, 10.13, 0.02783) [0.7428, 0.4988, 0.001375]\n", + " PeriodicSite: P (15.01, 10.06, 10.05) [0.7391, 0.4951, 0.4946]\n", + " PeriodicSite: P (5.271, 5.239, 5.223) [0.2595, 0.2579, 0.2571]\n", + " PeriodicSite: P (4.979, 4.981, 15.24) [0.2451, 0.2452, 0.7502]\n", + " PeriodicSite: P (4.798, 15.25, 5.247) [0.2362, 0.751, 0.2583]\n", + " PeriodicSite: P (5.205, 15.28, 15.84) [0.2562, 0.7524, 0.7799]\n", + " PeriodicSite: P (14.89, 5.15, 4.949) [0.7329, 0.2536, 0.2436]\n", + " PeriodicSite: P (15.24, 5.139, 15.06) [0.7505, 0.253, 0.7412]\n", + " PeriodicSite: P (15.39, 15.28, 5.144) [0.7578, 0.7521, 0.2532]\n", + " PeriodicSite: P (14.9, 15.14, 15.28) [0.7337, 0.7455, 0.7522]\n", + " PeriodicSite: P (20.14, 0.01891, 4.915) [0.9913, 0.0009221, 0.242]\n", + " PeriodicSite: P (0.1464, 20.26, 15.31) [0.007201, 0.9976, 0.7535]\n", + " PeriodicSite: P (20.28, 10.08, 5.161) [0.9982, 0.4962, 0.2541]\n", + " PeriodicSite: P (20.18, 10.45, 14.79) [0.9937, 0.5143, 0.7279]\n", + " PeriodicSite: P (10.25, 0.1193, 4.764) [0.5048, 0.005867, 0.2345]\n", + " PeriodicSite: P (10.24, 0.07126, 15.23) [0.5044, 0.003505, 0.7498]\n", + " PeriodicSite: P (10.2, 10.6, 5.101) [0.5024, 0.5219, 0.2511]\n", + " PeriodicSite: P (10.11, 9.98, 15.21) [0.4978, 0.4913, 0.7486]\n", + " PeriodicSite: P (20.26, 5.495, 20.12) [0.9975, 0.2705, 0.9904]\n", + " PeriodicSite: P (0.1557, 5.0, 9.968) [0.007668, 0.2462, 0.4907]\n", + " PeriodicSite: P (20.27, 15.07, 0.01735) [0.998, 0.7421, 0.000861]\n", + " PeriodicSite: P (20.13, 15.44, 10.1) [0.9908, 0.7599, 0.497]\n", + " PeriodicSite: P (10.16, 5.022, 20.17) [0.5003, 0.2472, 0.9928]\n", + " PeriodicSite: P (10.11, 5.148, 9.976) [0.4976, 0.2534, 0.4911]\n", + " PeriodicSite: P (9.724, 15.46, 0.2081) [0.4787, 0.7609, 0.01025]\n", + " PeriodicSite: P (10.25, 15.36, 10.21) [0.5044, 0.756, 0.5026],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.093, 5.396, 3.508) [0.103, 0.2656, 0.1727]\n", + " PeriodicSite: Li (1.964, 3.268, 15.57) [0.09672, 0.1609, 0.7666]\n", + " PeriodicSite: Li (0.2315, 12.37, 7.939) [0.0114, 0.6091, 0.3908]\n", + " PeriodicSite: Li (20.18, 13.47, 17.34) [0.9936, 0.6633, 0.8535]\n", + " PeriodicSite: Li (15.13, 0.8631, 6.828) [0.7449, 0.04249, 0.3361]\n", + " PeriodicSite: Li (11.13, 2.88, 15.89) [0.5478, 0.1418, 0.7823]\n", + " PeriodicSite: Li (17.18, 12.37, 4.889) [0.8456, 0.6091, 0.2407]\n", + " PeriodicSite: Li (17.0, 8.397, 15.62) [0.8371, 0.4134, 0.7689]\n", + " PeriodicSite: Li (4.279, 4.813, 8.086) [0.2106, 0.2369, 0.3981]\n", + " PeriodicSite: Li (2.426, 0.4173, 19.12) [0.1195, 0.02054, 0.9412]\n", + " PeriodicSite: Li (5.18, 8.388, 7.121) [0.255, 0.4129, 0.3506]\n", + " PeriodicSite: Li (7.328, 9.479, 16.03) [0.3608, 0.4667, 0.789]\n", + " PeriodicSite: Li (12.27, 4.83, 7.358) [0.6041, 0.2378, 0.3622]\n", + " PeriodicSite: Li (13.74, 3.297, 0.7938) [0.6764, 0.1623, 0.03909]\n", + " PeriodicSite: Li (12.31, 10.09, 11.72) [0.6059, 0.4966, 0.5769]\n", + " PeriodicSite: Li (8.85, 18.48, 19.68) [0.4357, 0.9096, 0.969]\n", + " PeriodicSite: Li (4.871, 1.989, 6.773) [0.2398, 0.09791, 0.3335]\n", + " PeriodicSite: Li (3.015, 0.2499, 15.91) [0.1485, 0.0123, 0.7835]\n", + " PeriodicSite: Li (4.246, 10.99, 7.833) [0.209, 0.5408, 0.3856]\n", + " PeriodicSite: Li (6.557, 12.02, 15.27) [0.3228, 0.5918, 0.752]\n", + " PeriodicSite: Li (12.26, 0.6436, 8.952) [0.6035, 0.03168, 0.4407]\n", + " PeriodicSite: Li (10.88, 1.455, 18.35) [0.5358, 0.07162, 0.9036]\n", + " PeriodicSite: Li (14.62, 14.91, 8.03) [0.7198, 0.7339, 0.3953]\n", + " PeriodicSite: Li (11.85, 10.4, 18.64) [0.5835, 0.5119, 0.9176]\n", + " PeriodicSite: Li (1.178, 4.326, 7.177) [0.05799, 0.213, 0.3533]\n", + " PeriodicSite: Li (0.2963, 2.238, 18.24) [0.01459, 0.1102, 0.8982]\n", + " PeriodicSite: Li (1.626, 15.05, 7.292) [0.08002, 0.7409, 0.359]\n", + " PeriodicSite: Li (2.349, 12.54, 0.09149) [0.1156, 0.6172, 0.004506]\n", + " PeriodicSite: Li (12.78, 1.465, 5.151) [0.6289, 0.07212, 0.2536]\n", + " PeriodicSite: Li (13.56, 20.16, 16.79) [0.6675, 0.9926, 0.8264]\n", + " PeriodicSite: Li (11.03, 11.95, 7.841) [0.5432, 0.5884, 0.386]\n", + " PeriodicSite: Li (14.82, 17.22, 18.67) [0.7296, 0.8479, 0.9192]\n", + " PeriodicSite: Li (7.205, 0.6398, 4.578) [0.3547, 0.03149, 0.2254]\n", + " PeriodicSite: Li (1.748, 0.1941, 1.79) [0.08606, 0.009553, 0.08811]\n", + " PeriodicSite: Li (3.011, 13.75, 10.23) [0.1483, 0.677, 0.5035]\n", + " PeriodicSite: Li (2.586, 17.09, 15.17) [0.1273, 0.8414, 0.7467]\n", + " PeriodicSite: Li (15.0, 3.478, 7.998) [0.7386, 0.1712, 0.3937]\n", + " PeriodicSite: Li (14.97, 3.279, 18.05) [0.7369, 0.1614, 0.8885]\n", + " PeriodicSite: Li (18.14, 15.84, 6.585) [0.893, 0.7797, 0.3242]\n", + " PeriodicSite: Li (11.8, 12.2, 0.3561) [0.5808, 0.6006, 0.01753]\n", + " PeriodicSite: Li (4.698, 1.687, 3.286) [0.2313, 0.08307, 0.1618]\n", + " PeriodicSite: Li (4.955, 1.904, 17.55) [0.2439, 0.09372, 0.8642]\n", + " PeriodicSite: Li (3.333, 12.28, 5.741) [0.1641, 0.6048, 0.2826]\n", + " PeriodicSite: Li (20.14, 13.09, 3.477) [0.9915, 0.6447, 0.1712]\n", + " PeriodicSite: Li (10.28, 2.45, 7.674) [0.5059, 0.1206, 0.3778]\n", + " PeriodicSite: Li (17.01, 19.69, 16.84) [0.8372, 0.9693, 0.8289]\n", + " PeriodicSite: Li (13.81, 11.26, 3.834) [0.6799, 0.5545, 0.1888]\n", + " PeriodicSite: Li (14.45, 9.202, 17.17) [0.7113, 0.453, 0.8452]\n", + " PeriodicSite: Li (4.001, 10.04, 17.71) [0.197, 0.4941, 0.8718]\n", + " PeriodicSite: Li (1.936, 10.35, 9.85) [0.09532, 0.5094, 0.4849]\n", + " PeriodicSite: Li (0.7238, 17.99, 0.5734) [0.03563, 0.8857, 0.02823]\n", + " PeriodicSite: Li (2.072, 0.8192, 9.083) [0.102, 0.04033, 0.4472]\n", + " PeriodicSite: Li (12.13, 5.343, 3.32) [0.597, 0.263, 0.1634]\n", + " PeriodicSite: Li (13.09, 9.771, 14.32) [0.6443, 0.481, 0.7049]\n", + " PeriodicSite: Li (10.88, 14.85, 6.953) [0.5356, 0.7312, 0.3423]\n", + " PeriodicSite: Li (13.64, 20.22, 13.0) [0.6715, 0.9955, 0.6401]\n", + " PeriodicSite: Li (2.988, 6.119, 0.2215) [0.1471, 0.3013, 0.01091]\n", + " PeriodicSite: Li (3.32, 4.104, 11.64) [0.1635, 0.202, 0.5732]\n", + " PeriodicSite: Li (6.418, 16.19, 19.53) [0.316, 0.797, 0.9614]\n", + " PeriodicSite: Li (5.034, 18.68, 17.08) [0.2478, 0.9198, 0.8409]\n", + " PeriodicSite: Li (14.89, 6.617, 1.608) [0.7329, 0.3258, 0.07914]\n", + " PeriodicSite: Li (10.18, 8.145, 12.2) [0.5012, 0.401, 0.6004]\n", + " PeriodicSite: Li (13.43, 18.65, 4.82) [0.6613, 0.9184, 0.2373]\n", + " PeriodicSite: Li (11.37, 17.24, 15.08) [0.56, 0.8486, 0.7422]\n", + " PeriodicSite: Li (1.704, 9.147, 1.038) [0.0839, 0.4503, 0.05112]\n", + " PeriodicSite: Li (4.064, 7.303, 10.79) [0.2001, 0.3595, 0.5314]\n", + " PeriodicSite: Li (3.035, 16.74, 0.3321) [0.1494, 0.8239, 0.01635]\n", + " PeriodicSite: Li (3.141, 16.97, 10.85) [0.1547, 0.8355, 0.534]\n", + " PeriodicSite: Li (11.77, 8.632, 0.9816) [0.5795, 0.4249, 0.04833]\n", + " PeriodicSite: Li (12.41, 5.758, 13.62) [0.6108, 0.2835, 0.6703]\n", + " PeriodicSite: Li (12.54, 15.61, 4.343) [0.6173, 0.7686, 0.2138]\n", + " PeriodicSite: Li (14.08, 15.62, 12.58) [0.6933, 0.769, 0.6193]\n", + " PeriodicSite: Li (0.1924, 7.293, 3.498) [0.009468, 0.359, 0.1722]\n", + " PeriodicSite: Li (17.64, 5.158, 9.529) [0.8683, 0.2539, 0.4691]\n", + " PeriodicSite: Li (2.108, 17.43, 4.641) [0.1038, 0.8581, 0.2285]\n", + " PeriodicSite: Li (0.6726, 18.69, 12.05) [0.03311, 0.9201, 0.593]\n", + " PeriodicSite: Li (8.749, 6.851, 2.979) [0.4307, 0.3373, 0.1467]\n", + " PeriodicSite: Li (15.05, 8.159, 13.45) [0.7408, 0.4017, 0.6623]\n", + " PeriodicSite: Li (12.77, 15.74, 1.005) [0.6284, 0.775, 0.04951]\n", + " PeriodicSite: Li (10.71, 14.68, 17.82) [0.5275, 0.7227, 0.8771]\n", + " PeriodicSite: Li (5.059, 8.1, 4.437) [0.249, 0.3987, 0.2184]\n", + " PeriodicSite: Li (19.46, 12.14, 11.08) [0.958, 0.5978, 0.5454]\n", + " PeriodicSite: Li (19.76, 16.62, 3.445) [0.9726, 0.8181, 0.1696]\n", + " PeriodicSite: Li (3.579, 19.92, 13.27) [0.1762, 0.9809, 0.6532]\n", + " PeriodicSite: Li (16.97, 10.64, 3.092) [0.8357, 0.5236, 0.1522]\n", + " PeriodicSite: Li (12.91, 7.264, 10.7) [0.6356, 0.3576, 0.5267]\n", + " PeriodicSite: Li (11.92, 18.74, 0.6984) [0.5867, 0.9225, 0.03439]\n", + " PeriodicSite: Li (13.7, 17.05, 10.35) [0.6747, 0.8392, 0.5094]\n", + " PeriodicSite: Li (3.757, 2.661, 19.78) [0.1849, 0.131, 0.9739]\n", + " PeriodicSite: Li (4.229, 9.627, 13.45) [0.2082, 0.4739, 0.662]\n", + " PeriodicSite: Li (4.429, 18.59, 2.89) [0.2181, 0.9153, 0.1423]\n", + " PeriodicSite: Li (0.7284, 15.71, 13.42) [0.03586, 0.7733, 0.6605]\n", + " PeriodicSite: Li (13.92, 8.419, 4.905) [0.6854, 0.4145, 0.2415]\n", + " PeriodicSite: Li (15.32, 5.291, 12.12) [0.754, 0.2605, 0.5966]\n", + " PeriodicSite: Li (14.92, 16.84, 1.995) [0.7345, 0.8291, 0.09821]\n", + " PeriodicSite: Li (18.22, 4.171, 14.08) [0.897, 0.2053, 0.6933]\n", + " PeriodicSite: Li (9.892, 3.285, 3.439) [0.487, 0.1617, 0.1693]\n", + " PeriodicSite: Li (9.538, 2.882, 12.65) [0.4696, 0.1419, 0.6225]\n", + " PeriodicSite: Li (6.608, 11.83, 4.868) [0.3253, 0.5824, 0.2397]\n", + " PeriodicSite: Li (3.106, 11.75, 15.46) [0.1529, 0.5784, 0.7613]\n", + " PeriodicSite: Li (17.54, 2.169, 4.375) [0.8634, 0.1068, 0.2154]\n", + " PeriodicSite: Li (12.88, 3.338, 9.846) [0.6343, 0.1643, 0.4847]\n", + " PeriodicSite: Li (18.11, 11.77, 0.2662) [0.8913, 0.5796, 0.01311]\n", + " PeriodicSite: Li (17.33, 10.14, 12.96) [0.8533, 0.4991, 0.6381]\n", + " PeriodicSite: Li (5.699, 18.93, 6.594) [0.2806, 0.9318, 0.3246]\n", + " PeriodicSite: Li (7.951, 3.37, 14.96) [0.3914, 0.1659, 0.7365]\n", + " PeriodicSite: Li (6.643, 13.15, 0.2537) [0.327, 0.6473, 0.01249]\n", + " PeriodicSite: Li (9.196, 14.64, 13.23) [0.4527, 0.7205, 0.6512]\n", + " PeriodicSite: Li (14.12, 19.89, 2.673) [0.6954, 0.9791, 0.1316]\n", + " PeriodicSite: Li (20.05, 1.929, 11.94) [0.9872, 0.09496, 0.5876]\n", + " PeriodicSite: Li (17.48, 15.04, 2.22) [0.8604, 0.7403, 0.1093]\n", + " PeriodicSite: Li (17.52, 14.86, 12.59) [0.8624, 0.7315, 0.6196]\n", + " PeriodicSite: Li (8.126, 5.905, 5.888) [0.4, 0.2907, 0.2899]\n", + " PeriodicSite: Li (6.744, 0.4813, 13.68) [0.332, 0.02369, 0.6737]\n", + " PeriodicSite: Li (9.324, 13.1, 2.74) [0.459, 0.6451, 0.1349]\n", + " PeriodicSite: Li (5.286, 13.65, 12.43) [0.2602, 0.672, 0.6119]\n", + " PeriodicSite: Li (20.3, 3.272, 2.828) [0.9992, 0.1611, 0.1393]\n", + " PeriodicSite: Li (0.2012, 7.863, 12.2) [0.009903, 0.3871, 0.6006]\n", + " PeriodicSite: Li (15.41, 13.63, 1.558) [0.7585, 0.6709, 0.07668]\n", + " PeriodicSite: Li (15.22, 12.04, 13.55) [0.7492, 0.5926, 0.6672]\n", + " PeriodicSite: Li (2.617, 0.7359, 5.317) [0.1288, 0.03623, 0.2617]\n", + " PeriodicSite: Li (5.082, 2.533, 14.15) [0.2502, 0.1247, 0.6965]\n", + " PeriodicSite: Li (4.941, 12.83, 2.384) [0.2432, 0.6317, 0.1174]\n", + " PeriodicSite: Li (8.586, 6.985, 15.26) [0.4227, 0.3439, 0.7511]\n", + " PeriodicSite: Li (17.14, 4.715, 1.895) [0.8437, 0.2321, 0.09331]\n", + " PeriodicSite: Li (17.29, 0.1827, 13.69) [0.8513, 0.008989, 0.6742]\n", + " PeriodicSite: Li (14.78, 13.4, 18.77) [0.7276, 0.6595, 0.9239]\n", + " PeriodicSite: Li (16.53, 13.34, 10.45) [0.8137, 0.6565, 0.5144]\n", + " PeriodicSite: Li (6.743, 3.173, 0.5104) [0.332, 0.1562, 0.02513]\n", + " PeriodicSite: Li (6.087, 2.934, 10.24) [0.2997, 0.1444, 0.5042]\n", + " PeriodicSite: Li (7.846, 10.37, 2.777) [0.3863, 0.5105, 0.1367]\n", + " PeriodicSite: Li (8.553, 10.77, 12.32) [0.4211, 0.5302, 0.6064]\n", + " PeriodicSite: Li (16.57, 0.2987, 2.792) [0.8158, 0.0147, 0.1375]\n", + " PeriodicSite: Li (15.45, 2.865, 11.07) [0.7606, 0.1411, 0.5451]\n", + " PeriodicSite: Li (0.3526, 10.39, 18.04) [0.01736, 0.5114, 0.8882]\n", + " PeriodicSite: Li (19.44, 13.02, 14.08) [0.9571, 0.6408, 0.693]\n", + " PeriodicSite: Li (8.596, 0.2819, 1.884) [0.4232, 0.01387, 0.09276]\n", + " PeriodicSite: Li (7.84, 0.9344, 10.91) [0.386, 0.046, 0.5372]\n", + " PeriodicSite: Li (8.097, 14.43, 5.103) [0.3986, 0.7103, 0.2512]\n", + " PeriodicSite: Li (5.169, 17.05, 12.39) [0.2544, 0.8393, 0.6101]\n", + " PeriodicSite: Li (16.64, 2.599, 0.2152) [0.8193, 0.1279, 0.0106]\n", + " PeriodicSite: Li (1.764, 7.103, 14.73) [0.08684, 0.3497, 0.7254]\n", + " PeriodicSite: Li (4.204, 14.67, 7.912) [0.207, 0.7221, 0.3895]\n", + " PeriodicSite: Li (13.27, 13.94, 10.24) [0.6535, 0.6863, 0.5043]\n", + " PeriodicSite: Li (14.09, 11.08, 6.853) [0.6936, 0.5457, 0.3374]\n", + " PeriodicSite: Li (5.581, 7.927, 15.68) [0.2747, 0.3903, 0.772]\n", + " PeriodicSite: Li (7.447, 13.37, 9.969) [0.3666, 0.6582, 0.4908]\n", + " PeriodicSite: Li (3.571, 14.63, 18.46) [0.1758, 0.7205, 0.9089]\n", + " PeriodicSite: Li (17.14, 10.09, 6.92) [0.8438, 0.4968, 0.3407]\n", + " PeriodicSite: Li (3.339, 4.742, 18.27) [0.1644, 0.2334, 0.8992]\n", + " PeriodicSite: Li (17.47, 19.61, 5.307) [0.8602, 0.9652, 0.2613]\n", + " PeriodicSite: Li (19.84, 18.1, 17.9) [0.9767, 0.891, 0.8815]\n", + " PeriodicSite: Li (7.594, 9.523, 5.917) [0.3739, 0.4688, 0.2913]\n", + " PeriodicSite: Li (9.919, 5.861, 17.94) [0.4883, 0.2885, 0.8833]\n", + " PeriodicSite: Li (8.1, 20.3, 7.825) [0.3988, 0.9992, 0.3852]\n", + " PeriodicSite: Li (7.96, 15.97, 16.6) [0.3919, 0.7865, 0.8173]\n", + " PeriodicSite: Li (18.22, 8.413, 9.428) [0.8971, 0.4142, 0.4642]\n", + " PeriodicSite: Li (17.03, 5.322, 18.42) [0.8386, 0.262, 0.9068]\n", + " PeriodicSite: Li (18.02, 20.27, 8.316) [0.8872, 0.9978, 0.4094]\n", + " PeriodicSite: Li (17.65, 15.5, 15.86) [0.8691, 0.7629, 0.7808]\n", + " PeriodicSite: Li (7.285, 5.933, 8.915) [0.3587, 0.2921, 0.4389]\n", + " PeriodicSite: Li (6.649, 5.459, 18.63) [0.3273, 0.2688, 0.9171]\n", + " PeriodicSite: Li (8.56, 18.07, 9.922) [0.4214, 0.8897, 0.4885]\n", + " PeriodicSite: Li (12.1, 12.91, 15.89) [0.5955, 0.6356, 0.7821]\n", + " PeriodicSite: Li (20.26, 7.272, 7.355) [0.9975, 0.358, 0.3621]\n", + " PeriodicSite: Li (19.65, 5.877, 17.03) [0.9673, 0.2893, 0.8382]\n", + " PeriodicSite: Li (16.91, 17.18, 9.647) [0.8327, 0.8456, 0.4749]\n", + " PeriodicSite: Li (17.02, 16.21, 19.87) [0.838, 0.798, 0.9781]\n", + " PeriodicSite: Li (9.574, 7.984, 9.265) [0.4713, 0.3931, 0.4561]\n", + " PeriodicSite: Li (5.393, 6.336, 1.768) [0.2655, 0.3119, 0.08704]\n", + " PeriodicSite: Li (5.614, 17.4, 9.367) [0.2764, 0.8566, 0.4611]\n", + " PeriodicSite: Li (6.673, 15.17, 2.185) [0.3285, 0.7466, 0.1076]\n", + " PeriodicSite: Li (15.57, 6.894, 8.158) [0.7665, 0.3394, 0.4016]\n", + " PeriodicSite: Li (18.28, 8.335, 20.04) [0.8999, 0.4103, 0.9865]\n", + " PeriodicSite: Li (15.63, 18.37, 6.689) [0.7695, 0.9045, 0.3293]\n", + " PeriodicSite: Li (14.93, 17.93, 14.66) [0.7352, 0.8828, 0.722]\n", + " PeriodicSite: Li (6.631, 4.939, 11.79) [0.3265, 0.2432, 0.5805]\n", + " PeriodicSite: Li (6.617, 8.663, 19.12) [0.3258, 0.4265, 0.9414]\n", + " PeriodicSite: Li (9.302, 17.8, 6.2) [0.4579, 0.8761, 0.3052]\n", + " PeriodicSite: Li (10.4, 17.49, 3.089) [0.5119, 0.8611, 0.1521]\n", + " PeriodicSite: Li (17.42, 8.403, 5.373) [0.8577, 0.4137, 0.2645]\n", + " PeriodicSite: Li (14.3, 6.499, 18.79) [0.7042, 0.32, 0.9253]\n", + " PeriodicSite: Li (20.21, 18.42, 8.414) [0.9951, 0.907, 0.4142]\n", + " PeriodicSite: Li (18.7, 0.6662, 0.493) [0.9208, 0.03279, 0.02428]\n", + " PeriodicSite: Li (3.24, 9.946, 4.173) [0.1595, 0.4897, 0.2054]\n", + " PeriodicSite: Li (9.276, 8.456, 18.95) [0.4567, 0.4163, 0.9331]\n", + " PeriodicSite: Li (7.8, 15.83, 8.518) [0.384, 0.7794, 0.4194]\n", + " PeriodicSite: Li (7.618, 20.14, 16.39) [0.375, 0.9916, 0.8069]\n", + " PeriodicSite: Li (17.82, 5.622, 5.758) [0.8771, 0.2768, 0.2835]\n", + " PeriodicSite: Li (16.72, 11.49, 15.94) [0.8231, 0.5658, 0.7846]\n", + " PeriodicSite: Li (2.808, 15.31, 2.39) [0.1382, 0.7536, 0.1176]\n", + " PeriodicSite: Li (15.51, 2.358, 14.75) [0.7634, 0.1161, 0.7262]\n", + " PeriodicSite: Cl (7.328, 13.02, 12.73) [0.3608, 0.6412, 0.6269]\n", + " PeriodicSite: Cl (2.204, 12.51, 18.03) [0.1085, 0.6158, 0.8879]\n", + " PeriodicSite: Cl (13.08, 17.76, 12.99) [0.6437, 0.8743, 0.6395]\n", + " PeriodicSite: Cl (17.62, 7.427, 17.73) [0.8674, 0.3656, 0.8729]\n", + " PeriodicSite: Cl (7.478, 2.07, 2.762) [0.3682, 0.1019, 0.136]\n", + " PeriodicSite: Cl (7.75, 7.682, 7.164) [0.3815, 0.3782, 0.3527]\n", + " PeriodicSite: Cl (13.04, 13.15, 8.13) [0.6418, 0.6474, 0.4003]\n", + " PeriodicSite: Cl (2.263, 7.695, 2.853) [0.1114, 0.3789, 0.1405]\n", + " PeriodicSite: Cl (2.49, 7.523, 12.63) [0.1226, 0.3704, 0.622]\n", + " PeriodicSite: Cl (12.06, 12.52, 18.31) [0.5938, 0.6162, 0.9012]\n", + " PeriodicSite: Cl (17.7, 17.41, 17.68) [0.8713, 0.857, 0.8704]\n", + " PeriodicSite: Cl (2.77, 2.609, 7.748) [0.1363, 0.1285, 0.3815]\n", + " PeriodicSite: Cl (12.88, 2.217, 17.21) [0.6339, 0.1091, 0.8474]\n", + " PeriodicSite: Cl (13.02, 7.82, 2.619) [0.6409, 0.385, 0.1289]\n", + " PeriodicSite: Cl (17.63, 2.336, 12.8) [0.8681, 0.115, 0.6304]\n", + " PeriodicSite: Cl (7.42, 17.83, 18.03) [0.3653, 0.8779, 0.8875]\n", + " PeriodicSite: Cl (0.4183, 20.29, 20.07) [0.02059, 0.9989, 0.9879]\n", + " PeriodicSite: Cl (0.2131, 0.001186, 10.31) [0.0105, 5.912e-05, 0.5076]\n", + " PeriodicSite: Cl (20.05, 10.09, 20.15) [0.9869, 0.4965, 0.9919]\n", + " PeriodicSite: Cl (19.93, 10.34, 9.889) [0.9811, 0.5091, 0.4868]\n", + " PeriodicSite: Cl (10.16, 20.25, 0.07546) [0.5004, 0.9968, 0.003719]\n", + " PeriodicSite: Cl (9.822, 0.5236, 9.509) [0.4835, 0.02578, 0.4681]\n", + " PeriodicSite: Cl (10.26, 10.26, 0.2473) [0.5049, 0.505, 0.01218]\n", + " PeriodicSite: Cl (10.13, 9.926, 10.42) [0.4989, 0.4887, 0.5131]\n", + " PeriodicSite: Cl (20.13, 5.261, 4.425) [0.991, 0.259, 0.2179]\n", + " PeriodicSite: Cl (0.1309, 5.413, 14.68) [0.006448, 0.2665, 0.7227]\n", + " PeriodicSite: Cl (0.02626, 15.79, 5.552) [0.001287, 0.7774, 0.2733]\n", + " PeriodicSite: Cl (19.89, 14.98, 15.45) [0.979, 0.7375, 0.7604]\n", + " PeriodicSite: Cl (9.937, 5.31, 4.502) [0.4892, 0.2614, 0.2217]\n", + " PeriodicSite: Cl (9.996, 4.942, 15.12) [0.4921, 0.2433, 0.7442]\n", + " PeriodicSite: Cl (9.855, 15.59, 4.965) [0.4852, 0.7675, 0.2444]\n", + " PeriodicSite: Cl (10.42, 14.99, 15.72) [0.5129, 0.7379, 0.7741]\n", + " PeriodicSite: S (4.865, 0.1678, 4.959) [0.2395, 0.008257, 0.2441]\n", + " PeriodicSite: S (5.268, 0.1785, 15.36) [0.2593, 0.008786, 0.7561]\n", + " PeriodicSite: S (5.016, 10.22, 5.609) [0.2469, 0.5031, 0.2761]\n", + " PeriodicSite: S (5.198, 10.35, 15.61) [0.2559, 0.5094, 0.7685]\n", + " PeriodicSite: S (15.27, 20.31, 4.778) [0.7519, 0.9999, 0.2352]\n", + " PeriodicSite: S (15.3, 20.2, 15.09) [0.7532, 0.9945, 0.7429]\n", + " PeriodicSite: S (15.53, 10.03, 5.151) [0.7647, 0.4936, 0.2536]\n", + " PeriodicSite: S (15.36, 9.863, 14.96) [0.7562, 0.4856, 0.7364]\n", + " PeriodicSite: S (4.821, 4.794, 20.13) [0.2373, 0.236, 0.9913]\n", + " PeriodicSite: S (5.151, 5.187, 10.17) [0.2536, 0.2554, 0.5005]\n", + " PeriodicSite: S (4.647, 14.86, 0.4442) [0.2288, 0.7314, 0.02187]\n", + " PeriodicSite: S (4.95, 15.43, 10.42) [0.2437, 0.7594, 0.5132]\n", + " PeriodicSite: S (15.37, 4.787, 20.06) [0.7569, 0.2357, 0.9876]\n", + " PeriodicSite: S (15.26, 4.874, 9.876) [0.7512, 0.2399, 0.4862]\n", + " PeriodicSite: S (14.87, 15.22, 0.06754) [0.7319, 0.7491, 0.00333]\n", + " PeriodicSite: S (15.2, 15.34, 10.49) [0.7481, 0.7552, 0.5166]\n", + " PeriodicSite: S (8.879, 3.957, 9.055) [0.4371, 0.1948, 0.4458]\n", + " PeriodicSite: S (9.819, 3.763, 18.78) [0.4834, 0.1852, 0.9243]\n", + " PeriodicSite: S (9.482, 13.95, 8.571) [0.4668, 0.6866, 0.422]\n", + " PeriodicSite: S (8.886, 14.0, 18.99) [0.4375, 0.689, 0.9348]\n", + " PeriodicSite: S (19.52, 3.738, 8.881) [0.9609, 0.184, 0.4372]\n", + " PeriodicSite: S (19.22, 4.053, 18.94) [0.9464, 0.1995, 0.9325]\n", + " PeriodicSite: S (19.23, 14.1, 8.966) [0.9467, 0.6943, 0.4414]\n", + " PeriodicSite: S (18.93, 13.99, 19.34) [0.9318, 0.6886, 0.9523]\n", + " PeriodicSite: S (3.927, 0.7696, 0.9659) [0.1933, 0.03789, 0.04755]\n", + " PeriodicSite: S (3.935, 1.232, 11.29) [0.1937, 0.06066, 0.5559]\n", + " PeriodicSite: S (3.545, 11.01, 1.682) [0.1745, 0.5419, 0.08283]\n", + " PeriodicSite: S (3.638, 11.37, 11.52) [0.1791, 0.5597, 0.5673]\n", + " PeriodicSite: S (14.59, 1.13, 0.9838) [0.7182, 0.05562, 0.04844]\n", + " PeriodicSite: S (13.79, 1.243, 11.11) [0.6787, 0.0612, 0.5467]\n", + " PeriodicSite: S (14.02, 11.57, 0.9441) [0.6902, 0.5695, 0.04648]\n", + " PeriodicSite: S (14.12, 11.38, 11.41) [0.6949, 0.5602, 0.5619]\n", + " PeriodicSite: S (6.218, 1.027, 8.723) [0.3061, 0.05055, 0.4295]\n", + " PeriodicSite: S (6.449, 0.8039, 19.19) [0.3175, 0.03957, 0.9448]\n", + " PeriodicSite: S (6.216, 11.29, 9.098) [0.306, 0.5557, 0.4479]\n", + " PeriodicSite: S (6.089, 11.13, 19.49) [0.2998, 0.5481, 0.9595]\n", + " PeriodicSite: S (16.51, 1.586, 9.126) [0.8129, 0.07808, 0.4493]\n", + " PeriodicSite: S (16.67, 0.6953, 18.85) [0.8205, 0.03422, 0.9278]\n", + " PeriodicSite: S (16.22, 11.41, 8.786) [0.7987, 0.562, 0.4325]\n", + " PeriodicSite: S (16.41, 11.15, 18.85) [0.8079, 0.549, 0.9282]\n", + " PeriodicSite: S (1.367, 4.1, 0.995) [0.06728, 0.2019, 0.04899]\n", + " PeriodicSite: S (1.109, 4.127, 11.53) [0.05461, 0.2032, 0.5678]\n", + " PeriodicSite: S (0.8794, 14.04, 1.572) [0.04329, 0.6914, 0.07737]\n", + " PeriodicSite: S (0.8465, 14.2, 11.67) [0.04167, 0.6992, 0.5744]\n", + " PeriodicSite: S (11.38, 3.891, 1.357) [0.5604, 0.1916, 0.06679]\n", + " PeriodicSite: S (11.36, 4.062, 11.43) [0.5591, 0.2, 0.5627]\n", + " PeriodicSite: S (10.97, 14.1, 1.481) [0.5399, 0.6944, 0.07292]\n", + " PeriodicSite: S (11.15, 14.18, 11.61) [0.5489, 0.6982, 0.5715]\n", + " PeriodicSite: S (2.545, 2.576, 17.69) [0.1253, 0.1268, 0.8709]\n", + " PeriodicSite: S (2.501, 12.6, 7.823) [0.1231, 0.6202, 0.3851]\n", + " PeriodicSite: S (12.63, 2.626, 7.567) [0.6218, 0.1293, 0.3725]\n", + " PeriodicSite: S (9.419, 9.1, 4.036) [0.4637, 0.448, 0.1987]\n", + " PeriodicSite: S (8.979, 8.832, 14.12) [0.442, 0.4348, 0.6951]\n", + " PeriodicSite: S (8.74, 19.25, 4.159) [0.4303, 0.9479, 0.2047]\n", + " PeriodicSite: S (8.741, 19.34, 14.4) [0.4303, 0.9521, 0.7092]\n", + " PeriodicSite: S (19.14, 9.408, 3.69) [0.9424, 0.4632, 0.1817]\n", + " PeriodicSite: S (19.28, 9.09, 13.99) [0.9494, 0.4475, 0.6885]\n", + " PeriodicSite: S (19.03, 19.55, 3.448) [0.9367, 0.9624, 0.1698]\n", + " PeriodicSite: S (19.39, 19.1, 14.12) [0.9544, 0.9405, 0.6951]\n", + " PeriodicSite: S (4.054, 6.245, 6.156) [0.1996, 0.3075, 0.3031]\n", + " PeriodicSite: S (3.834, 6.381, 16.69) [0.1887, 0.3141, 0.8217]\n", + " PeriodicSite: S (3.708, 16.58, 6.539) [0.1825, 0.8163, 0.3219]\n", + " PeriodicSite: S (3.898, 16.18, 16.73) [0.1919, 0.7968, 0.8238]\n", + " PeriodicSite: S (13.99, 6.16, 6.133) [0.6887, 0.3033, 0.302]\n", + " PeriodicSite: S (13.98, 6.532, 16.11) [0.6883, 0.3216, 0.793]\n", + " PeriodicSite: S (13.74, 16.32, 6.089) [0.6766, 0.8036, 0.2998]\n", + " PeriodicSite: S (14.06, 16.24, 16.46) [0.692, 0.7995, 0.8101]\n", + " PeriodicSite: S (6.439, 6.369, 4.042) [0.317, 0.3136, 0.199]\n", + " PeriodicSite: S (5.896, 6.509, 13.81) [0.2903, 0.3204, 0.6798]\n", + " PeriodicSite: S (6.14, 16.48, 4.164) [0.3023, 0.8114, 0.205]\n", + " PeriodicSite: S (6.363, 16.28, 14.25) [0.3132, 0.8015, 0.7016]\n", + " PeriodicSite: S (16.34, 6.278, 3.717) [0.8045, 0.3091, 0.183]\n", + " PeriodicSite: S (16.61, 6.343, 14.09) [0.8177, 0.3123, 0.6937]\n", + " PeriodicSite: S (16.41, 16.65, 3.956) [0.8079, 0.8195, 0.1947]\n", + " PeriodicSite: S (16.1, 15.84, 14.04) [0.7927, 0.7796, 0.6913]\n", + " PeriodicSite: S (1.22, 8.686, 6.009) [0.06005, 0.4276, 0.2958]\n", + " PeriodicSite: S (1.441, 9.481, 16.23) [0.07095, 0.4667, 0.7989]\n", + " PeriodicSite: S (1.052, 19.45, 6.034) [0.05179, 0.9576, 0.2971]\n", + " PeriodicSite: S (1.279, 19.04, 16.61) [0.06295, 0.9373, 0.8176]\n", + " PeriodicSite: S (11.8, 9.903, 6.492) [0.5809, 0.4875, 0.3196]\n", + " PeriodicSite: S (11.18, 8.731, 16.67) [0.5502, 0.4298, 0.8207]\n", + " PeriodicSite: S (11.37, 19.52, 6.213) [0.5599, 0.9609, 0.3059]\n", + " PeriodicSite: S (11.28, 19.38, 16.55) [0.5553, 0.9541, 0.8149]\n", + " PeriodicSite: S (2.385, 17.72, 2.387) [0.1174, 0.8723, 0.1175]\n", + " PeriodicSite: S (2.552, 17.64, 13.05) [0.1257, 0.8683, 0.6423]\n", + " PeriodicSite: S (12.43, 7.934, 12.75) [0.6121, 0.3906, 0.6278]\n", + " PeriodicSite: S (12.73, 17.64, 2.878) [0.6266, 0.8686, 0.1417]\n", + " PeriodicSite: S (4.125, 3.985, 3.678) [0.2031, 0.1962, 0.1811]\n", + " PeriodicSite: S (3.331, 4.198, 14.09) [0.164, 0.2067, 0.6934]\n", + " PeriodicSite: S (3.545, 14.24, 4.299) [0.1745, 0.7009, 0.2117]\n", + " PeriodicSite: S (4.245, 13.72, 14.62) [0.209, 0.6753, 0.7198]\n", + " PeriodicSite: S (14.02, 3.929, 3.351) [0.6904, 0.1934, 0.165]\n", + " PeriodicSite: S (14.12, 4.186, 13.81) [0.6953, 0.2061, 0.6799]\n", + " PeriodicSite: S (14.18, 13.92, 3.713) [0.6981, 0.6852, 0.1828]\n", + " PeriodicSite: S (13.57, 13.77, 14.35) [0.6682, 0.6781, 0.7067]\n", + " PeriodicSite: S (8.951, 1.726, 5.601) [0.4407, 0.08497, 0.2757]\n", + " PeriodicSite: S (9.145, 1.558, 16.54) [0.4502, 0.07668, 0.8144]\n", + " PeriodicSite: S (8.961, 11.66, 5.945) [0.4411, 0.5741, 0.2927]\n", + " PeriodicSite: S (8.927, 11.14, 16.55) [0.4395, 0.5483, 0.8149]\n", + " PeriodicSite: S (18.8, 1.231, 6.064) [0.9255, 0.06058, 0.2986]\n", + " PeriodicSite: S (19.13, 1.055, 16.47) [0.942, 0.05193, 0.8108]\n", + " PeriodicSite: S (19.0, 11.27, 6.29) [0.9353, 0.555, 0.3097]\n", + " PeriodicSite: S (18.97, 11.51, 16.41) [0.9337, 0.5669, 0.8081]\n", + " PeriodicSite: S (1.318, 1.408, 3.715) [0.06487, 0.06933, 0.1829]\n", + " PeriodicSite: S (1.496, 1.079, 14.11) [0.07363, 0.05311, 0.6949]\n", + " PeriodicSite: S (1.311, 11.55, 4.426) [0.06452, 0.5685, 0.2179]\n", + " PeriodicSite: S (1.175, 11.74, 13.94) [0.05787, 0.5778, 0.6862]\n", + " PeriodicSite: S (11.33, 0.8727, 3.388) [0.5577, 0.04296, 0.1668]\n", + " PeriodicSite: S (11.43, 1.232, 14.01) [0.5628, 0.06066, 0.6899]\n", + " PeriodicSite: S (11.27, 11.55, 3.537) [0.5551, 0.5686, 0.1741]\n", + " PeriodicSite: S (11.16, 11.23, 14.22) [0.5495, 0.5527, 0.7003]\n", + " PeriodicSite: S (6.36, 3.901, 6.357) [0.3131, 0.1921, 0.313]\n", + " PeriodicSite: S (6.082, 3.909, 16.05) [0.2994, 0.1924, 0.7903]\n", + " PeriodicSite: S (6.072, 14.19, 6.561) [0.2989, 0.6986, 0.323]\n", + " PeriodicSite: S (6.482, 14.17, 17.12) [0.3191, 0.6976, 0.8426]\n", + " PeriodicSite: S (16.22, 3.605, 5.915) [0.7988, 0.1775, 0.2912]\n", + " PeriodicSite: S (16.59, 4.063, 16.24) [0.8169, 0.2, 0.7993]\n", + " PeriodicSite: S (16.38, 14.25, 6.29) [0.8066, 0.7017, 0.3097]\n", + " PeriodicSite: S (16.29, 13.71, 16.66) [0.8019, 0.6751, 0.8203]\n", + " PeriodicSite: S (7.084, 2.702, 12.54) [0.3487, 0.133, 0.6172]\n", + " PeriodicSite: S (7.256, 12.81, 2.897) [0.3572, 0.6307, 0.1426]\n", + " PeriodicSite: S (18.0, 2.292, 2.094) [0.8862, 0.1128, 0.1031]\n", + " PeriodicSite: S (17.73, 12.95, 2.707) [0.873, 0.6375, 0.1333]\n", + " PeriodicSite: S (17.51, 12.57, 12.77) [0.8619, 0.6188, 0.6286]\n", + " PeriodicSite: S (3.836, 9.09, 9.149) [0.1888, 0.4475, 0.4504]\n", + " PeriodicSite: S (3.933, 8.658, 19.83) [0.1936, 0.4262, 0.9762]\n", + " PeriodicSite: S (3.776, 18.91, 9.018) [0.1859, 0.9309, 0.4439]\n", + " PeriodicSite: S (3.929, 18.81, 18.97) [0.1934, 0.926, 0.934]\n", + " PeriodicSite: S (13.76, 9.169, 9.006) [0.6775, 0.4514, 0.4434]\n", + " PeriodicSite: S (13.73, 8.828, 19.52) [0.6759, 0.4346, 0.9608]\n", + " PeriodicSite: S (14.14, 19.35, 8.547) [0.6964, 0.9526, 0.4208]\n", + " PeriodicSite: S (13.9, 18.97, 19.25) [0.6842, 0.9339, 0.9475]\n", + " PeriodicSite: S (8.348, 5.481, 0.6463) [0.411, 0.2698, 0.03182]\n", + " PeriodicSite: S (8.974, 6.511, 11.01) [0.4418, 0.3206, 0.5422]\n", + " PeriodicSite: S (8.556, 16.42, 1.045) [0.4212, 0.8084, 0.05146]\n", + " PeriodicSite: S (8.55, 15.78, 10.79) [0.4209, 0.7768, 0.5311]\n", + " PeriodicSite: S (19.08, 6.557, 1.119) [0.9393, 0.3228, 0.05509]\n", + " PeriodicSite: S (18.98, 6.447, 10.88) [0.9345, 0.3174, 0.5357]\n", + " PeriodicSite: S (19.11, 16.5, 1.133) [0.941, 0.8125, 0.0558]\n", + " PeriodicSite: S (19.0, 16.62, 11.43) [0.9355, 0.8182, 0.5629]\n", + " PeriodicSite: S (1.324, 6.376, 8.948) [0.06518, 0.3139, 0.4405]\n", + " PeriodicSite: S (1.214, 6.44, 18.83) [0.05979, 0.317, 0.927]\n", + " PeriodicSite: S (1.211, 16.46, 9.181) [0.05961, 0.8105, 0.452]\n", + " PeriodicSite: S (1.046, 16.23, 19.14) [0.05148, 0.7991, 0.9425]\n", + " PeriodicSite: S (11.27, 6.482, 8.733) [0.5547, 0.3191, 0.4299]\n", + " PeriodicSite: S (11.21, 6.748, 19.7) [0.5521, 0.3322, 0.9701]\n", + " PeriodicSite: S (11.5, 16.53, 9.212) [0.5663, 0.8139, 0.4535]\n", + " PeriodicSite: S (11.26, 16.51, 19.51) [0.5541, 0.8128, 0.9604]\n", + " PeriodicSite: S (6.163, 8.92, 1.802) [0.3034, 0.4392, 0.0887]\n", + " PeriodicSite: S (6.013, 9.005, 11.57) [0.296, 0.4433, 0.5694]\n", + " PeriodicSite: S (6.273, 18.72, 1.148) [0.3088, 0.9215, 0.05651]\n", + " PeriodicSite: S (6.35, 19.15, 11.25) [0.3126, 0.9428, 0.5539]\n", + " PeriodicSite: S (16.46, 9.187, 1.291) [0.8104, 0.4523, 0.06355]\n", + " PeriodicSite: S (16.39, 8.86, 11.04) [0.8068, 0.4362, 0.5436]\n", + " PeriodicSite: S (16.34, 18.67, 1.086) [0.8046, 0.9191, 0.05347]\n", + " PeriodicSite: S (16.58, 19.32, 10.88) [0.8161, 0.9513, 0.5356]\n", + " PeriodicSite: S (7.635, 7.232, 17.62) [0.3759, 0.356, 0.8672]\n", + " PeriodicSite: S (7.647, 17.96, 7.674) [0.3765, 0.8844, 0.3778]\n", + " PeriodicSite: S (17.96, 7.265, 7.511) [0.8842, 0.3577, 0.3698]\n", + " PeriodicSite: S (17.82, 18.07, 7.345) [0.8775, 0.8896, 0.3616]\n", + " PeriodicSite: P (5.268, 19.91, 20.19) [0.2593, 0.9804, 0.9938]\n", + " PeriodicSite: P (5.065, 20.25, 10.05) [0.2494, 0.9967, 0.4946]\n", + " PeriodicSite: P (5.039, 9.972, 0.5581) [0.2481, 0.4909, 0.02748]\n", + " PeriodicSite: P (5.053, 10.29, 10.46) [0.2488, 0.5066, 0.5151]\n", + " PeriodicSite: P (15.44, 20.0, 20.13) [0.7602, 0.9849, 0.9912]\n", + " PeriodicSite: P (15.24, 0.1193, 9.915) [0.7505, 0.005866, 0.4881]\n", + " PeriodicSite: P (15.22, 10.17, 20.26) [0.7491, 0.5005, 0.9976]\n", + " PeriodicSite: P (15.14, 10.19, 10.03) [0.7452, 0.5017, 0.494]\n", + " PeriodicSite: P (5.319, 5.074, 5.045) [0.2619, 0.2498, 0.2484]\n", + " PeriodicSite: P (4.784, 5.322, 15.09) [0.2355, 0.262, 0.7429]\n", + " PeriodicSite: P (4.862, 15.4, 5.319) [0.2394, 0.758, 0.2619]\n", + " PeriodicSite: P (5.308, 15.05, 15.61) [0.2613, 0.741, 0.7684]\n", + " PeriodicSite: P (15.14, 4.916, 4.8) [0.7454, 0.242, 0.2363]\n", + " PeriodicSite: P (15.32, 5.272, 15.13) [0.7541, 0.2595, 0.745]\n", + " PeriodicSite: P (15.22, 15.37, 4.854) [0.7495, 0.7565, 0.239]\n", + " PeriodicSite: P (15.02, 14.86, 15.43) [0.7393, 0.7315, 0.7597]\n", + " PeriodicSite: P (20.17, 0.3511, 4.791) [0.9929, 0.01727, 0.2359]\n", + " PeriodicSite: P (0.1345, 0.003123, 15.33) [0.006625, 0.0001549, 0.7546]\n", + " PeriodicSite: P (0.01969, 10.19, 5.285) [0.0009662, 0.5017, 0.2602]\n", + " PeriodicSite: P (0.07433, 10.54, 15.09) [0.003659, 0.5187, 0.743]\n", + " PeriodicSite: P (10.2, 0.1719, 4.877) [0.5022, 0.008458, 0.2401]\n", + " PeriodicSite: P (10.18, 0.1889, 15.29) [0.5013, 0.009297, 0.7528]\n", + " PeriodicSite: P (10.45, 10.57, 5.072) [0.5145, 0.5205, 0.2497]\n", + " PeriodicSite: P (10.12, 10.01, 15.51) [0.4984, 0.4927, 0.7634]\n", + " PeriodicSite: P (0.05053, 5.271, 20.21) [0.002491, 0.2595, 0.995]\n", + " PeriodicSite: P (0.1461, 5.185, 10.07) [0.007191, 0.2552, 0.496]\n", + " PeriodicSite: P (20.16, 15.12, 0.1345) [0.9925, 0.7442, 0.006629]\n", + " PeriodicSite: P (20.21, 15.37, 10.29) [0.9952, 0.7566, 0.5067]\n", + " PeriodicSite: P (10.25, 5.06, 0.02059) [0.5048, 0.2491, 0.001017]\n", + " PeriodicSite: P (10.21, 5.246, 10.08) [0.5029, 0.2583, 0.4961]\n", + " PeriodicSite: P (9.875, 15.21, 0.04232) [0.4861, 0.7487, 0.002088]\n", + " PeriodicSite: P (10.29, 15.21, 10.1) [0.5066, 0.7488, 0.4975],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.612, 5.758, 3.972) [0.1286, 0.2835, 0.1956]\n", + " PeriodicSite: Li (1.304, 3.163, 15.43) [0.06418, 0.1557, 0.7599]\n", + " PeriodicSite: Li (0.06746, 12.03, 8.342) [0.003318, 0.5923, 0.4107]\n", + " PeriodicSite: Li (0.1903, 13.62, 17.39) [0.009368, 0.6707, 0.8563]\n", + " PeriodicSite: Li (14.77, 0.6397, 7.004) [0.7272, 0.03149, 0.3448]\n", + " PeriodicSite: Li (11.06, 2.911, 16.03) [0.5444, 0.1433, 0.7894]\n", + " PeriodicSite: Li (17.08, 12.25, 4.837) [0.8408, 0.6032, 0.2382]\n", + " PeriodicSite: Li (17.3, 8.18, 15.52) [0.8517, 0.4027, 0.7641]\n", + " PeriodicSite: Li (3.984, 4.918, 8.313) [0.1962, 0.2421, 0.4092]\n", + " PeriodicSite: Li (2.255, 0.2957, 18.85) [0.111, 0.01456, 0.9278]\n", + " PeriodicSite: Li (5.436, 8.779, 7.518) [0.2676, 0.4322, 0.3701]\n", + " PeriodicSite: Li (7.105, 9.534, 16.19) [0.3498, 0.4694, 0.7972]\n", + " PeriodicSite: Li (12.17, 4.616, 6.582) [0.5992, 0.2272, 0.324]\n", + " PeriodicSite: Li (13.55, 4.101, 0.8947) [0.6673, 0.2019, 0.04405]\n", + " PeriodicSite: Li (12.42, 9.504, 10.7) [0.6113, 0.4679, 0.5268]\n", + " PeriodicSite: Li (8.783, 18.26, 19.54) [0.4324, 0.899, 0.9617]\n", + " PeriodicSite: Li (5.015, 1.808, 6.914) [0.2469, 0.08903, 0.3404]\n", + " PeriodicSite: Li (2.621, 0.7906, 15.62) [0.129, 0.03892, 0.7689]\n", + " PeriodicSite: Li (4.399, 11.12, 7.614) [0.2166, 0.5474, 0.3748]\n", + " PeriodicSite: Li (6.404, 12.15, 15.47) [0.3153, 0.5979, 0.7617]\n", + " PeriodicSite: Li (12.0, 0.2323, 8.029) [0.5909, 0.01143, 0.3953]\n", + " PeriodicSite: Li (10.15, 1.344, 18.94) [0.4995, 0.06617, 0.9326]\n", + " PeriodicSite: Li (14.74, 14.47, 8.058) [0.7255, 0.7126, 0.3967]\n", + " PeriodicSite: Li (12.06, 10.4, 18.1) [0.5937, 0.5118, 0.891]\n", + " PeriodicSite: Li (1.223, 4.027, 6.718) [0.06023, 0.1983, 0.3307]\n", + " PeriodicSite: Li (0.2553, 1.973, 18.14) [0.01257, 0.09713, 0.8929]\n", + " PeriodicSite: Li (1.616, 15.06, 6.892) [0.07954, 0.7412, 0.3393]\n", + " PeriodicSite: Li (2.945, 13.09, 0.2353) [0.145, 0.6442, 0.01158]\n", + " PeriodicSite: Li (12.94, 1.724, 4.843) [0.6371, 0.08488, 0.2384]\n", + " PeriodicSite: Li (13.77, 0.3325, 17.01) [0.6779, 0.01636, 0.8375]\n", + " PeriodicSite: Li (10.65, 11.89, 8.224) [0.5246, 0.5851, 0.4049]\n", + " PeriodicSite: Li (15.38, 16.98, 18.4) [0.7573, 0.8358, 0.9057]\n", + " PeriodicSite: Li (7.162, 0.6689, 5.196) [0.3526, 0.03293, 0.2558]\n", + " PeriodicSite: Li (2.144, 20.29, 2.349) [0.1056, 0.9987, 0.1157]\n", + " PeriodicSite: Li (3.11, 13.66, 10.28) [0.1531, 0.6725, 0.506]\n", + " PeriodicSite: Li (2.275, 17.39, 15.05) [0.112, 0.8563, 0.7411]\n", + " PeriodicSite: Li (14.62, 4.0, 7.813) [0.7199, 0.1969, 0.3846]\n", + " PeriodicSite: Li (14.49, 4.111, 17.87) [0.7135, 0.2024, 0.8799]\n", + " PeriodicSite: Li (17.85, 15.6, 7.281) [0.8785, 0.7679, 0.3585]\n", + " PeriodicSite: Li (11.09, 12.29, 0.1216) [0.5461, 0.6052, 0.005988]\n", + " PeriodicSite: Li (4.889, 1.558, 3.346) [0.2407, 0.07672, 0.1647]\n", + " PeriodicSite: Li (4.65, 1.998, 17.38) [0.2289, 0.09834, 0.8554]\n", + " PeriodicSite: Li (2.536, 12.21, 5.612) [0.1248, 0.6012, 0.2763]\n", + " PeriodicSite: Li (19.58, 13.18, 2.816) [0.9641, 0.6488, 0.1386]\n", + " PeriodicSite: Li (10.71, 2.728, 8.343) [0.5271, 0.1343, 0.4108]\n", + " PeriodicSite: Li (17.06, 19.87, 16.94) [0.8398, 0.9784, 0.834]\n", + " PeriodicSite: Li (13.99, 11.66, 3.703) [0.6889, 0.574, 0.1823]\n", + " PeriodicSite: Li (15.33, 9.272, 17.15) [0.7547, 0.4565, 0.8443]\n", + " PeriodicSite: Li (3.684, 9.918, 17.83) [0.1814, 0.4883, 0.8778]\n", + " PeriodicSite: Li (2.394, 10.78, 9.419) [0.1179, 0.5308, 0.4637]\n", + " PeriodicSite: Li (0.5117, 17.93, 1.203) [0.02518, 0.8827, 0.05922]\n", + " PeriodicSite: Li (2.164, 0.7929, 9.161) [0.1065, 0.03903, 0.451]\n", + " PeriodicSite: Li (12.05, 5.643, 3.181) [0.5932, 0.2778, 0.1566]\n", + " PeriodicSite: Li (12.93, 8.918, 14.93) [0.6365, 0.439, 0.7352]\n", + " PeriodicSite: Li (11.79, 15.45, 6.788) [0.5804, 0.7608, 0.3342]\n", + " PeriodicSite: Li (13.19, 20.01, 14.08) [0.6495, 0.9852, 0.693]\n", + " PeriodicSite: Li (3.219, 6.307, 0.5624) [0.1585, 0.3105, 0.02769]\n", + " PeriodicSite: Li (3.262, 3.772, 10.91) [0.1606, 0.1857, 0.5371]\n", + " PeriodicSite: Li (6.242, 16.35, 19.38) [0.3073, 0.8049, 0.9542]\n", + " PeriodicSite: Li (5.863, 18.08, 15.05) [0.2887, 0.8901, 0.7407]\n", + " PeriodicSite: Li (15.55, 6.682, 1.659) [0.7658, 0.3289, 0.08166]\n", + " PeriodicSite: Li (10.66, 8.567, 12.57) [0.5248, 0.4218, 0.619]\n", + " PeriodicSite: Li (13.23, 18.07, 4.651) [0.6513, 0.8896, 0.229]\n", + " PeriodicSite: Li (11.49, 17.38, 14.67) [0.5657, 0.8557, 0.722]\n", + " PeriodicSite: Li (2.064, 9.331, 1.015) [0.1016, 0.4594, 0.04998]\n", + " PeriodicSite: Li (4.464, 7.082, 11.63) [0.2198, 0.3487, 0.5723]\n", + " PeriodicSite: Li (3.757, 17.78, 0.8569) [0.185, 0.8754, 0.04219]\n", + " PeriodicSite: Li (3.225, 17.2, 10.37) [0.1588, 0.8467, 0.5107]\n", + " PeriodicSite: Li (12.15, 8.236, 0.7636) [0.5984, 0.4054, 0.0376]\n", + " PeriodicSite: Li (12.16, 5.579, 13.41) [0.5985, 0.2746, 0.6601]\n", + " PeriodicSite: Li (11.97, 15.19, 3.3) [0.5894, 0.7477, 0.1625]\n", + " PeriodicSite: Li (14.37, 15.05, 12.46) [0.7077, 0.7409, 0.6134]\n", + " PeriodicSite: Li (20.0, 6.933, 3.134) [0.9847, 0.3413, 0.1543]\n", + " PeriodicSite: Li (17.53, 5.744, 9.271) [0.8632, 0.2828, 0.4564]\n", + " PeriodicSite: Li (2.261, 17.6, 4.826) [0.1113, 0.8665, 0.2376]\n", + " PeriodicSite: Li (0.7583, 18.67, 11.81) [0.03733, 0.9191, 0.5817]\n", + " PeriodicSite: Li (8.851, 6.292, 2.99) [0.4357, 0.3097, 0.1472]\n", + " PeriodicSite: Li (15.03, 8.209, 13.19) [0.7401, 0.4041, 0.6492]\n", + " PeriodicSite: Li (13.23, 15.85, 0.677) [0.6514, 0.7803, 0.03333]\n", + " PeriodicSite: Li (12.04, 15.31, 17.41) [0.5928, 0.7535, 0.8569]\n", + " PeriodicSite: Li (5.046, 8.025, 4.206) [0.2484, 0.3951, 0.2071]\n", + " PeriodicSite: Li (19.67, 12.07, 11.21) [0.9683, 0.594, 0.5519]\n", + " PeriodicSite: Li (19.38, 17.24, 3.703) [0.954, 0.8487, 0.1823]\n", + " PeriodicSite: Li (3.118, 20.1, 13.21) [0.1535, 0.9895, 0.6504]\n", + " PeriodicSite: Li (16.84, 10.61, 2.642) [0.8291, 0.5224, 0.1301]\n", + " PeriodicSite: Li (13.26, 6.623, 10.26) [0.653, 0.326, 0.505]\n", + " PeriodicSite: Li (11.95, 18.66, 0.1973) [0.5885, 0.9187, 0.009718]\n", + " PeriodicSite: Li (13.57, 17.14, 10.38) [0.6679, 0.8438, 0.5112]\n", + " PeriodicSite: Li (3.32, 3.065, 20.04) [0.1635, 0.1509, 0.9866]\n", + " PeriodicSite: Li (4.336, 9.76, 13.53) [0.2135, 0.4805, 0.6659]\n", + " PeriodicSite: Li (4.881, 18.8, 3.595) [0.2403, 0.9254, 0.177]\n", + " PeriodicSite: Li (1.077, 15.99, 12.71) [0.05299, 0.7871, 0.6256]\n", + " PeriodicSite: Li (13.6, 8.88, 5.163) [0.6695, 0.4372, 0.2542]\n", + " PeriodicSite: Li (14.78, 5.662, 12.39) [0.7275, 0.2788, 0.6101]\n", + " PeriodicSite: Li (15.03, 17.49, 1.859) [0.7398, 0.8611, 0.09153]\n", + " PeriodicSite: Li (18.76, 5.027, 12.85) [0.9233, 0.2475, 0.6325]\n", + " PeriodicSite: Li (9.358, 3.047, 3.664) [0.4607, 0.15, 0.1804]\n", + " PeriodicSite: Li (10.06, 2.222, 12.0) [0.4955, 0.1094, 0.5909]\n", + " PeriodicSite: Li (5.969, 12.16, 4.49) [0.2938, 0.5988, 0.2211]\n", + " PeriodicSite: Li (3.069, 11.69, 15.73) [0.1511, 0.5756, 0.7746]\n", + " PeriodicSite: Li (18.17, 3.104, 3.988) [0.8945, 0.1528, 0.1964]\n", + " PeriodicSite: Li (13.32, 3.262, 10.12) [0.6559, 0.1606, 0.4984]\n", + " PeriodicSite: Li (18.62, 11.94, 0.2086) [0.9165, 0.5877, 0.01027]\n", + " PeriodicSite: Li (17.64, 10.21, 12.95) [0.8682, 0.5024, 0.6375]\n", + " PeriodicSite: Li (5.465, 18.48, 6.429) [0.2691, 0.9098, 0.3165]\n", + " PeriodicSite: Li (8.47, 2.999, 14.78) [0.417, 0.1477, 0.7277]\n", + " PeriodicSite: Li (6.88, 13.17, 20.12) [0.3387, 0.6483, 0.9904]\n", + " PeriodicSite: Li (9.388, 14.23, 12.75) [0.4622, 0.7004, 0.6278]\n", + " PeriodicSite: Li (13.72, 20.13, 2.866) [0.6754, 0.9908, 0.1411]\n", + " PeriodicSite: Li (19.69, 2.081, 11.2) [0.9692, 0.1024, 0.5514]\n", + " PeriodicSite: Li (17.48, 14.98, 2.831) [0.8607, 0.7376, 0.1394]\n", + " PeriodicSite: Li (17.81, 15.01, 12.92) [0.877, 0.7387, 0.6361]\n", + " PeriodicSite: Li (7.882, 5.515, 6.082) [0.388, 0.2715, 0.2994]\n", + " PeriodicSite: Li (6.461, 0.1275, 13.51) [0.3181, 0.006274, 0.6652]\n", + " PeriodicSite: Li (9.406, 12.75, 3.131) [0.4631, 0.6278, 0.1541]\n", + " PeriodicSite: Li (4.777, 13.54, 12.14) [0.2352, 0.6667, 0.5979]\n", + " PeriodicSite: Li (0.1395, 3.234, 2.621) [0.006869, 0.1592, 0.129]\n", + " PeriodicSite: Li (0.4079, 8.131, 12.32) [0.02008, 0.4003, 0.6066]\n", + " PeriodicSite: Li (15.19, 13.51, 1.915) [0.748, 0.6653, 0.09429]\n", + " PeriodicSite: Li (15.35, 11.81, 13.49) [0.7556, 0.5812, 0.664]\n", + " PeriodicSite: Li (2.741, 0.897, 5.586) [0.1349, 0.04416, 0.275]\n", + " PeriodicSite: Li (5.202, 2.531, 13.6) [0.2561, 0.1246, 0.6694]\n", + " PeriodicSite: Li (4.835, 13.11, 2.214) [0.238, 0.6457, 0.109]\n", + " PeriodicSite: Li (8.142, 6.633, 15.5) [0.4008, 0.3266, 0.7629]\n", + " PeriodicSite: Li (17.29, 4.743, 1.033) [0.8514, 0.2335, 0.05087]\n", + " PeriodicSite: Li (16.83, 19.94, 13.0) [0.8285, 0.9818, 0.6399]\n", + " PeriodicSite: Li (14.77, 13.01, 19.07) [0.727, 0.6403, 0.9388]\n", + " PeriodicSite: Li (16.53, 13.35, 10.83) [0.8138, 0.6574, 0.5331]\n", + " PeriodicSite: Li (6.641, 3.446, 0.1474) [0.3269, 0.1697, 0.007258]\n", + " PeriodicSite: Li (6.597, 3.317, 10.27) [0.3248, 0.1633, 0.5058]\n", + " PeriodicSite: Li (7.317, 10.49, 2.615) [0.3602, 0.5164, 0.1288]\n", + " PeriodicSite: Li (7.909, 10.6, 12.7) [0.3894, 0.5221, 0.6252]\n", + " PeriodicSite: Li (16.32, 1.074, 2.883) [0.8034, 0.05288, 0.1419]\n", + " PeriodicSite: Li (16.45, 3.055, 10.48) [0.8099, 0.1504, 0.5159]\n", + " PeriodicSite: Li (0.3926, 9.979, 18.24) [0.01933, 0.4913, 0.8978]\n", + " PeriodicSite: Li (19.47, 12.88, 14.61) [0.9583, 0.6341, 0.719]\n", + " PeriodicSite: Li (8.061, 0.1368, 1.841) [0.3969, 0.006732, 0.09061]\n", + " PeriodicSite: Li (7.857, 0.9381, 10.92) [0.3868, 0.04618, 0.5376]\n", + " PeriodicSite: Li (8.218, 14.6, 4.829) [0.4046, 0.7189, 0.2378]\n", + " PeriodicSite: Li (4.886, 16.63, 12.6) [0.2405, 0.8186, 0.6203]\n", + " PeriodicSite: Li (16.11, 2.589, 0.3028) [0.7931, 0.1274, 0.01491]\n", + " PeriodicSite: Li (1.855, 6.549, 14.59) [0.0913, 0.3224, 0.7184]\n", + " PeriodicSite: Li (4.182, 14.43, 8.217) [0.2059, 0.7102, 0.4045]\n", + " PeriodicSite: Li (13.47, 13.37, 9.855) [0.663, 0.658, 0.4852]\n", + " PeriodicSite: Li (13.89, 11.17, 7.085) [0.6836, 0.5501, 0.3488]\n", + " PeriodicSite: Li (5.315, 7.918, 16.11) [0.2617, 0.3898, 0.7932]\n", + " PeriodicSite: Li (7.002, 14.36, 10.42) [0.3447, 0.7072, 0.5128]\n", + " PeriodicSite: Li (4.035, 14.61, 18.25) [0.1987, 0.7191, 0.8987]\n", + " PeriodicSite: Li (17.41, 9.942, 6.622) [0.857, 0.4895, 0.326]\n", + " PeriodicSite: Li (3.065, 4.738, 18.29) [0.1509, 0.2333, 0.9006]\n", + " PeriodicSite: Li (17.18, 19.69, 5.42) [0.8456, 0.9695, 0.2668]\n", + " PeriodicSite: Li (20.29, 17.84, 17.77) [0.9989, 0.8782, 0.8747]\n", + " PeriodicSite: Li (7.318, 9.422, 5.767) [0.3603, 0.4638, 0.2839]\n", + " PeriodicSite: Li (9.98, 5.847, 17.45) [0.4914, 0.2879, 0.859]\n", + " PeriodicSite: Li (8.291, 20.17, 7.929) [0.4082, 0.9928, 0.3904]\n", + " PeriodicSite: Li (8.272, 15.65, 16.51) [0.4073, 0.7703, 0.8129]\n", + " PeriodicSite: Li (18.26, 8.576, 9.697) [0.8988, 0.4222, 0.4774]\n", + " PeriodicSite: Li (17.04, 5.378, 18.22) [0.8389, 0.2648, 0.897]\n", + " PeriodicSite: Li (18.2, 20.13, 8.93) [0.8961, 0.9909, 0.4396]\n", + " PeriodicSite: Li (17.78, 15.36, 16.16) [0.8754, 0.7562, 0.7955]\n", + " PeriodicSite: Li (7.141, 6.135, 9.283) [0.3516, 0.302, 0.457]\n", + " PeriodicSite: Li (6.696, 5.128, 18.22) [0.3297, 0.2524, 0.8972]\n", + " PeriodicSite: Li (8.575, 18.26, 9.796) [0.4221, 0.8988, 0.4823]\n", + " PeriodicSite: Li (11.21, 13.21, 15.39) [0.5519, 0.6502, 0.7576]\n", + " PeriodicSite: Li (20.17, 7.94, 7.254) [0.9929, 0.3909, 0.3571]\n", + " PeriodicSite: Li (0.01776, 6.433, 17.0) [0.0008761, 0.3167, 0.8369]\n", + " PeriodicSite: Li (17.15, 16.94, 9.647) [0.8441, 0.8342, 0.475]\n", + " PeriodicSite: Li (17.48, 15.71, 19.86) [0.8604, 0.7735, 0.9777]\n", + " PeriodicSite: Li (9.833, 8.44, 8.704) [0.4841, 0.4155, 0.4285]\n", + " PeriodicSite: Li (6.068, 5.702, 1.681) [0.2987, 0.2807, 0.08277]\n", + " PeriodicSite: Li (5.291, 17.08, 8.675) [0.2605, 0.841, 0.4271]\n", + " PeriodicSite: Li (6.351, 15.2, 2.128) [0.3127, 0.7484, 0.1048]\n", + " PeriodicSite: Li (15.64, 7.591, 8.981) [0.7701, 0.3737, 0.4422]\n", + " PeriodicSite: Li (18.28, 8.324, 19.75) [0.9001, 0.4098, 0.9722]\n", + " PeriodicSite: Li (15.42, 18.37, 6.909) [0.7593, 0.9043, 0.3402]\n", + " PeriodicSite: Li (14.95, 17.94, 15.05) [0.7362, 0.8831, 0.741]\n", + " PeriodicSite: Li (7.179, 5.139, 12.1) [0.3534, 0.253, 0.5956]\n", + " PeriodicSite: Li (5.897, 8.215, 18.8) [0.2903, 0.4044, 0.9257]\n", + " PeriodicSite: Li (9.275, 17.77, 6.392) [0.4566, 0.8748, 0.3147]\n", + " PeriodicSite: Li (10.32, 17.39, 2.695) [0.508, 0.856, 0.1327]\n", + " PeriodicSite: Li (16.42, 8.409, 4.313) [0.8086, 0.414, 0.2123]\n", + " PeriodicSite: Li (13.97, 6.728, 19.36) [0.6878, 0.3312, 0.9531]\n", + " PeriodicSite: Li (19.88, 17.67, 7.307) [0.9788, 0.87, 0.3597]\n", + " PeriodicSite: Li (18.48, 0.4305, 0.6483) [0.9096, 0.02118, 0.03192]\n", + " PeriodicSite: Li (2.849, 9.528, 4.251) [0.1403, 0.4691, 0.2093]\n", + " PeriodicSite: Li (8.933, 9.116, 18.34) [0.4398, 0.4488, 0.9028]\n", + " PeriodicSite: Li (7.893, 15.65, 7.688) [0.3886, 0.7706, 0.3785]\n", + " PeriodicSite: Li (6.803, 20.17, 16.94) [0.3349, 0.9929, 0.834]\n", + " PeriodicSite: Li (17.82, 5.874, 5.891) [0.8771, 0.2892, 0.29]\n", + " PeriodicSite: Li (17.14, 11.55, 15.91) [0.8439, 0.5687, 0.7834]\n", + " PeriodicSite: Li (2.674, 15.44, 2.044) [0.1316, 0.7603, 0.1007]\n", + " PeriodicSite: Li (15.91, 2.422, 14.71) [0.7834, 0.1192, 0.7241]\n", + " PeriodicSite: Cl (7.537, 12.78, 12.71) [0.371, 0.6291, 0.6257]\n", + " PeriodicSite: Cl (2.331, 12.6, 18.45) [0.1147, 0.6201, 0.9082]\n", + " PeriodicSite: Cl (13.06, 17.53, 13.04) [0.6428, 0.8629, 0.642]\n", + " PeriodicSite: Cl (18.35, 7.39, 17.55) [0.9032, 0.3638, 0.8642]\n", + " PeriodicSite: Cl (7.048, 2.305, 2.524) [0.347, 0.1135, 0.1243]\n", + " PeriodicSite: Cl (7.512, 7.581, 7.576) [0.3698, 0.3732, 0.373]\n", + " PeriodicSite: Cl (12.89, 13.11, 7.651) [0.6347, 0.6456, 0.3767]\n", + " PeriodicSite: Cl (2.487, 7.631, 2.512) [0.1224, 0.3757, 0.1236]\n", + " PeriodicSite: Cl (2.689, 8.315, 13.04) [0.1324, 0.4094, 0.6421]\n", + " PeriodicSite: Cl (12.5, 12.63, 17.92) [0.6152, 0.6217, 0.8824]\n", + " PeriodicSite: Cl (17.78, 17.31, 17.84) [0.8756, 0.8524, 0.8785]\n", + " PeriodicSite: Cl (2.806, 2.639, 7.541) [0.1381, 0.1299, 0.3713]\n", + " PeriodicSite: Cl (12.84, 2.601, 17.83) [0.6321, 0.128, 0.8776]\n", + " PeriodicSite: Cl (13.27, 7.416, 2.66) [0.6535, 0.3651, 0.131]\n", + " PeriodicSite: Cl (18.11, 2.654, 12.65) [0.8917, 0.1306, 0.6226]\n", + " PeriodicSite: Cl (7.276, 17.55, 17.56) [0.3582, 0.8641, 0.8645]\n", + " PeriodicSite: Cl (0.3424, 20.08, 20.05) [0.01685, 0.9883, 0.9869]\n", + " PeriodicSite: Cl (20.26, 0.3222, 9.785) [0.9973, 0.01585, 0.4817]\n", + " PeriodicSite: Cl (20.07, 9.821, 0.225) [0.9883, 0.4835, 0.01108]\n", + " PeriodicSite: Cl (20.31, 10.34, 10.08) [0.9998, 0.5093, 0.4961]\n", + " PeriodicSite: Cl (10.08, 19.85, 0.1466) [0.4961, 0.9772, 0.007222]\n", + " PeriodicSite: Cl (9.768, 0.4326, 9.577) [0.4809, 0.02129, 0.4715]\n", + " PeriodicSite: Cl (10.27, 9.9, 20.02) [0.5057, 0.4874, 0.9854]\n", + " PeriodicSite: Cl (10.3, 10.27, 10.49) [0.507, 0.5057, 0.5167]\n", + " PeriodicSite: Cl (0.03334, 4.985, 4.503) [0.001641, 0.2454, 0.2217]\n", + " PeriodicSite: Cl (20.26, 5.224, 15.35) [0.9976, 0.2572, 0.7559]\n", + " PeriodicSite: Cl (0.08354, 15.8, 5.472) [0.004107, 0.778, 0.2694]\n", + " PeriodicSite: Cl (20.08, 14.86, 15.25) [0.9888, 0.7316, 0.751]\n", + " PeriodicSite: Cl (10.02, 4.964, 4.739) [0.4932, 0.2444, 0.2333]\n", + " PeriodicSite: Cl (9.573, 5.017, 15.09) [0.4713, 0.247, 0.7427]\n", + " PeriodicSite: Cl (10.12, 15.85, 5.276) [0.4984, 0.7805, 0.2597]\n", + " PeriodicSite: Cl (10.6, 15.49, 15.54) [0.5218, 0.7624, 0.7649]\n", + " PeriodicSite: S (4.942, 0.0671, 5.107) [0.2433, 0.003302, 0.2514]\n", + " PeriodicSite: S (4.769, 0.2975, 14.97) [0.2348, 0.01465, 0.737]\n", + " PeriodicSite: S (4.961, 10.03, 5.448) [0.2442, 0.494, 0.2682]\n", + " PeriodicSite: S (4.829, 10.19, 15.88) [0.2377, 0.5015, 0.7819]\n", + " PeriodicSite: S (14.86, 19.88, 5.061) [0.7315, 0.9789, 0.2491]\n", + " PeriodicSite: S (15.39, 20.18, 15.11) [0.7578, 0.9936, 0.7441]\n", + " PeriodicSite: S (15.49, 10.42, 4.969) [0.7624, 0.5132, 0.2446]\n", + " PeriodicSite: S (15.66, 9.858, 14.94) [0.771, 0.4853, 0.7355]\n", + " PeriodicSite: S (4.893, 5.015, 20.01) [0.2409, 0.2469, 0.9849]\n", + " PeriodicSite: S (5.178, 5.156, 10.36) [0.2549, 0.2539, 0.5102]\n", + " PeriodicSite: S (4.694, 14.93, 0.4234) [0.2311, 0.735, 0.02085]\n", + " PeriodicSite: S (4.782, 15.11, 10.44) [0.2354, 0.7441, 0.5138]\n", + " PeriodicSite: S (15.33, 5.007, 20.02) [0.7549, 0.2465, 0.9855]\n", + " PeriodicSite: S (15.05, 5.201, 9.779) [0.7409, 0.2561, 0.4814]\n", + " PeriodicSite: S (15.29, 15.21, 0.06324) [0.7525, 0.7488, 0.003119]\n", + " PeriodicSite: S (15.23, 15.25, 10.23) [0.7499, 0.7507, 0.5036]\n", + " PeriodicSite: S (8.634, 4.136, 9.107) [0.425, 0.2036, 0.4483]\n", + " PeriodicSite: S (9.774, 3.711, 18.79) [0.4812, 0.1827, 0.9252]\n", + " PeriodicSite: S (9.362, 13.87, 8.351) [0.4609, 0.6826, 0.4111]\n", + " PeriodicSite: S (8.871, 14.05, 19.43) [0.4367, 0.6915, 0.9567]\n", + " PeriodicSite: S (19.13, 3.898, 8.999) [0.9419, 0.1919, 0.443]\n", + " PeriodicSite: S (19.3, 3.706, 19.16) [0.9503, 0.1824, 0.9434]\n", + " PeriodicSite: S (18.64, 14.28, 9.171) [0.9177, 0.7029, 0.4515]\n", + " PeriodicSite: S (18.95, 14.07, 19.22) [0.933, 0.6927, 0.9462]\n", + " PeriodicSite: S (3.857, 1.004, 1.015) [0.1899, 0.04943, 0.04995]\n", + " PeriodicSite: S (3.537, 0.8382, 11.3) [0.1741, 0.04127, 0.5562]\n", + " PeriodicSite: S (3.796, 11.09, 1.727) [0.1869, 0.5462, 0.08503]\n", + " PeriodicSite: S (3.563, 11.58, 11.39) [0.1754, 0.57, 0.5605]\n", + " PeriodicSite: S (14.33, 1.38, 1.253) [0.7055, 0.06794, 0.06168]\n", + " PeriodicSite: S (14.18, 1.291, 11.34) [0.6983, 0.06355, 0.5581]\n", + " PeriodicSite: S (14.14, 11.44, 0.977) [0.6961, 0.563, 0.0481]\n", + " PeriodicSite: S (14.09, 11.45, 11.5) [0.6935, 0.5638, 0.566]\n", + " PeriodicSite: S (6.174, 1.379, 9.074) [0.3039, 0.06791, 0.4467]\n", + " PeriodicSite: S (6.267, 1.468, 18.98) [0.3086, 0.07228, 0.9346]\n", + " PeriodicSite: S (6.078, 11.63, 9.183) [0.2992, 0.5726, 0.4521]\n", + " PeriodicSite: S (6.043, 10.68, 19.57) [0.2975, 0.5257, 0.9635]\n", + " PeriodicSite: S (16.21, 1.43, 8.681) [0.7981, 0.07038, 0.4274]\n", + " PeriodicSite: S (16.44, 0.9173, 18.98) [0.8092, 0.04515, 0.9344]\n", + " PeriodicSite: S (16.52, 11.56, 9.07) [0.8131, 0.5691, 0.4465]\n", + " PeriodicSite: S (16.4, 11.04, 18.88) [0.8075, 0.5433, 0.9297]\n", + " PeriodicSite: S (1.534, 4.146, 1.213) [0.0755, 0.2041, 0.05972]\n", + " PeriodicSite: S (1.021, 4.216, 11.68) [0.05024, 0.2076, 0.5752]\n", + " PeriodicSite: S (0.7969, 13.86, 1.419) [0.03923, 0.6821, 0.06985]\n", + " PeriodicSite: S (0.9795, 13.86, 11.39) [0.04822, 0.6824, 0.561]\n", + " PeriodicSite: S (11.26, 4.065, 1.54) [0.5544, 0.2001, 0.07583]\n", + " PeriodicSite: S (11.35, 4.479, 11.49) [0.5589, 0.2205, 0.5655]\n", + " PeriodicSite: S (11.03, 14.14, 1.645) [0.5428, 0.696, 0.08101]\n", + " PeriodicSite: S (11.07, 13.69, 11.21) [0.5449, 0.6739, 0.552]\n", + " PeriodicSite: S (2.436, 2.581, 17.79) [0.1199, 0.1271, 0.8758]\n", + " PeriodicSite: S (2.445, 12.88, 7.962) [0.1204, 0.6339, 0.392]\n", + " PeriodicSite: S (12.83, 2.472, 7.593) [0.6316, 0.1217, 0.3738]\n", + " PeriodicSite: S (9.272, 9.055, 3.883) [0.4564, 0.4458, 0.1912]\n", + " PeriodicSite: S (8.818, 9.027, 14.25) [0.4341, 0.4444, 0.7014]\n", + " PeriodicSite: S (8.902, 19.35, 3.928) [0.4383, 0.9525, 0.1934]\n", + " PeriodicSite: S (8.858, 19.17, 14.12) [0.4361, 0.9439, 0.6953]\n", + " PeriodicSite: S (18.89, 9.409, 3.718) [0.9301, 0.4632, 0.1831]\n", + " PeriodicSite: S (19.58, 8.773, 14.16) [0.9641, 0.4319, 0.6972]\n", + " PeriodicSite: S (19.15, 19.45, 3.5) [0.9429, 0.9577, 0.1723]\n", + " PeriodicSite: S (19.23, 18.78, 14.19) [0.9465, 0.9245, 0.6988]\n", + " PeriodicSite: S (3.857, 6.271, 5.985) [0.1899, 0.3087, 0.2947]\n", + " PeriodicSite: S (3.69, 6.322, 16.53) [0.1817, 0.3112, 0.814]\n", + " PeriodicSite: S (3.792, 16.56, 6.663) [0.1867, 0.8151, 0.328]\n", + " PeriodicSite: S (3.862, 16.3, 16.35) [0.1901, 0.8023, 0.8049]\n", + " PeriodicSite: S (14.34, 6.292, 5.737) [0.7058, 0.3098, 0.2825]\n", + " PeriodicSite: S (14.16, 6.488, 16.57) [0.6971, 0.3194, 0.8156]\n", + " PeriodicSite: S (13.95, 16.37, 6.487) [0.6868, 0.8062, 0.3194]\n", + " PeriodicSite: S (13.83, 16.09, 16.43) [0.6809, 0.7923, 0.809]\n", + " PeriodicSite: S (6.404, 6.127, 3.983) [0.3153, 0.3016, 0.1961]\n", + " PeriodicSite: S (5.992, 6.615, 13.91) [0.295, 0.3257, 0.6847]\n", + " PeriodicSite: S (6.351, 16.59, 4.39) [0.3127, 0.8168, 0.2161]\n", + " PeriodicSite: S (6.635, 15.95, 14.31) [0.3266, 0.7852, 0.7045]\n", + " PeriodicSite: S (16.84, 6.044, 3.541) [0.8292, 0.2976, 0.1743]\n", + " PeriodicSite: S (16.53, 6.391, 14.0) [0.8136, 0.3146, 0.6893]\n", + " PeriodicSite: S (16.28, 16.65, 3.997) [0.8014, 0.8199, 0.1968]\n", + " PeriodicSite: S (16.35, 16.09, 14.37) [0.805, 0.7923, 0.7073]\n", + " PeriodicSite: S (1.078, 9.278, 5.784) [0.05308, 0.4567, 0.2848]\n", + " PeriodicSite: S (1.545, 8.842, 16.66) [0.07605, 0.4353, 0.8202]\n", + " PeriodicSite: S (0.922, 19.51, 6.289) [0.04538, 0.9605, 0.3096]\n", + " PeriodicSite: S (1.44, 19.24, 16.41) [0.07088, 0.9473, 0.8079]\n", + " PeriodicSite: S (11.67, 9.523, 6.251) [0.5744, 0.4688, 0.3077]\n", + " PeriodicSite: S (11.26, 8.898, 16.45) [0.5544, 0.4381, 0.8101]\n", + " PeriodicSite: S (11.28, 19.08, 6.177) [0.5555, 0.9394, 0.3041]\n", + " PeriodicSite: S (11.51, 19.4, 15.95) [0.5669, 0.9551, 0.7853]\n", + " PeriodicSite: S (2.38, 17.75, 2.685) [0.1172, 0.8737, 0.1322]\n", + " PeriodicSite: S (2.789, 17.65, 12.55) [0.1373, 0.8688, 0.6179]\n", + " PeriodicSite: S (12.94, 7.659, 12.35) [0.637, 0.3771, 0.6079]\n", + " PeriodicSite: S (12.53, 17.59, 2.375) [0.6168, 0.8659, 0.1169]\n", + " PeriodicSite: S (3.859, 4.065, 3.607) [0.19, 0.2001, 0.1776]\n", + " PeriodicSite: S (3.507, 4.258, 13.82) [0.1726, 0.2096, 0.6804]\n", + " PeriodicSite: S (3.68, 14.32, 4.305) [0.1812, 0.705, 0.212]\n", + " PeriodicSite: S (4.301, 13.51, 14.48) [0.2117, 0.6653, 0.7126]\n", + " PeriodicSite: S (13.87, 4.047, 3.54) [0.6827, 0.1992, 0.1743]\n", + " PeriodicSite: S (14.21, 4.043, 14.01) [0.6998, 0.199, 0.6896]\n", + " PeriodicSite: S (13.99, 14.06, 3.9) [0.6886, 0.6921, 0.192]\n", + " PeriodicSite: S (14.01, 13.6, 14.28) [0.6897, 0.6697, 0.7032]\n", + " PeriodicSite: S (9.217, 1.497, 6.2) [0.4537, 0.0737, 0.3052]\n", + " PeriodicSite: S (9.156, 1.264, 16.62) [0.4508, 0.06225, 0.8181]\n", + " PeriodicSite: S (9.162, 11.52, 5.937) [0.451, 0.567, 0.2923]\n", + " PeriodicSite: S (8.865, 11.37, 16.71) [0.4364, 0.5599, 0.8227]\n", + " PeriodicSite: S (18.74, 1.489, 5.854) [0.9227, 0.07331, 0.2882]\n", + " PeriodicSite: S (19.06, 0.949, 16.48) [0.9384, 0.04672, 0.8115]\n", + " PeriodicSite: S (19.01, 11.69, 6.283) [0.9361, 0.5756, 0.3093]\n", + " PeriodicSite: S (19.46, 11.32, 16.74) [0.9579, 0.5574, 0.8239]\n", + " PeriodicSite: S (1.288, 1.587, 3.888) [0.06342, 0.07813, 0.1914]\n", + " PeriodicSite: S (0.95, 1.09, 13.86) [0.04677, 0.05367, 0.6823]\n", + " PeriodicSite: S (0.9694, 11.67, 3.71) [0.04772, 0.5745, 0.1826]\n", + " PeriodicSite: S (1.346, 11.55, 14.31) [0.06628, 0.5687, 0.7044]\n", + " PeriodicSite: S (11.21, 1.258, 3.738) [0.552, 0.06191, 0.184]\n", + " PeriodicSite: S (11.09, 1.596, 14.03) [0.5461, 0.07856, 0.6908]\n", + " PeriodicSite: S (11.53, 11.57, 3.619) [0.5676, 0.5695, 0.1782]\n", + " PeriodicSite: S (11.4, 11.2, 14.3) [0.5613, 0.5514, 0.704]\n", + " PeriodicSite: S (6.101, 3.913, 6.151) [0.3003, 0.1926, 0.3028]\n", + " PeriodicSite: S (6.204, 4.101, 16.01) [0.3054, 0.2019, 0.7881]\n", + " PeriodicSite: S (6.141, 14.08, 6.515) [0.3023, 0.693, 0.3208]\n", + " PeriodicSite: S (6.281, 14.09, 17.02) [0.3092, 0.6934, 0.8379]\n", + " PeriodicSite: S (16.32, 3.623, 5.914) [0.8036, 0.1784, 0.2911]\n", + " PeriodicSite: S (16.46, 4.099, 16.36) [0.8102, 0.2018, 0.8056]\n", + " PeriodicSite: S (16.32, 14.14, 6.212) [0.8035, 0.6963, 0.3058]\n", + " PeriodicSite: S (16.2, 13.69, 16.66) [0.7978, 0.6738, 0.8204]\n", + " PeriodicSite: S (7.448, 2.501, 12.52) [0.3667, 0.1231, 0.6165]\n", + " PeriodicSite: S (7.14, 13.08, 2.809) [0.3515, 0.644, 0.1383]\n", + " PeriodicSite: S (17.95, 2.522, 1.862) [0.8839, 0.1242, 0.09168]\n", + " PeriodicSite: S (17.54, 12.64, 2.41) [0.8636, 0.6222, 0.1187]\n", + " PeriodicSite: S (17.74, 12.53, 12.9) [0.8735, 0.6167, 0.6353]\n", + " PeriodicSite: S (3.821, 9.064, 9.3) [0.1881, 0.4462, 0.4578]\n", + " PeriodicSite: S (3.644, 8.359, 19.97) [0.1794, 0.4115, 0.9829]\n", + " PeriodicSite: S (4.003, 19.2, 8.79) [0.1971, 0.9454, 0.4327]\n", + " PeriodicSite: S (4.439, 19.08, 18.7) [0.2185, 0.9392, 0.9208]\n", + " PeriodicSite: S (14.06, 9.182, 9.01) [0.6921, 0.452, 0.4436]\n", + " PeriodicSite: S (13.82, 9.012, 19.26) [0.6805, 0.4437, 0.9482]\n", + " PeriodicSite: S (14.2, 19.22, 8.74) [0.6993, 0.9462, 0.4303]\n", + " PeriodicSite: S (14.0, 19.16, 19.32) [0.6892, 0.9434, 0.951]\n", + " PeriodicSite: S (8.295, 5.235, 0.9053) [0.4084, 0.2577, 0.04457]\n", + " PeriodicSite: S (8.862, 6.881, 11.14) [0.4363, 0.3387, 0.5486]\n", + " PeriodicSite: S (8.69, 16.55, 1.376) [0.4278, 0.8149, 0.06772]\n", + " PeriodicSite: S (8.638, 16.0, 10.91) [0.4253, 0.7879, 0.5373]\n", + " PeriodicSite: S (19.19, 6.263, 0.9666) [0.9446, 0.3083, 0.04759]\n", + " PeriodicSite: S (19.1, 6.474, 11.06) [0.9403, 0.3187, 0.5444]\n", + " PeriodicSite: S (18.77, 16.2, 1.321) [0.9239, 0.7977, 0.06503]\n", + " PeriodicSite: S (19.37, 16.53, 11.6) [0.9534, 0.8137, 0.5709]\n", + " PeriodicSite: S (1.337, 5.918, 8.822) [0.0658, 0.2914, 0.4343]\n", + " PeriodicSite: S (1.25, 6.323, 19.05) [0.06154, 0.3113, 0.9378]\n", + " PeriodicSite: S (0.8875, 16.38, 8.933) [0.04369, 0.8062, 0.4398]\n", + " PeriodicSite: S (1.151, 16.42, 19.57) [0.05666, 0.8086, 0.9635]\n", + " PeriodicSite: S (11.12, 6.169, 8.669) [0.5474, 0.3037, 0.4268]\n", + " PeriodicSite: S (11.12, 6.345, 19.61) [0.5474, 0.3124, 0.9655]\n", + " PeriodicSite: S (11.3, 16.52, 9.207) [0.5565, 0.8134, 0.4533]\n", + " PeriodicSite: S (11.12, 16.49, 19.45) [0.5473, 0.8117, 0.9577]\n", + " PeriodicSite: S (6.027, 8.526, 1.977) [0.2967, 0.4198, 0.09735]\n", + " PeriodicSite: S (6.044, 9.17, 11.76) [0.2976, 0.4514, 0.5789]\n", + " PeriodicSite: S (6.471, 19.27, 0.9405) [0.3186, 0.9486, 0.0463]\n", + " PeriodicSite: S (6.287, 19.19, 11.35) [0.3095, 0.9448, 0.5588]\n", + " PeriodicSite: S (16.4, 8.709, 0.9998) [0.8073, 0.4287, 0.04923]\n", + " PeriodicSite: S (16.46, 8.885, 11.2) [0.8103, 0.4374, 0.5514]\n", + " PeriodicSite: S (16.51, 19.15, 1.325) [0.8126, 0.9429, 0.06525]\n", + " PeriodicSite: S (16.64, 19.24, 10.94) [0.819, 0.947, 0.5387]\n", + " PeriodicSite: S (7.512, 7.423, 17.42) [0.3698, 0.3654, 0.8576]\n", + " PeriodicSite: S (7.318, 17.96, 7.745) [0.3603, 0.8841, 0.3813]\n", + " PeriodicSite: S (17.44, 7.856, 7.551) [0.8588, 0.3868, 0.3718]\n", + " PeriodicSite: S (17.63, 18.08, 7.67) [0.868, 0.8899, 0.3776]\n", + " PeriodicSite: P (5.217, 0.04209, 20.09) [0.2568, 0.002071, 0.9889]\n", + " PeriodicSite: P (4.98, 20.27, 10.16) [0.2451, 0.9981, 0.5004]\n", + " PeriodicSite: P (4.87, 9.736, 0.6952) [0.2398, 0.4793, 0.03423]\n", + " PeriodicSite: P (4.972, 10.36, 10.4) [0.2448, 0.5102, 0.5122]\n", + " PeriodicSite: P (15.27, 20.21, 0.06207) [0.7517, 0.9951, 0.003062]\n", + " PeriodicSite: P (15.24, 0.2031, 10.01) [0.7501, 0.009994, 0.4929]\n", + " PeriodicSite: P (15.21, 10.09, 20.29) [0.7487, 0.4967, 0.9988]\n", + " PeriodicSite: P (15.35, 10.33, 10.2) [0.7559, 0.5087, 0.5021]\n", + " PeriodicSite: P (4.934, 4.927, 4.886) [0.2429, 0.2426, 0.2405]\n", + " PeriodicSite: P (4.822, 5.271, 15.17) [0.2374, 0.2595, 0.747]\n", + " PeriodicSite: P (5.019, 15.37, 5.467) [0.2471, 0.7566, 0.2691]\n", + " PeriodicSite: P (5.275, 15.05, 15.47) [0.2597, 0.7411, 0.7616]\n", + " PeriodicSite: P (15.26, 4.953, 4.639) [0.7511, 0.2438, 0.2284]\n", + " PeriodicSite: P (15.23, 5.332, 15.31) [0.7497, 0.2625, 0.7538]\n", + " PeriodicSite: P (15.09, 15.29, 5.131) [0.7427, 0.7529, 0.2526]\n", + " PeriodicSite: P (15.07, 14.74, 15.48) [0.7419, 0.7257, 0.7622]\n", + " PeriodicSite: P (20.11, 0.2091, 4.906) [0.9902, 0.01029, 0.2415]\n", + " PeriodicSite: P (20.24, 20.15, 15.21) [0.9966, 0.9922, 0.749]\n", + " PeriodicSite: P (20.09, 10.53, 4.849) [0.9893, 0.5184, 0.2387]\n", + " PeriodicSite: P (0.4101, 10.14, 15.42) [0.02019, 0.4991, 0.7591]\n", + " PeriodicSite: P (10.2, 0.1343, 5.036) [0.5022, 0.006607, 0.2479]\n", + " PeriodicSite: P (10.05, 0.2211, 15.09) [0.4949, 0.01088, 0.7431]\n", + " PeriodicSite: P (10.49, 10.35, 4.865) [0.5163, 0.5097, 0.2395]\n", + " PeriodicSite: P (9.996, 10.17, 15.4) [0.4921, 0.5009, 0.7582]\n", + " PeriodicSite: P (0.1374, 5.031, 20.21) [0.006766, 0.2477, 0.995]\n", + " PeriodicSite: P (0.05312, 5.044, 10.12) [0.002615, 0.2483, 0.4981]\n", + " PeriodicSite: P (20.2, 15.15, 0.2053) [0.9943, 0.7457, 0.01011]\n", + " PeriodicSite: P (20.14, 15.18, 10.26) [0.9914, 0.7475, 0.5051]\n", + " PeriodicSite: P (10.1, 4.76, 0.1532) [0.4971, 0.2343, 0.007544]\n", + " PeriodicSite: P (10.01, 5.303, 10.17) [0.4927, 0.2611, 0.5008]\n", + " PeriodicSite: P (9.982, 15.34, 0.352) [0.4914, 0.7554, 0.01733]\n", + " PeriodicSite: P (10.16, 14.93, 9.898) [0.5001, 0.735, 0.4873],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.146, 5.235, 4.25) [0.1056, 0.2577, 0.2092]\n", + " PeriodicSite: Li (1.717, 3.331, 15.67) [0.08454, 0.164, 0.7713]\n", + " PeriodicSite: Li (20.17, 12.78, 7.578) [0.9932, 0.6291, 0.3731]\n", + " PeriodicSite: Li (0.7869, 12.78, 16.64) [0.03874, 0.6292, 0.819]\n", + " PeriodicSite: Li (14.96, 0.5705, 7.235) [0.7364, 0.02808, 0.3562]\n", + " PeriodicSite: Li (11.4, 2.731, 16.06) [0.5614, 0.1344, 0.7907]\n", + " PeriodicSite: Li (16.56, 12.14, 4.808) [0.8151, 0.5979, 0.2367]\n", + " PeriodicSite: Li (17.08, 7.912, 15.52) [0.8409, 0.3895, 0.7642]\n", + " PeriodicSite: Li (3.677, 5.455, 8.732) [0.181, 0.2686, 0.4299]\n", + " PeriodicSite: Li (2.053, 20.27, 18.72) [0.1011, 0.9979, 0.9214]\n", + " PeriodicSite: Li (5.116, 8.149, 6.874) [0.2519, 0.4012, 0.3384]\n", + " PeriodicSite: Li (7.565, 9.662, 16.2) [0.3725, 0.4757, 0.7977]\n", + " PeriodicSite: Li (12.19, 4.933, 7.276) [0.6001, 0.2428, 0.3582]\n", + " PeriodicSite: Li (13.35, 3.608, 0.4882) [0.6573, 0.1776, 0.02404]\n", + " PeriodicSite: Li (12.92, 9.583, 11.41) [0.6359, 0.4718, 0.5617]\n", + " PeriodicSite: Li (8.847, 18.11, 19.47) [0.4355, 0.8915, 0.9587]\n", + " PeriodicSite: Li (4.941, 1.699, 6.976) [0.2432, 0.08363, 0.3434]\n", + " PeriodicSite: Li (3.041, 0.1188, 15.72) [0.1497, 0.005846, 0.7738]\n", + " PeriodicSite: Li (4.199, 11.02, 7.436) [0.2067, 0.5425, 0.3661]\n", + " PeriodicSite: Li (6.413, 12.08, 14.65) [0.3157, 0.5945, 0.7211]\n", + " PeriodicSite: Li (11.53, 0.2239, 8.39) [0.5676, 0.01102, 0.413]\n", + " PeriodicSite: Li (10.26, 1.445, 18.51) [0.505, 0.07115, 0.9114]\n", + " PeriodicSite: Li (14.64, 14.5, 8.055) [0.7208, 0.714, 0.3966]\n", + " PeriodicSite: Li (12.2, 10.29, 17.82) [0.6006, 0.5064, 0.8774]\n", + " PeriodicSite: Li (0.6643, 3.576, 7.194) [0.03271, 0.176, 0.3541]\n", + " PeriodicSite: Li (20.26, 1.869, 18.22) [0.9973, 0.09198, 0.8969]\n", + " PeriodicSite: Li (2.095, 15.0, 7.193) [0.1032, 0.7384, 0.3541]\n", + " PeriodicSite: Li (3.396, 12.82, 0.06115) [0.1672, 0.631, 0.003012]\n", + " PeriodicSite: Li (13.49, 1.984, 5.239) [0.6643, 0.09767, 0.2579]\n", + " PeriodicSite: Li (14.6, 0.9219, 17.07) [0.7189, 0.04538, 0.8406]\n", + " PeriodicSite: Li (10.75, 12.11, 8.943) [0.5294, 0.5961, 0.4403]\n", + " PeriodicSite: Li (15.02, 16.93, 18.63) [0.7392, 0.8336, 0.9173]\n", + " PeriodicSite: Li (7.273, 1.363, 4.558) [0.3581, 0.06709, 0.2244]\n", + " PeriodicSite: Li (2.156, 20.3, 2.319) [0.1062, 0.9993, 0.1142]\n", + " PeriodicSite: Li (2.966, 13.72, 10.13) [0.146, 0.6756, 0.4987]\n", + " PeriodicSite: Li (2.427, 17.45, 14.93) [0.1195, 0.8589, 0.7348]\n", + " PeriodicSite: Li (14.63, 4.498, 7.756) [0.7204, 0.2215, 0.3818]\n", + " PeriodicSite: Li (14.83, 3.701, 18.2) [0.7302, 0.1822, 0.8959]\n", + " PeriodicSite: Li (18.06, 15.48, 7.421) [0.8889, 0.7623, 0.3654]\n", + " PeriodicSite: Li (10.72, 12.53, 19.49) [0.5279, 0.617, 0.9595]\n", + " PeriodicSite: Li (4.892, 1.681, 3.01) [0.2408, 0.08277, 0.1482]\n", + " PeriodicSite: Li (4.864, 2.099, 17.47) [0.2394, 0.1033, 0.86]\n", + " PeriodicSite: Li (1.463, 12.71, 5.386) [0.07205, 0.6258, 0.2651]\n", + " PeriodicSite: Li (19.31, 13.3, 2.732) [0.9506, 0.6547, 0.1345]\n", + " PeriodicSite: Li (10.28, 2.678, 7.719) [0.5063, 0.1318, 0.38]\n", + " PeriodicSite: Li (17.03, 19.39, 16.32) [0.8382, 0.9545, 0.8036]\n", + " PeriodicSite: Li (13.8, 11.66, 4.001) [0.6794, 0.5742, 0.197]\n", + " PeriodicSite: Li (15.93, 9.334, 17.43) [0.7844, 0.4595, 0.8582]\n", + " PeriodicSite: Li (4.611, 10.53, 18.06) [0.227, 0.5185, 0.8891]\n", + " PeriodicSite: Li (2.081, 11.02, 9.396) [0.1024, 0.5425, 0.4626]\n", + " PeriodicSite: Li (0.9818, 17.61, 1.51) [0.04833, 0.8668, 0.07432]\n", + " PeriodicSite: Li (2.002, 0.3907, 8.942) [0.09858, 0.01924, 0.4402]\n", + " PeriodicSite: Li (12.12, 5.356, 3.107) [0.5968, 0.2637, 0.1529]\n", + " PeriodicSite: Li (13.18, 7.965, 15.35) [0.6488, 0.3921, 0.7556]\n", + " PeriodicSite: Li (11.5, 14.59, 7.09) [0.5663, 0.7183, 0.3491]\n", + " PeriodicSite: Li (13.36, 0.7628, 13.72) [0.6579, 0.03755, 0.6756]\n", + " PeriodicSite: Li (2.917, 6.188, 0.7854) [0.1436, 0.3046, 0.03867]\n", + " PeriodicSite: Li (3.394, 4.146, 11.34) [0.1671, 0.2041, 0.5583]\n", + " PeriodicSite: Li (6.026, 16.34, 18.34) [0.2967, 0.8043, 0.903]\n", + " PeriodicSite: Li (5.699, 18.07, 15.69) [0.2806, 0.8896, 0.7725]\n", + " PeriodicSite: Li (15.26, 6.777, 1.825) [0.7512, 0.3336, 0.08985]\n", + " PeriodicSite: Li (10.63, 8.098, 12.61) [0.5233, 0.3987, 0.6209]\n", + " PeriodicSite: Li (13.27, 18.41, 4.996) [0.6534, 0.9062, 0.246]\n", + " PeriodicSite: Li (10.75, 17.47, 14.5) [0.5293, 0.8602, 0.714]\n", + " PeriodicSite: Li (1.44, 9.884, 1.584) [0.07088, 0.4866, 0.07796]\n", + " PeriodicSite: Li (4.548, 7.191, 11.65) [0.2239, 0.354, 0.5734]\n", + " PeriodicSite: Li (3.877, 17.52, 0.355) [0.1909, 0.8625, 0.01748]\n", + " PeriodicSite: Li (2.697, 16.75, 10.41) [0.1328, 0.8245, 0.5126]\n", + " PeriodicSite: Li (11.98, 8.827, 0.8011) [0.5897, 0.4346, 0.03944]\n", + " PeriodicSite: Li (11.66, 5.375, 13.39) [0.5742, 0.2646, 0.6594]\n", + " PeriodicSite: Li (11.65, 15.71, 3.346) [0.5734, 0.7736, 0.1647]\n", + " PeriodicSite: Li (15.24, 15.66, 12.61) [0.7501, 0.7711, 0.6207]\n", + " PeriodicSite: Li (20.28, 7.616, 2.769) [0.9982, 0.3749, 0.1363]\n", + " PeriodicSite: Li (17.45, 6.416, 9.587) [0.8588, 0.3159, 0.472]\n", + " PeriodicSite: Li (2.391, 17.26, 4.551) [0.1177, 0.8499, 0.224]\n", + " PeriodicSite: Li (0.2581, 19.26, 12.28) [0.0127, 0.9483, 0.6044]\n", + " PeriodicSite: Li (8.795, 7.013, 3.202) [0.433, 0.3453, 0.1576]\n", + " PeriodicSite: Li (15.27, 8.586, 13.15) [0.7517, 0.4227, 0.6472]\n", + " PeriodicSite: Li (12.87, 15.94, 1.088) [0.6337, 0.7849, 0.05357]\n", + " PeriodicSite: Li (11.19, 15.16, 17.4) [0.5508, 0.7463, 0.8565]\n", + " PeriodicSite: Li (4.672, 7.808, 4.117) [0.23, 0.3844, 0.2027]\n", + " PeriodicSite: Li (19.28, 12.21, 10.53) [0.949, 0.6009, 0.5182]\n", + " PeriodicSite: Li (19.15, 17.05, 3.852) [0.943, 0.8395, 0.1897]\n", + " PeriodicSite: Li (3.788, 19.99, 12.74) [0.1865, 0.9839, 0.6272]\n", + " PeriodicSite: Li (16.51, 10.4, 2.697) [0.8126, 0.5121, 0.1328]\n", + " PeriodicSite: Li (13.05, 6.161, 10.69) [0.6426, 0.3033, 0.5264]\n", + " PeriodicSite: Li (12.29, 18.98, 0.1637) [0.6051, 0.9343, 0.008066]\n", + " PeriodicSite: Li (13.12, 17.13, 10.6) [0.6457, 0.8433, 0.5217]\n", + " PeriodicSite: Li (3.21, 3.102, 20.03) [0.1581, 0.1527, 0.9859]\n", + " PeriodicSite: Li (3.768, 10.04, 13.7) [0.1855, 0.4944, 0.6747]\n", + " PeriodicSite: Li (4.887, 19.05, 3.159) [0.2406, 0.9378, 0.1555]\n", + " PeriodicSite: Li (1.344, 15.61, 12.92) [0.06614, 0.7687, 0.6362]\n", + " PeriodicSite: Li (12.94, 8.519, 4.431) [0.6369, 0.4194, 0.2182]\n", + " PeriodicSite: Li (14.65, 5.888, 12.25) [0.7211, 0.2899, 0.6029]\n", + " PeriodicSite: Li (15.03, 17.75, 2.108) [0.7398, 0.8737, 0.1038]\n", + " PeriodicSite: Li (19.4, 4.315, 13.02) [0.9549, 0.2124, 0.6408]\n", + " PeriodicSite: Li (9.82, 3.452, 3.339) [0.4834, 0.1699, 0.1644]\n", + " PeriodicSite: Li (9.77, 2.138, 11.79) [0.481, 0.1052, 0.5806]\n", + " PeriodicSite: Li (6.225, 12.23, 4.944) [0.3064, 0.6023, 0.2434]\n", + " PeriodicSite: Li (3.486, 12.01, 15.67) [0.1716, 0.5914, 0.7713]\n", + " PeriodicSite: Li (18.37, 3.488, 4.682) [0.9043, 0.1717, 0.2305]\n", + " PeriodicSite: Li (13.79, 2.978, 9.847) [0.6788, 0.1466, 0.4848]\n", + " PeriodicSite: Li (17.97, 11.91, 0.1964) [0.8848, 0.5865, 0.009676]\n", + " PeriodicSite: Li (18.16, 10.5, 13.41) [0.8938, 0.5169, 0.6603]\n", + " PeriodicSite: Li (5.737, 18.37, 6.397) [0.2825, 0.9045, 0.3149]\n", + " PeriodicSite: Li (8.971, 3.044, 14.74) [0.4417, 0.1499, 0.7257]\n", + " PeriodicSite: Li (6.855, 13.2, 20.12) [0.3375, 0.6496, 0.9905]\n", + " PeriodicSite: Li (9.568, 13.78, 12.9) [0.471, 0.6784, 0.635]\n", + " PeriodicSite: Li (13.19, 20.26, 3.176) [0.6492, 0.9973, 0.1564]\n", + " PeriodicSite: Li (19.62, 2.116, 11.16) [0.9659, 0.1041, 0.5495]\n", + " PeriodicSite: Li (16.97, 14.97, 1.878) [0.8356, 0.7368, 0.09245]\n", + " PeriodicSite: Li (18.64, 14.97, 13.45) [0.9178, 0.7368, 0.6621]\n", + " PeriodicSite: Li (8.296, 5.142, 6.622) [0.4084, 0.2531, 0.326]\n", + " PeriodicSite: Li (7.186, 0.3022, 13.79) [0.3538, 0.01487, 0.6791]\n", + " PeriodicSite: Li (9.795, 12.52, 3.491) [0.4822, 0.6162, 0.1719]\n", + " PeriodicSite: Li (5.096, 13.7, 11.99) [0.2509, 0.6743, 0.5905]\n", + " PeriodicSite: Li (19.98, 2.583, 2.319) [0.9837, 0.1271, 0.1142]\n", + " PeriodicSite: Li (0.8339, 8.613, 11.87) [0.04106, 0.424, 0.5845]\n", + " PeriodicSite: Li (15.07, 13.45, 1.73) [0.7421, 0.662, 0.08519]\n", + " PeriodicSite: Li (15.49, 11.65, 13.69) [0.7625, 0.5738, 0.674]\n", + " PeriodicSite: Li (2.745, 0.53, 5.462) [0.1352, 0.02609, 0.2689]\n", + " PeriodicSite: Li (5.487, 2.237, 13.82) [0.2701, 0.1101, 0.6802]\n", + " PeriodicSite: Li (5.078, 13.12, 2.372) [0.25, 0.6457, 0.1168]\n", + " PeriodicSite: Li (7.923, 6.917, 15.23) [0.39, 0.3405, 0.7496]\n", + " PeriodicSite: Li (17.37, 4.797, 1.686) [0.8551, 0.2362, 0.08299]\n", + " PeriodicSite: Li (17.13, 20.11, 13.59) [0.8436, 0.9901, 0.6692]\n", + " PeriodicSite: Li (14.93, 13.33, 18.62) [0.735, 0.6565, 0.9167]\n", + " PeriodicSite: Li (16.75, 13.75, 10.87) [0.8247, 0.6771, 0.5353]\n", + " PeriodicSite: Li (7.448, 3.784, 20.29) [0.3667, 0.1863, 0.9989]\n", + " PeriodicSite: Li (6.357, 3.541, 10.12) [0.313, 0.1743, 0.4982]\n", + " PeriodicSite: Li (7.457, 10.48, 2.389) [0.3671, 0.5159, 0.1176]\n", + " PeriodicSite: Li (8.43, 10.83, 11.11) [0.415, 0.5333, 0.5468]\n", + " PeriodicSite: Li (15.74, 0.7227, 2.993) [0.7749, 0.03557, 0.1473]\n", + " PeriodicSite: Li (16.56, 3.318, 10.73) [0.8153, 0.1633, 0.5284]\n", + " PeriodicSite: Li (0.4918, 10.06, 18.72) [0.02421, 0.4953, 0.9216]\n", + " PeriodicSite: Li (20.16, 12.94, 13.72) [0.9923, 0.637, 0.6755]\n", + " PeriodicSite: Li (8.415, 0.1821, 2.052) [0.4143, 0.00896, 0.101]\n", + " PeriodicSite: Li (7.679, 0.8612, 10.8) [0.378, 0.04239, 0.5315]\n", + " PeriodicSite: Li (7.99, 14.66, 4.182) [0.3934, 0.7217, 0.2059]\n", + " PeriodicSite: Li (4.357, 16.48, 12.66) [0.2145, 0.8112, 0.6234]\n", + " PeriodicSite: Li (16.24, 2.632, 0.8186) [0.7995, 0.1295, 0.04031]\n", + " PeriodicSite: Li (1.918, 6.407, 14.49) [0.09444, 0.3154, 0.7133]\n", + " PeriodicSite: Li (5.073, 13.63, 8.263) [0.2497, 0.6711, 0.4068]\n", + " PeriodicSite: Li (13.56, 13.47, 10.96) [0.6676, 0.663, 0.5397]\n", + " PeriodicSite: Li (13.99, 10.82, 6.695) [0.6889, 0.5325, 0.3296]\n", + " PeriodicSite: Li (5.175, 8.078, 16.05) [0.2548, 0.3977, 0.7899]\n", + " PeriodicSite: Li (7.436, 14.05, 10.34) [0.3661, 0.6918, 0.509]\n", + " PeriodicSite: Li (3.878, 14.92, 18.46) [0.1909, 0.7347, 0.909]\n", + " PeriodicSite: Li (16.97, 9.909, 6.929) [0.8354, 0.4878, 0.3411]\n", + " PeriodicSite: Li (3.045, 4.926, 18.05) [0.1499, 0.2425, 0.8886]\n", + " PeriodicSite: Li (17.21, 19.24, 5.426) [0.8475, 0.9472, 0.2671]\n", + " PeriodicSite: Li (19.73, 18.43, 18.69) [0.9712, 0.9071, 0.9203]\n", + " PeriodicSite: Li (7.196, 9.421, 5.826) [0.3543, 0.4638, 0.2868]\n", + " PeriodicSite: Li (9.483, 6.705, 17.53) [0.4669, 0.3301, 0.863]\n", + " PeriodicSite: Li (7.772, 20.21, 7.781) [0.3826, 0.9949, 0.3831]\n", + " PeriodicSite: Li (7.814, 15.8, 16.15) [0.3847, 0.7777, 0.7952]\n", + " PeriodicSite: Li (18.12, 9.227, 9.457) [0.8922, 0.4543, 0.4656]\n", + " PeriodicSite: Li (17.19, 5.331, 18.63) [0.8464, 0.2625, 0.9173]\n", + " PeriodicSite: Li (18.19, 19.52, 8.971) [0.8954, 0.9611, 0.4417]\n", + " PeriodicSite: Li (18.35, 15.88, 16.51) [0.9034, 0.7815, 0.8128]\n", + " PeriodicSite: Li (7.118, 6.339, 9.715) [0.3504, 0.3121, 0.4783]\n", + " PeriodicSite: Li (6.179, 5.659, 17.64) [0.3042, 0.2786, 0.8683]\n", + " PeriodicSite: Li (9.352, 18.08, 9.317) [0.4604, 0.8903, 0.4587]\n", + " PeriodicSite: Li (12.28, 12.58, 15.26) [0.6045, 0.6192, 0.7512]\n", + " PeriodicSite: Li (0.2965, 8.031, 7.798) [0.0146, 0.3954, 0.3839]\n", + " PeriodicSite: Li (20.04, 6.488, 17.28) [0.9865, 0.3194, 0.8505]\n", + " PeriodicSite: Li (16.4, 16.97, 10.05) [0.8076, 0.8354, 0.4948]\n", + " PeriodicSite: Li (17.74, 15.82, 19.75) [0.8736, 0.7786, 0.9724]\n", + " PeriodicSite: Li (9.165, 8.307, 9.002) [0.4512, 0.409, 0.4432]\n", + " PeriodicSite: Li (5.589, 5.885, 2.003) [0.2752, 0.2897, 0.09859]\n", + " PeriodicSite: Li (6.037, 17.51, 9.818) [0.2972, 0.8618, 0.4833]\n", + " PeriodicSite: Li (6.803, 15.23, 1.404) [0.3349, 0.7497, 0.06913]\n", + " PeriodicSite: Li (15.65, 7.214, 8.136) [0.7707, 0.3551, 0.4005]\n", + " PeriodicSite: Li (18.01, 8.524, 20.06) [0.8867, 0.4196, 0.9873]\n", + " PeriodicSite: Li (15.16, 18.16, 7.162) [0.7462, 0.8938, 0.3526]\n", + " PeriodicSite: Li (14.23, 18.31, 14.78) [0.7005, 0.9012, 0.7277]\n", + " PeriodicSite: Li (6.911, 4.919, 12.42) [0.3402, 0.2422, 0.6112]\n", + " PeriodicSite: Li (6.191, 6.989, 19.96) [0.3048, 0.3441, 0.9828]\n", + " PeriodicSite: Li (8.986, 17.55, 5.534) [0.4424, 0.8642, 0.2724]\n", + " PeriodicSite: Li (10.42, 18.2, 2.117) [0.513, 0.896, 0.1042]\n", + " PeriodicSite: Li (16.62, 8.073, 5.368) [0.8182, 0.3975, 0.2643]\n", + " PeriodicSite: Li (13.79, 6.346, 19.14) [0.679, 0.3124, 0.9424]\n", + " PeriodicSite: Li (19.79, 17.72, 7.374) [0.974, 0.8723, 0.363]\n", + " PeriodicSite: Li (18.16, 0.4299, 1.993) [0.8942, 0.02116, 0.0981]\n", + " PeriodicSite: Li (3.102, 10.27, 4.238) [0.1527, 0.5057, 0.2086]\n", + " PeriodicSite: Li (9.224, 9.516, 18.27) [0.4541, 0.4685, 0.8996]\n", + " PeriodicSite: Li (7.703, 15.74, 7.168) [0.3792, 0.7749, 0.3529]\n", + " PeriodicSite: Li (6.365, 0.1432, 17.24) [0.3134, 0.007048, 0.8487]\n", + " PeriodicSite: Li (18.24, 5.876, 6.026) [0.898, 0.2893, 0.2967]\n", + " PeriodicSite: Li (17.45, 11.99, 15.59) [0.8589, 0.5901, 0.7673]\n", + " PeriodicSite: Li (3.363, 15.45, 1.958) [0.1655, 0.7605, 0.09642]\n", + " PeriodicSite: Li (15.89, 2.347, 14.39) [0.7824, 0.1155, 0.7086]\n", + " PeriodicSite: Cl (7.626, 12.43, 12.68) [0.3755, 0.6117, 0.6243]\n", + " PeriodicSite: Cl (2.875, 12.62, 17.84) [0.1415, 0.6215, 0.8783]\n", + " PeriodicSite: Cl (13.26, 17.76, 12.76) [0.6529, 0.8743, 0.628]\n", + " PeriodicSite: Cl (17.99, 7.821, 17.86) [0.8856, 0.3851, 0.8794]\n", + " PeriodicSite: Cl (7.712, 2.297, 2.644) [0.3797, 0.1131, 0.1302]\n", + " PeriodicSite: Cl (7.439, 7.826, 7.633) [0.3662, 0.3853, 0.3758]\n", + " PeriodicSite: Cl (12.62, 12.59, 7.573) [0.6214, 0.6199, 0.3728]\n", + " PeriodicSite: Cl (2.125, 7.572, 2.982) [0.1046, 0.3728, 0.1468]\n", + " PeriodicSite: Cl (2.653, 7.962, 12.94) [0.1306, 0.392, 0.6368]\n", + " PeriodicSite: Cl (12.78, 13.02, 17.79) [0.6294, 0.641, 0.8759]\n", + " PeriodicSite: Cl (17.61, 17.76, 18.09) [0.867, 0.8743, 0.8908]\n", + " PeriodicSite: Cl (2.621, 2.131, 7.464) [0.129, 0.1049, 0.3675]\n", + " PeriodicSite: Cl (12.82, 2.421, 18.14) [0.631, 0.1192, 0.8933]\n", + " PeriodicSite: Cl (12.84, 7.535, 2.358) [0.6319, 0.371, 0.1161]\n", + " PeriodicSite: Cl (17.56, 2.931, 12.68) [0.8643, 0.1443, 0.6244]\n", + " PeriodicSite: Cl (7.744, 17.77, 17.47) [0.3812, 0.8747, 0.8599]\n", + " PeriodicSite: Cl (0.3345, 20.06, 20.1) [0.01647, 0.9878, 0.9895]\n", + " PeriodicSite: Cl (20.2, 0.1298, 10.09) [0.9945, 0.006382, 0.4968]\n", + " PeriodicSite: Cl (19.78, 10.19, 0.366) [0.9736, 0.5019, 0.01803]\n", + " PeriodicSite: Cl (0.09952, 10.09, 10.12) [0.004898, 0.4969, 0.4983]\n", + " PeriodicSite: Cl (9.833, 19.89, 20.3) [0.4841, 0.9793, 0.9993]\n", + " PeriodicSite: Cl (9.929, 0.09556, 10.06) [0.4888, 0.004701, 0.4952]\n", + " PeriodicSite: Cl (10.69, 10.46, 19.69) [0.5264, 0.5148, 0.9691]\n", + " PeriodicSite: Cl (10.25, 9.924, 10.1) [0.5047, 0.4886, 0.4971]\n", + " PeriodicSite: Cl (20.05, 5.141, 5.17) [0.9872, 0.2531, 0.2545]\n", + " PeriodicSite: Cl (0.2099, 5.062, 15.36) [0.01034, 0.2492, 0.7562]\n", + " PeriodicSite: Cl (0.3463, 15.58, 5.347) [0.01705, 0.7672, 0.2632]\n", + " PeriodicSite: Cl (0.2084, 14.89, 15.2) [0.01026, 0.7333, 0.7482]\n", + " PeriodicSite: Cl (10.37, 4.886, 5.352) [0.5103, 0.2405, 0.2635]\n", + " PeriodicSite: Cl (10.15, 5.1, 15.31) [0.4997, 0.2511, 0.7537]\n", + " PeriodicSite: Cl (10.11, 15.62, 4.916) [0.4979, 0.769, 0.242]\n", + " PeriodicSite: Cl (10.1, 15.18, 15.49) [0.4973, 0.7474, 0.7624]\n", + " PeriodicSite: S (5.136, 0.2067, 5.06) [0.2528, 0.01017, 0.2491]\n", + " PeriodicSite: S (5.392, 0.09301, 15.07) [0.2654, 0.004578, 0.7419]\n", + " PeriodicSite: S (5.103, 10.11, 5.48) [0.2512, 0.4978, 0.2698]\n", + " PeriodicSite: S (5.215, 10.49, 15.82) [0.2567, 0.5166, 0.7789]\n", + " PeriodicSite: S (14.81, 20.3, 5.211) [0.7289, 0.9995, 0.2566]\n", + " PeriodicSite: S (15.16, 0.05826, 15.21) [0.7464, 0.002862, 0.749]\n", + " PeriodicSite: S (15.34, 9.975, 4.955) [0.7554, 0.4911, 0.2439]\n", + " PeriodicSite: S (15.98, 9.905, 15.03) [0.7867, 0.4876, 0.7398]\n", + " PeriodicSite: S (5.05, 5.047, 19.78) [0.2486, 0.2485, 0.9737]\n", + " PeriodicSite: S (5.113, 5.379, 10.57) [0.2517, 0.2648, 0.5206]\n", + " PeriodicSite: S (4.947, 14.98, 0.2504) [0.2436, 0.7375, 0.01233]\n", + " PeriodicSite: S (4.917, 15.16, 10.15) [0.242, 0.7462, 0.4997]\n", + " PeriodicSite: S (15.34, 4.87, 20.14) [0.7553, 0.2397, 0.9914]\n", + " PeriodicSite: S (15.2, 5.321, 9.889) [0.7485, 0.2619, 0.4869]\n", + " PeriodicSite: S (15.1, 15.35, 0.3217) [0.7434, 0.7557, 0.01584]\n", + " PeriodicSite: S (14.91, 15.27, 10.44) [0.734, 0.7518, 0.5139]\n", + " PeriodicSite: S (8.484, 4.176, 8.989) [0.4177, 0.2056, 0.4425]\n", + " PeriodicSite: S (9.154, 3.697, 18.86) [0.4507, 0.182, 0.9284]\n", + " PeriodicSite: S (9.091, 14.07, 8.409) [0.4476, 0.6925, 0.414]\n", + " PeriodicSite: S (8.701, 14.17, 19.38) [0.4284, 0.6975, 0.954]\n", + " PeriodicSite: S (18.7, 4.206, 9.259) [0.9206, 0.207, 0.4558]\n", + " PeriodicSite: S (19.28, 4.127, 18.98) [0.9494, 0.2032, 0.9344]\n", + " PeriodicSite: S (18.55, 14.12, 9.237) [0.9133, 0.695, 0.4548]\n", + " PeriodicSite: S (19.48, 14.02, 19.09) [0.9593, 0.6905, 0.94]\n", + " PeriodicSite: S (3.695, 1.36, 1.019) [0.1819, 0.06694, 0.05018]\n", + " PeriodicSite: S (3.603, 1.289, 11.14) [0.1774, 0.06348, 0.5483]\n", + " PeriodicSite: S (3.632, 11.15, 1.708) [0.1788, 0.5491, 0.08408]\n", + " PeriodicSite: S (3.613, 11.64, 11.57) [0.1779, 0.5728, 0.5698]\n", + " PeriodicSite: S (13.86, 1.125, 1.245) [0.6825, 0.05537, 0.0613]\n", + " PeriodicSite: S (14.58, 1.482, 11.52) [0.7179, 0.07293, 0.5671]\n", + " PeriodicSite: S (13.86, 10.99, 1.107) [0.6826, 0.5409, 0.05452]\n", + " PeriodicSite: S (14.46, 11.44, 11.46) [0.7117, 0.5632, 0.5643]\n", + " PeriodicSite: S (6.124, 1.332, 9.072) [0.3015, 0.06559, 0.4466]\n", + " PeriodicSite: S (6.335, 1.496, 19.13) [0.3119, 0.07365, 0.9419]\n", + " PeriodicSite: S (6.293, 11.64, 9.317) [0.3098, 0.5729, 0.4587]\n", + " PeriodicSite: S (6.176, 10.97, 19.79) [0.304, 0.5399, 0.9741]\n", + " PeriodicSite: S (16.44, 1.054, 8.83) [0.8091, 0.05189, 0.4347]\n", + " PeriodicSite: S (16.28, 1.251, 19.12) [0.8013, 0.06156, 0.9412]\n", + " PeriodicSite: S (16.73, 11.44, 8.883) [0.8234, 0.563, 0.4373]\n", + " PeriodicSite: S (16.33, 11.02, 19.03) [0.8041, 0.5427, 0.9367]\n", + " PeriodicSite: S (1.212, 3.999, 1.281) [0.05968, 0.1969, 0.06305]\n", + " PeriodicSite: S (0.9457, 4.042, 11.26) [0.04656, 0.199, 0.5541]\n", + " PeriodicSite: S (1.434, 14.0, 1.428) [0.07058, 0.6892, 0.07028]\n", + " PeriodicSite: S (0.897, 13.88, 11.31) [0.04416, 0.6835, 0.5569]\n", + " PeriodicSite: S (11.11, 3.656, 1.21) [0.5472, 0.18, 0.05959]\n", + " PeriodicSite: S (11.35, 4.193, 10.95) [0.5586, 0.2064, 0.5391]\n", + " PeriodicSite: S (11.1, 14.32, 1.397) [0.5464, 0.7049, 0.06877]\n", + " PeriodicSite: S (11.32, 13.64, 10.84) [0.5571, 0.6715, 0.5339]\n", + " PeriodicSite: S (2.51, 2.311, 17.66) [0.1236, 0.1138, 0.8695]\n", + " PeriodicSite: S (2.332, 12.63, 7.778) [0.1148, 0.6217, 0.3829]\n", + " PeriodicSite: S (12.7, 2.887, 7.744) [0.6252, 0.1421, 0.3812]\n", + " PeriodicSite: S (8.758, 9.041, 3.843) [0.4312, 0.4451, 0.1892]\n", + " PeriodicSite: S (8.603, 9.13, 13.83) [0.4235, 0.4495, 0.681]\n", + " PeriodicSite: S (8.696, 19.38, 4.0) [0.4281, 0.954, 0.197]\n", + " PeriodicSite: S (9.244, 19.01, 13.87) [0.4551, 0.936, 0.6829]\n", + " PeriodicSite: S (18.82, 8.73, 3.991) [0.9264, 0.4298, 0.1965]\n", + " PeriodicSite: S (19.55, 8.66, 14.19) [0.9626, 0.4263, 0.6987]\n", + " PeriodicSite: S (19.12, 19.24, 3.535) [0.9411, 0.947, 0.174]\n", + " PeriodicSite: S (19.01, 18.62, 14.1) [0.9357, 0.9169, 0.6943]\n", + " PeriodicSite: S (3.83, 6.226, 6.091) [0.1886, 0.3065, 0.2999]\n", + " PeriodicSite: S (3.758, 6.126, 16.05) [0.185, 0.3016, 0.7903]\n", + " PeriodicSite: S (3.99, 16.25, 6.795) [0.1964, 0.7998, 0.3345]\n", + " PeriodicSite: S (3.911, 16.39, 16.52) [0.1925, 0.8071, 0.8135]\n", + " PeriodicSite: S (14.3, 6.362, 6.023) [0.7039, 0.3132, 0.2965]\n", + " PeriodicSite: S (14.46, 6.534, 16.57) [0.7117, 0.3216, 0.8156]\n", + " PeriodicSite: S (14.01, 16.22, 6.444) [0.6897, 0.7986, 0.3173]\n", + " PeriodicSite: S (13.84, 16.25, 16.54) [0.6813, 0.7999, 0.8142]\n", + " PeriodicSite: S (6.451, 6.144, 4.179) [0.3176, 0.3025, 0.2058]\n", + " PeriodicSite: S (5.954, 6.351, 14.0) [0.2931, 0.3127, 0.6894]\n", + " PeriodicSite: S (5.94, 16.59, 4.044) [0.2924, 0.8167, 0.1991]\n", + " PeriodicSite: S (6.448, 16.12, 14.24) [0.3175, 0.7935, 0.7013]\n", + " PeriodicSite: S (16.58, 6.193, 3.643) [0.8165, 0.3049, 0.1794]\n", + " PeriodicSite: S (16.53, 6.22, 13.84) [0.8137, 0.3062, 0.6813]\n", + " PeriodicSite: S (16.35, 16.55, 3.963) [0.8048, 0.8146, 0.1951]\n", + " PeriodicSite: S (16.62, 16.07, 14.5) [0.8182, 0.791, 0.714]\n", + " PeriodicSite: S (1.011, 9.464, 6.345) [0.04975, 0.4659, 0.3124]\n", + " PeriodicSite: S (1.666, 8.789, 16.86) [0.08203, 0.4327, 0.8301]\n", + " PeriodicSite: S (0.8839, 19.34, 6.275) [0.04351, 0.9519, 0.3089]\n", + " PeriodicSite: S (1.066, 19.05, 16.56) [0.05248, 0.9378, 0.815]\n", + " PeriodicSite: S (11.21, 8.854, 6.094) [0.5517, 0.4359, 0.3]\n", + " PeriodicSite: S (11.14, 8.642, 16.31) [0.5484, 0.4254, 0.8031]\n", + " PeriodicSite: S (11.27, 19.25, 6.234) [0.5548, 0.9479, 0.3069]\n", + " PeriodicSite: S (11.8, 19.41, 15.71) [0.5811, 0.9555, 0.7736]\n", + " PeriodicSite: S (2.774, 18.09, 2.531) [0.1366, 0.8905, 0.1246]\n", + " PeriodicSite: S (2.282, 17.61, 12.62) [0.1123, 0.8671, 0.6212]\n", + " PeriodicSite: S (12.92, 7.525, 12.65) [0.6359, 0.3704, 0.623]\n", + " PeriodicSite: S (12.72, 17.92, 2.436) [0.6263, 0.8821, 0.1199]\n", + " PeriodicSite: S (4.081, 4.007, 3.694) [0.2009, 0.1973, 0.1819]\n", + " PeriodicSite: S (3.623, 3.563, 13.96) [0.1784, 0.1754, 0.6875]\n", + " PeriodicSite: S (3.854, 13.91, 4.166) [0.1897, 0.6847, 0.2051]\n", + " PeriodicSite: S (4.17, 13.77, 14.22) [0.2053, 0.6781, 0.6999]\n", + " PeriodicSite: S (13.92, 3.932, 3.592) [0.6851, 0.1936, 0.1769]\n", + " PeriodicSite: S (13.85, 4.103, 14.28) [0.6819, 0.202, 0.7029]\n", + " PeriodicSite: S (13.9, 14.3, 3.831) [0.6845, 0.7039, 0.1886]\n", + " PeriodicSite: S (14.24, 14.03, 14.23) [0.7012, 0.6906, 0.7004]\n", + " PeriodicSite: S (8.83, 1.252, 6.389) [0.4347, 0.06162, 0.3145]\n", + " PeriodicSite: S (9.013, 0.8985, 16.48) [0.4437, 0.04423, 0.8113]\n", + " PeriodicSite: S (9.188, 11.56, 5.954) [0.4523, 0.569, 0.2931]\n", + " PeriodicSite: S (9.164, 11.27, 16.61) [0.4511, 0.555, 0.8176]\n", + " PeriodicSite: S (18.97, 1.414, 6.069) [0.9338, 0.06962, 0.2988]\n", + " PeriodicSite: S (18.9, 0.858, 16.24) [0.9307, 0.04223, 0.7996]\n", + " PeriodicSite: S (18.84, 11.75, 5.593) [0.9276, 0.5785, 0.2754]\n", + " PeriodicSite: S (19.41, 11.02, 16.81) [0.9557, 0.5427, 0.8275]\n", + " PeriodicSite: S (1.159, 1.475, 3.893) [0.05705, 0.07261, 0.1916]\n", + " PeriodicSite: S (1.057, 0.8905, 13.98) [0.05205, 0.04384, 0.6883]\n", + " PeriodicSite: S (0.7976, 11.11, 3.544) [0.03926, 0.5471, 0.1745]\n", + " PeriodicSite: S (1.577, 11.21, 14.49) [0.07764, 0.552, 0.7134]\n", + " PeriodicSite: S (11.19, 1.288, 3.817) [0.551, 0.0634, 0.1879]\n", + " PeriodicSite: S (10.91, 1.769, 14.04) [0.537, 0.08708, 0.6913]\n", + " PeriodicSite: S (11.57, 10.94, 3.507) [0.5695, 0.5384, 0.1727]\n", + " PeriodicSite: S (11.24, 11.15, 13.96) [0.5534, 0.549, 0.6874]\n", + " PeriodicSite: S (6.168, 3.717, 6.511) [0.3037, 0.183, 0.3205]\n", + " PeriodicSite: S (6.263, 3.829, 16.0) [0.3083, 0.1885, 0.7879]\n", + " PeriodicSite: S (6.385, 14.13, 6.288) [0.3143, 0.6957, 0.3096]\n", + " PeriodicSite: S (6.139, 14.25, 16.83) [0.3023, 0.7016, 0.8287]\n", + " PeriodicSite: S (16.23, 3.845, 6.104) [0.7991, 0.1893, 0.3005]\n", + " PeriodicSite: S (16.37, 3.886, 16.31) [0.806, 0.1913, 0.803]\n", + " PeriodicSite: S (16.44, 14.09, 6.322) [0.8095, 0.6938, 0.3113]\n", + " PeriodicSite: S (16.36, 14.03, 16.9) [0.8053, 0.6906, 0.832]\n", + " PeriodicSite: S (7.452, 2.585, 12.66) [0.3669, 0.1273, 0.6233]\n", + " PeriodicSite: S (7.299, 12.91, 2.792) [0.3593, 0.6354, 0.1375]\n", + " PeriodicSite: S (17.6, 2.426, 2.575) [0.8663, 0.1194, 0.1268]\n", + " PeriodicSite: S (17.24, 12.8, 2.303) [0.8488, 0.63, 0.1134]\n", + " PeriodicSite: S (17.9, 12.67, 13.2) [0.881, 0.6235, 0.6498]\n", + " PeriodicSite: S (3.825, 9.334, 9.069) [0.1883, 0.4595, 0.4465]\n", + " PeriodicSite: S (3.424, 8.901, 19.47) [0.1686, 0.4382, 0.9586]\n", + " PeriodicSite: S (3.907, 19.11, 8.976) [0.1923, 0.9407, 0.4419]\n", + " PeriodicSite: S (4.256, 19.23, 18.78) [0.2095, 0.9468, 0.9246]\n", + " PeriodicSite: S (14.21, 9.205, 8.827) [0.6996, 0.4532, 0.4346]\n", + " PeriodicSite: S (14.06, 8.952, 18.83) [0.6924, 0.4407, 0.9271]\n", + " PeriodicSite: S (13.84, 19.45, 9.371) [0.6812, 0.9576, 0.4613]\n", + " PeriodicSite: S (14.02, 19.23, 18.95) [0.6903, 0.9465, 0.9328]\n", + " PeriodicSite: S (8.502, 5.813, 1.193) [0.4186, 0.2862, 0.05876]\n", + " PeriodicSite: S (9.049, 6.726, 11.1) [0.4455, 0.3311, 0.5465]\n", + " PeriodicSite: S (8.645, 16.74, 1.154) [0.4256, 0.8242, 0.05681]\n", + " PeriodicSite: S (8.747, 15.88, 11.37) [0.4306, 0.782, 0.5597]\n", + " PeriodicSite: S (19.31, 6.296, 0.9746) [0.9506, 0.3099, 0.04799]\n", + " PeriodicSite: S (19.72, 6.973, 10.93) [0.971, 0.3433, 0.5383]\n", + " PeriodicSite: S (19.13, 16.1, 1.426) [0.9417, 0.7928, 0.07022]\n", + " PeriodicSite: S (18.92, 16.61, 11.47) [0.9315, 0.8179, 0.5649]\n", + " PeriodicSite: S (1.117, 5.621, 8.299) [0.05499, 0.2767, 0.4086]\n", + " PeriodicSite: S (1.509, 6.319, 19.17) [0.07429, 0.3111, 0.9439]\n", + " PeriodicSite: S (0.7701, 16.33, 8.895) [0.03791, 0.8042, 0.4379]\n", + " PeriodicSite: S (1.284, 16.58, 19.44) [0.06323, 0.8163, 0.9569]\n", + " PeriodicSite: S (11.05, 6.523, 8.712) [0.544, 0.3211, 0.4289]\n", + " PeriodicSite: S (10.99, 6.25, 19.44) [0.5412, 0.3077, 0.9572]\n", + " PeriodicSite: S (11.22, 16.57, 8.923) [0.5524, 0.8158, 0.4393]\n", + " PeriodicSite: S (11.01, 16.45, 19.44) [0.5418, 0.8098, 0.9572]\n", + " PeriodicSite: S (5.937, 8.638, 1.551) [0.2923, 0.4252, 0.07638]\n", + " PeriodicSite: S (6.111, 9.553, 12.02) [0.3008, 0.4703, 0.5916]\n", + " PeriodicSite: S (6.136, 19.33, 1.198) [0.3021, 0.9518, 0.05896]\n", + " PeriodicSite: S (6.013, 19.26, 11.39) [0.296, 0.9482, 0.5606]\n", + " PeriodicSite: S (16.18, 8.696, 1.016) [0.7968, 0.4281, 0.05005]\n", + " PeriodicSite: S (16.65, 9.008, 11.14) [0.8195, 0.4434, 0.5483]\n", + " PeriodicSite: S (16.35, 19.33, 1.277) [0.8048, 0.9518, 0.06285]\n", + " PeriodicSite: S (16.63, 19.18, 11.32) [0.8187, 0.9442, 0.5574]\n", + " PeriodicSite: S (7.421, 7.758, 17.38) [0.3653, 0.3819, 0.8558]\n", + " PeriodicSite: S (7.762, 17.9, 7.719) [0.3821, 0.8812, 0.38]\n", + " PeriodicSite: S (17.97, 7.759, 7.695) [0.8847, 0.382, 0.3788]\n", + " PeriodicSite: S (17.49, 17.8, 7.448) [0.8608, 0.8765, 0.3667]\n", + " PeriodicSite: P (5.086, 0.1724, 20.2) [0.2504, 0.008486, 0.9946]\n", + " PeriodicSite: P (4.867, 0.1752, 10.11) [0.2396, 0.008626, 0.4979]\n", + " PeriodicSite: P (4.74, 9.85, 0.3511) [0.2334, 0.4849, 0.01729]\n", + " PeriodicSite: P (5.05, 10.49, 10.46) [0.2486, 0.5163, 0.5151]\n", + " PeriodicSite: P (15.18, 0.1303, 20.3) [0.7472, 0.006409, 0.9993]\n", + " PeriodicSite: P (15.36, 0.0851, 10.31) [0.7563, 0.004183, 0.5075]\n", + " PeriodicSite: P (15.13, 9.966, 20.23) [0.7449, 0.4906, 0.9961]\n", + " PeriodicSite: P (15.45, 10.34, 10.03) [0.7607, 0.5091, 0.4936]\n", + " PeriodicSite: P (5.138, 4.981, 5.217) [0.253, 0.2452, 0.2569]\n", + " PeriodicSite: P (4.868, 4.919, 14.87) [0.2397, 0.2422, 0.7319]\n", + " PeriodicSite: P (4.978, 15.3, 5.205) [0.2451, 0.7533, 0.2563]\n", + " PeriodicSite: P (5.046, 15.11, 15.47) [0.2484, 0.7438, 0.7618]\n", + " PeriodicSite: P (15.26, 5.051, 4.744) [0.7511, 0.2487, 0.2336]\n", + " PeriodicSite: P (15.3, 5.25, 15.15) [0.7533, 0.2585, 0.7457]\n", + " PeriodicSite: P (15.25, 15.25, 5.036) [0.7507, 0.7508, 0.248]\n", + " PeriodicSite: P (15.25, 15.13, 15.55) [0.751, 0.7449, 0.7655]\n", + " PeriodicSite: P (20.22, 0.2847, 4.958) [0.9955, 0.01401, 0.2441]\n", + " PeriodicSite: P (20.15, 20.03, 15.17) [0.992, 0.986, 0.747]\n", + " PeriodicSite: P (19.97, 10.13, 4.964) [0.983, 0.4986, 0.2444]\n", + " PeriodicSite: P (0.3145, 9.753, 15.59) [0.01548, 0.4801, 0.7675]\n", + " PeriodicSite: P (10.05, 0.138, 5.118) [0.4948, 0.006787, 0.252]\n", + " PeriodicSite: P (10.2, 0.02656, 15.04) [0.5024, 0.001304, 0.7406]\n", + " PeriodicSite: P (10.17, 10.2, 4.893) [0.5008, 0.5021, 0.2409]\n", + " PeriodicSite: P (10.05, 10.05, 15.17) [0.4946, 0.4947, 0.7469]\n", + " PeriodicSite: P (0.2616, 5.142, 20.25) [0.01288, 0.2532, 0.9971]\n", + " PeriodicSite: P (20.21, 5.274, 9.941) [0.9949, 0.2597, 0.4894]\n", + " PeriodicSite: P (0.2465, 15.09, 0.1209) [0.01213, 0.7427, 0.005956]\n", + " PeriodicSite: P (19.97, 15.27, 10.22) [0.9833, 0.7516, 0.5034]\n", + " PeriodicSite: P (9.994, 4.9, 0.01292) [0.492, 0.2412, 0.0006392]\n", + " PeriodicSite: P (9.975, 5.38, 9.894) [0.4911, 0.2649, 0.4871]\n", + " PeriodicSite: P (9.814, 15.33, 0.2611) [0.4831, 0.7549, 0.01286]\n", + " PeriodicSite: P (10.09, 15.18, 9.971) [0.4966, 0.7472, 0.4909],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.22, 4.861, 4.33) [0.1093, 0.2393, 0.2132]\n", + " PeriodicSite: Li (1.956, 3.262, 15.39) [0.09631, 0.1606, 0.7579]\n", + " PeriodicSite: Li (0.3677, 11.84, 8.107) [0.0181, 0.5829, 0.3991]\n", + " PeriodicSite: Li (0.8059, 12.94, 16.5) [0.03968, 0.6372, 0.8124]\n", + " PeriodicSite: Li (15.06, 0.9344, 7.258) [0.7415, 0.04599, 0.3573]\n", + " PeriodicSite: Li (12.24, 3.847, 16.08) [0.6027, 0.1894, 0.7917]\n", + " PeriodicSite: Li (17.05, 12.33, 4.669) [0.8393, 0.6071, 0.2299]\n", + " PeriodicSite: Li (17.33, 8.134, 15.54) [0.8532, 0.4004, 0.7649]\n", + " PeriodicSite: Li (3.842, 4.669, 8.275) [0.1891, 0.2299, 0.4074]\n", + " PeriodicSite: Li (2.165, 0.5765, 19.22) [0.1066, 0.02838, 0.9463]\n", + " PeriodicSite: Li (4.98, 8.247, 6.896) [0.2452, 0.406, 0.3395]\n", + " PeriodicSite: Li (7.117, 9.356, 15.78) [0.3504, 0.4606, 0.7769]\n", + " PeriodicSite: Li (11.15, 6.265, 6.421) [0.5488, 0.3085, 0.3161]\n", + " PeriodicSite: Li (13.01, 3.16, 20.23) [0.6406, 0.1556, 0.9959]\n", + " PeriodicSite: Li (12.56, 9.791, 11.43) [0.6185, 0.482, 0.5626]\n", + " PeriodicSite: Li (8.992, 18.23, 19.56) [0.4427, 0.8974, 0.963]\n", + " PeriodicSite: Li (4.597, 1.683, 7.071) [0.2263, 0.08285, 0.3481]\n", + " PeriodicSite: Li (2.691, 0.1904, 16.54) [0.1325, 0.009373, 0.814]\n", + " PeriodicSite: Li (4.005, 11.21, 6.995) [0.1972, 0.5521, 0.3444]\n", + " PeriodicSite: Li (7.223, 12.18, 14.83) [0.3556, 0.5999, 0.73]\n", + " PeriodicSite: Li (11.64, 0.5347, 8.641) [0.5732, 0.02632, 0.4254]\n", + " PeriodicSite: Li (10.38, 1.986, 18.73) [0.5108, 0.09778, 0.9222]\n", + " PeriodicSite: Li (14.5, 14.4, 7.995) [0.714, 0.7089, 0.3936]\n", + " PeriodicSite: Li (12.28, 10.49, 17.89) [0.6046, 0.5166, 0.8808]\n", + " PeriodicSite: Li (0.3235, 3.142, 7.094) [0.01593, 0.1547, 0.3492]\n", + " PeriodicSite: Li (0.04581, 2.844, 17.5) [0.002259, 0.14, 0.8615]\n", + " PeriodicSite: Li (1.9, 15.28, 7.221) [0.09353, 0.7521, 0.3555]\n", + " PeriodicSite: Li (3.243, 13.09, 20.25) [0.1596, 0.6445, 0.9968]\n", + " PeriodicSite: Li (13.39, 1.887, 5.38) [0.6592, 0.09291, 0.2649]\n", + " PeriodicSite: Li (13.7, 0.1703, 16.82) [0.6743, 0.008378, 0.828]\n", + " PeriodicSite: Li (10.64, 12.14, 9.196) [0.5237, 0.5976, 0.4527]\n", + " PeriodicSite: Li (15.73, 17.38, 19.22) [0.7745, 0.8555, 0.946]\n", + " PeriodicSite: Li (7.022, 1.882, 5.087) [0.3457, 0.09264, 0.2505]\n", + " PeriodicSite: Li (2.187, 20.1, 2.081) [0.1076, 0.9896, 0.1025]\n", + " PeriodicSite: Li (2.547, 14.25, 9.968) [0.1254, 0.7017, 0.4907]\n", + " PeriodicSite: Li (2.124, 16.86, 15.15) [0.1045, 0.8302, 0.7456]\n", + " PeriodicSite: Li (14.4, 4.389, 7.848) [0.7091, 0.2161, 0.3863]\n", + " PeriodicSite: Li (15.01, 3.286, 18.65) [0.7387, 0.1618, 0.9182]\n", + " PeriodicSite: Li (17.53, 15.52, 7.575) [0.8632, 0.7641, 0.3729]\n", + " PeriodicSite: Li (10.61, 12.83, 19.63) [0.5223, 0.6316, 0.9664]\n", + " PeriodicSite: Li (5.005, 1.625, 3.163) [0.2464, 0.08, 0.1557]\n", + " PeriodicSite: Li (4.821, 1.778, 17.01) [0.2374, 0.08753, 0.8372]\n", + " PeriodicSite: Li (1.667, 13.2, 5.462) [0.08207, 0.6497, 0.2689]\n", + " PeriodicSite: Li (19.7, 12.36, 2.176) [0.9698, 0.6084, 0.1071]\n", + " PeriodicSite: Li (10.64, 3.214, 7.184) [0.5236, 0.1582, 0.3537]\n", + " PeriodicSite: Li (17.19, 19.6, 16.09) [0.8463, 0.965, 0.7921]\n", + " PeriodicSite: Li (13.42, 11.69, 3.794) [0.6606, 0.5757, 0.1868]\n", + " PeriodicSite: Li (15.99, 9.944, 17.48) [0.787, 0.4896, 0.8604]\n", + " PeriodicSite: Li (4.823, 10.73, 17.43) [0.2374, 0.5283, 0.8581]\n", + " PeriodicSite: Li (2.249, 11.02, 9.339) [0.1107, 0.5427, 0.4598]\n", + " PeriodicSite: Li (0.526, 17.84, 1.339) [0.02589, 0.8781, 0.06594]\n", + " PeriodicSite: Li (2.092, 0.4599, 9.331) [0.103, 0.02264, 0.4594]\n", + " PeriodicSite: Li (12.72, 5.058, 2.833) [0.6264, 0.249, 0.1395]\n", + " PeriodicSite: Li (12.81, 7.503, 15.07) [0.6309, 0.3694, 0.7419]\n", + " PeriodicSite: Li (10.83, 14.51, 7.257) [0.5332, 0.7143, 0.3573]\n", + " PeriodicSite: Li (13.67, 0.443, 13.4) [0.6732, 0.0218, 0.6598]\n", + " PeriodicSite: Li (3.367, 7.245, 0.08218) [0.1657, 0.3567, 0.004047]\n", + " PeriodicSite: Li (2.751, 4.983, 11.99) [0.1354, 0.2453, 0.5901]\n", + " PeriodicSite: Li (5.924, 15.93, 18.47) [0.2917, 0.7841, 0.9095]\n", + " PeriodicSite: Li (5.633, 18.21, 15.78) [0.2773, 0.8963, 0.7768]\n", + " PeriodicSite: Li (15.14, 6.651, 1.522) [0.7454, 0.3274, 0.07494]\n", + " PeriodicSite: Li (10.36, 7.815, 12.1) [0.5101, 0.3847, 0.5955]\n", + " PeriodicSite: Li (12.92, 18.69, 5.008) [0.6361, 0.92, 0.2465]\n", + " PeriodicSite: Li (11.18, 17.5, 14.09) [0.5505, 0.8618, 0.6936]\n", + " PeriodicSite: Li (1.64, 9.747, 1.318) [0.08071, 0.4798, 0.06488]\n", + " PeriodicSite: Li (5.047, 7.203, 11.77) [0.2485, 0.3546, 0.5797]\n", + " PeriodicSite: Li (3.585, 17.23, 0.2606) [0.1765, 0.8484, 0.01283]\n", + " PeriodicSite: Li (2.907, 17.31, 10.63) [0.1431, 0.8523, 0.5235]\n", + " PeriodicSite: Li (11.81, 8.841, 0.7169) [0.5816, 0.4352, 0.0353]\n", + " PeriodicSite: Li (11.78, 5.391, 12.96) [0.5797, 0.2654, 0.6381]\n", + " PeriodicSite: Li (11.97, 15.8, 3.808) [0.5891, 0.7777, 0.1875]\n", + " PeriodicSite: Li (15.22, 16.67, 12.44) [0.7493, 0.8207, 0.6123]\n", + " PeriodicSite: Li (0.04214, 7.018, 3.826) [0.002072, 0.3455, 0.1883]\n", + " PeriodicSite: Li (17.26, 6.459, 10.08) [0.8496, 0.318, 0.4963]\n", + " PeriodicSite: Li (1.578, 17.56, 4.365) [0.07766, 0.8645, 0.2149]\n", + " PeriodicSite: Li (0.8554, 19.13, 12.49) [0.04211, 0.9419, 0.6151]\n", + " PeriodicSite: Li (9.073, 7.059, 3.35) [0.4467, 0.3475, 0.1649]\n", + " PeriodicSite: Li (14.93, 8.441, 13.38) [0.7348, 0.4156, 0.6586]\n", + " PeriodicSite: Li (12.95, 15.79, 0.2415) [0.6376, 0.7773, 0.01189]\n", + " PeriodicSite: Li (12.21, 15.19, 16.96) [0.601, 0.748, 0.8351]\n", + " PeriodicSite: Li (5.077, 8.046, 3.695) [0.2499, 0.3961, 0.1819]\n", + " PeriodicSite: Li (18.38, 11.81, 10.65) [0.9048, 0.5812, 0.5241]\n", + " PeriodicSite: Li (19.02, 16.51, 4.024) [0.9364, 0.8127, 0.1981]\n", + " PeriodicSite: Li (3.837, 19.7, 13.71) [0.1889, 0.97, 0.6748]\n", + " PeriodicSite: Li (16.85, 10.12, 3.015) [0.8296, 0.4981, 0.1484]\n", + " PeriodicSite: Li (13.6, 7.279, 10.38) [0.6697, 0.3584, 0.511]\n", + " PeriodicSite: Li (12.32, 19.0, 0.3722) [0.6066, 0.9353, 0.01833]\n", + " PeriodicSite: Li (13.42, 17.16, 10.16) [0.6606, 0.8449, 0.5004]\n", + " PeriodicSite: Li (3.468, 3.283, 20.09) [0.1707, 0.1616, 0.9892]\n", + " PeriodicSite: Li (3.969, 10.08, 13.02) [0.1954, 0.4964, 0.641]\n", + " PeriodicSite: Li (4.722, 18.65, 3.35) [0.2325, 0.918, 0.1649]\n", + " PeriodicSite: Li (1.46, 15.73, 12.57) [0.07188, 0.7742, 0.6189]\n", + " PeriodicSite: Li (13.35, 8.521, 3.885) [0.6571, 0.4195, 0.1913]\n", + " PeriodicSite: Li (14.71, 5.431, 12.32) [0.7241, 0.2674, 0.6065]\n", + " PeriodicSite: Li (14.64, 17.62, 2.255) [0.7207, 0.8672, 0.111]\n", + " PeriodicSite: Li (19.14, 4.829, 13.57) [0.9424, 0.2377, 0.668]\n", + " PeriodicSite: Li (9.998, 3.229, 3.181) [0.4922, 0.1589, 0.1566]\n", + " PeriodicSite: Li (9.953, 2.057, 11.95) [0.49, 0.1013, 0.5882]\n", + " PeriodicSite: Li (7.026, 11.91, 4.609) [0.3459, 0.5866, 0.2269]\n", + " PeriodicSite: Li (3.796, 12.26, 15.41) [0.1869, 0.6036, 0.7589]\n", + " PeriodicSite: Li (18.09, 2.646, 5.033) [0.8905, 0.1303, 0.2478]\n", + " PeriodicSite: Li (13.27, 3.348, 9.792) [0.6535, 0.1648, 0.4821]\n", + " PeriodicSite: Li (18.06, 12.14, 20.29) [0.8892, 0.5977, 0.9989]\n", + " PeriodicSite: Li (17.89, 10.04, 13.33) [0.8807, 0.4944, 0.6564]\n", + " PeriodicSite: Li (5.501, 18.93, 6.783) [0.2708, 0.9318, 0.3339]\n", + " PeriodicSite: Li (8.368, 2.769, 14.65) [0.4119, 0.1363, 0.721]\n", + " PeriodicSite: Li (7.295, 13.51, 20.25) [0.3591, 0.6651, 0.997]\n", + " PeriodicSite: Li (9.91, 13.12, 13.48) [0.4879, 0.6459, 0.6639]\n", + " PeriodicSite: Li (13.26, 20.16, 2.976) [0.6528, 0.9925, 0.1465]\n", + " PeriodicSite: Li (19.24, 2.018, 10.8) [0.947, 0.09932, 0.5317]\n", + " PeriodicSite: Li (17.21, 14.82, 1.857) [0.8471, 0.7298, 0.09143]\n", + " PeriodicSite: Li (18.18, 14.95, 13.52) [0.895, 0.7362, 0.6655]\n", + " PeriodicSite: Li (8.079, 5.894, 6.465) [0.3977, 0.2902, 0.3183]\n", + " PeriodicSite: Li (7.312, 20.27, 14.22) [0.36, 0.9979, 0.7001]\n", + " PeriodicSite: Li (9.981, 12.6, 3.459) [0.4914, 0.6205, 0.1703]\n", + " PeriodicSite: Li (5.13, 13.52, 11.96) [0.2526, 0.6657, 0.5888]\n", + " PeriodicSite: Li (19.94, 2.814, 2.355) [0.9818, 0.1385, 0.116]\n", + " PeriodicSite: Li (0.9385, 8.376, 11.66) [0.0462, 0.4124, 0.5741]\n", + " PeriodicSite: Li (15.37, 13.14, 1.418) [0.7568, 0.6471, 0.0698]\n", + " PeriodicSite: Li (15.66, 11.87, 13.49) [0.7707, 0.5845, 0.6639]\n", + " PeriodicSite: Li (2.857, 0.5064, 5.378) [0.1407, 0.02493, 0.2648]\n", + " PeriodicSite: Li (5.756, 2.43, 13.92) [0.2834, 0.1196, 0.6852]\n", + " PeriodicSite: Li (5.202, 13.1, 2.698) [0.2561, 0.6451, 0.1328]\n", + " PeriodicSite: Li (8.19, 6.779, 15.24) [0.4032, 0.3337, 0.7503]\n", + " PeriodicSite: Li (17.23, 4.803, 2.09) [0.8484, 0.2365, 0.1029]\n", + " PeriodicSite: Li (17.56, 0.1691, 13.3) [0.8646, 0.008316, 0.6546]\n", + " PeriodicSite: Li (15.01, 13.79, 18.43) [0.7391, 0.6787, 0.9075]\n", + " PeriodicSite: Li (17.01, 14.27, 11.1) [0.8376, 0.7025, 0.5467]\n", + " PeriodicSite: Li (6.773, 3.603, 20.04) [0.3335, 0.1774, 0.9865]\n", + " PeriodicSite: Li (5.356, 2.724, 10.56) [0.2637, 0.1341, 0.5197]\n", + " PeriodicSite: Li (7.418, 10.86, 1.632) [0.3652, 0.5346, 0.08034]\n", + " PeriodicSite: Li (7.996, 10.98, 11.05) [0.3937, 0.5406, 0.5442]\n", + " PeriodicSite: Li (15.59, 1.971, 3.751) [0.7674, 0.09705, 0.1847]\n", + " PeriodicSite: Li (16.45, 3.386, 10.96) [0.8096, 0.1667, 0.5397]\n", + " PeriodicSite: Li (0.6323, 10.11, 18.53) [0.03113, 0.4979, 0.9122]\n", + " PeriodicSite: Li (0.0667, 12.61, 13.38) [0.003282, 0.6207, 0.6585]\n", + " PeriodicSite: Li (8.163, 1.111, 0.7204) [0.4019, 0.05469, 0.03547]\n", + " PeriodicSite: Li (7.649, 0.8212, 10.73) [0.3766, 0.04043, 0.5285]\n", + " PeriodicSite: Li (7.598, 14.48, 4.048) [0.3741, 0.7129, 0.1993]\n", + " PeriodicSite: Li (4.732, 16.35, 12.41) [0.233, 0.8049, 0.611]\n", + " PeriodicSite: Li (15.89, 2.597, 0.8849) [0.7821, 0.1278, 0.04357]\n", + " PeriodicSite: Li (1.848, 6.97, 14.89) [0.091, 0.3432, 0.733]\n", + " PeriodicSite: Li (4.824, 13.91, 8.242) [0.2375, 0.6849, 0.4058]\n", + " PeriodicSite: Li (13.62, 13.82, 10.77) [0.6705, 0.6803, 0.5303]\n", + " PeriodicSite: Li (13.2, 10.58, 6.952) [0.6499, 0.5208, 0.3422]\n", + " PeriodicSite: Li (5.369, 7.885, 15.87) [0.2643, 0.3882, 0.7814]\n", + " PeriodicSite: Li (7.588, 14.47, 10.76) [0.3736, 0.7123, 0.53]\n", + " PeriodicSite: Li (2.965, 14.99, 18.24) [0.1459, 0.7381, 0.8981]\n", + " PeriodicSite: Li (16.73, 10.09, 6.888) [0.8238, 0.4965, 0.3391]\n", + " PeriodicSite: Li (2.933, 4.899, 18.36) [0.1444, 0.2412, 0.904]\n", + " PeriodicSite: Li (16.96, 19.06, 5.546) [0.835, 0.9383, 0.273]\n", + " PeriodicSite: Li (19.77, 18.42, 18.84) [0.9732, 0.9069, 0.9276]\n", + " PeriodicSite: Li (7.194, 9.773, 6.233) [0.3541, 0.4812, 0.3069]\n", + " PeriodicSite: Li (9.272, 5.47, 17.44) [0.4565, 0.2693, 0.8586]\n", + " PeriodicSite: Li (8.346, 20.1, 7.921) [0.4109, 0.9895, 0.39]\n", + " PeriodicSite: Li (8.01, 15.88, 15.57) [0.3943, 0.7816, 0.7663]\n", + " PeriodicSite: Li (18.29, 9.274, 9.256) [0.9006, 0.4566, 0.4557]\n", + " PeriodicSite: Li (16.92, 5.512, 18.77) [0.833, 0.2713, 0.9239]\n", + " PeriodicSite: Li (17.97, 19.49, 9.604) [0.8848, 0.9597, 0.4728]\n", + " PeriodicSite: Li (18.54, 16.05, 16.54) [0.9129, 0.7899, 0.8142]\n", + " PeriodicSite: Li (7.29, 5.733, 9.205) [0.3589, 0.2822, 0.4531]\n", + " PeriodicSite: Li (5.909, 5.615, 18.21) [0.2909, 0.2764, 0.8963]\n", + " PeriodicSite: Li (9.318, 17.74, 9.486) [0.4587, 0.8733, 0.467]\n", + " PeriodicSite: Li (12.81, 12.45, 15.29) [0.6304, 0.6127, 0.7525]\n", + " PeriodicSite: Li (20.0, 7.649, 7.792) [0.9848, 0.3766, 0.3836]\n", + " PeriodicSite: Li (19.96, 5.985, 17.24) [0.9828, 0.2946, 0.8489]\n", + " PeriodicSite: Li (17.0, 16.89, 9.816) [0.8367, 0.8313, 0.4833]\n", + " PeriodicSite: Li (17.5, 15.43, 19.25) [0.8615, 0.7597, 0.9479]\n", + " PeriodicSite: Li (9.771, 8.831, 8.164) [0.4811, 0.4347, 0.4019]\n", + " PeriodicSite: Li (5.963, 4.94, 2.069) [0.2935, 0.2432, 0.1018]\n", + " PeriodicSite: Li (5.96, 17.57, 9.835) [0.2934, 0.8651, 0.4842]\n", + " PeriodicSite: Li (6.471, 15.46, 1.4) [0.3185, 0.7611, 0.06891]\n", + " PeriodicSite: Li (15.33, 7.314, 8.628) [0.7548, 0.3601, 0.4248]\n", + " PeriodicSite: Li (18.35, 8.362, 20.29) [0.9032, 0.4117, 0.9987]\n", + " PeriodicSite: Li (15.33, 18.12, 7.283) [0.7546, 0.8921, 0.3585]\n", + " PeriodicSite: Li (14.27, 18.43, 15.1) [0.7023, 0.9071, 0.7436]\n", + " PeriodicSite: Li (7.027, 4.566, 12.01) [0.346, 0.2248, 0.591]\n", + " PeriodicSite: Li (7.354, 7.558, 20.08) [0.3621, 0.3721, 0.9887]\n", + " PeriodicSite: Li (9.14, 17.57, 5.896) [0.4499, 0.865, 0.2903]\n", + " PeriodicSite: Li (10.24, 18.46, 2.33) [0.5041, 0.9087, 0.1147]\n", + " PeriodicSite: Li (16.08, 8.009, 5.337) [0.7916, 0.3943, 0.2627]\n", + " PeriodicSite: Li (13.82, 6.33, 18.83) [0.6806, 0.3116, 0.9269]\n", + " PeriodicSite: Li (19.88, 18.29, 7.404) [0.9786, 0.9005, 0.3645]\n", + " PeriodicSite: Li (18.23, 0.427, 1.644) [0.8974, 0.02101, 0.08094]\n", + " PeriodicSite: Li (2.707, 9.513, 4.675) [0.1333, 0.4683, 0.2302]\n", + " PeriodicSite: Li (9.17, 9.288, 17.84) [0.4515, 0.4572, 0.8781]\n", + " PeriodicSite: Li (7.39, 15.63, 7.411) [0.3638, 0.7693, 0.3648]\n", + " PeriodicSite: Li (7.311, 0.06528, 17.11) [0.3599, 0.003212, 0.8426]\n", + " PeriodicSite: Li (18.09, 5.727, 6.881) [0.8908, 0.2819, 0.3387]\n", + " PeriodicSite: Li (17.57, 12.02, 15.38) [0.8652, 0.5918, 0.7573]\n", + " PeriodicSite: Li (3.343, 15.25, 2.13) [0.1646, 0.7508, 0.1049]\n", + " PeriodicSite: Li (16.08, 2.317, 14.43) [0.7917, 0.1141, 0.7104]\n", + " PeriodicSite: Cl (7.779, 13.08, 12.46) [0.383, 0.6441, 0.6132]\n", + " PeriodicSite: Cl (2.937, 12.8, 17.75) [0.1446, 0.6302, 0.8737]\n", + " PeriodicSite: Cl (12.99, 17.76, 12.8) [0.6394, 0.8745, 0.6304]\n", + " PeriodicSite: Cl (17.64, 7.466, 17.86) [0.8682, 0.3676, 0.8793]\n", + " PeriodicSite: Cl (7.459, 2.741, 2.568) [0.3672, 0.1349, 0.1264]\n", + " PeriodicSite: Cl (7.42, 7.815, 7.618) [0.3653, 0.3847, 0.3751]\n", + " PeriodicSite: Cl (12.66, 12.83, 7.636) [0.6231, 0.6318, 0.3759]\n", + " PeriodicSite: Cl (2.427, 7.622, 3.012) [0.1195, 0.3752, 0.1483]\n", + " PeriodicSite: Cl (2.803, 7.399, 12.78) [0.138, 0.3643, 0.6291]\n", + " PeriodicSite: Cl (12.33, 12.91, 17.6) [0.607, 0.6355, 0.8666]\n", + " PeriodicSite: Cl (17.76, 17.55, 18.09) [0.8742, 0.864, 0.8905]\n", + " PeriodicSite: Cl (2.266, 1.869, 7.331) [0.1116, 0.09199, 0.3609]\n", + " PeriodicSite: Cl (12.48, 2.527, 17.84) [0.6144, 0.1244, 0.8781]\n", + " PeriodicSite: Cl (12.18, 7.312, 2.349) [0.5997, 0.36, 0.1157]\n", + " PeriodicSite: Cl (18.01, 2.657, 12.75) [0.8866, 0.1308, 0.6279]\n", + " PeriodicSite: Cl (7.357, 17.76, 17.4) [0.3622, 0.8743, 0.8565]\n", + " PeriodicSite: Cl (0.09757, 20.26, 0.2134) [0.004794, 0.9977, 0.01051]\n", + " PeriodicSite: Cl (20.12, 20.08, 10.6) [0.9905, 0.9884, 0.5221]\n", + " PeriodicSite: Cl (19.91, 10.46, 0.1358) [0.9803, 0.5151, 0.006691]\n", + " PeriodicSite: Cl (20.15, 10.61, 10.05) [0.9919, 0.5226, 0.4949]\n", + " PeriodicSite: Cl (10.22, 0.01385, 0.163) [0.5031, 0.0006773, 0.008026]\n", + " PeriodicSite: Cl (9.797, 0.2063, 10.13) [0.4823, 0.01015, 0.4989]\n", + " PeriodicSite: Cl (10.53, 10.49, 19.59) [0.5186, 0.5166, 0.9643]\n", + " PeriodicSite: Cl (10.25, 10.12, 10.17) [0.5046, 0.4984, 0.5006]\n", + " PeriodicSite: Cl (19.93, 4.624, 5.263) [0.9813, 0.2276, 0.2591]\n", + " PeriodicSite: Cl (0.4021, 4.929, 15.17) [0.0198, 0.2427, 0.7468]\n", + " PeriodicSite: Cl (0.5049, 15.24, 5.221) [0.02485, 0.7501, 0.257]\n", + " PeriodicSite: Cl (20.28, 14.8, 14.95) [0.9982, 0.7286, 0.7362]\n", + " PeriodicSite: Cl (10.06, 4.91, 4.951) [0.4951, 0.2417, 0.2438]\n", + " PeriodicSite: Cl (10.19, 5.148, 15.42) [0.5018, 0.2534, 0.7591]\n", + " PeriodicSite: Cl (9.839, 15.25, 5.073) [0.4844, 0.7506, 0.2497]\n", + " PeriodicSite: Cl (10.4, 14.97, 14.93) [0.5121, 0.7368, 0.7352]\n", + " PeriodicSite: S (5.043, 0.2773, 5.073) [0.2483, 0.01365, 0.2498]\n", + " PeriodicSite: S (5.151, 20.31, 15.56) [0.2536, 1.0, 0.7659]\n", + " PeriodicSite: S (5.106, 9.94, 5.357) [0.2513, 0.4893, 0.2638]\n", + " PeriodicSite: S (5.261, 10.25, 15.07) [0.259, 0.5045, 0.7421]\n", + " PeriodicSite: S (14.67, 0.005736, 5.173) [0.7223, 0.000276, 0.2547]\n", + " PeriodicSite: S (15.42, 0.304, 14.99) [0.7592, 0.01496, 0.7382]\n", + " PeriodicSite: S (15.03, 10.28, 5.12) [0.7401, 0.5063, 0.2521]\n", + " PeriodicSite: S (15.99, 10.06, 14.93) [0.7872, 0.4955, 0.7348]\n", + " PeriodicSite: S (4.81, 4.971, 20.17) [0.2368, 0.2447, 0.993]\n", + " PeriodicSite: S (5.1, 5.122, 10.19) [0.2511, 0.2521, 0.5014]\n", + " PeriodicSite: S (4.638, 15.02, 0.0769) [0.2283, 0.7394, 0.003788]\n", + " PeriodicSite: S (4.928, 15.37, 10.29) [0.2426, 0.7565, 0.5067]\n", + " PeriodicSite: S (15.1, 4.877, 0.01137) [0.7435, 0.2401, 0.0005643]\n", + " PeriodicSite: S (14.93, 5.143, 9.967) [0.7351, 0.2532, 0.4907]\n", + " PeriodicSite: S (15.49, 15.28, 0.1259) [0.7623, 0.7525, 0.006206]\n", + " PeriodicSite: S (15.1, 15.36, 10.23) [0.7433, 0.7564, 0.5036]\n", + " PeriodicSite: S (9.02, 4.308, 8.486) [0.4441, 0.2121, 0.4178]\n", + " PeriodicSite: S (8.792, 4.063, 19.0) [0.4328, 0.2, 0.9353]\n", + " PeriodicSite: S (9.01, 13.88, 8.876) [0.4436, 0.6832, 0.437]\n", + " PeriodicSite: S (9.094, 14.43, 18.93) [0.4477, 0.7104, 0.9321]\n", + " PeriodicSite: S (18.68, 4.028, 9.238) [0.9197, 0.1983, 0.4548]\n", + " PeriodicSite: S (18.93, 4.251, 18.85) [0.932, 0.2093, 0.9279]\n", + " PeriodicSite: S (18.93, 13.89, 8.86) [0.9318, 0.6839, 0.4362]\n", + " PeriodicSite: S (19.5, 14.02, 19.09) [0.9602, 0.6901, 0.94]\n", + " PeriodicSite: S (3.849, 1.139, 1.109) [0.1895, 0.05606, 0.0546]\n", + " PeriodicSite: S (3.554, 1.222, 10.98) [0.175, 0.06018, 0.5407]\n", + " PeriodicSite: S (3.715, 11.31, 1.817) [0.1829, 0.5566, 0.08944]\n", + " PeriodicSite: S (3.533, 11.8, 11.21) [0.1739, 0.5809, 0.5521]\n", + " PeriodicSite: S (13.8, 1.205, 1.02) [0.6795, 0.05932, 0.05021]\n", + " PeriodicSite: S (14.4, 1.634, 11.66) [0.7089, 0.08045, 0.5741]\n", + " PeriodicSite: S (13.7, 11.22, 1.058) [0.6745, 0.5524, 0.05211]\n", + " PeriodicSite: S (14.44, 11.39, 11.47) [0.7107, 0.5607, 0.5649]\n", + " PeriodicSite: S (6.066, 0.9605, 8.887) [0.2987, 0.04729, 0.4375]\n", + " PeriodicSite: S (6.516, 1.132, 19.25) [0.3208, 0.05573, 0.9478]\n", + " PeriodicSite: S (6.221, 11.75, 9.066) [0.3062, 0.5785, 0.4463]\n", + " PeriodicSite: S (6.252, 11.12, 19.77) [0.3078, 0.5476, 0.9733]\n", + " PeriodicSite: S (16.66, 1.382, 9.373) [0.8201, 0.06801, 0.4614]\n", + " PeriodicSite: S (16.4, 1.204, 19.11) [0.8073, 0.05927, 0.941]\n", + " PeriodicSite: S (16.85, 11.22, 9.139) [0.8294, 0.5525, 0.4499]\n", + " PeriodicSite: S (16.06, 11.55, 19.29) [0.7907, 0.5685, 0.9495]\n", + " PeriodicSite: S (1.038, 4.111, 1.001) [0.0511, 0.2024, 0.04928]\n", + " PeriodicSite: S (0.7689, 3.759, 11.4) [0.03786, 0.1851, 0.5612]\n", + " PeriodicSite: S (1.447, 13.84, 1.22) [0.07123, 0.6813, 0.06006]\n", + " PeriodicSite: S (0.754, 14.04, 11.41) [0.03712, 0.6914, 0.562]\n", + " PeriodicSite: S (11.01, 3.801, 1.151) [0.5419, 0.1871, 0.05665]\n", + " PeriodicSite: S (11.02, 4.057, 11.21) [0.5428, 0.1997, 0.5517]\n", + " PeriodicSite: S (11.14, 14.47, 1.297) [0.5483, 0.7125, 0.06388]\n", + " PeriodicSite: S (11.2, 13.44, 11.15) [0.5514, 0.6617, 0.5489]\n", + " PeriodicSite: S (2.512, 2.433, 17.57) [0.1236, 0.1198, 0.865]\n", + " PeriodicSite: S (2.568, 12.92, 7.692) [0.1264, 0.636, 0.3787]\n", + " PeriodicSite: S (12.77, 2.634, 7.695) [0.6285, 0.1297, 0.3788]\n", + " PeriodicSite: S (8.369, 9.08, 3.785) [0.412, 0.447, 0.1863]\n", + " PeriodicSite: S (8.993, 8.815, 13.88) [0.4427, 0.434, 0.6835]\n", + " PeriodicSite: S (8.904, 19.22, 4.246) [0.4384, 0.9464, 0.2091]\n", + " PeriodicSite: S (9.469, 19.24, 13.66) [0.4662, 0.9474, 0.6727]\n", + " PeriodicSite: S (18.82, 8.846, 4.407) [0.9264, 0.4355, 0.217]\n", + " PeriodicSite: S (19.54, 8.628, 14.11) [0.9622, 0.4248, 0.6946]\n", + " PeriodicSite: S (18.9, 18.94, 4.074) [0.9305, 0.9322, 0.2006]\n", + " PeriodicSite: S (19.08, 18.9, 14.23) [0.9395, 0.9304, 0.7004]\n", + " PeriodicSite: S (4.001, 6.311, 6.462) [0.197, 0.3107, 0.3181]\n", + " PeriodicSite: S (4.021, 6.041, 16.39) [0.198, 0.2974, 0.807]\n", + " PeriodicSite: S (3.912, 16.5, 6.129) [0.1926, 0.8125, 0.3017]\n", + " PeriodicSite: S (3.975, 16.49, 16.63) [0.1957, 0.8119, 0.8187]\n", + " PeriodicSite: S (14.0, 6.25, 6.346) [0.6893, 0.3077, 0.3124]\n", + " PeriodicSite: S (14.58, 6.698, 16.47) [0.7177, 0.3297, 0.8109]\n", + " PeriodicSite: S (13.69, 16.39, 5.962) [0.6742, 0.8071, 0.2935]\n", + " PeriodicSite: S (14.17, 16.53, 16.59) [0.6974, 0.814, 0.8166]\n", + " PeriodicSite: S (6.749, 6.565, 4.523) [0.3322, 0.3232, 0.2227]\n", + " PeriodicSite: S (6.14, 6.102, 13.94) [0.3023, 0.3004, 0.6861]\n", + " PeriodicSite: S (6.01, 16.21, 3.728) [0.2959, 0.7982, 0.1836]\n", + " PeriodicSite: S (6.206, 16.61, 14.13) [0.3055, 0.8176, 0.6957]\n", + " PeriodicSite: S (16.15, 6.387, 3.662) [0.7952, 0.3144, 0.1803]\n", + " PeriodicSite: S (16.53, 6.114, 13.92) [0.8138, 0.301, 0.6851]\n", + " PeriodicSite: S (16.36, 16.48, 4.101) [0.8054, 0.8115, 0.2019]\n", + " PeriodicSite: S (16.51, 16.89, 14.57) [0.8129, 0.8313, 0.7174]\n", + " PeriodicSite: S (1.099, 9.435, 6.529) [0.05412, 0.4645, 0.3214]\n", + " PeriodicSite: S (1.287, 8.736, 16.73) [0.06337, 0.4301, 0.8236]\n", + " PeriodicSite: S (1.369, 19.08, 6.058) [0.06739, 0.9395, 0.2983]\n", + " PeriodicSite: S (1.013, 18.99, 16.8) [0.04988, 0.9348, 0.827]\n", + " PeriodicSite: S (10.87, 8.525, 6.085) [0.535, 0.4197, 0.2996]\n", + " PeriodicSite: S (11.22, 8.845, 16.39) [0.5522, 0.4355, 0.8068]\n", + " PeriodicSite: S (11.25, 19.4, 6.637) [0.5539, 0.9552, 0.3268]\n", + " PeriodicSite: S (11.72, 19.16, 16.17) [0.5769, 0.9435, 0.7962]\n", + " PeriodicSite: S (2.57, 17.88, 2.345) [0.1265, 0.8804, 0.1155]\n", + " PeriodicSite: S (2.808, 17.52, 12.89) [0.1382, 0.8628, 0.6347]\n", + " PeriodicSite: S (12.71, 7.534, 12.51) [0.626, 0.3709, 0.6158]\n", + " PeriodicSite: S (12.46, 17.91, 2.773) [0.6136, 0.8816, 0.1365]\n", + " PeriodicSite: S (4.259, 4.169, 3.905) [0.2097, 0.2053, 0.1923]\n", + " PeriodicSite: S (3.818, 3.612, 13.95) [0.188, 0.1778, 0.6867]\n", + " PeriodicSite: S (3.67, 13.91, 3.917) [0.1807, 0.6849, 0.1928]\n", + " PeriodicSite: S (3.698, 14.31, 14.16) [0.182, 0.7046, 0.6971]\n", + " PeriodicSite: S (14.11, 3.739, 3.894) [0.6947, 0.1841, 0.1917]\n", + " PeriodicSite: S (14.01, 4.085, 14.38) [0.6899, 0.2011, 0.7081]\n", + " PeriodicSite: S (13.8, 14.12, 3.644) [0.6793, 0.6949, 0.1794]\n", + " PeriodicSite: S (14.66, 14.12, 14.27) [0.722, 0.6952, 0.7025]\n", + " PeriodicSite: S (8.96, 1.5, 6.281) [0.4411, 0.07384, 0.3092]\n", + " PeriodicSite: S (9.076, 1.078, 16.19) [0.4468, 0.05306, 0.7971]\n", + " PeriodicSite: S (9.342, 11.52, 5.904) [0.4599, 0.5671, 0.2907]\n", + " PeriodicSite: S (9.063, 11.35, 15.98) [0.4462, 0.5587, 0.7869]\n", + " PeriodicSite: S (19.15, 0.8105, 6.435) [0.943, 0.03989, 0.3168]\n", + " PeriodicSite: S (19.11, 1.08, 16.56) [0.9409, 0.05314, 0.8155]\n", + " PeriodicSite: S (18.98, 11.72, 6.149) [0.9346, 0.577, 0.3027]\n", + " PeriodicSite: S (19.48, 11.12, 16.74) [0.9589, 0.5474, 0.8242]\n", + " PeriodicSite: S (1.032, 1.171, 3.766) [0.05081, 0.05767, 0.1854]\n", + " PeriodicSite: S (1.418, 0.691, 14.37) [0.06981, 0.03402, 0.7074]\n", + " PeriodicSite: S (0.9502, 11.05, 3.681) [0.04677, 0.5441, 0.1812]\n", + " PeriodicSite: S (1.637, 11.23, 14.39) [0.08061, 0.5529, 0.7086]\n", + " PeriodicSite: S (11.49, 1.289, 4.009) [0.5658, 0.06346, 0.1974]\n", + " PeriodicSite: S (11.57, 1.537, 13.94) [0.5697, 0.07568, 0.6861]\n", + " PeriodicSite: S (11.36, 10.48, 3.359) [0.5595, 0.516, 0.1654]\n", + " PeriodicSite: S (11.5, 11.19, 13.64) [0.5663, 0.5507, 0.6713]\n", + " PeriodicSite: S (6.31, 3.81, 6.52) [0.3106, 0.1876, 0.321]\n", + " PeriodicSite: S (6.289, 3.769, 16.19) [0.3096, 0.1856, 0.7969]\n", + " PeriodicSite: S (6.189, 13.92, 6.206) [0.3047, 0.6851, 0.3055]\n", + " PeriodicSite: S (6.377, 14.16, 16.21) [0.314, 0.6973, 0.7979]\n", + " PeriodicSite: S (16.37, 3.989, 6.248) [0.8059, 0.1964, 0.3076]\n", + " PeriodicSite: S (16.52, 3.845, 16.47) [0.8133, 0.1893, 0.8107]\n", + " PeriodicSite: S (15.97, 13.96, 6.224) [0.7863, 0.6872, 0.3064]\n", + " PeriodicSite: S (16.69, 14.25, 16.86) [0.8214, 0.7016, 0.8301]\n", + " PeriodicSite: S (7.662, 2.37, 12.51) [0.3772, 0.1167, 0.6156]\n", + " PeriodicSite: S (7.42, 13.04, 2.373) [0.3653, 0.6417, 0.1168]\n", + " PeriodicSite: S (17.68, 2.54, 2.376) [0.8703, 0.1251, 0.117]\n", + " PeriodicSite: S (17.52, 12.43, 2.306) [0.8627, 0.6119, 0.1135]\n", + " PeriodicSite: S (17.84, 12.61, 12.83) [0.8785, 0.6206, 0.6318]\n", + " PeriodicSite: S (3.743, 9.109, 9.227) [0.1843, 0.4485, 0.4542]\n", + " PeriodicSite: S (3.426, 9.457, 19.4) [0.1687, 0.4656, 0.9549]\n", + " PeriodicSite: S (3.822, 19.0, 8.749) [0.1882, 0.9354, 0.4307]\n", + " PeriodicSite: S (4.051, 19.16, 19.14) [0.1994, 0.9435, 0.9424]\n", + " PeriodicSite: S (14.13, 9.106, 9.279) [0.6955, 0.4483, 0.4568]\n", + " PeriodicSite: S (14.03, 8.958, 19.01) [0.6909, 0.441, 0.936]\n", + " PeriodicSite: S (13.95, 19.64, 9.319) [0.687, 0.9668, 0.4588]\n", + " PeriodicSite: S (13.88, 19.14, 19.07) [0.6832, 0.9423, 0.9389]\n", + " PeriodicSite: S (8.614, 6.143, 1.22) [0.4241, 0.3024, 0.06008]\n", + " PeriodicSite: S (8.832, 6.184, 11.34) [0.4348, 0.3044, 0.5582]\n", + " PeriodicSite: S (8.795, 16.74, 1.193) [0.433, 0.8243, 0.05875]\n", + " PeriodicSite: S (9.028, 16.36, 11.27) [0.4445, 0.8054, 0.5549]\n", + " PeriodicSite: S (18.9, 6.227, 1.052) [0.9305, 0.3066, 0.05182]\n", + " PeriodicSite: S (19.65, 6.832, 10.77) [0.9674, 0.3363, 0.5302]\n", + " PeriodicSite: S (19.24, 16.38, 1.311) [0.9473, 0.8064, 0.06456]\n", + " PeriodicSite: S (18.63, 16.08, 11.41) [0.917, 0.7918, 0.5618]\n", + " PeriodicSite: S (1.299, 5.43, 8.367) [0.06394, 0.2673, 0.4119]\n", + " PeriodicSite: S (1.114, 6.579, 19.12) [0.05486, 0.3239, 0.9411]\n", + " PeriodicSite: S (1.023, 16.5, 9.338) [0.05034, 0.8122, 0.4597]\n", + " PeriodicSite: S (1.266, 16.57, 19.43) [0.06234, 0.8156, 0.9566]\n", + " PeriodicSite: S (11.24, 6.692, 8.839) [0.5531, 0.3294, 0.4351]\n", + " PeriodicSite: S (11.29, 6.426, 19.39) [0.556, 0.3164, 0.9547]\n", + " PeriodicSite: S (11.52, 16.11, 8.908) [0.5671, 0.7932, 0.4386]\n", + " PeriodicSite: S (11.17, 16.8, 19.33) [0.5498, 0.8269, 0.9515]\n", + " PeriodicSite: S (5.676, 8.548, 1.385) [0.2795, 0.4208, 0.06819]\n", + " PeriodicSite: S (5.954, 9.468, 11.63) [0.2931, 0.4661, 0.5724]\n", + " PeriodicSite: S (6.419, 19.2, 1.417) [0.316, 0.9454, 0.06974]\n", + " PeriodicSite: S (5.943, 19.14, 11.39) [0.2926, 0.9424, 0.561]\n", + " PeriodicSite: S (16.25, 8.765, 1.046) [0.8001, 0.4315, 0.05151]\n", + " PeriodicSite: S (16.85, 8.825, 11.18) [0.8295, 0.4345, 0.5504]\n", + " PeriodicSite: S (16.21, 18.9, 0.9835) [0.7979, 0.9307, 0.04842]\n", + " PeriodicSite: S (16.31, 19.03, 11.4) [0.8031, 0.9366, 0.5613]\n", + " PeriodicSite: S (7.465, 7.426, 17.43) [0.3675, 0.3656, 0.8582]\n", + " PeriodicSite: S (7.61, 17.92, 7.772) [0.3746, 0.8824, 0.3826]\n", + " PeriodicSite: S (17.27, 7.775, 7.663) [0.8503, 0.3828, 0.3773]\n", + " PeriodicSite: S (17.63, 17.88, 7.677) [0.8678, 0.8802, 0.3779]\n", + " PeriodicSite: P (5.243, 20.24, 0.1685) [0.2581, 0.9965, 0.0083]\n", + " PeriodicSite: P (4.818, 20.19, 10.16) [0.2372, 0.9939, 0.5004]\n", + " PeriodicSite: P (4.766, 10.13, 0.5126) [0.2346, 0.4987, 0.02524]\n", + " PeriodicSite: P (4.927, 10.49, 10.21) [0.2425, 0.5165, 0.5026]\n", + " PeriodicSite: P (15.16, 20.26, 20.15) [0.7462, 0.9974, 0.992]\n", + " PeriodicSite: P (15.37, 0.2394, 10.46) [0.7569, 0.01178, 0.515]\n", + " PeriodicSite: P (15.02, 10.11, 0.02174) [0.7392, 0.4976, 0.001075]\n", + " PeriodicSite: P (15.6, 10.13, 10.29) [0.768, 0.4987, 0.5068]\n", + " PeriodicSite: P (5.374, 5.162, 5.343) [0.2645, 0.2542, 0.263]\n", + " PeriodicSite: P (4.989, 4.834, 15.08) [0.2456, 0.238, 0.7423]\n", + " PeriodicSite: P (4.912, 15.14, 5.086) [0.2418, 0.7454, 0.2504]\n", + " PeriodicSite: P (5.035, 15.34, 15.26) [0.2479, 0.7553, 0.7512]\n", + " PeriodicSite: P (15.2, 5.118, 5.055) [0.7481, 0.252, 0.2489]\n", + " PeriodicSite: P (15.45, 5.177, 15.42) [0.7605, 0.2548, 0.7592]\n", + " PeriodicSite: P (14.98, 15.27, 4.963) [0.7372, 0.752, 0.2443]\n", + " PeriodicSite: P (15.48, 15.36, 15.64) [0.7622, 0.7562, 0.77]\n", + " PeriodicSite: P (20.17, 20.13, 5.037) [0.9929, 0.9909, 0.248]\n", + " PeriodicSite: P (20.24, 20.12, 15.46) [0.9965, 0.9907, 0.761]\n", + " PeriodicSite: P (20.07, 10.27, 5.169) [0.9882, 0.5056, 0.2545]\n", + " PeriodicSite: P (0.3653, 9.962, 15.48) [0.01798, 0.4905, 0.7622]\n", + " PeriodicSite: P (10.21, 0.1591, 5.228) [0.5027, 0.007828, 0.2574]\n", + " PeriodicSite: P (10.55, 0.04906, 14.96) [0.5196, 0.002412, 0.7365]\n", + " PeriodicSite: P (10.0, 9.822, 4.784) [0.4925, 0.4836, 0.2355]\n", + " PeriodicSite: P (10.19, 10.06, 14.94) [0.5016, 0.4953, 0.7357]\n", + " PeriodicSite: P (20.17, 5.228, 20.14) [0.993, 0.2574, 0.9913]\n", + " PeriodicSite: P (0.07398, 5.072, 9.953) [0.003642, 0.2497, 0.49]\n", + " PeriodicSite: P (0.2274, 15.16, 0.1837) [0.01119, 0.7462, 0.009043]\n", + " PeriodicSite: P (19.94, 15.15, 10.19) [0.9817, 0.7458, 0.5018]\n", + " PeriodicSite: P (9.919, 5.17, 0.04043) [0.4883, 0.2545, 0.001994]\n", + " PeriodicSite: P (9.993, 5.312, 9.957) [0.492, 0.2615, 0.4902]\n", + " PeriodicSite: P (9.978, 15.58, 0.01745) [0.4912, 0.7668, 0.0008633]\n", + " PeriodicSite: P (10.26, 15.02, 10.2) [0.5049, 0.7396, 0.5023],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.971, 5.273, 3.805) [0.09703, 0.2596, 0.1873]\n", + " PeriodicSite: Li (2.017, 3.438, 15.6) [0.09931, 0.1693, 0.7678]\n", + " PeriodicSite: Li (0.06474, 12.24, 7.764) [0.003184, 0.6025, 0.3823]\n", + " PeriodicSite: Li (0.3789, 13.36, 16.19) [0.01865, 0.6577, 0.797]\n", + " PeriodicSite: Li (15.13, 1.24, 7.282) [0.7447, 0.06105, 0.3585]\n", + " PeriodicSite: Li (12.18, 3.552, 15.46) [0.5996, 0.1749, 0.7609]\n", + " PeriodicSite: Li (17.1, 12.63, 4.861) [0.8416, 0.622, 0.2393]\n", + " PeriodicSite: Li (17.49, 8.396, 15.54) [0.8608, 0.4133, 0.7651]\n", + " PeriodicSite: Li (3.79, 4.8, 8.637) [0.1866, 0.2363, 0.4252]\n", + " PeriodicSite: Li (2.391, 0.441, 19.49) [0.1177, 0.02171, 0.9595]\n", + " PeriodicSite: Li (5.195, 8.575, 7.041) [0.2558, 0.4221, 0.3467]\n", + " PeriodicSite: Li (7.264, 9.361, 15.65) [0.3576, 0.4609, 0.7704]\n", + " PeriodicSite: Li (11.78, 5.676, 6.983) [0.5799, 0.2794, 0.3438]\n", + " PeriodicSite: Li (12.85, 2.768, 20.18) [0.6326, 0.1363, 0.9934]\n", + " PeriodicSite: Li (12.43, 9.526, 12.03) [0.6121, 0.4689, 0.5924]\n", + " PeriodicSite: Li (9.069, 18.38, 19.22) [0.4465, 0.9047, 0.9463]\n", + " PeriodicSite: Li (4.814, 2.016, 6.98) [0.237, 0.09923, 0.3437]\n", + " PeriodicSite: Li (3.119, 0.5534, 16.59) [0.1535, 0.02724, 0.8168]\n", + " PeriodicSite: Li (4.107, 11.65, 6.85) [0.2022, 0.5734, 0.3372]\n", + " PeriodicSite: Li (6.741, 11.89, 14.58) [0.3319, 0.5855, 0.7179]\n", + " PeriodicSite: Li (12.02, 0.56, 8.733) [0.5918, 0.02756, 0.43]\n", + " PeriodicSite: Li (10.46, 2.18, 18.38) [0.5151, 0.1073, 0.9051]\n", + " PeriodicSite: Li (13.86, 15.01, 8.124) [0.6822, 0.739, 0.4]\n", + " PeriodicSite: Li (11.81, 10.62, 18.08) [0.5813, 0.5228, 0.8902]\n", + " PeriodicSite: Li (0.1231, 3.57, 7.209) [0.006059, 0.1757, 0.3549]\n", + " PeriodicSite: Li (0.4617, 2.846, 18.17) [0.02273, 0.1401, 0.8945]\n", + " PeriodicSite: Li (1.603, 15.45, 7.262) [0.07892, 0.7604, 0.3575]\n", + " PeriodicSite: Li (3.196, 13.03, 20.12) [0.1573, 0.6413, 0.9905]\n", + " PeriodicSite: Li (13.52, 1.551, 5.335) [0.6658, 0.07634, 0.2626]\n", + " PeriodicSite: Li (13.47, 0.06564, 16.57) [0.6633, 0.003227, 0.8159]\n", + " PeriodicSite: Li (10.95, 11.98, 9.821) [0.5393, 0.59, 0.4835]\n", + " PeriodicSite: Li (15.67, 17.43, 19.08) [0.7715, 0.8579, 0.9392]\n", + " PeriodicSite: Li (7.363, 0.4748, 4.967) [0.3625, 0.02337, 0.2445]\n", + " PeriodicSite: Li (2.009, 19.84, 2.355) [0.09891, 0.9769, 0.116]\n", + " PeriodicSite: Li (2.952, 14.16, 9.929) [0.1453, 0.6969, 0.4888]\n", + " PeriodicSite: Li (2.484, 17.7, 15.22) [0.1223, 0.8714, 0.7492]\n", + " PeriodicSite: Li (14.97, 4.39, 8.036) [0.737, 0.2161, 0.3956]\n", + " PeriodicSite: Li (15.09, 2.836, 17.88) [0.7429, 0.1396, 0.88]\n", + " PeriodicSite: Li (17.26, 15.63, 7.358) [0.8499, 0.7696, 0.3622]\n", + " PeriodicSite: Li (10.91, 12.61, 19.81) [0.5373, 0.6209, 0.9752]\n", + " PeriodicSite: Li (4.992, 1.631, 3.386) [0.2458, 0.08031, 0.1667]\n", + " PeriodicSite: Li (4.903, 2.271, 17.61) [0.2414, 0.1118, 0.8669]\n", + " PeriodicSite: Li (1.742, 13.43, 5.634) [0.08577, 0.6611, 0.2774]\n", + " PeriodicSite: Li (19.93, 12.07, 2.647) [0.981, 0.5943, 0.1303]\n", + " PeriodicSite: Li (10.9, 3.064, 7.427) [0.5368, 0.1508, 0.3656]\n", + " PeriodicSite: Li (17.4, 19.75, 16.62) [0.8564, 0.9725, 0.8181]\n", + " PeriodicSite: Li (14.47, 11.8, 3.628) [0.7122, 0.581, 0.1786]\n", + " PeriodicSite: Li (15.57, 9.209, 17.3) [0.7663, 0.4534, 0.8517]\n", + " PeriodicSite: Li (4.631, 10.45, 17.75) [0.228, 0.5143, 0.8738]\n", + " PeriodicSite: Li (2.394, 11.26, 9.337) [0.1179, 0.5544, 0.4597]\n", + " PeriodicSite: Li (0.4396, 17.39, 1.709) [0.02163, 0.8561, 0.08415]\n", + " PeriodicSite: Li (2.042, 0.3443, 9.102) [0.1005, 0.01695, 0.4481]\n", + " PeriodicSite: Li (12.78, 5.119, 2.615) [0.629, 0.252, 0.1287]\n", + " PeriodicSite: Li (12.5, 7.531, 14.91) [0.6152, 0.3707, 0.7338]\n", + " PeriodicSite: Li (10.74, 14.2, 7.316) [0.5288, 0.699, 0.3602]\n", + " PeriodicSite: Li (13.77, 0.0005048, 13.25) [0.678, 1.957e-05, 0.6522]\n", + " PeriodicSite: Li (3.611, 7.317, 0.9794) [0.1777, 0.3602, 0.04822]\n", + " PeriodicSite: Li (3.137, 4.906, 11.67) [0.1545, 0.2415, 0.5747]\n", + " PeriodicSite: Li (6.25, 15.09, 18.38) [0.3077, 0.7427, 0.905]\n", + " PeriodicSite: Li (5.179, 18.35, 15.41) [0.255, 0.9032, 0.7587]\n", + " PeriodicSite: Li (14.73, 6.994, 1.576) [0.725, 0.3443, 0.07758]\n", + " PeriodicSite: Li (10.45, 7.966, 11.36) [0.5146, 0.3922, 0.5595]\n", + " PeriodicSite: Li (13.46, 18.35, 4.963) [0.6624, 0.9035, 0.2443]\n", + " PeriodicSite: Li (11.07, 17.49, 13.48) [0.5449, 0.8611, 0.6638]\n", + " PeriodicSite: Li (2.025, 9.85, 2.127) [0.09968, 0.4849, 0.1047]\n", + " PeriodicSite: Li (5.004, 7.312, 11.37) [0.2464, 0.36, 0.5596]\n", + " PeriodicSite: Li (3.502, 17.4, 0.4282) [0.1724, 0.8564, 0.02108]\n", + " PeriodicSite: Li (2.514, 17.34, 10.79) [0.1238, 0.8534, 0.5313]\n", + " PeriodicSite: Li (11.68, 8.143, 0.5657) [0.5748, 0.4009, 0.02785]\n", + " PeriodicSite: Li (10.82, 6.027, 12.67) [0.5325, 0.2967, 0.6238]\n", + " PeriodicSite: Li (12.15, 15.8, 3.754) [0.5981, 0.7777, 0.1848]\n", + " PeriodicSite: Li (14.95, 16.06, 12.6) [0.7362, 0.7907, 0.6202]\n", + " PeriodicSite: Li (20.26, 7.701, 2.642) [0.9976, 0.3791, 0.1301]\n", + " PeriodicSite: Li (17.36, 5.774, 9.319) [0.8548, 0.2842, 0.4588]\n", + " PeriodicSite: Li (2.069, 16.49, 4.413) [0.1018, 0.8118, 0.2173]\n", + " PeriodicSite: Li (0.6614, 19.49, 12.49) [0.03256, 0.9595, 0.6147]\n", + " PeriodicSite: Li (10.17, 7.485, 4.261) [0.5005, 0.3685, 0.2098]\n", + " PeriodicSite: Li (14.56, 8.823, 13.91) [0.7169, 0.4344, 0.6849]\n", + " PeriodicSite: Li (12.92, 15.93, 1.019) [0.6363, 0.7842, 0.05019]\n", + " PeriodicSite: Li (11.48, 15.53, 17.38) [0.5653, 0.7643, 0.8559]\n", + " PeriodicSite: Li (5.971, 8.805, 3.769) [0.294, 0.4335, 0.1856]\n", + " PeriodicSite: Li (19.22, 12.06, 10.81) [0.946, 0.5938, 0.5324]\n", + " PeriodicSite: Li (18.93, 16.31, 3.604) [0.9321, 0.8031, 0.1774]\n", + " PeriodicSite: Li (4.169, 19.72, 13.09) [0.2052, 0.9706, 0.6444]\n", + " PeriodicSite: Li (17.24, 10.28, 3.094) [0.8485, 0.506, 0.1523]\n", + " PeriodicSite: Li (13.2, 6.694, 10.72) [0.65, 0.3295, 0.5279]\n", + " PeriodicSite: Li (12.18, 19.39, 0.181) [0.5995, 0.9544, 0.008913]\n", + " PeriodicSite: Li (13.26, 17.12, 10.36) [0.6526, 0.8427, 0.51]\n", + " PeriodicSite: Li (3.459, 3.552, 0.2743) [0.1703, 0.1749, 0.0135]\n", + " PeriodicSite: Li (3.721, 9.65, 13.42) [0.1832, 0.4751, 0.6608]\n", + " PeriodicSite: Li (4.653, 18.41, 4.023) [0.2291, 0.9063, 0.198]\n", + " PeriodicSite: Li (1.636, 15.63, 13.59) [0.08054, 0.7693, 0.6692]\n", + " PeriodicSite: Li (12.89, 8.935, 4.494) [0.6344, 0.4399, 0.2213]\n", + " PeriodicSite: Li (15.04, 6.039, 12.48) [0.7406, 0.2973, 0.6142]\n", + " PeriodicSite: Li (14.99, 17.02, 1.729) [0.7381, 0.8378, 0.08512]\n", + " PeriodicSite: Li (18.93, 4.89, 13.07) [0.932, 0.2407, 0.6436]\n", + " PeriodicSite: Li (9.469, 2.992, 3.283) [0.4662, 0.1473, 0.1616]\n", + " PeriodicSite: Li (9.972, 1.182, 12.36) [0.4909, 0.05819, 0.6084]\n", + " PeriodicSite: Li (6.518, 11.73, 4.435) [0.3209, 0.5776, 0.2184]\n", + " PeriodicSite: Li (3.325, 12.33, 15.47) [0.1637, 0.6072, 0.7615]\n", + " PeriodicSite: Li (18.67, 2.511, 4.801) [0.9193, 0.1236, 0.2364]\n", + " PeriodicSite: Li (13.61, 3.514, 9.879) [0.67, 0.173, 0.4864]\n", + " PeriodicSite: Li (17.98, 12.01, 20.26) [0.8851, 0.5911, 0.9973]\n", + " PeriodicSite: Li (17.66, 10.59, 13.41) [0.8693, 0.5214, 0.6601]\n", + " PeriodicSite: Li (5.569, 18.77, 6.83) [0.2742, 0.9239, 0.3363]\n", + " PeriodicSite: Li (8.352, 3.412, 14.57) [0.4112, 0.168, 0.7174]\n", + " PeriodicSite: Li (7.509, 13.22, 0.2426) [0.3697, 0.6506, 0.01195]\n", + " PeriodicSite: Li (9.836, 12.96, 13.46) [0.4842, 0.6378, 0.6625]\n", + " PeriodicSite: Li (13.98, 19.7, 2.769) [0.6883, 0.9698, 0.1363]\n", + " PeriodicSite: Li (19.66, 2.116, 11.47) [0.9681, 0.1042, 0.5647]\n", + " PeriodicSite: Li (16.76, 14.68, 2.115) [0.825, 0.7227, 0.1041]\n", + " PeriodicSite: Li (18.11, 14.79, 13.31) [0.8914, 0.728, 0.6555]\n", + " PeriodicSite: Li (8.068, 5.267, 5.883) [0.3972, 0.2593, 0.2896]\n", + " PeriodicSite: Li (7.454, 0.5431, 14.7) [0.3669, 0.02674, 0.7238]\n", + " PeriodicSite: Li (10.36, 12.69, 2.438) [0.5098, 0.6247, 0.12]\n", + " PeriodicSite: Li (5.214, 13.61, 11.81) [0.2567, 0.6703, 0.5812]\n", + " PeriodicSite: Li (19.78, 2.53, 2.234) [0.9739, 0.1246, 0.11]\n", + " PeriodicSite: Li (0.8495, 8.326, 11.24) [0.04182, 0.4099, 0.5532]\n", + " PeriodicSite: Li (15.55, 12.79, 0.7119) [0.7656, 0.6297, 0.03505]\n", + " PeriodicSite: Li (15.76, 12.2, 13.46) [0.776, 0.6006, 0.6625]\n", + " PeriodicSite: Li (2.63, 0.4212, 5.746) [0.1295, 0.02074, 0.2829]\n", + " PeriodicSite: Li (5.705, 2.323, 14.11) [0.2808, 0.1144, 0.6945]\n", + " PeriodicSite: Li (5.719, 13.76, 2.012) [0.2815, 0.6776, 0.09905]\n", + " PeriodicSite: Li (8.601, 6.925, 15.22) [0.4234, 0.3409, 0.7491]\n", + " PeriodicSite: Li (17.19, 4.655, 2.325) [0.8463, 0.2292, 0.1145]\n", + " PeriodicSite: Li (17.32, 20.31, 13.35) [0.8528, 1.0, 0.6572]\n", + " PeriodicSite: Li (14.78, 13.93, 18.37) [0.7278, 0.6859, 0.9044]\n", + " PeriodicSite: Li (17.02, 14.13, 10.6) [0.8381, 0.6958, 0.5219]\n", + " PeriodicSite: Li (6.557, 3.499, 0.08184) [0.3228, 0.1723, 0.004031]\n", + " PeriodicSite: Li (5.914, 2.388, 11.09) [0.2912, 0.1176, 0.5458]\n", + " PeriodicSite: Li (8.014, 10.49, 1.694) [0.3945, 0.5166, 0.08338]\n", + " PeriodicSite: Li (7.534, 11.43, 10.57) [0.3709, 0.5625, 0.5206]\n", + " PeriodicSite: Li (15.94, 1.216, 3.842) [0.7846, 0.05984, 0.1892]\n", + " PeriodicSite: Li (16.23, 3.108, 10.86) [0.7993, 0.153, 0.5346]\n", + " PeriodicSite: Li (1.173, 10.89, 18.34) [0.05776, 0.5363, 0.903]\n", + " PeriodicSite: Li (20.03, 12.69, 13.26) [0.9859, 0.6246, 0.653]\n", + " PeriodicSite: Li (8.005, 0.7657, 1.139) [0.3941, 0.03769, 0.0561]\n", + " PeriodicSite: Li (7.746, 20.29, 11.15) [0.3813, 0.9991, 0.5489]\n", + " PeriodicSite: Li (7.866, 14.49, 3.875) [0.3873, 0.7134, 0.1908]\n", + " PeriodicSite: Li (4.689, 16.96, 12.44) [0.2309, 0.8349, 0.6125]\n", + " PeriodicSite: Li (15.99, 2.665, 0.6321) [0.7872, 0.1312, 0.03112]\n", + " PeriodicSite: Li (1.815, 6.754, 14.82) [0.08936, 0.3325, 0.7294]\n", + " PeriodicSite: Li (4.99, 13.95, 8.506) [0.2457, 0.6867, 0.4188]\n", + " PeriodicSite: Li (14.13, 13.6, 10.72) [0.6955, 0.6694, 0.5276]\n", + " PeriodicSite: Li (13.86, 10.38, 7.194) [0.6825, 0.5109, 0.3542]\n", + " PeriodicSite: Li (5.202, 7.814, 15.43) [0.2561, 0.3847, 0.7597]\n", + " PeriodicSite: Li (7.36, 15.61, 10.97) [0.3623, 0.7687, 0.5398]\n", + " PeriodicSite: Li (2.815, 15.2, 18.25) [0.1386, 0.7483, 0.8986]\n", + " PeriodicSite: Li (17.03, 10.15, 6.989) [0.8385, 0.4997, 0.3441]\n", + " PeriodicSite: Li (2.937, 5.065, 18.4) [0.1446, 0.2494, 0.9058]\n", + " PeriodicSite: Li (17.46, 19.32, 6.037) [0.8598, 0.9509, 0.2972]\n", + " PeriodicSite: Li (19.94, 18.78, 18.89) [0.9819, 0.9246, 0.93]\n", + " PeriodicSite: Li (7.454, 9.51, 6.133) [0.367, 0.4682, 0.302]\n", + " PeriodicSite: Li (8.778, 5.597, 17.42) [0.4321, 0.2755, 0.8575]\n", + " PeriodicSite: Li (7.86, 20.2, 7.953) [0.387, 0.9947, 0.3915]\n", + " PeriodicSite: Li (7.972, 15.79, 15.71) [0.3925, 0.7775, 0.7733]\n", + " PeriodicSite: Li (17.87, 8.966, 9.669) [0.8798, 0.4414, 0.476]\n", + " PeriodicSite: Li (16.77, 5.341, 18.6) [0.8254, 0.2629, 0.9156]\n", + " PeriodicSite: Li (18.17, 19.84, 9.092) [0.8946, 0.9768, 0.4476]\n", + " PeriodicSite: Li (18.58, 16.51, 15.76) [0.9146, 0.8128, 0.7758]\n", + " PeriodicSite: Li (7.176, 5.514, 8.726) [0.3533, 0.2715, 0.4296]\n", + " PeriodicSite: Li (6.099, 5.641, 17.86) [0.3003, 0.2777, 0.8794]\n", + " PeriodicSite: Li (9.777, 18.02, 9.342) [0.4813, 0.887, 0.4599]\n", + " PeriodicSite: Li (12.84, 12.52, 15.26) [0.6322, 0.6164, 0.7511]\n", + " PeriodicSite: Li (20.24, 7.343, 8.012) [0.9966, 0.3615, 0.3944]\n", + " PeriodicSite: Li (19.95, 6.158, 17.26) [0.9822, 0.3031, 0.8498]\n", + " PeriodicSite: Li (16.83, 17.34, 10.24) [0.8287, 0.8537, 0.5043]\n", + " PeriodicSite: Li (17.32, 15.28, 18.98) [0.8528, 0.7522, 0.9346]\n", + " PeriodicSite: Li (10.06, 8.438, 8.514) [0.4955, 0.4154, 0.4192]\n", + " PeriodicSite: Li (6.146, 5.329, 1.888) [0.3026, 0.2624, 0.09296]\n", + " PeriodicSite: Li (5.202, 16.87, 8.593) [0.2561, 0.8307, 0.423]\n", + " PeriodicSite: Li (6.263, 16.82, 1.155) [0.3083, 0.8282, 0.05687]\n", + " PeriodicSite: Li (15.55, 7.721, 9.185) [0.7656, 0.3801, 0.4522]\n", + " PeriodicSite: Li (19.34, 8.335, 19.87) [0.9523, 0.4103, 0.9781]\n", + " PeriodicSite: Li (15.4, 18.46, 7.142) [0.758, 0.9089, 0.3516]\n", + " PeriodicSite: Li (15.01, 17.93, 15.4) [0.739, 0.8827, 0.7581]\n", + " PeriodicSite: Li (7.124, 4.495, 12.01) [0.3507, 0.2213, 0.5913]\n", + " PeriodicSite: Li (7.058, 7.437, 19.71) [0.3475, 0.3661, 0.9704]\n", + " PeriodicSite: Li (9.199, 17.83, 6.043) [0.4529, 0.8778, 0.2975]\n", + " PeriodicSite: Li (10.35, 18.21, 2.426) [0.5097, 0.8963, 0.1194]\n", + " PeriodicSite: Li (15.71, 7.847, 5.385) [0.7733, 0.3863, 0.2651]\n", + " PeriodicSite: Li (13.35, 5.701, 18.76) [0.6573, 0.2807, 0.9235]\n", + " PeriodicSite: Li (19.75, 17.64, 7.662) [0.9725, 0.8685, 0.3772]\n", + " PeriodicSite: Li (18.54, 0.0003351, 1.902) [0.9127, 8.11e-06, 0.09363]\n", + " PeriodicSite: Li (2.811, 9.398, 5.364) [0.1384, 0.4627, 0.2641]\n", + " PeriodicSite: Li (9.692, 8.78, 17.81) [0.4771, 0.4323, 0.8766]\n", + " PeriodicSite: Li (7.715, 15.41, 7.177) [0.3798, 0.7586, 0.3534]\n", + " PeriodicSite: Li (6.887, 19.81, 17.37) [0.339, 0.9752, 0.8551]\n", + " PeriodicSite: Li (18.09, 5.918, 5.328) [0.8906, 0.2914, 0.2623]\n", + " PeriodicSite: Li (17.47, 11.96, 15.78) [0.8601, 0.5888, 0.7768]\n", + " PeriodicSite: Li (2.661, 15.27, 2.183) [0.131, 0.7518, 0.1075]\n", + " PeriodicSite: Li (15.83, 2.249, 15.13) [0.7794, 0.1107, 0.745]\n", + " PeriodicSite: Cl (7.239, 13.05, 12.58) [0.3564, 0.6426, 0.6195]\n", + " PeriodicSite: Cl (2.612, 12.67, 17.66) [0.1286, 0.624, 0.8693]\n", + " PeriodicSite: Cl (13.35, 17.82, 12.8) [0.6573, 0.8773, 0.6302]\n", + " PeriodicSite: Cl (17.72, 7.793, 17.67) [0.8725, 0.3837, 0.87]\n", + " PeriodicSite: Cl (7.081, 2.643, 2.196) [0.3486, 0.1301, 0.1081]\n", + " PeriodicSite: Cl (7.691, 7.916, 7.985) [0.3786, 0.3897, 0.3931]\n", + " PeriodicSite: Cl (12.47, 12.78, 7.944) [0.614, 0.6292, 0.3911]\n", + " PeriodicSite: Cl (2.161, 7.534, 3.017) [0.1064, 0.3709, 0.1485]\n", + " PeriodicSite: Cl (2.721, 7.255, 12.5) [0.134, 0.3572, 0.6153]\n", + " PeriodicSite: Cl (12.65, 12.98, 17.52) [0.6229, 0.6388, 0.8625]\n", + " PeriodicSite: Cl (17.98, 17.71, 18.09) [0.8853, 0.8719, 0.8908]\n", + " PeriodicSite: Cl (2.626, 2.207, 7.556) [0.1293, 0.1087, 0.372]\n", + " PeriodicSite: Cl (12.78, 2.656, 17.77) [0.629, 0.1308, 0.8747]\n", + " PeriodicSite: Cl (12.56, 7.312, 2.583) [0.6185, 0.36, 0.1272]\n", + " PeriodicSite: Cl (17.9, 2.17, 12.89) [0.881, 0.1068, 0.6346]\n", + " PeriodicSite: Cl (7.693, 17.63, 17.78) [0.3787, 0.8678, 0.8756]\n", + " PeriodicSite: Cl (0.05811, 19.94, 0.6198) [0.002852, 0.9816, 0.03052]\n", + " PeriodicSite: Cl (20.29, 20.18, 10.44) [0.9987, 0.9933, 0.514]\n", + " PeriodicSite: Cl (0.03329, 10.14, 0.3251) [0.001634, 0.4993, 0.016]\n", + " PeriodicSite: Cl (0.1472, 10.23, 9.927) [0.007245, 0.5036, 0.4887]\n", + " PeriodicSite: Cl (9.985, 0.1624, 0.2289) [0.4916, 0.00799, 0.01127]\n", + " PeriodicSite: Cl (9.776, 0.04781, 9.924) [0.4813, 0.00235, 0.4886]\n", + " PeriodicSite: Cl (9.83, 10.25, 19.78) [0.484, 0.5045, 0.9739]\n", + " PeriodicSite: Cl (9.921, 10.17, 10.3) [0.4884, 0.5007, 0.5071]\n", + " PeriodicSite: Cl (20.12, 4.605, 4.871) [0.9905, 0.2267, 0.2398]\n", + " PeriodicSite: Cl (0.3808, 4.903, 15.46) [0.01875, 0.2414, 0.7611]\n", + " PeriodicSite: Cl (0.178, 15.23, 5.283) [0.008759, 0.7496, 0.2601]\n", + " PeriodicSite: Cl (20.21, 14.93, 14.77) [0.9949, 0.7348, 0.7269]\n", + " PeriodicSite: Cl (9.766, 5.149, 4.652) [0.4808, 0.2535, 0.229]\n", + " PeriodicSite: Cl (10.18, 5.05, 14.92) [0.5012, 0.2486, 0.7345]\n", + " PeriodicSite: Cl (10.02, 15.35, 5.282) [0.4931, 0.7557, 0.26]\n", + " PeriodicSite: Cl (10.74, 15.41, 14.82) [0.5288, 0.7589, 0.7294]\n", + " PeriodicSite: S (5.091, 0.2916, 5.051) [0.2506, 0.01435, 0.2487]\n", + " PeriodicSite: S (5.346, 0.2678, 15.56) [0.2632, 0.01318, 0.766]\n", + " PeriodicSite: S (5.112, 10.08, 5.369) [0.2517, 0.4965, 0.2643]\n", + " PeriodicSite: S (5.219, 10.31, 15.42) [0.2569, 0.5077, 0.7589]\n", + " PeriodicSite: S (15.16, 20.01, 5.441) [0.7464, 0.9852, 0.2679]\n", + " PeriodicSite: S (15.34, 20.27, 15.27) [0.7554, 0.9981, 0.752]\n", + " PeriodicSite: S (15.23, 10.11, 5.273) [0.75, 0.4979, 0.2596]\n", + " PeriodicSite: S (16.01, 10.33, 15.15) [0.7884, 0.5085, 0.746]\n", + " PeriodicSite: S (4.997, 5.175, 19.85) [0.246, 0.2548, 0.9772]\n", + " PeriodicSite: S (5.136, 4.788, 10.61) [0.2529, 0.2357, 0.5226]\n", + " PeriodicSite: S (4.863, 14.95, 0.04899) [0.2394, 0.7358, 0.002415]\n", + " PeriodicSite: S (4.845, 15.38, 10.32) [0.2385, 0.7574, 0.5083]\n", + " PeriodicSite: S (14.99, 4.799, 20.27) [0.7378, 0.2363, 0.9977]\n", + " PeriodicSite: S (15.23, 5.257, 10.28) [0.7498, 0.2588, 0.5062]\n", + " PeriodicSite: S (15.38, 15.32, 0.1313) [0.7574, 0.7542, 0.00647]\n", + " PeriodicSite: S (15.04, 15.74, 10.08) [0.7402, 0.7747, 0.4961]\n", + " PeriodicSite: S (9.369, 4.359, 8.303) [0.4612, 0.2146, 0.4088]\n", + " PeriodicSite: S (8.817, 3.887, 18.91) [0.4341, 0.1913, 0.931]\n", + " PeriodicSite: S (9.077, 13.9, 9.149) [0.4468, 0.6842, 0.4504]\n", + " PeriodicSite: S (9.039, 14.35, 18.93) [0.445, 0.7067, 0.9318]\n", + " PeriodicSite: S (18.93, 3.724, 9.015) [0.932, 0.1833, 0.4438]\n", + " PeriodicSite: S (19.02, 4.3, 19.0) [0.9365, 0.2117, 0.9353]\n", + " PeriodicSite: S (18.84, 14.14, 8.983) [0.9273, 0.6961, 0.4422]\n", + " PeriodicSite: S (19.17, 13.91, 18.85) [0.9439, 0.6846, 0.9281]\n", + " PeriodicSite: S (3.783, 1.179, 1.06) [0.1862, 0.05802, 0.05219]\n", + " PeriodicSite: S (3.366, 0.7036, 11.21) [0.1657, 0.03464, 0.5518]\n", + " PeriodicSite: S (3.929, 11.33, 1.518) [0.1934, 0.5577, 0.07472]\n", + " PeriodicSite: S (3.629, 11.48, 11.34) [0.1787, 0.5653, 0.5583]\n", + " PeriodicSite: S (14.19, 1.248, 1.336) [0.6983, 0.06146, 0.06579]\n", + " PeriodicSite: S (14.18, 1.445, 11.45) [0.6979, 0.07114, 0.5639]\n", + " PeriodicSite: S (13.77, 11.37, 1.318) [0.6777, 0.5596, 0.06487]\n", + " PeriodicSite: S (14.2, 11.34, 11.79) [0.6992, 0.558, 0.5807]\n", + " PeriodicSite: S (6.087, 0.9664, 9.211) [0.2997, 0.04757, 0.4535]\n", + " PeriodicSite: S (6.485, 1.094, 19.34) [0.3193, 0.05384, 0.9522]\n", + " PeriodicSite: S (6.199, 11.46, 8.753) [0.3052, 0.5641, 0.4309]\n", + " PeriodicSite: S (6.066, 11.05, 19.21) [0.2986, 0.544, 0.9456]\n", + " PeriodicSite: S (16.6, 1.252, 8.983) [0.8171, 0.06164, 0.4422]\n", + " PeriodicSite: S (16.29, 1.077, 18.95) [0.8021, 0.05299, 0.9329]\n", + " PeriodicSite: S (16.38, 11.35, 9.334) [0.8066, 0.5586, 0.4595]\n", + " PeriodicSite: S (15.93, 11.58, 18.92) [0.7844, 0.5699, 0.9314]\n", + " PeriodicSite: S (1.021, 3.923, 1.106) [0.05028, 0.1931, 0.05447]\n", + " PeriodicSite: S (0.8068, 3.927, 11.63) [0.03972, 0.1934, 0.5724]\n", + " PeriodicSite: S (1.101, 13.89, 1.144) [0.05422, 0.684, 0.05633]\n", + " PeriodicSite: S (0.9056, 13.85, 11.3) [0.04458, 0.6821, 0.5563]\n", + " PeriodicSite: S (10.68, 3.835, 1.386) [0.5259, 0.1888, 0.06826]\n", + " PeriodicSite: S (11.08, 3.924, 11.2) [0.5453, 0.1932, 0.5516]\n", + " PeriodicSite: S (11.29, 14.42, 1.041) [0.556, 0.7099, 0.05124]\n", + " PeriodicSite: S (11.43, 13.86, 11.44) [0.5629, 0.6824, 0.5634]\n", + " PeriodicSite: S (2.669, 2.486, 18.33) [0.1314, 0.1224, 0.9024]\n", + " PeriodicSite: S (2.542, 13.24, 7.716) [0.1252, 0.6516, 0.3799]\n", + " PeriodicSite: S (13.12, 2.541, 7.822) [0.6457, 0.1251, 0.3851]\n", + " PeriodicSite: S (8.566, 8.929, 3.723) [0.4217, 0.4396, 0.1833]\n", + " PeriodicSite: S (9.461, 8.693, 13.84) [0.4658, 0.428, 0.6814]\n", + " PeriodicSite: S (8.813, 19.32, 4.273) [0.4339, 0.9514, 0.2104]\n", + " PeriodicSite: S (9.429, 19.47, 13.54) [0.4642, 0.9586, 0.6664]\n", + " PeriodicSite: S (18.96, 8.909, 4.221) [0.9336, 0.4386, 0.2078]\n", + " PeriodicSite: S (19.54, 8.987, 13.96) [0.9621, 0.4424, 0.6872]\n", + " PeriodicSite: S (18.95, 18.74, 3.739) [0.9328, 0.9224, 0.1841]\n", + " PeriodicSite: S (19.36, 19.1, 14.5) [0.9529, 0.9402, 0.714]\n", + " PeriodicSite: S (3.719, 6.039, 6.525) [0.1831, 0.2973, 0.3213]\n", + " PeriodicSite: S (4.058, 6.174, 16.35) [0.1998, 0.3039, 0.8048]\n", + " PeriodicSite: S (3.843, 16.76, 6.112) [0.1892, 0.8249, 0.3009]\n", + " PeriodicSite: S (4.0, 16.3, 16.48) [0.1969, 0.8027, 0.8114]\n", + " PeriodicSite: S (13.73, 6.359, 5.895) [0.6759, 0.3131, 0.2902]\n", + " PeriodicSite: S (14.15, 6.764, 16.42) [0.6966, 0.333, 0.8086]\n", + " PeriodicSite: S (13.54, 16.33, 5.979) [0.6667, 0.804, 0.2943]\n", + " PeriodicSite: S (14.36, 16.06, 16.89) [0.7071, 0.7907, 0.8315]\n", + " PeriodicSite: S (6.407, 6.344, 4.266) [0.3154, 0.3123, 0.21]\n", + " PeriodicSite: S (6.492, 6.256, 13.93) [0.3196, 0.308, 0.6857]\n", + " PeriodicSite: S (6.103, 16.36, 3.883) [0.3004, 0.8055, 0.1912]\n", + " PeriodicSite: S (6.298, 16.85, 14.24) [0.31, 0.8294, 0.7012]\n", + " PeriodicSite: S (16.16, 6.184, 3.746) [0.7955, 0.3045, 0.1844]\n", + " PeriodicSite: S (16.61, 6.369, 14.15) [0.8176, 0.3136, 0.6964]\n", + " PeriodicSite: S (16.43, 16.35, 3.93) [0.8087, 0.8051, 0.1935]\n", + " PeriodicSite: S (16.62, 16.59, 14.33) [0.8183, 0.8165, 0.7053]\n", + " PeriodicSite: S (0.8714, 9.111, 6.757) [0.0429, 0.4485, 0.3327]\n", + " PeriodicSite: S (1.348, 8.697, 16.34) [0.06637, 0.4282, 0.8045]\n", + " PeriodicSite: S (1.035, 18.62, 5.98) [0.05093, 0.9166, 0.2944]\n", + " PeriodicSite: S (1.297, 18.96, 17.03) [0.06384, 0.9334, 0.8384]\n", + " PeriodicSite: S (11.05, 8.834, 5.859) [0.544, 0.4349, 0.2885]\n", + " PeriodicSite: S (11.51, 9.256, 16.3) [0.5667, 0.4557, 0.8022]\n", + " PeriodicSite: S (11.11, 19.22, 6.686) [0.5468, 0.946, 0.3292]\n", + " PeriodicSite: S (11.55, 19.04, 16.19) [0.5687, 0.9376, 0.797]\n", + " PeriodicSite: S (2.732, 17.62, 2.58) [0.1345, 0.8672, 0.127]\n", + " PeriodicSite: S (2.407, 17.92, 13.02) [0.1185, 0.8824, 0.6412]\n", + " PeriodicSite: S (12.75, 7.383, 12.84) [0.6278, 0.3635, 0.6321]\n", + " PeriodicSite: S (12.77, 17.94, 2.354) [0.6286, 0.8832, 0.1159]\n", + " PeriodicSite: S (4.029, 4.142, 3.668) [0.1983, 0.2039, 0.1806]\n", + " PeriodicSite: S (3.999, 4.03, 13.88) [0.1969, 0.1984, 0.6834]\n", + " PeriodicSite: S (3.552, 14.28, 3.794) [0.1749, 0.7031, 0.1868]\n", + " PeriodicSite: S (3.951, 14.42, 13.79) [0.1945, 0.7101, 0.6787]\n", + " PeriodicSite: S (13.82, 3.526, 4.113) [0.6802, 0.1736, 0.2025]\n", + " PeriodicSite: S (14.29, 4.036, 14.14) [0.7036, 0.1987, 0.6959]\n", + " PeriodicSite: S (13.98, 14.33, 3.428) [0.6883, 0.7057, 0.1687]\n", + " PeriodicSite: S (14.26, 14.31, 14.05) [0.7019, 0.7043, 0.6916]\n", + " PeriodicSite: S (9.157, 1.742, 6.318) [0.4508, 0.08573, 0.311]\n", + " PeriodicSite: S (9.226, 1.443, 16.12) [0.4542, 0.07103, 0.7935]\n", + " PeriodicSite: S (8.814, 11.55, 5.759) [0.4339, 0.5689, 0.2835]\n", + " PeriodicSite: S (8.901, 11.35, 15.66) [0.4382, 0.5587, 0.7707]\n", + " PeriodicSite: S (19.06, 0.7484, 6.407) [0.9381, 0.03683, 0.3154]\n", + " PeriodicSite: S (19.28, 1.208, 16.85) [0.9494, 0.05949, 0.8296]\n", + " PeriodicSite: S (18.76, 11.49, 6.333) [0.9237, 0.5658, 0.3118]\n", + " PeriodicSite: S (19.61, 11.26, 16.43) [0.9652, 0.5546, 0.809]\n", + " PeriodicSite: S (0.7041, 0.9721, 3.958) [0.03466, 0.04786, 0.1948]\n", + " PeriodicSite: S (1.586, 0.9081, 14.74) [0.0781, 0.04471, 0.7256]\n", + " PeriodicSite: S (1.194, 11.29, 4.212) [0.05877, 0.5556, 0.2074]\n", + " PeriodicSite: S (1.583, 11.28, 14.05) [0.07795, 0.5555, 0.6918]\n", + " PeriodicSite: S (11.47, 1.11, 4.021) [0.5647, 0.05463, 0.1979]\n", + " PeriodicSite: S (11.84, 1.302, 14.02) [0.583, 0.06407, 0.6904]\n", + " PeriodicSite: S (11.23, 10.9, 3.291) [0.5529, 0.5364, 0.162]\n", + " PeriodicSite: S (11.65, 11.25, 13.66) [0.5735, 0.554, 0.6725]\n", + " PeriodicSite: S (6.106, 3.997, 6.648) [0.3006, 0.1968, 0.3273]\n", + " PeriodicSite: S (6.476, 3.863, 16.27) [0.3188, 0.1902, 0.801]\n", + " PeriodicSite: S (5.97, 13.95, 6.148) [0.2939, 0.6869, 0.3027]\n", + " PeriodicSite: S (6.447, 13.89, 16.06) [0.3174, 0.684, 0.7904]\n", + " PeriodicSite: S (16.43, 3.925, 6.054) [0.8088, 0.1932, 0.298]\n", + " PeriodicSite: S (16.61, 4.318, 16.52) [0.8178, 0.2126, 0.8134]\n", + " PeriodicSite: S (15.78, 14.03, 6.356) [0.7767, 0.6908, 0.3129]\n", + " PeriodicSite: S (17.04, 14.19, 16.64) [0.839, 0.6988, 0.8191]\n", + " PeriodicSite: S (7.369, 2.168, 12.82) [0.3628, 0.1067, 0.631]\n", + " PeriodicSite: S (7.828, 12.61, 2.513) [0.3854, 0.6208, 0.1237]\n", + " PeriodicSite: S (17.57, 2.29, 2.796) [0.8649, 0.1127, 0.1377]\n", + " PeriodicSite: S (17.53, 12.62, 2.493) [0.8629, 0.6212, 0.1227]\n", + " PeriodicSite: S (17.85, 12.77, 12.58) [0.8787, 0.6288, 0.6192]\n", + " PeriodicSite: S (3.668, 9.489, 8.827) [0.1806, 0.4671, 0.4346]\n", + " PeriodicSite: S (3.293, 9.216, 19.39) [0.1621, 0.4537, 0.9547]\n", + " PeriodicSite: S (3.771, 18.84, 8.732) [0.1856, 0.9273, 0.4299]\n", + " PeriodicSite: S (4.101, 19.1, 19.11) [0.2019, 0.9402, 0.9408]\n", + " PeriodicSite: S (13.78, 9.068, 9.254) [0.6782, 0.4464, 0.4556]\n", + " PeriodicSite: S (13.55, 9.111, 19.24) [0.667, 0.4485, 0.9473]\n", + " PeriodicSite: S (14.15, 19.29, 8.996) [0.6965, 0.9498, 0.4429]\n", + " PeriodicSite: S (13.85, 19.23, 18.9) [0.682, 0.9467, 0.9306]\n", + " PeriodicSite: S (8.506, 6.449, 1.055) [0.4188, 0.3175, 0.05193]\n", + " PeriodicSite: S (8.542, 6.277, 11.01) [0.4205, 0.309, 0.5421]\n", + " PeriodicSite: S (8.875, 17.03, 0.9214) [0.4369, 0.8382, 0.04537]\n", + " PeriodicSite: S (9.48, 16.44, 11.5) [0.4667, 0.8094, 0.5663]\n", + " PeriodicSite: S (18.78, 6.3, 1.21) [0.9244, 0.3101, 0.05958]\n", + " PeriodicSite: S (19.19, 6.558, 10.75) [0.9448, 0.3229, 0.5291]\n", + " PeriodicSite: S (18.81, 16.16, 1.15) [0.9259, 0.7955, 0.05664]\n", + " PeriodicSite: S (18.83, 16.13, 11.46) [0.927, 0.7939, 0.5641]\n", + " PeriodicSite: S (1.321, 5.575, 8.585) [0.06502, 0.2745, 0.4227]\n", + " PeriodicSite: S (0.888, 6.717, 19.35) [0.04372, 0.3307, 0.9528]\n", + " PeriodicSite: S (1.131, 16.28, 9.248) [0.05568, 0.8014, 0.4553]\n", + " PeriodicSite: S (1.016, 16.42, 19.48) [0.05002, 0.8086, 0.9592]\n", + " PeriodicSite: S (11.43, 6.671, 9.345) [0.5626, 0.3284, 0.4601]\n", + " PeriodicSite: S (11.17, 6.444, 19.4) [0.55, 0.3172, 0.9552]\n", + " PeriodicSite: S (11.42, 16.19, 8.988) [0.5621, 0.7969, 0.4425]\n", + " PeriodicSite: S (11.39, 16.92, 19.24) [0.5607, 0.8328, 0.9473]\n", + " PeriodicSite: S (5.864, 8.565, 1.212) [0.2887, 0.4217, 0.05965]\n", + " PeriodicSite: S (6.181, 9.341, 11.19) [0.3043, 0.4599, 0.551]\n", + " PeriodicSite: S (6.192, 19.09, 1.394) [0.3048, 0.9401, 0.06864]\n", + " PeriodicSite: S (5.968, 18.77, 11.44) [0.2938, 0.9242, 0.5632]\n", + " PeriodicSite: S (16.26, 9.168, 1.021) [0.8006, 0.4514, 0.05026]\n", + " PeriodicSite: S (16.13, 8.84, 11.49) [0.7941, 0.4352, 0.5656]\n", + " PeriodicSite: S (16.13, 18.92, 0.9855) [0.7942, 0.9315, 0.04852]\n", + " PeriodicSite: S (16.2, 19.17, 11.55) [0.7976, 0.9437, 0.5685]\n", + " PeriodicSite: S (7.696, 7.713, 17.17) [0.3789, 0.3797, 0.8455]\n", + " PeriodicSite: S (7.499, 17.56, 7.786) [0.3692, 0.8644, 0.3833]\n", + " PeriodicSite: S (17.56, 7.647, 7.59) [0.8647, 0.3765, 0.3737]\n", + " PeriodicSite: S (17.36, 17.89, 7.904) [0.8545, 0.881, 0.3891]\n", + " PeriodicSite: P (5.159, 20.23, 0.0346) [0.254, 0.9957, 0.001707]\n", + " PeriodicSite: P (4.787, 19.92, 10.14) [0.2357, 0.9806, 0.4992]\n", + " PeriodicSite: P (4.756, 10.13, 0.1947) [0.2341, 0.4985, 0.009588]\n", + " PeriodicSite: P (4.929, 10.48, 10.08) [0.2426, 0.5158, 0.4962]\n", + " PeriodicSite: P (15.05, 20.26, 20.25) [0.7408, 0.9976, 0.997]\n", + " PeriodicSite: P (15.21, 0.1787, 10.23) [0.7487, 0.008789, 0.5036]\n", + " PeriodicSite: P (14.88, 10.37, 20.29) [0.7328, 0.5104, 0.9991]\n", + " PeriodicSite: P (15.09, 10.2, 10.43) [0.7431, 0.5023, 0.5135]\n", + " PeriodicSite: P (5.026, 5.165, 5.239) [0.2474, 0.2543, 0.2579]\n", + " PeriodicSite: P (5.318, 5.037, 15.15) [0.2618, 0.248, 0.7461]\n", + " PeriodicSite: P (4.818, 15.27, 5.009) [0.2372, 0.7516, 0.2466]\n", + " PeriodicSite: P (5.252, 15.33, 15.14) [0.2586, 0.7547, 0.7454]\n", + " PeriodicSite: P (14.88, 4.93, 4.95) [0.7327, 0.2427, 0.2437]\n", + " PeriodicSite: P (15.26, 5.346, 15.39) [0.7512, 0.2632, 0.7577]\n", + " PeriodicSite: P (15.0, 15.24, 4.928) [0.7384, 0.7503, 0.2426]\n", + " PeriodicSite: P (15.56, 15.17, 15.38) [0.7661, 0.7468, 0.7571]\n", + " PeriodicSite: P (20.12, 19.91, 4.949) [0.9906, 0.9804, 0.2437]\n", + " PeriodicSite: P (0.1608, 20.22, 15.78) [0.007912, 0.9955, 0.7767]\n", + " PeriodicSite: P (20.17, 10.13, 5.339) [0.9929, 0.4988, 0.2628]\n", + " PeriodicSite: P (0.2888, 10.0, 15.13) [0.01422, 0.4925, 0.7449]\n", + " PeriodicSite: P (10.22, 0.2437, 5.363) [0.5033, 0.012, 0.264]\n", + " PeriodicSite: P (10.54, 0.09852, 15.15) [0.5189, 0.004846, 0.7457]\n", + " PeriodicSite: P (9.867, 10.32, 4.711) [0.4858, 0.508, 0.232]\n", + " PeriodicSite: P (10.42, 10.16, 14.86) [0.5129, 0.5002, 0.7315]\n", + " PeriodicSite: P (20.12, 5.309, 0.01721) [0.9906, 0.2613, 0.0008532]\n", + " PeriodicSite: P (20.27, 4.852, 10.02) [0.9981, 0.2389, 0.4933]\n", + " PeriodicSite: P (20.12, 15.04, 0.01033) [0.9906, 0.7404, 0.0005152]\n", + " PeriodicSite: P (20.06, 15.16, 10.24) [0.9876, 0.7466, 0.5042]\n", + " PeriodicSite: P (9.87, 5.142, 0.02737) [0.4859, 0.2531, 0.00135]\n", + " PeriodicSite: P (10.14, 5.219, 10.01) [0.4992, 0.257, 0.4927]\n", + " PeriodicSite: P (10.09, 15.68, 20.26) [0.4969, 0.7722, 0.9976]\n", + " PeriodicSite: P (10.35, 15.08, 10.28) [0.5097, 0.7424, 0.506],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.576, 5.54, 3.909) [0.07758, 0.2727, 0.1925]\n", + " PeriodicSite: Li (1.833, 3.535, 15.57) [0.09023, 0.174, 0.7664]\n", + " PeriodicSite: Li (0.07231, 12.73, 7.315) [0.003556, 0.6266, 0.3601]\n", + " PeriodicSite: Li (0.4284, 13.93, 17.09) [0.02109, 0.6858, 0.8412]\n", + " PeriodicSite: Li (15.48, 1.367, 7.036) [0.7621, 0.0673, 0.3464]\n", + " PeriodicSite: Li (12.5, 3.185, 15.59) [0.6153, 0.1568, 0.7674]\n", + " PeriodicSite: Li (17.43, 12.41, 4.728) [0.8582, 0.6109, 0.2328]\n", + " PeriodicSite: Li (17.72, 8.833, 15.57) [0.8725, 0.4349, 0.7664]\n", + " PeriodicSite: Li (3.889, 4.608, 8.146) [0.1915, 0.2269, 0.401]\n", + " PeriodicSite: Li (2.077, 0.2719, 19.34) [0.1023, 0.01338, 0.9521]\n", + " PeriodicSite: Li (5.109, 8.278, 6.945) [0.2515, 0.4076, 0.3419]\n", + " PeriodicSite: Li (7.28, 10.3, 16.3) [0.3584, 0.507, 0.8027]\n", + " PeriodicSite: Li (11.63, 4.672, 7.118) [0.5728, 0.23, 0.3504]\n", + " PeriodicSite: Li (13.22, 3.459, 0.3894) [0.651, 0.1703, 0.01918]\n", + " PeriodicSite: Li (12.17, 9.86, 12.28) [0.5991, 0.4854, 0.6044]\n", + " PeriodicSite: Li (9.42, 18.33, 19.08) [0.4638, 0.9025, 0.9394]\n", + " PeriodicSite: Li (4.9, 1.565, 7.202) [0.2412, 0.07706, 0.3546]\n", + " PeriodicSite: Li (2.951, 0.6833, 16.78) [0.1453, 0.03364, 0.8259]\n", + " PeriodicSite: Li (4.348, 11.07, 7.41) [0.2141, 0.545, 0.3648]\n", + " PeriodicSite: Li (6.075, 12.18, 14.26) [0.2991, 0.5995, 0.7021]\n", + " PeriodicSite: Li (12.53, 0.87, 9.475) [0.6168, 0.04283, 0.4665]\n", + " PeriodicSite: Li (10.41, 1.673, 18.63) [0.5123, 0.08235, 0.9169]\n", + " PeriodicSite: Li (14.5, 14.52, 7.787) [0.714, 0.7148, 0.3834]\n", + " PeriodicSite: Li (12.05, 10.53, 18.28) [0.5932, 0.5184, 0.8998]\n", + " PeriodicSite: Li (1.075, 4.419, 7.068) [0.05292, 0.2176, 0.348]\n", + " PeriodicSite: Li (0.5149, 2.912, 18.34) [0.02535, 0.1434, 0.9029]\n", + " PeriodicSite: Li (2.162, 15.11, 7.059) [0.1064, 0.7438, 0.3475]\n", + " PeriodicSite: Li (3.636, 12.72, 19.62) [0.179, 0.6261, 0.9657]\n", + " PeriodicSite: Li (13.06, 1.351, 5.6) [0.6429, 0.06649, 0.2757]\n", + " PeriodicSite: Li (13.6, 0.723, 16.81) [0.6695, 0.03559, 0.8273]\n", + " PeriodicSite: Li (10.7, 12.41, 10.09) [0.5268, 0.611, 0.4968]\n", + " PeriodicSite: Li (15.0, 17.22, 18.87) [0.7387, 0.8478, 0.9292]\n", + " PeriodicSite: Li (6.879, 20.3, 4.409) [0.3386, 0.9994, 0.2171]\n", + " PeriodicSite: Li (2.091, 19.84, 2.352) [0.103, 0.977, 0.1158]\n", + " PeriodicSite: Li (2.406, 14.67, 9.742) [0.1184, 0.7223, 0.4796]\n", + " PeriodicSite: Li (2.032, 17.57, 15.33) [0.1, 0.8649, 0.7546]\n", + " PeriodicSite: Li (14.7, 4.331, 7.576) [0.7235, 0.2132, 0.373]\n", + " PeriodicSite: Li (15.19, 3.097, 18.58) [0.7478, 0.1525, 0.9145]\n", + " PeriodicSite: Li (16.95, 15.2, 8.221) [0.8345, 0.7481, 0.4047]\n", + " PeriodicSite: Li (10.49, 12.8, 19.57) [0.5165, 0.6303, 0.9635]\n", + " PeriodicSite: Li (5.038, 2.322, 3.567) [0.248, 0.1143, 0.1756]\n", + " PeriodicSite: Li (5.084, 2.196, 17.28) [0.2503, 0.1081, 0.8507]\n", + " PeriodicSite: Li (2.245, 12.84, 5.639) [0.1105, 0.632, 0.2776]\n", + " PeriodicSite: Li (19.6, 12.84, 2.708) [0.9648, 0.632, 0.1333]\n", + " PeriodicSite: Li (10.17, 2.204, 8.156) [0.5009, 0.1085, 0.4015]\n", + " PeriodicSite: Li (17.15, 20.22, 17.26) [0.8443, 0.9956, 0.8499]\n", + " PeriodicSite: Li (15.15, 11.72, 3.415) [0.7459, 0.5771, 0.1681]\n", + " PeriodicSite: Li (14.73, 9.098, 17.07) [0.725, 0.4479, 0.8405]\n", + " PeriodicSite: Li (4.099, 10.26, 17.02) [0.2018, 0.5051, 0.8379]\n", + " PeriodicSite: Li (2.136, 11.05, 9.453) [0.1052, 0.5439, 0.4654]\n", + " PeriodicSite: Li (0.2312, 17.62, 1.495) [0.01137, 0.8677, 0.07358]\n", + " PeriodicSite: Li (2.19, 0.9997, 9.535) [0.1078, 0.04922, 0.4694]\n", + " PeriodicSite: Li (12.47, 5.763, 2.983) [0.614, 0.2837, 0.1468]\n", + " PeriodicSite: Li (12.01, 7.323, 14.98) [0.5914, 0.3605, 0.7377]\n", + " PeriodicSite: Li (11.17, 14.49, 7.677) [0.5501, 0.7136, 0.3779]\n", + " PeriodicSite: Li (14.54, 19.91, 13.01) [0.716, 0.9804, 0.6405]\n", + " PeriodicSite: Li (3.128, 6.57, 0.7661) [0.154, 0.3234, 0.03772]\n", + " PeriodicSite: Li (3.076, 5.316, 11.28) [0.1514, 0.2617, 0.5552]\n", + " PeriodicSite: Li (6.692, 15.72, 18.34) [0.3294, 0.7741, 0.9028]\n", + " PeriodicSite: Li (6.047, 17.99, 15.89) [0.2977, 0.8857, 0.7823]\n", + " PeriodicSite: Li (14.97, 6.731, 1.4) [0.7369, 0.3314, 0.06895]\n", + " PeriodicSite: Li (9.893, 8.357, 11.28) [0.4871, 0.4114, 0.5556]\n", + " PeriodicSite: Li (12.98, 19.0, 4.537) [0.6389, 0.9352, 0.2234]\n", + " PeriodicSite: Li (11.06, 17.49, 13.97) [0.5443, 0.8612, 0.6877]\n", + " PeriodicSite: Li (1.835, 11.09, 1.9) [0.09034, 0.546, 0.09355]\n", + " PeriodicSite: Li (4.892, 7.267, 11.59) [0.2408, 0.3578, 0.5705]\n", + " PeriodicSite: Li (3.798, 17.44, 0.2989) [0.187, 0.8584, 0.01472]\n", + " PeriodicSite: Li (2.289, 17.56, 10.7) [0.1127, 0.8643, 0.5266]\n", + " PeriodicSite: Li (11.85, 8.639, 0.6997) [0.5834, 0.4253, 0.03445]\n", + " PeriodicSite: Li (11.15, 5.785, 12.35) [0.5487, 0.2848, 0.6079]\n", + " PeriodicSite: Li (12.08, 15.86, 4.073) [0.5946, 0.7809, 0.2005]\n", + " PeriodicSite: Li (14.79, 15.55, 12.68) [0.7282, 0.7657, 0.6244]\n", + " PeriodicSite: Li (20.28, 8.07, 2.182) [0.9985, 0.3973, 0.1074]\n", + " PeriodicSite: Li (17.28, 4.937, 8.856) [0.8505, 0.243, 0.436]\n", + " PeriodicSite: Li (2.27, 17.48, 4.58) [0.1118, 0.8604, 0.2255]\n", + " PeriodicSite: Li (1.009, 19.56, 12.94) [0.04966, 0.9629, 0.637]\n", + " PeriodicSite: Li (10.82, 7.328, 4.767) [0.5325, 0.3607, 0.2347]\n", + " PeriodicSite: Li (14.84, 8.266, 14.21) [0.7306, 0.407, 0.6995]\n", + " PeriodicSite: Li (12.76, 15.97, 0.7385) [0.6283, 0.786, 0.03636]\n", + " PeriodicSite: Li (12.11, 15.15, 17.02) [0.5962, 0.7458, 0.8377]\n", + " PeriodicSite: Li (6.338, 8.623, 3.622) [0.312, 0.4245, 0.1783]\n", + " PeriodicSite: Li (19.19, 12.2, 10.66) [0.9448, 0.6008, 0.5247]\n", + " PeriodicSite: Li (18.64, 16.48, 4.246) [0.9177, 0.8114, 0.2091]\n", + " PeriodicSite: Li (4.033, 19.44, 13.7) [0.1986, 0.9569, 0.6746]\n", + " PeriodicSite: Li (16.89, 9.725, 2.935) [0.8317, 0.4787, 0.1445]\n", + " PeriodicSite: Li (13.0, 7.211, 10.48) [0.6401, 0.355, 0.5158]\n", + " PeriodicSite: Li (12.72, 19.35, 0.8333) [0.6263, 0.9528, 0.04103]\n", + " PeriodicSite: Li (13.38, 16.64, 10.43) [0.6587, 0.8192, 0.5133]\n", + " PeriodicSite: Li (3.523, 3.206, 0.03697) [0.1735, 0.1578, 0.001821]\n", + " PeriodicSite: Li (3.781, 9.929, 13.15) [0.1861, 0.4888, 0.6476]\n", + " PeriodicSite: Li (4.617, 18.52, 3.424) [0.2273, 0.9115, 0.1686]\n", + " PeriodicSite: Li (1.787, 15.25, 13.15) [0.08799, 0.751, 0.6476]\n", + " PeriodicSite: Li (13.15, 9.803, 3.923) [0.6475, 0.4826, 0.1931]\n", + " PeriodicSite: Li (14.87, 5.84, 12.26) [0.7322, 0.2875, 0.6034]\n", + " PeriodicSite: Li (14.95, 17.03, 1.865) [0.7359, 0.8383, 0.09181]\n", + " PeriodicSite: Li (19.67, 5.283, 13.35) [0.9686, 0.2601, 0.6572]\n", + " PeriodicSite: Li (9.877, 2.839, 3.109) [0.4862, 0.1398, 0.1531]\n", + " PeriodicSite: Li (9.723, 2.481, 12.05) [0.4787, 0.1221, 0.5933]\n", + " PeriodicSite: Li (6.519, 11.69, 4.387) [0.3209, 0.5755, 0.216]\n", + " PeriodicSite: Li (2.979, 12.14, 15.59) [0.1466, 0.5976, 0.7677]\n", + " PeriodicSite: Li (18.39, 2.884, 4.742) [0.9055, 0.142, 0.2334]\n", + " PeriodicSite: Li (13.62, 3.301, 9.836) [0.6708, 0.1625, 0.4842]\n", + " PeriodicSite: Li (17.78, 11.73, 0.4471) [0.8752, 0.5774, 0.02201]\n", + " PeriodicSite: Li (17.4, 10.18, 12.87) [0.8566, 0.5013, 0.6335]\n", + " PeriodicSite: Li (5.728, 18.42, 6.549) [0.282, 0.9066, 0.3224]\n", + " PeriodicSite: Li (9.003, 3.031, 14.78) [0.4432, 0.1492, 0.7277]\n", + " PeriodicSite: Li (6.891, 12.99, 20.29) [0.3392, 0.6396, 0.999]\n", + " PeriodicSite: Li (9.789, 13.6, 13.65) [0.4819, 0.6696, 0.6721]\n", + " PeriodicSite: Li (14.97, 20.03, 2.625) [0.7371, 0.9862, 0.1292]\n", + " PeriodicSite: Li (19.3, 2.277, 11.06) [0.9499, 0.1121, 0.5447]\n", + " PeriodicSite: Li (16.81, 15.22, 1.985) [0.8278, 0.7495, 0.09775]\n", + " PeriodicSite: Li (18.25, 14.93, 12.9) [0.8987, 0.735, 0.6349]\n", + " PeriodicSite: Li (8.196, 5.547, 5.438) [0.4035, 0.2731, 0.2677]\n", + " PeriodicSite: Li (7.121, 0.2825, 14.25) [0.3506, 0.01391, 0.7017]\n", + " PeriodicSite: Li (9.788, 12.83, 2.456) [0.4819, 0.6317, 0.1209]\n", + " PeriodicSite: Li (5.635, 13.56, 11.49) [0.2774, 0.6676, 0.5655]\n", + " PeriodicSite: Li (0.09348, 1.629, 2.174) [0.004602, 0.08019, 0.107]\n", + " PeriodicSite: Li (0.4736, 8.059, 11.48) [0.02332, 0.3967, 0.5651]\n", + " PeriodicSite: Li (15.22, 13.28, 0.8951) [0.7493, 0.6536, 0.04407]\n", + " PeriodicSite: Li (15.72, 12.2, 13.69) [0.7737, 0.6008, 0.6742]\n", + " PeriodicSite: Li (2.577, 0.2516, 5.976) [0.1269, 0.01238, 0.2942]\n", + " PeriodicSite: Li (5.592, 2.132, 14.13) [0.2753, 0.105, 0.6957]\n", + " PeriodicSite: Li (4.978, 13.78, 1.904) [0.2451, 0.6783, 0.09374]\n", + " PeriodicSite: Li (8.274, 6.95, 14.99) [0.4073, 0.3422, 0.7378]\n", + " PeriodicSite: Li (17.54, 4.488, 2.007) [0.8635, 0.2209, 0.09883]\n", + " PeriodicSite: Li (17.8, 0.3472, 14.11) [0.8762, 0.01709, 0.6945]\n", + " PeriodicSite: Li (14.96, 14.06, 18.42) [0.7365, 0.6922, 0.9068]\n", + " PeriodicSite: Li (16.65, 13.34, 10.61) [0.8195, 0.6565, 0.5224]\n", + " PeriodicSite: Li (6.918, 3.644, 0.3823) [0.3406, 0.1794, 0.01883]\n", + " PeriodicSite: Li (5.192, 2.64, 11.12) [0.2556, 0.13, 0.5476]\n", + " PeriodicSite: Li (7.944, 10.62, 1.572) [0.3911, 0.5227, 0.0774]\n", + " PeriodicSite: Li (7.526, 10.96, 10.7) [0.3705, 0.5396, 0.527]\n", + " PeriodicSite: Li (15.89, 2.227, 4.292) [0.7823, 0.1096, 0.2113]\n", + " PeriodicSite: Li (15.84, 2.829, 10.81) [0.7797, 0.1393, 0.5323]\n", + " PeriodicSite: Li (1.202, 9.682, 18.09) [0.0592, 0.4767, 0.8906]\n", + " PeriodicSite: Li (19.79, 12.63, 14.04) [0.9743, 0.6218, 0.6914]\n", + " PeriodicSite: Li (8.152, 0.2862, 1.267) [0.4013, 0.01408, 0.06238]\n", + " PeriodicSite: Li (7.813, 20.3, 11.22) [0.3846, 0.9993, 0.5524]\n", + " PeriodicSite: Li (7.868, 14.3, 4.285) [0.3873, 0.7039, 0.2109]\n", + " PeriodicSite: Li (4.637, 16.39, 12.56) [0.2283, 0.8071, 0.6182]\n", + " PeriodicSite: Li (15.96, 2.759, 0.9213) [0.7858, 0.1358, 0.04536]\n", + " PeriodicSite: Li (2.14, 6.748, 14.63) [0.1053, 0.3322, 0.7202]\n", + " PeriodicSite: Li (4.678, 13.73, 8.311) [0.2303, 0.6758, 0.4092]\n", + " PeriodicSite: Li (13.52, 13.33, 10.28) [0.6657, 0.6562, 0.5062]\n", + " PeriodicSite: Li (14.57, 11.03, 7.159) [0.7171, 0.5432, 0.3525]\n", + " PeriodicSite: Li (5.745, 8.122, 15.38) [0.2828, 0.3998, 0.7573]\n", + " PeriodicSite: Li (7.121, 16.05, 10.8) [0.3506, 0.7902, 0.5317]\n", + " PeriodicSite: Li (3.741, 15.04, 18.27) [0.1842, 0.7406, 0.8992]\n", + " PeriodicSite: Li (17.31, 9.481, 6.028) [0.852, 0.4667, 0.2968]\n", + " PeriodicSite: Li (3.098, 5.283, 18.01) [0.1525, 0.2601, 0.8867]\n", + " PeriodicSite: Li (17.16, 18.72, 5.372) [0.8446, 0.9217, 0.2645]\n", + " PeriodicSite: Li (19.96, 18.2, 18.59) [0.9826, 0.8961, 0.9152]\n", + " PeriodicSite: Li (7.091, 10.14, 6.722) [0.3491, 0.4994, 0.3309]\n", + " PeriodicSite: Li (8.745, 5.346, 17.12) [0.4305, 0.2632, 0.8428]\n", + " PeriodicSite: Li (8.181, 19.96, 8.008) [0.4027, 0.9828, 0.3943]\n", + " PeriodicSite: Li (8.642, 17.02, 15.35) [0.4255, 0.8378, 0.7557]\n", + " PeriodicSite: Li (17.52, 9.412, 9.494) [0.8625, 0.4633, 0.4674]\n", + " PeriodicSite: Li (16.73, 5.926, 19.16) [0.8237, 0.2917, 0.9432]\n", + " PeriodicSite: Li (18.73, 19.84, 8.13) [0.922, 0.9769, 0.4002]\n", + " PeriodicSite: Li (18.29, 16.86, 15.89) [0.9003, 0.8298, 0.7822]\n", + " PeriodicSite: Li (6.991, 5.774, 8.874) [0.3442, 0.2843, 0.4369]\n", + " PeriodicSite: Li (6.092, 5.597, 17.81) [0.2999, 0.2756, 0.877]\n", + " PeriodicSite: Li (9.208, 17.94, 9.592) [0.4533, 0.8833, 0.4722]\n", + " PeriodicSite: Li (13.17, 11.62, 15.34) [0.6482, 0.5719, 0.7551]\n", + " PeriodicSite: Li (19.92, 7.576, 8.13) [0.9807, 0.373, 0.4002]\n", + " PeriodicSite: Li (19.46, 5.934, 17.42) [0.9578, 0.2921, 0.8578]\n", + " PeriodicSite: Li (16.84, 17.55, 9.913) [0.8289, 0.8639, 0.488]\n", + " PeriodicSite: Li (17.51, 15.75, 19.24) [0.8619, 0.7755, 0.9473]\n", + " PeriodicSite: Li (9.477, 8.828, 8.216) [0.4666, 0.4346, 0.4045]\n", + " PeriodicSite: Li (6.106, 5.667, 1.954) [0.3006, 0.279, 0.09618]\n", + " PeriodicSite: Li (5.32, 16.93, 8.705) [0.2619, 0.8336, 0.4286]\n", + " PeriodicSite: Li (6.537, 15.93, 1.45) [0.3218, 0.7844, 0.07138]\n", + " PeriodicSite: Li (15.52, 7.115, 8.774) [0.764, 0.3503, 0.432]\n", + " PeriodicSite: Li (19.04, 8.65, 20.04) [0.9374, 0.4258, 0.9867]\n", + " PeriodicSite: Li (15.31, 18.24, 7.019) [0.7535, 0.8981, 0.3456]\n", + " PeriodicSite: Li (14.93, 18.02, 15.22) [0.7348, 0.8872, 0.7494]\n", + " PeriodicSite: Li (7.019, 4.663, 11.81) [0.3456, 0.2296, 0.5813]\n", + " PeriodicSite: Li (6.648, 7.166, 19.84) [0.3273, 0.3528, 0.9768]\n", + " PeriodicSite: Li (8.908, 17.89, 5.91) [0.4386, 0.8809, 0.291]\n", + " PeriodicSite: Li (10.57, 18.59, 2.394) [0.5206, 0.915, 0.1179]\n", + " PeriodicSite: Li (15.57, 7.871, 5.846) [0.7664, 0.3875, 0.2878]\n", + " PeriodicSite: Li (13.24, 5.58, 18.68) [0.6518, 0.2747, 0.9198]\n", + " PeriodicSite: Li (19.54, 16.8, 7.108) [0.9619, 0.8272, 0.3499]\n", + " PeriodicSite: Li (18.22, 20.25, 2.01) [0.897, 0.9967, 0.09898]\n", + " PeriodicSite: Li (2.86, 8.854, 4.762) [0.1408, 0.4359, 0.2345]\n", + " PeriodicSite: Li (9.734, 8.016, 18.34) [0.4792, 0.3946, 0.9029]\n", + " PeriodicSite: Li (7.872, 15.32, 7.726) [0.3876, 0.7541, 0.3803]\n", + " PeriodicSite: Li (6.55, 19.86, 17.78) [0.3225, 0.9776, 0.8752]\n", + " PeriodicSite: Li (18.27, 6.361, 5.849) [0.8995, 0.3131, 0.2879]\n", + " PeriodicSite: Li (17.0, 11.27, 16.81) [0.837, 0.555, 0.8276]\n", + " PeriodicSite: Li (2.756, 15.29, 2.033) [0.1357, 0.7526, 0.1001]\n", + " PeriodicSite: Li (15.89, 2.512, 14.73) [0.7821, 0.1237, 0.7254]\n", + " PeriodicSite: Cl (7.598, 12.76, 12.36) [0.374, 0.628, 0.6085]\n", + " PeriodicSite: Cl (2.294, 12.8, 17.81) [0.113, 0.6303, 0.8768]\n", + " PeriodicSite: Cl (13.15, 17.82, 12.87) [0.6476, 0.8775, 0.6336]\n", + " PeriodicSite: Cl (17.9, 7.883, 17.91) [0.8813, 0.3881, 0.8818]\n", + " PeriodicSite: Cl (7.597, 2.423, 2.39) [0.374, 0.1193, 0.1176]\n", + " PeriodicSite: Cl (7.324, 7.626, 7.435) [0.3606, 0.3754, 0.366]\n", + " PeriodicSite: Cl (12.77, 12.73, 8.332) [0.6287, 0.6268, 0.4102]\n", + " PeriodicSite: Cl (2.093, 7.585, 2.63) [0.103, 0.3734, 0.1295]\n", + " PeriodicSite: Cl (2.582, 7.679, 12.42) [0.1271, 0.378, 0.6113]\n", + " PeriodicSite: Cl (12.31, 13.0, 18.07) [0.6061, 0.6402, 0.8895]\n", + " PeriodicSite: Cl (17.59, 17.92, 17.78) [0.8661, 0.8822, 0.8753]\n", + " PeriodicSite: Cl (2.782, 2.362, 7.833) [0.137, 0.1163, 0.3856]\n", + " PeriodicSite: Cl (12.74, 2.817, 17.88) [0.6274, 0.1387, 0.8804]\n", + " PeriodicSite: Cl (13.15, 7.801, 2.461) [0.6475, 0.3841, 0.1212]\n", + " PeriodicSite: Cl (17.36, 2.173, 12.89) [0.8544, 0.107, 0.6346]\n", + " PeriodicSite: Cl (7.531, 17.73, 17.74) [0.3707, 0.8729, 0.8733]\n", + " PeriodicSite: Cl (0.3469, 19.88, 0.365) [0.01707, 0.9789, 0.01797]\n", + " PeriodicSite: Cl (0.02227, 0.2497, 10.11) [0.001099, 0.01229, 0.4979]\n", + " PeriodicSite: Cl (0.0947, 10.1, 0.4906) [0.004658, 0.4971, 0.02415]\n", + " PeriodicSite: Cl (20.04, 9.853, 10.02) [0.9865, 0.485, 0.4934]\n", + " PeriodicSite: Cl (10.18, 0.0133, 20.2) [0.5014, 0.0006519, 0.9943]\n", + " PeriodicSite: Cl (9.793, 20.15, 9.931) [0.4821, 0.992, 0.4889]\n", + " PeriodicSite: Cl (10.1, 10.62, 20.13) [0.4974, 0.5227, 0.991]\n", + " PeriodicSite: Cl (9.852, 10.17, 10.03) [0.485, 0.5007, 0.4938]\n", + " PeriodicSite: Cl (19.99, 4.74, 5.06) [0.9843, 0.2334, 0.2491]\n", + " PeriodicSite: Cl (0.4171, 5.317, 15.49) [0.02054, 0.2618, 0.7626]\n", + " PeriodicSite: Cl (0.1074, 14.97, 5.629) [0.005283, 0.7371, 0.2771]\n", + " PeriodicSite: Cl (0.0373, 15.15, 14.99) [0.001834, 0.7459, 0.7377]\n", + " PeriodicSite: Cl (10.4, 5.006, 4.996) [0.5118, 0.2464, 0.2459]\n", + " PeriodicSite: Cl (10.03, 4.994, 15.12) [0.4939, 0.2459, 0.7445]\n", + " PeriodicSite: Cl (9.666, 15.64, 5.134) [0.4759, 0.7698, 0.2527]\n", + " PeriodicSite: Cl (10.23, 15.49, 15.22) [0.5037, 0.7627, 0.7492]\n", + " PeriodicSite: S (4.724, 20.2, 5.246) [0.2326, 0.9942, 0.2583]\n", + " PeriodicSite: S (5.408, 0.006255, 15.66) [0.2662, 0.0003067, 0.771]\n", + " PeriodicSite: S (5.16, 9.815, 5.365) [0.254, 0.4832, 0.2641]\n", + " PeriodicSite: S (5.181, 10.21, 15.05) [0.2551, 0.5024, 0.7411]\n", + " PeriodicSite: S (14.76, 20.31, 5.113) [0.7267, 0.9997, 0.2517]\n", + " PeriodicSite: S (15.59, 0.06687, 15.49) [0.7675, 0.003286, 0.7627]\n", + " PeriodicSite: S (15.31, 10.08, 4.957) [0.7537, 0.4963, 0.244]\n", + " PeriodicSite: S (15.67, 10.19, 15.11) [0.7714, 0.5018, 0.7437]\n", + " PeriodicSite: S (5.13, 5.265, 20.19) [0.2525, 0.2592, 0.9938]\n", + " PeriodicSite: S (5.13, 5.03, 10.22) [0.2525, 0.2476, 0.5031]\n", + " PeriodicSite: S (4.786, 15.26, 20.23) [0.2356, 0.7512, 0.996]\n", + " PeriodicSite: S (4.671, 15.16, 10.15) [0.23, 0.7466, 0.4997]\n", + " PeriodicSite: S (15.13, 4.822, 0.06144) [0.7449, 0.2374, 0.003029]\n", + " PeriodicSite: S (15.27, 5.034, 9.981) [0.7517, 0.2478, 0.4914]\n", + " PeriodicSite: S (15.33, 15.46, 0.0306) [0.7546, 0.7611, 0.001512]\n", + " PeriodicSite: S (15.25, 15.12, 10.01) [0.7506, 0.7445, 0.4929]\n", + " PeriodicSite: S (9.267, 4.385, 8.314) [0.4562, 0.2159, 0.4093]\n", + " PeriodicSite: S (8.993, 3.863, 18.89) [0.4428, 0.1902, 0.9299]\n", + " PeriodicSite: S (9.11, 14.15, 9.459) [0.4485, 0.6966, 0.4657]\n", + " PeriodicSite: S (8.594, 14.41, 19.03) [0.4231, 0.7096, 0.9369]\n", + " PeriodicSite: S (19.41, 3.497, 9.13) [0.9554, 0.1721, 0.4495]\n", + " PeriodicSite: S (19.0, 4.218, 19.09) [0.9354, 0.2076, 0.9398]\n", + " PeriodicSite: S (18.87, 14.1, 9.209) [0.9291, 0.6944, 0.4534]\n", + " PeriodicSite: S (18.99, 13.63, 19.09) [0.9349, 0.6712, 0.9397]\n", + " PeriodicSite: S (3.522, 1.131, 1.129) [0.1734, 0.05568, 0.05556]\n", + " PeriodicSite: S (3.742, 0.725, 11.5) [0.1842, 0.03569, 0.5664]\n", + " PeriodicSite: S (4.144, 11.46, 1.549) [0.204, 0.564, 0.07626]\n", + " PeriodicSite: S (3.98, 11.55, 11.16) [0.196, 0.5687, 0.5497]\n", + " PeriodicSite: S (14.0, 1.128, 1.092) [0.6891, 0.05555, 0.05376]\n", + " PeriodicSite: S (13.89, 1.183, 11.38) [0.6838, 0.05826, 0.5604]\n", + " PeriodicSite: S (13.55, 11.36, 1.357) [0.6673, 0.5591, 0.0668]\n", + " PeriodicSite: S (13.98, 11.46, 11.65) [0.6883, 0.5642, 0.5736]\n", + " PeriodicSite: S (6.238, 0.9352, 9.234) [0.3071, 0.04604, 0.4546]\n", + " PeriodicSite: S (6.215, 1.231, 19.52) [0.306, 0.06062, 0.961]\n", + " PeriodicSite: S (6.212, 11.65, 9.01) [0.3058, 0.5737, 0.4436]\n", + " PeriodicSite: S (5.87, 11.25, 18.76) [0.289, 0.5538, 0.9237]\n", + " PeriodicSite: S (16.7, 1.029, 9.081) [0.8223, 0.05063, 0.4471]\n", + " PeriodicSite: S (16.57, 1.335, 19.3) [0.8159, 0.06572, 0.9502]\n", + " PeriodicSite: S (16.22, 11.29, 9.085) [0.7985, 0.5556, 0.4473]\n", + " PeriodicSite: S (15.93, 11.54, 19.05) [0.7845, 0.568, 0.9379]\n", + " PeriodicSite: S (1.093, 3.91, 1.291) [0.05381, 0.1925, 0.06357]\n", + " PeriodicSite: S (1.002, 3.974, 11.93) [0.04935, 0.1956, 0.5874]\n", + " PeriodicSite: S (1.029, 13.64, 1.268) [0.05066, 0.6718, 0.0624]\n", + " PeriodicSite: S (0.7114, 13.87, 11.37) [0.03502, 0.6827, 0.5595]\n", + " PeriodicSite: S (11.02, 3.733, 1.153) [0.5427, 0.1838, 0.05676]\n", + " PeriodicSite: S (11.36, 3.91, 10.83) [0.5594, 0.1925, 0.5332]\n", + " PeriodicSite: S (11.15, 14.07, 1.155) [0.5491, 0.6924, 0.05688]\n", + " PeriodicSite: S (11.58, 14.59, 11.72) [0.5699, 0.7185, 0.5769]\n", + " PeriodicSite: S (2.868, 2.784, 17.95) [0.1412, 0.1371, 0.8836]\n", + " PeriodicSite: S (2.601, 12.62, 7.801) [0.128, 0.6213, 0.384]\n", + " PeriodicSite: S (12.8, 2.527, 7.832) [0.6301, 0.1244, 0.3856]\n", + " PeriodicSite: S (8.962, 9.088, 3.582) [0.4412, 0.4474, 0.1764]\n", + " PeriodicSite: S (9.418, 8.906, 13.88) [0.4636, 0.4385, 0.6831]\n", + " PeriodicSite: S (8.75, 19.14, 3.834) [0.4308, 0.9421, 0.1888]\n", + " PeriodicSite: S (9.291, 19.3, 13.82) [0.4574, 0.9504, 0.6805]\n", + " PeriodicSite: S (18.87, 8.769, 3.922) [0.929, 0.4317, 0.1931]\n", + " PeriodicSite: S (19.57, 9.261, 13.8) [0.9634, 0.4559, 0.6793]\n", + " PeriodicSite: S (19.09, 18.87, 3.693) [0.9397, 0.9288, 0.1818]\n", + " PeriodicSite: S (19.66, 19.3, 14.68) [0.9677, 0.9499, 0.7226]\n", + " PeriodicSite: S (3.495, 6.535, 6.193) [0.1721, 0.3217, 0.3049]\n", + " PeriodicSite: S (3.907, 6.524, 16.14) [0.1923, 0.3212, 0.7947]\n", + " PeriodicSite: S (4.212, 16.44, 6.424) [0.2073, 0.8094, 0.3162]\n", + " PeriodicSite: S (3.804, 16.36, 16.25) [0.1873, 0.8055, 0.8]\n", + " PeriodicSite: S (13.84, 5.899, 6.131) [0.6813, 0.2904, 0.3018]\n", + " PeriodicSite: S (14.02, 6.517, 16.62) [0.6904, 0.3208, 0.8185]\n", + " PeriodicSite: S (13.73, 16.31, 6.057) [0.6757, 0.8028, 0.2982]\n", + " PeriodicSite: S (14.38, 16.18, 16.82) [0.7081, 0.7966, 0.8283]\n", + " PeriodicSite: S (6.101, 6.306, 4.171) [0.3004, 0.3105, 0.2053]\n", + " PeriodicSite: S (6.033, 6.401, 13.66) [0.297, 0.3151, 0.6725]\n", + " PeriodicSite: S (6.428, 16.47, 3.94) [0.3164, 0.8111, 0.194]\n", + " PeriodicSite: S (6.475, 16.44, 14.0) [0.3188, 0.8092, 0.6894]\n", + " PeriodicSite: S (16.12, 6.099, 3.644) [0.7935, 0.3002, 0.1794]\n", + " PeriodicSite: S (16.47, 6.68, 14.39) [0.8109, 0.3288, 0.7085]\n", + " PeriodicSite: S (16.4, 16.61, 4.017) [0.8072, 0.8179, 0.1978]\n", + " PeriodicSite: S (16.56, 16.3, 14.19) [0.815, 0.8027, 0.6984]\n", + " PeriodicSite: S (0.8582, 8.835, 6.509) [0.04225, 0.435, 0.3204]\n", + " PeriodicSite: S (1.783, 8.854, 15.91) [0.08779, 0.4359, 0.7835]\n", + " PeriodicSite: S (1.006, 18.87, 6.301) [0.04952, 0.929, 0.3102]\n", + " PeriodicSite: S (1.466, 19.29, 17.28) [0.07216, 0.9499, 0.8509]\n", + " PeriodicSite: S (11.1, 9.381, 6.212) [0.5467, 0.4618, 0.3058]\n", + " PeriodicSite: S (11.49, 9.354, 16.29) [0.5658, 0.4605, 0.8018]\n", + " PeriodicSite: S (11.3, 19.31, 6.256) [0.5561, 0.9505, 0.308]\n", + " PeriodicSite: S (11.44, 19.15, 16.29) [0.5633, 0.9426, 0.8021]\n", + " PeriodicSite: S (2.399, 17.6, 2.223) [0.1181, 0.8664, 0.1094]\n", + " PeriodicSite: S (2.685, 17.55, 12.91) [0.1322, 0.8641, 0.6357]\n", + " PeriodicSite: S (12.84, 7.493, 12.9) [0.632, 0.3689, 0.635]\n", + " PeriodicSite: S (12.76, 17.73, 2.638) [0.6283, 0.8729, 0.1299]\n", + " PeriodicSite: S (3.338, 4.034, 4.036) [0.1643, 0.1986, 0.1987]\n", + " PeriodicSite: S (3.847, 3.864, 14.17) [0.1894, 0.1902, 0.6978]\n", + " PeriodicSite: S (3.822, 14.31, 3.921) [0.1882, 0.7043, 0.193]\n", + " PeriodicSite: S (4.277, 13.95, 13.94) [0.2105, 0.6867, 0.6862]\n", + " PeriodicSite: S (13.89, 3.631, 3.63) [0.6836, 0.1787, 0.1787]\n", + " PeriodicSite: S (14.39, 4.363, 14.05) [0.7083, 0.2148, 0.6917]\n", + " PeriodicSite: S (14.03, 14.23, 3.518) [0.6906, 0.7007, 0.1732]\n", + " PeriodicSite: S (14.16, 13.76, 14.39) [0.6969, 0.6776, 0.7086]\n", + " PeriodicSite: S (8.796, 1.108, 6.143) [0.4331, 0.05453, 0.3024]\n", + " PeriodicSite: S (9.029, 1.178, 16.4) [0.4445, 0.05799, 0.8072]\n", + " PeriodicSite: S (8.776, 11.59, 5.962) [0.432, 0.5704, 0.2935]\n", + " PeriodicSite: S (9.061, 11.66, 15.85) [0.4461, 0.5739, 0.7804]\n", + " PeriodicSite: S (18.83, 0.9232, 5.993) [0.927, 0.04544, 0.2951]\n", + " PeriodicSite: S (19.26, 1.182, 17.35) [0.9483, 0.05816, 0.8541]\n", + " PeriodicSite: S (18.96, 11.29, 6.25) [0.9336, 0.5556, 0.3077]\n", + " PeriodicSite: S (19.61, 10.99, 16.48) [0.9655, 0.5413, 0.8114]\n", + " PeriodicSite: S (1.211, 0.7318, 4.066) [0.05962, 0.03603, 0.2002]\n", + " PeriodicSite: S (1.321, 1.362, 14.66) [0.06502, 0.06706, 0.7218]\n", + " PeriodicSite: S (1.214, 10.93, 4.074) [0.05975, 0.5383, 0.2006]\n", + " PeriodicSite: S (1.398, 11.42, 13.89) [0.06885, 0.5622, 0.6836]\n", + " PeriodicSite: S (11.21, 1.018, 3.634) [0.5517, 0.0501, 0.1789]\n", + " PeriodicSite: S (11.59, 1.411, 14.04) [0.5704, 0.06947, 0.6913]\n", + " PeriodicSite: S (11.25, 11.47, 3.669) [0.5539, 0.5648, 0.1806]\n", + " PeriodicSite: S (11.29, 11.5, 13.58) [0.556, 0.566, 0.6684]\n", + " PeriodicSite: S (5.744, 4.0, 6.362) [0.2828, 0.1969, 0.3132]\n", + " PeriodicSite: S (6.528, 3.905, 16.1) [0.3214, 0.1923, 0.7925]\n", + " PeriodicSite: S (6.503, 14.12, 6.23) [0.3201, 0.6952, 0.3067]\n", + " PeriodicSite: S (6.275, 14.06, 16.6) [0.3089, 0.692, 0.8173]\n", + " PeriodicSite: S (16.25, 3.765, 6.029) [0.7998, 0.1854, 0.2968]\n", + " PeriodicSite: S (16.6, 4.116, 16.66) [0.8173, 0.2026, 0.82]\n", + " PeriodicSite: S (16.18, 13.9, 6.149) [0.7968, 0.6845, 0.3027]\n", + " PeriodicSite: S (16.82, 13.69, 16.45) [0.8282, 0.6741, 0.8098]\n", + " PeriodicSite: S (7.545, 2.479, 12.85) [0.3714, 0.1221, 0.6324]\n", + " PeriodicSite: S (7.226, 12.78, 2.37) [0.3558, 0.6289, 0.1167]\n", + " PeriodicSite: S (17.92, 2.435, 2.423) [0.8822, 0.1199, 0.1193]\n", + " PeriodicSite: S (17.19, 12.43, 2.493) [0.8465, 0.6121, 0.1227]\n", + " PeriodicSite: S (17.83, 12.55, 12.71) [0.8779, 0.6177, 0.6259]\n", + " PeriodicSite: S (3.763, 9.213, 8.818) [0.1852, 0.4536, 0.4341]\n", + " PeriodicSite: S (3.629, 9.106, 19.45) [0.1786, 0.4483, 0.9577]\n", + " PeriodicSite: S (3.691, 18.97, 8.839) [0.1817, 0.934, 0.4351]\n", + " PeriodicSite: S (4.126, 19.32, 18.85) [0.2031, 0.951, 0.9278]\n", + " PeriodicSite: S (13.53, 9.342, 9.184) [0.6663, 0.4599, 0.4522]\n", + " PeriodicSite: S (13.59, 8.925, 19.33) [0.6691, 0.4394, 0.9514]\n", + " PeriodicSite: S (14.04, 19.0, 9.121) [0.691, 0.9352, 0.449]\n", + " PeriodicSite: S (13.87, 19.34, 18.99) [0.6827, 0.9521, 0.9347]\n", + " PeriodicSite: S (8.627, 6.261, 0.9695) [0.4247, 0.3082, 0.04773]\n", + " PeriodicSite: S (8.947, 6.064, 11.26) [0.4405, 0.2985, 0.5543]\n", + " PeriodicSite: S (9.015, 16.8, 1.056) [0.4438, 0.8272, 0.05197]\n", + " PeriodicSite: S (9.242, 16.56, 11.65) [0.455, 0.8152, 0.5738]\n", + " PeriodicSite: S (18.89, 6.63, 1.129) [0.9299, 0.3264, 0.05557]\n", + " PeriodicSite: S (18.95, 6.238, 11.04) [0.9327, 0.3071, 0.5438]\n", + " PeriodicSite: S (19.0, 16.02, 1.126) [0.9352, 0.7885, 0.05545]\n", + " PeriodicSite: S (18.94, 16.76, 11.37) [0.9323, 0.825, 0.5596]\n", + " PeriodicSite: S (1.186, 5.978, 9.02) [0.05839, 0.2943, 0.444]\n", + " PeriodicSite: S (1.164, 6.522, 19.41) [0.0573, 0.3211, 0.9554]\n", + " PeriodicSite: S (0.9052, 16.42, 9.046) [0.04456, 0.8085, 0.4453]\n", + " PeriodicSite: S (1.162, 15.98, 19.32) [0.05723, 0.7867, 0.9513]\n", + " PeriodicSite: S (11.36, 6.858, 8.994) [0.5593, 0.3376, 0.4428]\n", + " PeriodicSite: S (11.23, 6.514, 19.34) [0.5528, 0.3207, 0.952]\n", + " PeriodicSite: S (11.32, 16.51, 8.914) [0.5571, 0.8129, 0.4388]\n", + " PeriodicSite: S (11.24, 16.43, 18.79) [0.5534, 0.8088, 0.925]\n", + " PeriodicSite: S (6.287, 8.958, 1.138) [0.3095, 0.441, 0.05603]\n", + " PeriodicSite: S (6.408, 9.044, 10.82) [0.3155, 0.4452, 0.5326]\n", + " PeriodicSite: S (5.981, 19.22, 1.521) [0.2945, 0.9462, 0.07488]\n", + " PeriodicSite: S (5.973, 18.64, 11.56) [0.294, 0.9176, 0.569]\n", + " PeriodicSite: S (16.28, 9.058, 0.8616) [0.8017, 0.4459, 0.04242]\n", + " PeriodicSite: S (16.16, 8.889, 11.42) [0.7957, 0.4376, 0.5622]\n", + " PeriodicSite: S (16.39, 19.06, 0.7851) [0.8067, 0.9384, 0.03866]\n", + " PeriodicSite: S (16.63, 19.19, 11.39) [0.8185, 0.9448, 0.5608]\n", + " PeriodicSite: S (7.689, 7.362, 17.3) [0.3786, 0.3624, 0.8516]\n", + " PeriodicSite: S (7.589, 17.66, 7.824) [0.3736, 0.8695, 0.3852]\n", + " PeriodicSite: S (17.42, 7.455, 7.522) [0.8578, 0.367, 0.3703]\n", + " PeriodicSite: S (17.53, 17.69, 7.597) [0.8632, 0.8708, 0.374]\n", + " PeriodicSite: P (4.884, 0.04509, 0.1506) [0.2404, 0.002217, 0.007413]\n", + " PeriodicSite: P (4.917, 19.93, 10.21) [0.2421, 0.9813, 0.5027]\n", + " PeriodicSite: P (5.055, 10.2, 0.03578) [0.2489, 0.5023, 0.001764]\n", + " PeriodicSite: P (5.034, 10.28, 9.934) [0.2478, 0.5061, 0.4891]\n", + " PeriodicSite: P (15.26, 0.1261, 20.15) [0.7513, 0.006205, 0.9921]\n", + " PeriodicSite: P (15.36, 20.22, 10.23) [0.7562, 0.9952, 0.5035]\n", + " PeriodicSite: P (14.8, 10.22, 0.07977) [0.7287, 0.5033, 0.003932]\n", + " PeriodicSite: P (14.92, 10.22, 10.33) [0.7344, 0.5033, 0.5087]\n", + " PeriodicSite: P (4.618, 5.181, 5.225) [0.2273, 0.2551, 0.2572]\n", + " PeriodicSite: P (5.097, 5.239, 14.99) [0.2509, 0.2579, 0.7378]\n", + " PeriodicSite: P (5.289, 15.29, 5.072) [0.2604, 0.7527, 0.2497]\n", + " PeriodicSite: P (5.2, 15.16, 15.24) [0.256, 0.7464, 0.7501]\n", + " PeriodicSite: P (15.1, 4.831, 4.77) [0.7432, 0.2378, 0.2349]\n", + " PeriodicSite: P (15.41, 5.433, 15.46) [0.7588, 0.2675, 0.761]\n", + " PeriodicSite: P (15.01, 15.24, 4.956) [0.7391, 0.7502, 0.244]\n", + " PeriodicSite: P (15.47, 14.93, 15.53) [0.7617, 0.735, 0.7644]\n", + " PeriodicSite: P (20.11, 19.94, 5.117) [0.9898, 0.9817, 0.2519]\n", + " PeriodicSite: P (0.2744, 0.2396, 16.1) [0.01351, 0.0118, 0.7928]\n", + " PeriodicSite: P (20.08, 9.93, 5.183) [0.9885, 0.4889, 0.2551]\n", + " PeriodicSite: P (0.4869, 10.18, 15.08) [0.02397, 0.501, 0.7425]\n", + " PeriodicSite: P (10.04, 20.29, 4.981) [0.4944, 0.9987, 0.2452]\n", + " PeriodicSite: P (10.35, 0.1289, 15.08) [0.5096, 0.006343, 0.7425]\n", + " PeriodicSite: P (9.982, 10.34, 4.809) [0.4914, 0.5093, 0.2367]\n", + " PeriodicSite: P (10.32, 10.4, 14.88) [0.5078, 0.5118, 0.7328]\n", + " PeriodicSite: P (20.24, 5.201, 0.2594) [0.9964, 0.2561, 0.01278]\n", + " PeriodicSite: P (20.29, 4.997, 10.36) [0.9991, 0.246, 0.5098]\n", + " PeriodicSite: P (20.28, 14.66, 20.26) [0.9982, 0.7218, 0.9972]\n", + " PeriodicSite: P (20.0, 15.37, 10.35) [0.9844, 0.7569, 0.5096]\n", + " PeriodicSite: P (9.91, 5.038, 20.25) [0.4879, 0.248, 0.9971]\n", + " PeriodicSite: P (10.19, 5.319, 9.872) [0.5017, 0.2618, 0.486]\n", + " PeriodicSite: P (9.984, 15.42, 20.15) [0.4915, 0.7592, 0.9921]\n", + " PeriodicSite: P (10.32, 15.47, 10.37) [0.5083, 0.7615, 0.5107],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.489, 5.939, 4.043) [0.07329, 0.2924, 0.199]\n", + " PeriodicSite: Li (1.897, 3.463, 15.46) [0.0934, 0.1705, 0.7613]\n", + " PeriodicSite: Li (0.01847, 12.94, 7.155) [0.0009054, 0.6372, 0.3522]\n", + " PeriodicSite: Li (0.3095, 13.69, 17.49) [0.01523, 0.6742, 0.8608]\n", + " PeriodicSite: Li (14.34, 0.9658, 6.938) [0.706, 0.04754, 0.3416]\n", + " PeriodicSite: Li (11.69, 3.409, 15.96) [0.5754, 0.1678, 0.7858]\n", + " PeriodicSite: Li (17.23, 12.22, 5.058) [0.8484, 0.6014, 0.249]\n", + " PeriodicSite: Li (17.51, 8.296, 15.72) [0.8619, 0.4084, 0.7742]\n", + " PeriodicSite: Li (3.696, 4.483, 8.328) [0.1819, 0.2207, 0.41]\n", + " PeriodicSite: Li (2.247, 0.6592, 18.93) [0.1106, 0.03246, 0.9319]\n", + " PeriodicSite: Li (4.868, 8.122, 6.83) [0.2396, 0.3999, 0.3363]\n", + " PeriodicSite: Li (7.161, 10.32, 16.93) [0.3526, 0.5079, 0.8337]\n", + " PeriodicSite: Li (11.98, 4.562, 7.347) [0.59, 0.2246, 0.3617]\n", + " PeriodicSite: Li (13.22, 3.232, 20.25) [0.6508, 0.1591, 0.9969]\n", + " PeriodicSite: Li (12.41, 10.04, 12.13) [0.6108, 0.4941, 0.5973]\n", + " PeriodicSite: Li (9.487, 18.05, 18.97) [0.4671, 0.8888, 0.9337]\n", + " PeriodicSite: Li (5.185, 1.485, 6.926) [0.2553, 0.07312, 0.341]\n", + " PeriodicSite: Li (2.898, 0.3188, 15.78) [0.1427, 0.0157, 0.7769]\n", + " PeriodicSite: Li (3.34, 10.65, 6.982) [0.1644, 0.5244, 0.3437]\n", + " PeriodicSite: Li (6.956, 12.13, 14.75) [0.3425, 0.5973, 0.7262]\n", + " PeriodicSite: Li (12.3, 0.411, 9.123) [0.6054, 0.02023, 0.4491]\n", + " PeriodicSite: Li (10.68, 1.436, 18.37) [0.5258, 0.07069, 0.9041]\n", + " PeriodicSite: Li (14.56, 14.8, 7.818) [0.7166, 0.7285, 0.3849]\n", + " PeriodicSite: Li (12.36, 10.45, 18.46) [0.6083, 0.5147, 0.9088]\n", + " PeriodicSite: Li (0.6356, 4.959, 7.623) [0.03129, 0.2442, 0.3753]\n", + " PeriodicSite: Li (0.3921, 2.706, 17.91) [0.01931, 0.1332, 0.8818]\n", + " PeriodicSite: Li (2.183, 14.93, 7.322) [0.1075, 0.7352, 0.3605]\n", + " PeriodicSite: Li (4.011, 12.97, 20.06) [0.1975, 0.6384, 0.9876]\n", + " PeriodicSite: Li (12.7, 1.663, 5.091) [0.625, 0.08185, 0.2506]\n", + " PeriodicSite: Li (13.78, 0.4103, 16.64) [0.6783, 0.0202, 0.8191]\n", + " PeriodicSite: Li (10.62, 12.43, 10.11) [0.5229, 0.6119, 0.4979]\n", + " PeriodicSite: Li (15.34, 17.21, 18.68) [0.755, 0.8471, 0.9195]\n", + " PeriodicSite: Li (6.694, 0.3134, 3.554) [0.3296, 0.01543, 0.175]\n", + " PeriodicSite: Li (2.155, 20.08, 2.066) [0.1061, 0.9886, 0.1017]\n", + " PeriodicSite: Li (2.987, 13.12, 10.47) [0.147, 0.6459, 0.5153]\n", + " PeriodicSite: Li (1.353, 17.61, 15.11) [0.06662, 0.8669, 0.7438]\n", + " PeriodicSite: Li (15.13, 4.328, 7.543) [0.7449, 0.2131, 0.3713]\n", + " PeriodicSite: Li (15.22, 3.207, 18.49) [0.7495, 0.1579, 0.9104]\n", + " PeriodicSite: Li (17.24, 15.52, 7.97) [0.8487, 0.7639, 0.3924]\n", + " PeriodicSite: Li (10.39, 12.51, 19.46) [0.5117, 0.616, 0.9581]\n", + " PeriodicSite: Li (4.846, 1.934, 4.213) [0.2386, 0.0952, 0.2074]\n", + " PeriodicSite: Li (4.927, 2.45, 17.52) [0.2426, 0.1206, 0.8627]\n", + " PeriodicSite: Li (3.123, 11.89, 4.749) [0.1538, 0.5854, 0.2338]\n", + " PeriodicSite: Li (19.67, 12.59, 2.946) [0.9684, 0.6198, 0.145]\n", + " PeriodicSite: Li (10.08, 2.074, 7.7) [0.4961, 0.1021, 0.3791]\n", + " PeriodicSite: Li (16.97, 20.11, 17.34) [0.8354, 0.9898, 0.8535]\n", + " PeriodicSite: Li (15.12, 11.87, 3.513) [0.7443, 0.5842, 0.173]\n", + " PeriodicSite: Li (14.88, 8.434, 16.84) [0.7326, 0.4152, 0.829]\n", + " PeriodicSite: Li (3.958, 9.827, 17.33) [0.1948, 0.4838, 0.8529]\n", + " PeriodicSite: Li (1.61, 10.75, 9.286) [0.07925, 0.5292, 0.4572]\n", + " PeriodicSite: Li (0.4879, 17.83, 2.185) [0.02401, 0.8777, 0.1076]\n", + " PeriodicSite: Li (2.04, 1.359, 9.67) [0.1004, 0.06691, 0.476]\n", + " PeriodicSite: Li (12.34, 5.17, 3.272) [0.6073, 0.2545, 0.1611]\n", + " PeriodicSite: Li (12.21, 7.347, 15.11) [0.6013, 0.3617, 0.7439]\n", + " PeriodicSite: Li (11.0, 14.5, 7.581) [0.5416, 0.7139, 0.3732]\n", + " PeriodicSite: Li (13.8, 20.14, 13.15) [0.6792, 0.9916, 0.6473]\n", + " PeriodicSite: Li (3.42, 6.836, 0.3697) [0.1684, 0.3366, 0.0182]\n", + " PeriodicSite: Li (2.995, 4.94, 11.59) [0.1475, 0.2432, 0.5704]\n", + " PeriodicSite: Li (6.683, 15.95, 18.53) [0.329, 0.7852, 0.9121]\n", + " PeriodicSite: Li (5.645, 18.23, 15.94) [0.2779, 0.8975, 0.7846]\n", + " PeriodicSite: Li (14.82, 6.731, 1.677) [0.7295, 0.3313, 0.08259]\n", + " PeriodicSite: Li (10.26, 8.29, 11.63) [0.5052, 0.4081, 0.5724]\n", + " PeriodicSite: Li (12.99, 18.74, 4.827) [0.6395, 0.9228, 0.2377]\n", + " PeriodicSite: Li (11.5, 17.47, 14.75) [0.5662, 0.8601, 0.7261]\n", + " PeriodicSite: Li (1.501, 11.34, 0.01455) [0.07388, 0.5585, 0.0007177]\n", + " PeriodicSite: Li (4.739, 7.344, 11.3) [0.2333, 0.3615, 0.5563]\n", + " PeriodicSite: Li (4.233, 17.2, 0.6928) [0.2084, 0.8466, 0.03411]\n", + " PeriodicSite: Li (2.232, 17.67, 10.69) [0.1099, 0.8697, 0.5261]\n", + " PeriodicSite: Li (12.16, 9.43, 0.9442) [0.5986, 0.4643, 0.04649]\n", + " PeriodicSite: Li (11.38, 5.728, 12.63) [0.5602, 0.282, 0.6216]\n", + " PeriodicSite: Li (12.43, 16.24, 3.988) [0.6117, 0.7996, 0.1963]\n", + " PeriodicSite: Li (14.74, 15.63, 12.55) [0.7257, 0.7694, 0.6178]\n", + " PeriodicSite: Li (0.4198, 8.725, 1.976) [0.02066, 0.4296, 0.09727]\n", + " PeriodicSite: Li (17.63, 5.523, 9.387) [0.8677, 0.2719, 0.4621]\n", + " PeriodicSite: Li (2.205, 18.21, 4.895) [0.1085, 0.8967, 0.241]\n", + " PeriodicSite: Li (0.9344, 19.75, 12.97) [0.046, 0.9721, 0.6385]\n", + " PeriodicSite: Li (10.58, 7.444, 4.048) [0.5208, 0.3665, 0.1993]\n", + " PeriodicSite: Li (15.13, 8.594, 13.31) [0.7449, 0.4231, 0.6555]\n", + " PeriodicSite: Li (12.91, 15.96, 0.4456) [0.6356, 0.7856, 0.02194]\n", + " PeriodicSite: Li (10.94, 14.67, 17.14) [0.5385, 0.7223, 0.8438]\n", + " PeriodicSite: Li (6.579, 8.647, 3.858) [0.3239, 0.4257, 0.1899]\n", + " PeriodicSite: Li (20.0, 12.24, 12.09) [0.9844, 0.6023, 0.5954]\n", + " PeriodicSite: Li (18.42, 16.02, 5.096) [0.9069, 0.7888, 0.2509]\n", + " PeriodicSite: Li (4.454, 19.22, 13.18) [0.2193, 0.9465, 0.6487]\n", + " PeriodicSite: Li (16.97, 9.944, 3.149) [0.8354, 0.4895, 0.1551]\n", + " PeriodicSite: Li (12.86, 7.003, 10.39) [0.6332, 0.3448, 0.5114]\n", + " PeriodicSite: Li (12.53, 19.67, 0.5445) [0.6166, 0.9684, 0.02681]\n", + " PeriodicSite: Li (13.57, 17.31, 10.69) [0.6683, 0.8522, 0.5263]\n", + " PeriodicSite: Li (3.503, 3.328, 20.3) [0.1725, 0.1639, 0.9992]\n", + " PeriodicSite: Li (3.279, 9.95, 13.96) [0.1614, 0.4899, 0.6871]\n", + " PeriodicSite: Li (4.76, 18.78, 3.437) [0.2343, 0.9244, 0.1692]\n", + " PeriodicSite: Li (1.736, 15.31, 13.59) [0.08545, 0.7537, 0.6693]\n", + " PeriodicSite: Li (13.13, 9.846, 4.067) [0.6464, 0.4847, 0.2003]\n", + " PeriodicSite: Li (15.14, 5.667, 11.94) [0.7453, 0.279, 0.5879]\n", + " PeriodicSite: Li (15.13, 16.68, 1.836) [0.745, 0.8213, 0.09039]\n", + " PeriodicSite: Li (19.14, 4.834, 13.38) [0.9425, 0.238, 0.6589]\n", + " PeriodicSite: Li (9.584, 3.335, 3.247) [0.4718, 0.1642, 0.1599]\n", + " PeriodicSite: Li (9.867, 2.17, 11.88) [0.4858, 0.1068, 0.585]\n", + " PeriodicSite: Li (6.39, 12.33, 4.404) [0.3146, 0.607, 0.2168]\n", + " PeriodicSite: Li (4.461, 12.44, 16.03) [0.2196, 0.6122, 0.7892]\n", + " PeriodicSite: Li (18.68, 2.922, 5.068) [0.9196, 0.1439, 0.2495]\n", + " PeriodicSite: Li (13.02, 2.986, 9.829) [0.6409, 0.147, 0.4839]\n", + " PeriodicSite: Li (18.16, 11.74, 0.4291) [0.8942, 0.578, 0.02113]\n", + " PeriodicSite: Li (17.62, 10.22, 13.4) [0.8672, 0.5031, 0.6599]\n", + " PeriodicSite: Li (5.742, 18.4, 6.162) [0.2827, 0.9057, 0.3034]\n", + " PeriodicSite: Li (8.294, 3.143, 15.0) [0.4083, 0.1547, 0.7384]\n", + " PeriodicSite: Li (6.878, 13.1, 0.08197) [0.3386, 0.6447, 0.004038]\n", + " PeriodicSite: Li (9.934, 13.66, 13.52) [0.489, 0.6726, 0.6656]\n", + " PeriodicSite: Li (14.71, 19.19, 2.734) [0.7244, 0.945, 0.1346]\n", + " PeriodicSite: Li (18.67, 1.735, 10.56) [0.919, 0.0854, 0.5199]\n", + " PeriodicSite: Li (17.08, 14.72, 1.731) [0.8407, 0.7248, 0.08523]\n", + " PeriodicSite: Li (18.18, 14.81, 12.57) [0.8948, 0.729, 0.6188]\n", + " PeriodicSite: Li (7.782, 5.292, 5.851) [0.3831, 0.2605, 0.288]\n", + " PeriodicSite: Li (7.436, 0.1839, 14.58) [0.3661, 0.00905, 0.7179]\n", + " PeriodicSite: Li (9.661, 13.14, 2.926) [0.4756, 0.6469, 0.1441]\n", + " PeriodicSite: Li (5.781, 13.32, 11.36) [0.2846, 0.6555, 0.5591]\n", + " PeriodicSite: Li (20.08, 2.785, 2.238) [0.9887, 0.1371, 0.1102]\n", + " PeriodicSite: Li (0.1202, 7.817, 11.87) [0.005918, 0.3849, 0.5843]\n", + " PeriodicSite: Li (14.59, 13.05, 0.7637) [0.7185, 0.6426, 0.03761]\n", + " PeriodicSite: Li (15.61, 12.07, 13.71) [0.7683, 0.5941, 0.6751]\n", + " PeriodicSite: Li (2.299, 0.7133, 6.231) [0.1132, 0.03511, 0.3067]\n", + " PeriodicSite: Li (5.229, 2.132, 13.58) [0.2574, 0.105, 0.6687]\n", + " PeriodicSite: Li (5.202, 13.38, 2.138) [0.2561, 0.6589, 0.1053]\n", + " PeriodicSite: Li (8.208, 6.847, 15.24) [0.4041, 0.3371, 0.7502]\n", + " PeriodicSite: Li (17.15, 4.762, 2.21) [0.8444, 0.2344, 0.1088]\n", + " PeriodicSite: Li (17.37, 0.02999, 13.35) [0.8552, 0.00147, 0.657]\n", + " PeriodicSite: Li (14.48, 14.4, 18.37) [0.7129, 0.7089, 0.9041]\n", + " PeriodicSite: Li (16.85, 13.49, 10.65) [0.8295, 0.6641, 0.5244]\n", + " PeriodicSite: Li (6.991, 3.757, 0.372) [0.3442, 0.1849, 0.01832]\n", + " PeriodicSite: Li (5.889, 2.975, 10.79) [0.2899, 0.1465, 0.531]\n", + " PeriodicSite: Li (8.753, 10.3, 1.634) [0.4309, 0.507, 0.08047]\n", + " PeriodicSite: Li (7.864, 10.74, 11.26) [0.3871, 0.5287, 0.5543]\n", + " PeriodicSite: Li (16.51, 1.502, 4.535) [0.8129, 0.07392, 0.2233]\n", + " PeriodicSite: Li (16.03, 3.104, 10.74) [0.7893, 0.1528, 0.5289]\n", + " PeriodicSite: Li (0.2942, 9.688, 17.91) [0.01449, 0.477, 0.8815]\n", + " PeriodicSite: Li (18.77, 13.21, 15.02) [0.924, 0.6505, 0.7395]\n", + " PeriodicSite: Li (8.479, 0.2865, 1.219) [0.4175, 0.0141, 0.05999]\n", + " PeriodicSite: Li (7.692, 0.4101, 11.19) [0.3787, 0.02019, 0.5509]\n", + " PeriodicSite: Li (7.991, 14.66, 4.44) [0.3934, 0.7216, 0.2186]\n", + " PeriodicSite: Li (4.375, 16.02, 12.7) [0.2154, 0.7886, 0.6254]\n", + " PeriodicSite: Li (15.68, 2.775, 1.388) [0.7719, 0.1366, 0.06835]\n", + " PeriodicSite: Li (2.206, 7.296, 14.79) [0.1086, 0.3592, 0.7281]\n", + " PeriodicSite: Li (4.794, 13.52, 8.073) [0.236, 0.6656, 0.3975]\n", + " PeriodicSite: Li (13.49, 13.47, 10.17) [0.6642, 0.6632, 0.5009]\n", + " PeriodicSite: Li (14.06, 10.91, 7.235) [0.6919, 0.5371, 0.3562]\n", + " PeriodicSite: Li (5.864, 8.043, 15.71) [0.2887, 0.3959, 0.7733]\n", + " PeriodicSite: Li (7.136, 16.32, 9.957) [0.3513, 0.8033, 0.4902]\n", + " PeriodicSite: Li (3.439, 15.03, 18.17) [0.1693, 0.7398, 0.8945]\n", + " PeriodicSite: Li (16.92, 9.716, 6.615) [0.8329, 0.4783, 0.3257]\n", + " PeriodicSite: Li (3.207, 4.991, 18.51) [0.1579, 0.2457, 0.9112]\n", + " PeriodicSite: Li (17.44, 19.15, 5.336) [0.8586, 0.9426, 0.2627]\n", + " PeriodicSite: Li (0.0007732, 18.33, 18.84) [3.478e-05, 0.9026, 0.9275]\n", + " PeriodicSite: Li (6.851, 10.27, 6.578) [0.3373, 0.5057, 0.3238]\n", + " PeriodicSite: Li (9.434, 5.989, 17.49) [0.4644, 0.2949, 0.8609]\n", + " PeriodicSite: Li (7.953, 20.28, 8.127) [0.3916, 0.9986, 0.4001]\n", + " PeriodicSite: Li (8.285, 16.91, 14.96) [0.4079, 0.8323, 0.7366]\n", + " PeriodicSite: Li (17.82, 9.533, 9.132) [0.8773, 0.4693, 0.4496]\n", + " PeriodicSite: Li (16.91, 5.632, 18.66) [0.8326, 0.2773, 0.9186]\n", + " PeriodicSite: Li (18.53, 19.64, 8.093) [0.912, 0.967, 0.3984]\n", + " PeriodicSite: Li (18.54, 16.99, 15.83) [0.913, 0.8363, 0.7793]\n", + " PeriodicSite: Li (7.027, 5.997, 9.343) [0.3459, 0.2952, 0.46]\n", + " PeriodicSite: Li (5.966, 5.826, 17.73) [0.2937, 0.2868, 0.873]\n", + " PeriodicSite: Li (9.248, 18.16, 9.384) [0.4553, 0.894, 0.462]\n", + " PeriodicSite: Li (13.25, 10.65, 15.23) [0.6525, 0.5241, 0.7496]\n", + " PeriodicSite: Li (20.01, 8.15, 7.941) [0.9849, 0.4012, 0.3909]\n", + " PeriodicSite: Li (19.95, 5.962, 17.38) [0.9823, 0.2935, 0.8556]\n", + " PeriodicSite: Li (16.9, 17.12, 10.15) [0.8322, 0.843, 0.4997]\n", + " PeriodicSite: Li (17.81, 15.7, 19.49) [0.8769, 0.7731, 0.9596]\n", + " PeriodicSite: Li (9.698, 8.584, 7.865) [0.4774, 0.4226, 0.3872]\n", + " PeriodicSite: Li (5.871, 5.928, 1.707) [0.289, 0.2919, 0.08403]\n", + " PeriodicSite: Li (5.074, 16.89, 8.507) [0.2498, 0.8313, 0.4188]\n", + " PeriodicSite: Li (7.012, 15.3, 1.608) [0.3452, 0.753, 0.07916]\n", + " PeriodicSite: Li (15.49, 7.037, 8.496) [0.7624, 0.3464, 0.4183]\n", + " PeriodicSite: Li (18.41, 7.834, 19.93) [0.9062, 0.3857, 0.9814]\n", + " PeriodicSite: Li (15.38, 18.25, 6.582) [0.7569, 0.8987, 0.324]\n", + " PeriodicSite: Li (14.87, 17.97, 14.87) [0.7322, 0.8849, 0.732]\n", + " PeriodicSite: Li (7.241, 4.594, 12.12) [0.3565, 0.2262, 0.5969]\n", + " PeriodicSite: Li (7.539, 7.512, 19.76) [0.3712, 0.3698, 0.9728]\n", + " PeriodicSite: Li (8.861, 17.71, 6.17) [0.4362, 0.8718, 0.3038]\n", + " PeriodicSite: Li (10.31, 18.02, 2.229) [0.5077, 0.887, 0.1098]\n", + " PeriodicSite: Li (15.31, 7.975, 5.301) [0.7538, 0.3926, 0.261]\n", + " PeriodicSite: Li (13.65, 6.051, 18.88) [0.6719, 0.2979, 0.9295]\n", + " PeriodicSite: Li (19.7, 17.09, 7.263) [0.9699, 0.8414, 0.3576]\n", + " PeriodicSite: Li (17.97, 0.6146, 0.8377) [0.8848, 0.03025, 0.04124]\n", + " PeriodicSite: Li (3.24, 8.804, 4.226) [0.1595, 0.4334, 0.208]\n", + " PeriodicSite: Li (9.632, 8.57, 18.08) [0.4742, 0.4219, 0.8901]\n", + " PeriodicSite: Li (7.969, 15.3, 7.47) [0.3923, 0.7531, 0.3678]\n", + " PeriodicSite: Li (6.142, 20.26, 17.69) [0.3024, 0.9975, 0.8708]\n", + " PeriodicSite: Li (18.56, 6.8, 5.77) [0.9138, 0.3347, 0.2841]\n", + " PeriodicSite: Li (16.14, 11.42, 16.96) [0.7947, 0.5622, 0.835]\n", + " PeriodicSite: Li (2.693, 15.36, 2.665) [0.1326, 0.7562, 0.1312]\n", + " PeriodicSite: Li (16.06, 2.452, 14.88) [0.7909, 0.1207, 0.7326]\n", + " PeriodicSite: Cl (8.047, 12.71, 12.64) [0.3962, 0.6256, 0.6224]\n", + " PeriodicSite: Cl (2.587, 12.72, 17.64) [0.1274, 0.6264, 0.8686]\n", + " PeriodicSite: Cl (13.45, 17.58, 13.07) [0.6622, 0.8656, 0.6434]\n", + " PeriodicSite: Cl (18.02, 7.475, 17.78) [0.8869, 0.368, 0.8755]\n", + " PeriodicSite: Cl (7.46, 2.257, 2.628) [0.3673, 0.1111, 0.1294]\n", + " PeriodicSite: Cl (7.565, 7.546, 7.116) [0.3725, 0.3715, 0.3503]\n", + " PeriodicSite: Cl (12.66, 13.05, 8.069) [0.6232, 0.6425, 0.3972]\n", + " PeriodicSite: Cl (2.574, 7.609, 2.487) [0.1267, 0.3746, 0.1225]\n", + " PeriodicSite: Cl (2.707, 7.822, 12.39) [0.1333, 0.3851, 0.6101]\n", + " PeriodicSite: Cl (12.39, 12.75, 18.05) [0.6102, 0.6279, 0.8884]\n", + " PeriodicSite: Cl (17.83, 17.49, 17.9) [0.8779, 0.8611, 0.8813]\n", + " PeriodicSite: Cl (2.802, 2.389, 7.768) [0.138, 0.1176, 0.3824]\n", + " PeriodicSite: Cl (12.75, 3.011, 18.0) [0.6276, 0.1482, 0.886]\n", + " PeriodicSite: Cl (12.64, 7.705, 2.826) [0.6221, 0.3793, 0.1391]\n", + " PeriodicSite: Cl (17.66, 2.633, 12.78) [0.8694, 0.1296, 0.6293]\n", + " PeriodicSite: Cl (7.244, 18.12, 17.67) [0.3566, 0.8922, 0.8701]\n", + " PeriodicSite: Cl (0.01846, 20.05, 0.2788) [0.0008995, 0.9871, 0.01373]\n", + " PeriodicSite: Cl (0.1034, 20.3, 10.37) [0.005082, 0.9996, 0.5104]\n", + " PeriodicSite: Cl (19.76, 9.932, 20.17) [0.973, 0.489, 0.9928]\n", + " PeriodicSite: Cl (19.73, 9.921, 9.878) [0.9715, 0.4884, 0.4863]\n", + " PeriodicSite: Cl (10.21, 20.05, 20.12) [0.5027, 0.987, 0.9903]\n", + " PeriodicSite: Cl (10.01, 0.4947, 9.804) [0.4927, 0.02435, 0.4827]\n", + " PeriodicSite: Cl (10.27, 10.22, 20.12) [0.5054, 0.5032, 0.9908]\n", + " PeriodicSite: Cl (10.12, 10.25, 9.907) [0.4981, 0.5048, 0.4877]\n", + " PeriodicSite: Cl (19.99, 5.062, 5.602) [0.984, 0.2492, 0.2758]\n", + " PeriodicSite: Cl (0.4246, 5.599, 15.25) [0.0209, 0.2756, 0.7509]\n", + " PeriodicSite: Cl (0.1696, 15.09, 5.69) [0.008342, 0.7428, 0.2801]\n", + " PeriodicSite: Cl (0.01928, 15.4, 15.62) [0.0009465, 0.7583, 0.7688]\n", + " PeriodicSite: Cl (10.31, 5.212, 4.713) [0.5077, 0.2566, 0.232]\n", + " PeriodicSite: Cl (10.39, 5.526, 15.2) [0.5115, 0.2721, 0.7483]\n", + " PeriodicSite: Cl (10.27, 15.15, 5.402) [0.5055, 0.7457, 0.266]\n", + " PeriodicSite: Cl (10.27, 15.53, 15.09) [0.5056, 0.7643, 0.7428]\n", + " PeriodicSite: S (4.927, 20.16, 5.154) [0.2425, 0.9924, 0.2537]\n", + " PeriodicSite: S (5.209, 0.3473, 15.28) [0.2565, 0.0171, 0.7522]\n", + " PeriodicSite: S (4.864, 10.24, 5.156) [0.2395, 0.5041, 0.2538]\n", + " PeriodicSite: S (5.373, 10.35, 15.4) [0.2645, 0.5095, 0.7584]\n", + " PeriodicSite: S (15.02, 20.01, 5.049) [0.7395, 0.9849, 0.2486]\n", + " PeriodicSite: S (15.53, 0.01563, 15.01) [0.7645, 0.0007634, 0.7389]\n", + " PeriodicSite: S (15.24, 10.34, 5.081) [0.7501, 0.5089, 0.2501]\n", + " PeriodicSite: S (15.52, 9.967, 15.14) [0.7641, 0.4907, 0.7456]\n", + " PeriodicSite: S (5.106, 5.198, 20.01) [0.2514, 0.2559, 0.9849]\n", + " PeriodicSite: S (5.172, 5.009, 10.29) [0.2546, 0.2466, 0.5067]\n", + " PeriodicSite: S (5.018, 14.93, 0.203) [0.247, 0.735, 0.009997]\n", + " PeriodicSite: S (5.112, 15.13, 10.09) [0.2517, 0.7448, 0.4968]\n", + " PeriodicSite: S (15.38, 4.991, 0.07608) [0.757, 0.2457, 0.00375]\n", + " PeriodicSite: S (15.07, 4.935, 9.795) [0.7421, 0.2429, 0.4822]\n", + " PeriodicSite: S (15.28, 15.25, 0.06654) [0.752, 0.7507, 0.003281]\n", + " PeriodicSite: S (15.28, 15.3, 10.28) [0.7523, 0.7534, 0.5061]\n", + " PeriodicSite: S (8.86, 4.047, 8.604) [0.4362, 0.1992, 0.4236]\n", + " PeriodicSite: S (9.163, 3.88, 19.09) [0.4511, 0.191, 0.94]\n", + " PeriodicSite: S (9.343, 14.15, 9.269) [0.4599, 0.6966, 0.4563]\n", + " PeriodicSite: S (8.542, 14.27, 19.03) [0.4205, 0.7026, 0.9369]\n", + " PeriodicSite: S (19.26, 3.804, 9.141) [0.9481, 0.1873, 0.45]\n", + " PeriodicSite: S (19.07, 4.174, 19.07) [0.939, 0.2055, 0.9387]\n", + " PeriodicSite: S (18.81, 13.89, 9.039) [0.9262, 0.6839, 0.445]\n", + " PeriodicSite: S (19.01, 13.55, 19.59) [0.9359, 0.6668, 0.9643]\n", + " PeriodicSite: S (3.748, 1.468, 1.253) [0.1845, 0.07225, 0.06167]\n", + " PeriodicSite: S (4.018, 1.047, 11.78) [0.1978, 0.05153, 0.5797]\n", + " PeriodicSite: S (3.867, 11.27, 1.297) [0.1904, 0.555, 0.06385]\n", + " PeriodicSite: S (4.011, 11.13, 11.27) [0.1975, 0.5481, 0.555]\n", + " PeriodicSite: S (14.13, 0.9504, 1.322) [0.6955, 0.04678, 0.0651]\n", + " PeriodicSite: S (14.13, 1.281, 11.18) [0.6956, 0.06306, 0.5505]\n", + " PeriodicSite: S (13.84, 11.01, 1.517) [0.6816, 0.5422, 0.0747]\n", + " PeriodicSite: S (14.46, 11.5, 11.29) [0.7117, 0.5661, 0.556]\n", + " PeriodicSite: S (6.434, 1.029, 9.369) [0.3168, 0.05064, 0.4613]\n", + " PeriodicSite: S (6.377, 1.448, 19.4) [0.3139, 0.0713, 0.9552]\n", + " PeriodicSite: S (6.264, 11.47, 8.942) [0.3084, 0.5647, 0.4402]\n", + " PeriodicSite: S (5.916, 11.51, 18.97) [0.2913, 0.5667, 0.9341]\n", + " PeriodicSite: S (16.64, 1.181, 9.127) [0.819, 0.05815, 0.4494]\n", + " PeriodicSite: S (16.57, 1.321, 19.29) [0.8156, 0.06504, 0.9496]\n", + " PeriodicSite: S (16.18, 11.21, 8.585) [0.7966, 0.552, 0.4226]\n", + " PeriodicSite: S (15.87, 11.75, 19.46) [0.7812, 0.5784, 0.9578]\n", + " PeriodicSite: S (1.431, 4.362, 1.099) [0.07046, 0.2147, 0.05411]\n", + " PeriodicSite: S (0.9104, 3.971, 11.75) [0.04482, 0.1955, 0.5786]\n", + " PeriodicSite: S (1.177, 13.43, 1.34) [0.05796, 0.6613, 0.06599]\n", + " PeriodicSite: S (1.013, 14.19, 11.46) [0.04987, 0.6986, 0.5643]\n", + " PeriodicSite: S (11.39, 4.19, 1.203) [0.5606, 0.2063, 0.05925]\n", + " PeriodicSite: S (11.13, 3.98, 11.16) [0.5479, 0.1959, 0.5494]\n", + " PeriodicSite: S (11.02, 14.04, 1.02) [0.5426, 0.6913, 0.05024]\n", + " PeriodicSite: S (11.39, 14.35, 11.73) [0.5608, 0.7064, 0.5773]\n", + " PeriodicSite: S (2.694, 2.7, 17.72) [0.1326, 0.1329, 0.8724]\n", + " PeriodicSite: S (2.447, 12.62, 7.707) [0.1205, 0.6212, 0.3794]\n", + " PeriodicSite: S (12.54, 2.17, 7.582) [0.6175, 0.1068, 0.3733]\n", + " PeriodicSite: S (9.062, 9.201, 3.742) [0.4461, 0.453, 0.1842]\n", + " PeriodicSite: S (8.817, 9.257, 14.05) [0.4341, 0.4557, 0.6915]\n", + " PeriodicSite: S (8.664, 18.94, 3.663) [0.4265, 0.9324, 0.1803]\n", + " PeriodicSite: S (9.5, 18.97, 13.88) [0.4677, 0.9341, 0.6835]\n", + " PeriodicSite: S (18.93, 8.865, 3.964) [0.9318, 0.4364, 0.1952]\n", + " PeriodicSite: S (19.6, 8.636, 14.23) [0.9652, 0.4252, 0.7003]\n", + " PeriodicSite: S (19.21, 18.73, 3.623) [0.9455, 0.9222, 0.1783]\n", + " PeriodicSite: S (19.25, 19.07, 14.69) [0.9478, 0.9391, 0.7233]\n", + " PeriodicSite: S (3.39, 6.303, 6.099) [0.1669, 0.3103, 0.3003]\n", + " PeriodicSite: S (4.076, 6.232, 16.32) [0.2007, 0.3068, 0.8037]\n", + " PeriodicSite: S (3.895, 16.44, 6.43) [0.1918, 0.8093, 0.3166]\n", + " PeriodicSite: S (3.693, 16.44, 16.4) [0.1818, 0.8092, 0.8073]\n", + " PeriodicSite: S (13.91, 5.73, 6.019) [0.6847, 0.2821, 0.2963]\n", + " PeriodicSite: S (13.92, 6.482, 16.51) [0.6853, 0.3191, 0.813]\n", + " PeriodicSite: S (13.82, 16.47, 6.144) [0.6805, 0.8108, 0.3025]\n", + " PeriodicSite: S (14.08, 16.19, 16.74) [0.6932, 0.7972, 0.824]\n", + " PeriodicSite: S (5.972, 6.091, 3.994) [0.294, 0.2999, 0.1966]\n", + " PeriodicSite: S (6.206, 6.371, 13.69) [0.3055, 0.3136, 0.6742]\n", + " PeriodicSite: S (6.244, 16.54, 4.103) [0.3074, 0.8145, 0.202]\n", + " PeriodicSite: S (6.268, 16.23, 14.08) [0.3086, 0.7991, 0.6932]\n", + " PeriodicSite: S (16.31, 6.195, 3.934) [0.803, 0.305, 0.1937]\n", + " PeriodicSite: S (16.52, 6.456, 14.04) [0.8131, 0.3178, 0.691]\n", + " PeriodicSite: S (16.37, 16.55, 3.812) [0.8061, 0.8149, 0.1877]\n", + " PeriodicSite: S (16.59, 16.0, 14.18) [0.8167, 0.7876, 0.6983]\n", + " PeriodicSite: S (1.214, 8.709, 6.029) [0.05978, 0.4288, 0.2968]\n", + " PeriodicSite: S (1.874, 9.173, 16.18) [0.09225, 0.4516, 0.7966]\n", + " PeriodicSite: S (0.7428, 19.12, 6.447) [0.03656, 0.9413, 0.3174]\n", + " PeriodicSite: S (1.568, 19.23, 17.04) [0.07717, 0.9466, 0.8388]\n", + " PeriodicSite: S (11.35, 9.494, 6.183) [0.5586, 0.4674, 0.3044]\n", + " PeriodicSite: S (11.39, 9.467, 16.44) [0.5606, 0.4661, 0.8093]\n", + " PeriodicSite: S (10.84, 19.13, 5.981) [0.5337, 0.9416, 0.2944]\n", + " PeriodicSite: S (11.53, 19.4, 16.37) [0.5676, 0.9552, 0.8058]\n", + " PeriodicSite: S (2.686, 17.76, 2.765) [0.1323, 0.8745, 0.1361]\n", + " PeriodicSite: S (2.491, 17.79, 13.03) [0.1226, 0.8758, 0.6416]\n", + " PeriodicSite: S (12.59, 7.665, 12.67) [0.62, 0.3774, 0.6237]\n", + " PeriodicSite: S (12.87, 17.85, 2.133) [0.6338, 0.8785, 0.105]\n", + " PeriodicSite: S (3.382, 3.878, 3.913) [0.1665, 0.1909, 0.1926]\n", + " PeriodicSite: S (3.66, 3.996, 13.78) [0.1802, 0.1967, 0.6782]\n", + " PeriodicSite: S (3.913, 13.94, 4.103) [0.1926, 0.6864, 0.202]\n", + " PeriodicSite: S (4.152, 13.84, 13.96) [0.2044, 0.6811, 0.6873]\n", + " PeriodicSite: S (14.28, 3.651, 3.385) [0.7029, 0.1798, 0.1667]\n", + " PeriodicSite: S (14.07, 4.059, 14.39) [0.6925, 0.1998, 0.7083]\n", + " PeriodicSite: S (13.86, 14.24, 3.653) [0.6822, 0.7009, 0.1798]\n", + " PeriodicSite: S (14.04, 13.79, 14.46) [0.691, 0.6789, 0.7117]\n", + " PeriodicSite: S (8.66, 1.296, 5.704) [0.4263, 0.06382, 0.2808]\n", + " PeriodicSite: S (8.935, 0.9349, 16.53) [0.4399, 0.04602, 0.8138]\n", + " PeriodicSite: S (8.53, 11.53, 5.857) [0.42, 0.5674, 0.2883]\n", + " PeriodicSite: S (9.001, 11.74, 16.2) [0.4431, 0.5778, 0.7977]\n", + " PeriodicSite: S (18.71, 0.7781, 5.991) [0.9213, 0.0383, 0.295]\n", + " PeriodicSite: S (19.05, 0.9769, 16.95) [0.9379, 0.04809, 0.8345]\n", + " PeriodicSite: S (19.24, 11.19, 6.358) [0.9472, 0.5511, 0.313]\n", + " PeriodicSite: S (19.47, 11.08, 16.51) [0.9586, 0.5456, 0.8127]\n", + " PeriodicSite: S (1.042, 1.026, 3.96) [0.05128, 0.05052, 0.195]\n", + " PeriodicSite: S (1.146, 1.206, 14.46) [0.05643, 0.05938, 0.7119]\n", + " PeriodicSite: S (1.04, 10.85, 3.674) [0.05121, 0.534, 0.1809]\n", + " PeriodicSite: S (1.058, 11.58, 13.84) [0.0521, 0.57, 0.6811]\n", + " PeriodicSite: S (10.94, 1.165, 3.432) [0.5386, 0.05733, 0.169]\n", + " PeriodicSite: S (10.98, 1.909, 14.25) [0.5404, 0.09399, 0.7014]\n", + " PeriodicSite: S (11.41, 11.83, 4.195) [0.5616, 0.5822, 0.2065]\n", + " PeriodicSite: S (11.32, 11.5, 13.9) [0.5575, 0.5661, 0.6843]\n", + " PeriodicSite: S (5.69, 4.016, 6.477) [0.2801, 0.1977, 0.3189]\n", + " PeriodicSite: S (6.331, 3.944, 16.01) [0.3117, 0.1941, 0.788]\n", + " PeriodicSite: S (6.333, 14.01, 6.117) [0.3118, 0.6899, 0.3012]\n", + " PeriodicSite: S (5.865, 14.04, 16.84) [0.2888, 0.6911, 0.8289]\n", + " PeriodicSite: S (16.31, 3.413, 5.987) [0.8027, 0.168, 0.2948]\n", + " PeriodicSite: S (16.51, 4.25, 16.66) [0.8127, 0.2092, 0.8203]\n", + " PeriodicSite: S (16.19, 14.15, 6.068) [0.7972, 0.6968, 0.2988]\n", + " PeriodicSite: S (16.52, 14.08, 16.89) [0.8133, 0.6932, 0.8316]\n", + " PeriodicSite: S (7.521, 2.263, 12.55) [0.3702, 0.1114, 0.6178]\n", + " PeriodicSite: S (7.571, 13.27, 2.422) [0.3727, 0.6532, 0.1192]\n", + " PeriodicSite: S (17.69, 2.503, 2.47) [0.8707, 0.1232, 0.1216]\n", + " PeriodicSite: S (17.4, 12.24, 2.665) [0.8566, 0.6027, 0.1312]\n", + " PeriodicSite: S (17.63, 12.63, 12.97) [0.868, 0.622, 0.6385]\n", + " PeriodicSite: S (3.794, 8.92, 8.882) [0.1868, 0.4391, 0.4373]\n", + " PeriodicSite: S (3.729, 8.839, 19.39) [0.1836, 0.4352, 0.9545]\n", + " PeriodicSite: S (3.696, 19.26, 9.268) [0.1819, 0.9484, 0.4563]\n", + " PeriodicSite: S (4.105, 19.36, 19.23) [0.2021, 0.953, 0.9468]\n", + " PeriodicSite: S (13.67, 9.075, 8.911) [0.673, 0.4468, 0.4387]\n", + " PeriodicSite: S (13.85, 8.958, 19.03) [0.6818, 0.441, 0.9368]\n", + " PeriodicSite: S (14.41, 18.93, 9.096) [0.7092, 0.9322, 0.4478]\n", + " PeriodicSite: S (14.16, 19.33, 18.84) [0.697, 0.9515, 0.9274]\n", + " PeriodicSite: S (8.541, 5.941, 1.203) [0.4205, 0.2925, 0.0592]\n", + " PeriodicSite: S (8.979, 6.226, 11.34) [0.442, 0.3065, 0.5584]\n", + " PeriodicSite: S (8.599, 16.79, 0.8469) [0.4233, 0.8264, 0.0417]\n", + " PeriodicSite: S (9.029, 16.89, 11.34) [0.4445, 0.8316, 0.5585]\n", + " PeriodicSite: S (19.34, 6.637, 1.457) [0.9521, 0.3267, 0.07175]\n", + " PeriodicSite: S (18.75, 6.182, 11.34) [0.923, 0.3043, 0.5585]\n", + " PeriodicSite: S (19.35, 16.03, 1.332) [0.9527, 0.7892, 0.06557]\n", + " PeriodicSite: S (18.83, 16.58, 11.2) [0.9268, 0.8161, 0.5514]\n", + " PeriodicSite: S (1.175, 6.507, 9.468) [0.05786, 0.3204, 0.4661]\n", + " PeriodicSite: S (1.261, 6.439, 18.93) [0.06209, 0.317, 0.9319]\n", + " PeriodicSite: S (1.021, 16.11, 8.946) [0.05025, 0.7931, 0.4404]\n", + " PeriodicSite: S (1.031, 15.82, 18.97) [0.05077, 0.779, 0.934]\n", + " PeriodicSite: S (11.13, 6.404, 8.643) [0.5479, 0.3153, 0.4255]\n", + " PeriodicSite: S (10.97, 6.454, 19.13) [0.5399, 0.3177, 0.9416]\n", + " PeriodicSite: S (11.49, 16.79, 9.16) [0.5658, 0.8264, 0.451]\n", + " PeriodicSite: S (11.23, 16.32, 18.9) [0.5527, 0.8033, 0.9303]\n", + " PeriodicSite: S (6.61, 9.116, 0.8054) [0.3254, 0.4488, 0.03965]\n", + " PeriodicSite: S (6.534, 8.99, 11.09) [0.3217, 0.4426, 0.5457]\n", + " PeriodicSite: S (6.399, 19.43, 1.348) [0.315, 0.9565, 0.06636]\n", + " PeriodicSite: S (6.282, 18.85, 11.44) [0.3093, 0.9278, 0.5633]\n", + " PeriodicSite: S (16.31, 8.848, 1.03) [0.8032, 0.4356, 0.0507]\n", + " PeriodicSite: S (16.26, 8.579, 11.05) [0.8003, 0.4224, 0.5442]\n", + " PeriodicSite: S (16.29, 19.02, 1.03) [0.8021, 0.9362, 0.0507]\n", + " PeriodicSite: S (16.42, 19.01, 11.7) [0.8085, 0.9357, 0.5762]\n", + " PeriodicSite: S (7.532, 7.524, 17.43) [0.3708, 0.3704, 0.8582]\n", + " PeriodicSite: S (7.34, 17.67, 7.957) [0.3613, 0.87, 0.3917]\n", + " PeriodicSite: S (17.47, 7.41, 7.611) [0.8603, 0.3648, 0.3747]\n", + " PeriodicSite: S (17.57, 17.68, 7.152) [0.8648, 0.8706, 0.3521]\n", + " PeriodicSite: P (5.151, 0.2509, 0.2168) [0.2536, 0.01235, 0.01068]\n", + " PeriodicSite: P (5.075, 20.11, 10.53) [0.2498, 0.99, 0.5182]\n", + " PeriodicSite: P (5.027, 10.18, 20.29) [0.2475, 0.5011, 0.9991]\n", + " PeriodicSite: P (5.122, 10.05, 10.01) [0.2522, 0.4946, 0.493]\n", + " PeriodicSite: P (15.29, 20.31, 20.13) [0.753, 0.9998, 0.991]\n", + " PeriodicSite: P (15.43, 20.24, 10.3) [0.7595, 0.9963, 0.507]\n", + " PeriodicSite: P (15.08, 10.16, 0.03891) [0.7422, 0.5002, 0.001921]\n", + " PeriodicSite: P (15.21, 10.02, 10.04) [0.7486, 0.4934, 0.4942]\n", + " PeriodicSite: P (4.579, 5.011, 4.983) [0.2254, 0.2467, 0.2453]\n", + " PeriodicSite: P (5.051, 5.012, 14.93) [0.2487, 0.2468, 0.7351]\n", + " PeriodicSite: P (4.996, 15.32, 5.196) [0.2459, 0.7543, 0.2558]\n", + " PeriodicSite: P (5.037, 15.16, 15.34) [0.248, 0.7466, 0.7551]\n", + " PeriodicSite: P (15.17, 4.807, 4.825) [0.7467, 0.2366, 0.2375]\n", + " PeriodicSite: P (15.31, 5.289, 15.43) [0.7536, 0.2604, 0.7595]\n", + " PeriodicSite: P (15.12, 15.34, 4.844) [0.7442, 0.755, 0.2385]\n", + " PeriodicSite: P (15.33, 14.98, 15.49) [0.7549, 0.7374, 0.7626]\n", + " PeriodicSite: P (20.05, 20.08, 4.852) [0.987, 0.9884, 0.2389]\n", + " PeriodicSite: P (0.08605, 0.04693, 15.81) [0.004241, 0.002312, 0.7782]\n", + " PeriodicSite: P (20.26, 9.876, 5.046) [0.9974, 0.4862, 0.2484]\n", + " PeriodicSite: P (0.3455, 10.1, 15.09) [0.01701, 0.4972, 0.7427]\n", + " PeriodicSite: P (9.838, 0.01354, 4.72) [0.4843, 0.0006623, 0.2324]\n", + " PeriodicSite: P (10.23, 0.2152, 15.22) [0.5036, 0.01059, 0.7492]\n", + " PeriodicSite: P (10.1, 10.51, 5.023) [0.4971, 0.5175, 0.2473]\n", + " PeriodicSite: P (9.987, 10.4, 15.2) [0.4917, 0.5118, 0.7484]\n", + " PeriodicSite: P (20.31, 5.385, 20.25) [0.9997, 0.2651, 0.9971]\n", + " PeriodicSite: P (20.25, 5.078, 10.38) [0.9971, 0.25, 0.5109]\n", + " PeriodicSite: P (0.07586, 14.84, 0.1712) [0.003728, 0.7308, 0.008427]\n", + " PeriodicSite: P (19.99, 15.2, 10.18) [0.984, 0.7481, 0.5014]\n", + " PeriodicSite: P (9.979, 5.183, 0.09299) [0.4913, 0.2552, 0.004581]\n", + " PeriodicSite: P (10.01, 5.147, 9.828) [0.4928, 0.2534, 0.4839]\n", + " PeriodicSite: P (9.872, 15.37, 20.21) [0.486, 0.7565, 0.9951]\n", + " PeriodicSite: P (10.39, 15.62, 10.45) [0.5113, 0.7689, 0.5143],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.816, 6.004, 4.012) [0.08941, 0.2956, 0.1975]\n", + " PeriodicSite: Li (2.016, 3.222, 15.43) [0.09926, 0.1586, 0.7595]\n", + " PeriodicSite: Li (0.2241, 12.21, 7.589) [0.01103, 0.6012, 0.3736]\n", + " PeriodicSite: Li (0.3497, 13.3, 17.34) [0.01721, 0.6547, 0.8538]\n", + " PeriodicSite: Li (14.96, 1.32, 6.971) [0.7367, 0.06496, 0.3432]\n", + " PeriodicSite: Li (12.26, 4.073, 15.96) [0.6035, 0.2005, 0.7856]\n", + " PeriodicSite: Li (17.34, 12.56, 5.222) [0.8535, 0.6183, 0.2571]\n", + " PeriodicSite: Li (17.33, 8.045, 15.0) [0.853, 0.3961, 0.7386]\n", + " PeriodicSite: Li (4.616, 4.498, 8.221) [0.2272, 0.2215, 0.4047]\n", + " PeriodicSite: Li (1.895, 0.02249, 18.9) [0.09328, 0.001108, 0.9305]\n", + " PeriodicSite: Li (5.355, 7.727, 6.064) [0.2636, 0.3804, 0.2985]\n", + " PeriodicSite: Li (6.581, 10.04, 17.43) [0.324, 0.4944, 0.8583]\n", + " PeriodicSite: Li (11.92, 4.555, 6.447) [0.5869, 0.2242, 0.3174]\n", + " PeriodicSite: Li (12.89, 3.084, 0.03428) [0.6345, 0.1518, 0.001691]\n", + " PeriodicSite: Li (12.01, 9.894, 12.07) [0.5913, 0.4871, 0.594]\n", + " PeriodicSite: Li (9.255, 18.05, 19.14) [0.4556, 0.8888, 0.9423]\n", + " PeriodicSite: Li (4.483, 1.297, 7.095) [0.2207, 0.06383, 0.3493]\n", + " PeriodicSite: Li (2.686, 0.486, 16.0) [0.1322, 0.02393, 0.7879]\n", + " PeriodicSite: Li (3.523, 10.28, 7.065) [0.1734, 0.506, 0.3478]\n", + " PeriodicSite: Li (7.024, 10.88, 14.25) [0.3458, 0.5357, 0.7017]\n", + " PeriodicSite: Li (12.46, 0.9343, 8.928) [0.6135, 0.04599, 0.4396]\n", + " PeriodicSite: Li (10.26, 1.81, 18.25) [0.5052, 0.08911, 0.8986]\n", + " PeriodicSite: Li (14.33, 15.02, 7.944) [0.7055, 0.7397, 0.3911]\n", + " PeriodicSite: Li (12.08, 10.34, 18.38) [0.5945, 0.5091, 0.9046]\n", + " PeriodicSite: Li (1.212, 4.613, 7.291) [0.05965, 0.2271, 0.359]\n", + " PeriodicSite: Li (0.03232, 2.241, 18.11) [0.001595, 0.1103, 0.8914]\n", + " PeriodicSite: Li (1.759, 14.67, 7.101) [0.08661, 0.7221, 0.3496]\n", + " PeriodicSite: Li (4.278, 13.15, 19.6) [0.2106, 0.6473, 0.9647]\n", + " PeriodicSite: Li (13.24, 1.348, 5.059) [0.652, 0.06638, 0.2491]\n", + " PeriodicSite: Li (14.12, 0.7238, 16.91) [0.6954, 0.03563, 0.8327]\n", + " PeriodicSite: Li (10.84, 12.65, 9.225) [0.5337, 0.6229, 0.4542]\n", + " PeriodicSite: Li (15.54, 17.19, 18.28) [0.7648, 0.8463, 0.8999]\n", + " PeriodicSite: Li (6.819, 0.9968, 4.577) [0.3357, 0.04907, 0.2253]\n", + " PeriodicSite: Li (2.217, 20.16, 2.124) [0.1091, 0.9926, 0.1045]\n", + " PeriodicSite: Li (2.742, 14.32, 10.01) [0.135, 0.7048, 0.4927]\n", + " PeriodicSite: Li (1.808, 17.44, 15.13) [0.08899, 0.8585, 0.7447]\n", + " PeriodicSite: Li (14.91, 3.881, 7.974) [0.7339, 0.1911, 0.3926]\n", + " PeriodicSite: Li (15.05, 3.24, 18.45) [0.7409, 0.1595, 0.9085]\n", + " PeriodicSite: Li (17.43, 15.32, 8.809) [0.8581, 0.7545, 0.4337]\n", + " PeriodicSite: Li (11.0, 12.45, 19.73) [0.5417, 0.6127, 0.9714]\n", + " PeriodicSite: Li (5.175, 2.599, 3.11) [0.2548, 0.128, 0.1531]\n", + " PeriodicSite: Li (4.681, 2.216, 17.35) [0.2305, 0.1091, 0.8542]\n", + " PeriodicSite: Li (3.517, 12.38, 5.393) [0.1732, 0.6096, 0.2655]\n", + " PeriodicSite: Li (19.87, 12.99, 2.755) [0.9784, 0.6393, 0.1356]\n", + " PeriodicSite: Li (10.09, 2.032, 8.063) [0.4965, 0.1001, 0.397]\n", + " PeriodicSite: Li (16.98, 19.98, 17.23) [0.836, 0.9838, 0.8484]\n", + " PeriodicSite: Li (14.96, 11.85, 3.899) [0.7363, 0.5836, 0.192]\n", + " PeriodicSite: Li (15.37, 8.719, 17.24) [0.7569, 0.4292, 0.8487]\n", + " PeriodicSite: Li (3.196, 10.33, 17.25) [0.1573, 0.5086, 0.8493]\n", + " PeriodicSite: Li (2.457, 10.59, 9.506) [0.121, 0.5212, 0.468]\n", + " PeriodicSite: Li (0.4257, 18.02, 2.388) [0.02095, 0.8871, 0.1175]\n", + " PeriodicSite: Li (2.171, 0.581, 9.646) [0.1069, 0.0286, 0.4749]\n", + " PeriodicSite: Li (12.06, 5.053, 3.364) [0.5936, 0.2488, 0.1656]\n", + " PeriodicSite: Li (12.14, 7.422, 14.77) [0.5978, 0.3654, 0.7272]\n", + " PeriodicSite: Li (11.17, 14.96, 7.229) [0.5499, 0.7367, 0.3559]\n", + " PeriodicSite: Li (14.45, 19.84, 12.83) [0.7115, 0.9767, 0.6316]\n", + " PeriodicSite: Li (3.402, 7.089, 0.1359) [0.1675, 0.349, 0.006694]\n", + " PeriodicSite: Li (2.781, 5.169, 11.14) [0.1369, 0.2545, 0.5483]\n", + " PeriodicSite: Li (6.616, 15.73, 18.5) [0.3257, 0.7744, 0.9109]\n", + " PeriodicSite: Li (4.355, 18.11, 15.31) [0.2144, 0.8917, 0.7535]\n", + " PeriodicSite: Li (15.02, 6.494, 1.833) [0.7395, 0.3197, 0.09023]\n", + " PeriodicSite: Li (9.921, 8.284, 12.4) [0.4884, 0.4078, 0.6107]\n", + " PeriodicSite: Li (12.82, 18.79, 4.46) [0.6311, 0.9249, 0.2196]\n", + " PeriodicSite: Li (11.44, 17.81, 14.63) [0.5631, 0.8767, 0.72]\n", + " PeriodicSite: Li (1.436, 11.8, 20.01) [0.07069, 0.5808, 0.9849]\n", + " PeriodicSite: Li (4.813, 7.124, 12.17) [0.2369, 0.3507, 0.5991]\n", + " PeriodicSite: Li (4.698, 17.59, 0.6591) [0.2313, 0.8661, 0.03245]\n", + " PeriodicSite: Li (1.799, 18.15, 10.51) [0.08859, 0.8936, 0.5172]\n", + " PeriodicSite: Li (11.94, 8.306, 0.9283) [0.5876, 0.4089, 0.0457]\n", + " PeriodicSite: Li (10.97, 5.746, 12.78) [0.54, 0.2829, 0.6291]\n", + " PeriodicSite: Li (12.11, 15.63, 3.742) [0.596, 0.7693, 0.1842]\n", + " PeriodicSite: Li (15.0, 15.83, 12.41) [0.7387, 0.7793, 0.6107]\n", + " PeriodicSite: Li (0.4739, 8.332, 2.132) [0.02333, 0.4102, 0.1049]\n", + " PeriodicSite: Li (17.74, 6.166, 9.763) [0.8732, 0.3036, 0.4806]\n", + " PeriodicSite: Li (2.947, 18.61, 4.78) [0.1451, 0.916, 0.2353]\n", + " PeriodicSite: Li (0.3721, 18.77, 12.58) [0.01831, 0.9241, 0.6194]\n", + " PeriodicSite: Li (10.48, 7.534, 4.258) [0.5157, 0.3709, 0.2096]\n", + " PeriodicSite: Li (14.64, 8.348, 13.73) [0.7206, 0.411, 0.6759]\n", + " PeriodicSite: Li (12.86, 15.92, 0.5996) [0.6329, 0.784, 0.02953]\n", + " PeriodicSite: Li (11.04, 14.25, 16.83) [0.5434, 0.7017, 0.8287]\n", + " PeriodicSite: Li (6.073, 8.707, 3.745) [0.299, 0.4286, 0.1844]\n", + " PeriodicSite: Li (19.8, 11.64, 12.12) [0.9746, 0.5729, 0.5966]\n", + " PeriodicSite: Li (18.21, 15.83, 5.449) [0.8963, 0.7794, 0.2682]\n", + " PeriodicSite: Li (3.034, 20.01, 13.21) [0.1494, 0.9852, 0.6505]\n", + " PeriodicSite: Li (17.14, 10.12, 3.317) [0.8438, 0.4984, 0.1633]\n", + " PeriodicSite: Li (12.74, 7.097, 10.3) [0.6273, 0.3494, 0.5073]\n", + " PeriodicSite: Li (12.18, 18.87, 0.3513) [0.5994, 0.9291, 0.0173]\n", + " PeriodicSite: Li (13.62, 17.3, 10.37) [0.6704, 0.8515, 0.5104]\n", + " PeriodicSite: Li (3.867, 3.254, 20.11) [0.1904, 0.1602, 0.9902]\n", + " PeriodicSite: Li (3.607, 10.23, 13.62) [0.1776, 0.5039, 0.6706]\n", + " PeriodicSite: Li (4.766, 19.29, 3.145) [0.2346, 0.9495, 0.1548]\n", + " PeriodicSite: Li (1.212, 15.26, 13.37) [0.05969, 0.7515, 0.6581]\n", + " PeriodicSite: Li (12.81, 9.356, 4.231) [0.6307, 0.4606, 0.2083]\n", + " PeriodicSite: Li (14.11, 5.369, 12.21) [0.6948, 0.2643, 0.6009]\n", + " PeriodicSite: Li (15.18, 17.17, 1.625) [0.7474, 0.8453, 0.08001]\n", + " PeriodicSite: Li (19.31, 4.362, 13.3) [0.9507, 0.2147, 0.6546]\n", + " PeriodicSite: Li (9.476, 2.888, 3.6) [0.4665, 0.1422, 0.1772]\n", + " PeriodicSite: Li (10.15, 1.87, 12.2) [0.4996, 0.09205, 0.6005]\n", + " PeriodicSite: Li (7.158, 11.45, 4.672) [0.3524, 0.5637, 0.23]\n", + " PeriodicSite: Li (4.484, 12.58, 15.97) [0.2208, 0.6192, 0.7864]\n", + " PeriodicSite: Li (18.58, 3.677, 4.67) [0.9149, 0.181, 0.2299]\n", + " PeriodicSite: Li (12.87, 4.221, 9.47) [0.6337, 0.2078, 0.4662]\n", + " PeriodicSite: Li (18.49, 11.57, 0.6627) [0.9101, 0.5696, 0.03263]\n", + " PeriodicSite: Li (17.41, 10.33, 13.19) [0.8573, 0.5085, 0.6495]\n", + " PeriodicSite: Li (5.85, 18.09, 6.324) [0.288, 0.8907, 0.3113]\n", + " PeriodicSite: Li (8.766, 2.898, 14.48) [0.4316, 0.1427, 0.713]\n", + " PeriodicSite: Li (7.134, 13.37, 0.1399) [0.3512, 0.658, 0.006888]\n", + " PeriodicSite: Li (9.889, 13.27, 13.76) [0.4868, 0.6532, 0.6776]\n", + " PeriodicSite: Li (14.54, 19.8, 2.738) [0.7158, 0.9747, 0.1348]\n", + " PeriodicSite: Li (19.98, 2.423, 10.68) [0.9837, 0.1193, 0.526]\n", + " PeriodicSite: Li (17.22, 14.64, 2.05) [0.8478, 0.7209, 0.1009]\n", + " PeriodicSite: Li (17.97, 14.94, 12.77) [0.8848, 0.7354, 0.6289]\n", + " PeriodicSite: Li (7.748, 5.936, 6.156) [0.3815, 0.2922, 0.3031]\n", + " PeriodicSite: Li (7.179, 0.1711, 13.82) [0.3534, 0.008421, 0.6805]\n", + " PeriodicSite: Li (9.725, 13.48, 3.181) [0.4788, 0.6639, 0.1566]\n", + " PeriodicSite: Li (5.982, 13.23, 11.38) [0.2945, 0.6513, 0.5602]\n", + " PeriodicSite: Li (20.25, 2.975, 2.189) [0.9968, 0.1464, 0.1078]\n", + " PeriodicSite: Li (0.7071, 8.458, 11.95) [0.03481, 0.4164, 0.5881]\n", + " PeriodicSite: Li (15.25, 12.87, 0.9354) [0.7507, 0.6338, 0.04606]\n", + " PeriodicSite: Li (15.47, 11.88, 13.36) [0.7616, 0.5848, 0.6575]\n", + " PeriodicSite: Li (2.189, 1.253, 5.467) [0.1077, 0.06168, 0.2691]\n", + " PeriodicSite: Li (5.435, 2.062, 14.45) [0.2676, 0.1015, 0.7113]\n", + " PeriodicSite: Li (5.152, 13.22, 2.31) [0.2536, 0.6509, 0.1137]\n", + " PeriodicSite: Li (8.746, 7.455, 15.43) [0.4306, 0.367, 0.7599]\n", + " PeriodicSite: Li (17.45, 4.618, 1.251) [0.8591, 0.2273, 0.06158]\n", + " PeriodicSite: Li (17.26, 0.06338, 13.75) [0.8499, 0.003113, 0.6767]\n", + " PeriodicSite: Li (14.19, 14.4, 18.31) [0.6985, 0.7089, 0.9013]\n", + " PeriodicSite: Li (16.62, 13.04, 10.85) [0.818, 0.6422, 0.534]\n", + " PeriodicSite: Li (6.911, 3.684, 20.25) [0.3403, 0.1814, 0.997]\n", + " PeriodicSite: Li (5.756, 2.907, 11.05) [0.2834, 0.1431, 0.544]\n", + " PeriodicSite: Li (7.79, 11.01, 2.026) [0.3835, 0.5418, 0.09976]\n", + " PeriodicSite: Li (8.067, 10.52, 10.95) [0.3972, 0.5178, 0.5393]\n", + " PeriodicSite: Li (16.75, 1.321, 4.242) [0.8248, 0.06501, 0.2088]\n", + " PeriodicSite: Li (16.02, 3.225, 10.77) [0.7889, 0.1588, 0.5301]\n", + " PeriodicSite: Li (19.82, 8.709, 17.78) [0.976, 0.4287, 0.8754]\n", + " PeriodicSite: Li (18.49, 13.33, 15.03) [0.9105, 0.6564, 0.7397]\n", + " PeriodicSite: Li (8.436, 0.2562, 1.403) [0.4153, 0.01261, 0.06909]\n", + " PeriodicSite: Li (7.657, 0.7273, 10.83) [0.377, 0.0358, 0.5333]\n", + " PeriodicSite: Li (7.452, 14.24, 4.821) [0.3668, 0.701, 0.2373]\n", + " PeriodicSite: Li (4.488, 16.87, 12.28) [0.2209, 0.8303, 0.6045]\n", + " PeriodicSite: Li (15.72, 2.674, 1.509) [0.774, 0.1316, 0.07428]\n", + " PeriodicSite: Li (2.112, 6.388, 14.74) [0.104, 0.3145, 0.7258]\n", + " PeriodicSite: Li (4.839, 13.1, 8.27) [0.2382, 0.6449, 0.4071]\n", + " PeriodicSite: Li (13.69, 13.44, 10.09) [0.6742, 0.6617, 0.4969]\n", + " PeriodicSite: Li (13.64, 10.89, 7.101) [0.6715, 0.5362, 0.3496]\n", + " PeriodicSite: Li (5.772, 8.277, 15.41) [0.2842, 0.4075, 0.7586]\n", + " PeriodicSite: Li (7.054, 16.72, 10.41) [0.3473, 0.8231, 0.5123]\n", + " PeriodicSite: Li (3.473, 15.93, 18.68) [0.171, 0.7841, 0.9197]\n", + " PeriodicSite: Li (17.1, 9.908, 6.713) [0.8419, 0.4878, 0.3305]\n", + " PeriodicSite: Li (2.82, 5.126, 17.75) [0.1389, 0.2524, 0.8739]\n", + " PeriodicSite: Li (16.97, 18.52, 4.74) [0.8354, 0.9116, 0.2334]\n", + " PeriodicSite: Li (20.19, 18.1, 19.06) [0.994, 0.8912, 0.9386]\n", + " PeriodicSite: Li (7.027, 10.31, 6.869) [0.3459, 0.5078, 0.3382]\n", + " PeriodicSite: Li (9.25, 5.639, 17.53) [0.4554, 0.2776, 0.8628]\n", + " PeriodicSite: Li (7.058, 19.96, 7.378) [0.3475, 0.9825, 0.3632]\n", + " PeriodicSite: Li (8.779, 17.05, 15.32) [0.4322, 0.8393, 0.7543]\n", + " PeriodicSite: Li (18.25, 9.621, 9.602) [0.8984, 0.4737, 0.4727]\n", + " PeriodicSite: Li (16.88, 5.38, 18.5) [0.831, 0.2649, 0.9107]\n", + " PeriodicSite: Li (18.17, 19.99, 7.817) [0.8946, 0.984, 0.3848]\n", + " PeriodicSite: Li (18.96, 16.91, 16.27) [0.9336, 0.8325, 0.801]\n", + " PeriodicSite: Li (6.745, 6.58, 9.7) [0.3321, 0.3239, 0.4775]\n", + " PeriodicSite: Li (5.969, 5.942, 17.6) [0.2938, 0.2925, 0.8666]\n", + " PeriodicSite: Li (9.802, 18.23, 8.965) [0.4826, 0.8973, 0.4413]\n", + " PeriodicSite: Li (13.49, 11.43, 15.32) [0.6643, 0.5627, 0.754]\n", + " PeriodicSite: Li (20.13, 8.004, 7.842) [0.9911, 0.394, 0.3861]\n", + " PeriodicSite: Li (19.55, 5.545, 17.27) [0.9627, 0.273, 0.85]\n", + " PeriodicSite: Li (16.86, 17.55, 9.781) [0.8303, 0.8638, 0.4815]\n", + " PeriodicSite: Li (17.09, 14.92, 19.01) [0.8412, 0.7347, 0.9357]\n", + " PeriodicSite: Li (10.06, 8.435, 8.49) [0.4952, 0.4153, 0.418]\n", + " PeriodicSite: Li (5.679, 6.087, 1.765) [0.2796, 0.2997, 0.0869]\n", + " PeriodicSite: Li (4.76, 16.62, 8.73) [0.2343, 0.8181, 0.4298]\n", + " PeriodicSite: Li (6.708, 15.41, 1.853) [0.3302, 0.7589, 0.09122]\n", + " PeriodicSite: Li (15.59, 7.544, 8.971) [0.7674, 0.3714, 0.4417]\n", + " PeriodicSite: Li (18.47, 8.198, 20.12) [0.9091, 0.4036, 0.9905]\n", + " PeriodicSite: Li (15.22, 17.85, 7.035) [0.7493, 0.8788, 0.3464]\n", + " PeriodicSite: Li (15.03, 18.42, 14.83) [0.74, 0.907, 0.7299]\n", + " PeriodicSite: Li (7.293, 4.825, 12.21) [0.359, 0.2375, 0.6012]\n", + " PeriodicSite: Li (6.822, 7.249, 19.77) [0.3359, 0.3569, 0.9733]\n", + " PeriodicSite: Li (9.086, 17.54, 5.469) [0.4473, 0.8636, 0.2692]\n", + " PeriodicSite: Li (10.13, 18.43, 2.038) [0.4988, 0.9076, 0.1003]\n", + " PeriodicSite: Li (15.45, 7.753, 5.343) [0.7606, 0.3817, 0.263]\n", + " PeriodicSite: Li (13.53, 6.366, 19.19) [0.6663, 0.3134, 0.9447]\n", + " PeriodicSite: Li (20.0, 17.29, 6.808) [0.9844, 0.8512, 0.3352]\n", + " PeriodicSite: Li (18.09, 0.6032, 1.234) [0.8906, 0.02969, 0.06078]\n", + " PeriodicSite: Li (2.918, 9.32, 4.112) [0.1437, 0.4588, 0.2024]\n", + " PeriodicSite: Li (9.707, 8.537, 18.26) [0.4779, 0.4203, 0.8991]\n", + " PeriodicSite: Li (7.483, 15.55, 7.73) [0.3684, 0.7655, 0.3806]\n", + " PeriodicSite: Li (6.291, 19.62, 17.5) [0.3097, 0.9659, 0.8617]\n", + " PeriodicSite: Li (18.39, 6.638, 5.521) [0.9054, 0.3268, 0.2718]\n", + " PeriodicSite: Li (17.04, 11.45, 16.23) [0.8387, 0.5637, 0.7988]\n", + " PeriodicSite: Li (2.998, 15.81, 1.426) [0.1476, 0.7784, 0.07021]\n", + " PeriodicSite: Li (15.97, 2.317, 14.5) [0.7864, 0.114, 0.7139]\n", + " PeriodicSite: Cl (7.75, 12.6, 12.76) [0.3815, 0.6201, 0.6282]\n", + " PeriodicSite: Cl (2.564, 12.48, 18.22) [0.1262, 0.6145, 0.8972]\n", + " PeriodicSite: Cl (13.39, 17.72, 13.13) [0.6593, 0.8722, 0.6464]\n", + " PeriodicSite: Cl (17.76, 7.46, 17.36) [0.8744, 0.3672, 0.8545]\n", + " PeriodicSite: Cl (7.296, 2.69, 2.336) [0.3592, 0.1325, 0.115]\n", + " PeriodicSite: Cl (7.612, 7.882, 7.378) [0.3747, 0.388, 0.3632]\n", + " PeriodicSite: Cl (12.79, 13.15, 8.02) [0.6295, 0.6476, 0.3948]\n", + " PeriodicSite: Cl (2.577, 7.447, 2.521) [0.1269, 0.3666, 0.1241]\n", + " PeriodicSite: Cl (2.722, 7.756, 12.94) [0.134, 0.3818, 0.6369]\n", + " PeriodicSite: Cl (12.43, 12.82, 17.97) [0.6122, 0.6311, 0.8846]\n", + " PeriodicSite: Cl (17.92, 17.6, 18.13) [0.8821, 0.8663, 0.8925]\n", + " PeriodicSite: Cl (2.599, 2.428, 7.986) [0.1279, 0.1195, 0.3932]\n", + " PeriodicSite: Cl (12.91, 2.564, 17.95) [0.6354, 0.1262, 0.8836]\n", + " PeriodicSite: Cl (12.65, 7.492, 3.021) [0.6227, 0.3688, 0.1488]\n", + " PeriodicSite: Cl (17.5, 2.456, 12.76) [0.8615, 0.1209, 0.6282]\n", + " PeriodicSite: Cl (7.403, 17.47, 17.32) [0.3644, 0.8603, 0.8527]\n", + " PeriodicSite: Cl (0.3359, 20.08, 0.1862) [0.01653, 0.9884, 0.00917]\n", + " PeriodicSite: Cl (0.2635, 20.13, 10.5) [0.01297, 0.991, 0.517]\n", + " PeriodicSite: Cl (19.84, 10.08, 19.93) [0.9768, 0.4964, 0.9812]\n", + " PeriodicSite: Cl (0.3686, 9.829, 10.19) [0.01815, 0.4839, 0.5014]\n", + " PeriodicSite: Cl (10.18, 20.03, 20.28) [0.5013, 0.9862, 0.9985]\n", + " PeriodicSite: Cl (9.842, 0.4514, 9.606) [0.4845, 0.02222, 0.4729]\n", + " PeriodicSite: Cl (10.36, 10.28, 19.9) [0.5101, 0.5063, 0.9799]\n", + " PeriodicSite: Cl (10.3, 10.07, 10.46) [0.5069, 0.4955, 0.515]\n", + " PeriodicSite: Cl (0.02522, 5.275, 5.11) [0.001241, 0.2597, 0.2516]\n", + " PeriodicSite: Cl (0.3506, 4.81, 15.16) [0.01726, 0.2368, 0.7464]\n", + " PeriodicSite: Cl (20.21, 15.21, 5.647) [0.995, 0.7487, 0.278]\n", + " PeriodicSite: Cl (20.13, 15.1, 15.49) [0.9911, 0.7432, 0.7628]\n", + " PeriodicSite: Cl (9.94, 5.06, 4.857) [0.4893, 0.2491, 0.2391]\n", + " PeriodicSite: Cl (10.43, 5.735, 15.18) [0.5133, 0.2824, 0.7475]\n", + " PeriodicSite: Cl (10.02, 15.3, 5.125) [0.4932, 0.7535, 0.2523]\n", + " PeriodicSite: Cl (10.42, 15.61, 15.15) [0.5128, 0.7686, 0.7459]\n", + " PeriodicSite: S (4.797, 20.18, 5.37) [0.2362, 0.9934, 0.2644]\n", + " PeriodicSite: S (5.004, 0.02667, 15.36) [0.2463, 0.001312, 0.756]\n", + " PeriodicSite: S (5.126, 9.901, 5.449) [0.2524, 0.4874, 0.2683]\n", + " PeriodicSite: S (4.892, 10.42, 15.63) [0.2408, 0.5129, 0.7694]\n", + " PeriodicSite: S (14.9, 20.03, 5.029) [0.7334, 0.9859, 0.2476]\n", + " PeriodicSite: S (15.51, 0.2148, 15.21) [0.7633, 0.01057, 0.749]\n", + " PeriodicSite: S (15.15, 10.02, 5.298) [0.7459, 0.4932, 0.2608]\n", + " PeriodicSite: S (15.58, 9.912, 15.05) [0.7669, 0.488, 0.7408]\n", + " PeriodicSite: S (5.133, 5.309, 19.83) [0.2527, 0.2614, 0.9763]\n", + " PeriodicSite: S (5.202, 5.112, 10.49) [0.2561, 0.2517, 0.5164]\n", + " PeriodicSite: S (4.922, 15.15, 0.2689) [0.2423, 0.746, 0.01324]\n", + " PeriodicSite: S (5.084, 15.07, 10.02) [0.2503, 0.742, 0.4935]\n", + " PeriodicSite: S (15.39, 4.905, 20.21) [0.7579, 0.2415, 0.9948]\n", + " PeriodicSite: S (14.98, 5.369, 10.1) [0.7376, 0.2643, 0.4971]\n", + " PeriodicSite: S (15.1, 15.5, 20.3) [0.7434, 0.7633, 0.9995]\n", + " PeriodicSite: S (15.3, 15.22, 10.07) [0.753, 0.7491, 0.4958]\n", + " PeriodicSite: S (8.409, 3.817, 9.254) [0.414, 0.1879, 0.4556]\n", + " PeriodicSite: S (9.253, 3.845, 19.24) [0.4555, 0.1893, 0.9471]\n", + " PeriodicSite: S (9.18, 14.42, 8.776) [0.4519, 0.71, 0.432]\n", + " PeriodicSite: S (9.125, 14.04, 18.91) [0.4492, 0.6912, 0.9309]\n", + " PeriodicSite: S (18.72, 4.139, 9.052) [0.9217, 0.2038, 0.4457]\n", + " PeriodicSite: S (19.39, 4.174, 19.18) [0.9548, 0.2055, 0.9442]\n", + " PeriodicSite: S (19.22, 13.71, 9.044) [0.9461, 0.6748, 0.4452]\n", + " PeriodicSite: S (19.26, 13.59, 19.29) [0.9481, 0.6691, 0.9496]\n", + " PeriodicSite: S (3.88, 1.307, 1.331) [0.191, 0.06434, 0.06552]\n", + " PeriodicSite: S (4.044, 1.171, 11.47) [0.1991, 0.05765, 0.5645]\n", + " PeriodicSite: S (3.871, 11.24, 1.273) [0.1906, 0.5532, 0.06269]\n", + " PeriodicSite: S (3.815, 11.4, 11.38) [0.1878, 0.5612, 0.5603]\n", + " PeriodicSite: S (14.03, 0.9853, 0.9598) [0.6905, 0.0485, 0.04726]\n", + " PeriodicSite: S (14.14, 1.183, 11.06) [0.696, 0.05825, 0.5443]\n", + " PeriodicSite: S (13.82, 10.9, 1.554) [0.6803, 0.5365, 0.07651]\n", + " PeriodicSite: S (14.0, 11.39, 11.31) [0.6892, 0.5608, 0.557]\n", + " PeriodicSite: S (6.171, 0.8992, 8.995) [0.3038, 0.04427, 0.4429]\n", + " PeriodicSite: S (6.322, 1.381, 19.21) [0.3112, 0.06798, 0.9459]\n", + " PeriodicSite: S (6.379, 11.32, 9.202) [0.314, 0.5572, 0.453]\n", + " PeriodicSite: S (6.312, 11.3, 19.5) [0.3108, 0.5565, 0.9598]\n", + " PeriodicSite: S (16.8, 1.138, 9.187) [0.827, 0.05603, 0.4523]\n", + " PeriodicSite: S (16.58, 1.346, 19.03) [0.8161, 0.06624, 0.937]\n", + " PeriodicSite: S (16.4, 11.2, 8.81) [0.8072, 0.5512, 0.4337]\n", + " PeriodicSite: S (16.2, 11.2, 19.51) [0.7976, 0.5512, 0.9603]\n", + " PeriodicSite: S (1.641, 4.239, 0.9778) [0.08079, 0.2087, 0.04814]\n", + " PeriodicSite: S (0.8439, 3.919, 11.53) [0.04155, 0.1929, 0.5678]\n", + " PeriodicSite: S (1.384, 13.72, 1.199) [0.06811, 0.6753, 0.05905]\n", + " PeriodicSite: S (1.122, 13.97, 11.59) [0.05522, 0.6875, 0.5708]\n", + " PeriodicSite: S (11.41, 4.247, 1.32) [0.5618, 0.2091, 0.06501]\n", + " PeriodicSite: S (11.26, 4.059, 11.26) [0.5544, 0.1998, 0.5541]\n", + " PeriodicSite: S (11.0, 14.43, 1.068) [0.5417, 0.7102, 0.05258]\n", + " PeriodicSite: S (11.55, 13.99, 11.17) [0.5687, 0.6885, 0.5501]\n", + " PeriodicSite: S (2.266, 2.574, 17.72) [0.1116, 0.1267, 0.8724]\n", + " PeriodicSite: S (2.609, 12.53, 7.762) [0.1284, 0.6168, 0.3822]\n", + " PeriodicSite: S (12.85, 2.485, 7.15) [0.6328, 0.1223, 0.352]\n", + " PeriodicSite: S (8.903, 9.584, 3.526) [0.4383, 0.4718, 0.1736]\n", + " PeriodicSite: S (8.728, 9.429, 13.94) [0.4297, 0.4642, 0.6861]\n", + " PeriodicSite: S (8.746, 19.21, 3.645) [0.4306, 0.9457, 0.1795]\n", + " PeriodicSite: S (9.474, 19.34, 14.07) [0.4664, 0.9521, 0.6926]\n", + " PeriodicSite: S (19.14, 8.535, 3.89) [0.9424, 0.4202, 0.1915]\n", + " PeriodicSite: S (19.23, 8.878, 13.96) [0.9469, 0.4371, 0.6875]\n", + " PeriodicSite: S (19.04, 18.89, 3.871) [0.9371, 0.9299, 0.1906]\n", + " PeriodicSite: S (19.04, 18.7, 14.36) [0.9375, 0.9208, 0.7068]\n", + " PeriodicSite: S (3.472, 5.997, 6.297) [0.1709, 0.2952, 0.31]\n", + " PeriodicSite: S (4.099, 6.489, 16.17) [0.2018, 0.3195, 0.7959]\n", + " PeriodicSite: S (3.816, 16.53, 6.447) [0.1878, 0.8138, 0.3174]\n", + " PeriodicSite: S (3.362, 16.43, 16.55) [0.1655, 0.809, 0.8147]\n", + " PeriodicSite: S (13.97, 5.933, 5.934) [0.688, 0.2921, 0.2921]\n", + " PeriodicSite: S (13.85, 6.458, 16.51) [0.6819, 0.3179, 0.813]\n", + " PeriodicSite: S (13.82, 16.46, 5.854) [0.6802, 0.8105, 0.2882]\n", + " PeriodicSite: S (14.05, 16.33, 16.54) [0.6917, 0.8041, 0.8143]\n", + " PeriodicSite: S (6.178, 6.289, 4.219) [0.3042, 0.3096, 0.2077]\n", + " PeriodicSite: S (6.466, 6.388, 14.03) [0.3183, 0.3145, 0.6909]\n", + " PeriodicSite: S (6.175, 16.47, 4.214) [0.304, 0.8111, 0.2075]\n", + " PeriodicSite: S (5.94, 16.8, 14.27) [0.2924, 0.8271, 0.7025]\n", + " PeriodicSite: S (16.63, 5.968, 3.743) [0.8187, 0.2938, 0.1843]\n", + " PeriodicSite: S (15.96, 6.283, 13.85) [0.7858, 0.3093, 0.6817]\n", + " PeriodicSite: S (16.47, 16.28, 3.593) [0.8108, 0.8014, 0.1769]\n", + " PeriodicSite: S (16.59, 16.21, 14.49) [0.8166, 0.7979, 0.7133]\n", + " PeriodicSite: S (1.353, 8.924, 6.148) [0.06663, 0.4393, 0.3027]\n", + " PeriodicSite: S (1.157, 9.27, 16.57) [0.05695, 0.4564, 0.8155]\n", + " PeriodicSite: S (1.06, 19.55, 6.148) [0.0522, 0.9625, 0.3027]\n", + " PeriodicSite: S (0.8905, 19.11, 16.78) [0.04384, 0.9407, 0.8263]\n", + " PeriodicSite: S (10.93, 9.057, 6.055) [0.5379, 0.4459, 0.2981]\n", + " PeriodicSite: S (11.28, 8.901, 16.24) [0.5553, 0.4382, 0.7997]\n", + " PeriodicSite: S (11.07, 19.32, 6.17) [0.5448, 0.9511, 0.3038]\n", + " PeriodicSite: S (11.68, 19.77, 16.48) [0.5748, 0.9732, 0.8115]\n", + " PeriodicSite: S (2.929, 18.02, 2.472) [0.1442, 0.8873, 0.1217]\n", + " PeriodicSite: S (2.392, 17.54, 12.86) [0.1177, 0.8635, 0.633]\n", + " PeriodicSite: S (12.31, 7.603, 12.46) [0.6063, 0.3743, 0.6135]\n", + " PeriodicSite: S (12.45, 17.53, 2.32) [0.6131, 0.863, 0.1142]\n", + " PeriodicSite: S (3.772, 4.144, 3.637) [0.1857, 0.204, 0.1791]\n", + " PeriodicSite: S (4.022, 3.889, 13.92) [0.198, 0.1915, 0.6853]\n", + " PeriodicSite: S (3.736, 14.1, 3.982) [0.1839, 0.6942, 0.196]\n", + " PeriodicSite: S (3.606, 14.19, 14.23) [0.1775, 0.6987, 0.7005]\n", + " PeriodicSite: S (14.08, 3.572, 3.652) [0.6932, 0.1758, 0.1798]\n", + " PeriodicSite: S (13.95, 3.77, 14.21) [0.6865, 0.1856, 0.6996]\n", + " PeriodicSite: S (14.06, 14.04, 3.536) [0.6923, 0.6913, 0.1741]\n", + " PeriodicSite: S (14.29, 13.68, 14.45) [0.7036, 0.6733, 0.7115]\n", + " PeriodicSite: S (8.709, 1.366, 5.981) [0.4287, 0.06722, 0.2944]\n", + " PeriodicSite: S (8.463, 0.9928, 16.46) [0.4166, 0.04887, 0.8106]\n", + " PeriodicSite: S (8.902, 11.7, 6.392) [0.4382, 0.576, 0.3147]\n", + " PeriodicSite: S (9.276, 11.58, 16.64) [0.4567, 0.5703, 0.819]\n", + " PeriodicSite: S (18.41, 0.9667, 5.904) [0.9065, 0.04759, 0.2907]\n", + " PeriodicSite: S (18.87, 1.09, 16.56) [0.9292, 0.05368, 0.8153]\n", + " PeriodicSite: S (19.09, 10.96, 6.112) [0.9396, 0.5396, 0.3009]\n", + " PeriodicSite: S (19.17, 11.52, 16.42) [0.944, 0.5674, 0.8084]\n", + " PeriodicSite: S (0.8626, 1.326, 3.817) [0.04247, 0.0653, 0.1879]\n", + " PeriodicSite: S (0.9606, 1.04, 14.23) [0.0473, 0.05118, 0.7004]\n", + " PeriodicSite: S (0.9567, 11.01, 3.557) [0.0471, 0.542, 0.1751]\n", + " PeriodicSite: S (1.296, 11.24, 13.74) [0.06378, 0.5536, 0.6763]\n", + " PeriodicSite: S (11.04, 1.157, 3.617) [0.5435, 0.05693, 0.1781]\n", + " PeriodicSite: S (11.19, 1.937, 14.34) [0.5509, 0.09537, 0.706]\n", + " PeriodicSite: S (11.32, 11.63, 3.925) [0.5571, 0.5726, 0.1933]\n", + " PeriodicSite: S (11.4, 11.37, 14.02) [0.561, 0.5599, 0.6904]\n", + " PeriodicSite: S (6.017, 3.664, 6.099) [0.2962, 0.1804, 0.3003]\n", + " PeriodicSite: S (6.526, 4.003, 16.28) [0.3213, 0.197, 0.8013]\n", + " PeriodicSite: S (6.004, 14.01, 6.348) [0.2956, 0.6898, 0.3125]\n", + " PeriodicSite: S (6.0, 14.27, 16.53) [0.2954, 0.7025, 0.8138]\n", + " PeriodicSite: S (16.55, 3.474, 5.881) [0.8147, 0.171, 0.2895]\n", + " PeriodicSite: S (16.34, 3.987, 16.42) [0.8046, 0.1963, 0.8082]\n", + " PeriodicSite: S (16.09, 14.33, 6.411) [0.7923, 0.7056, 0.3156]\n", + " PeriodicSite: S (16.31, 13.92, 16.95) [0.8028, 0.6855, 0.8345]\n", + " PeriodicSite: S (7.454, 2.358, 12.61) [0.367, 0.1161, 0.6209]\n", + " PeriodicSite: S (7.546, 13.08, 2.652) [0.3715, 0.6438, 0.1306]\n", + " PeriodicSite: S (18.04, 2.715, 2.489) [0.8883, 0.1337, 0.1225]\n", + " PeriodicSite: S (17.57, 12.54, 2.915) [0.8648, 0.6173, 0.1435]\n", + " PeriodicSite: S (17.77, 12.68, 12.97) [0.8747, 0.6242, 0.6388]\n", + " PeriodicSite: S (3.931, 8.845, 9.018) [0.1935, 0.4354, 0.444]\n", + " PeriodicSite: S (4.049, 8.754, 19.16) [0.1993, 0.431, 0.9434]\n", + " PeriodicSite: S (3.668, 18.99, 9.217) [0.1806, 0.9351, 0.4537]\n", + " PeriodicSite: S (4.194, 19.31, 19.15) [0.2065, 0.9507, 0.943]\n", + " PeriodicSite: S (13.84, 9.079, 8.879) [0.6812, 0.447, 0.4371]\n", + " PeriodicSite: S (13.78, 8.876, 19.21) [0.6786, 0.437, 0.9457]\n", + " PeriodicSite: S (14.19, 19.32, 8.844) [0.6987, 0.951, 0.4354]\n", + " PeriodicSite: S (14.15, 19.05, 18.98) [0.6968, 0.9378, 0.9346]\n", + " PeriodicSite: S (8.508, 6.001, 1.297) [0.4189, 0.2954, 0.06383]\n", + " PeriodicSite: S (8.889, 6.541, 10.83) [0.4376, 0.322, 0.5334]\n", + " PeriodicSite: S (8.489, 16.67, 0.6019) [0.4179, 0.8205, 0.02963]\n", + " PeriodicSite: S (9.378, 16.62, 11.58) [0.4617, 0.8183, 0.5699]\n", + " PeriodicSite: S (19.6, 6.59, 1.195) [0.9652, 0.3244, 0.05883]\n", + " PeriodicSite: S (19.0, 6.325, 11.76) [0.9355, 0.3114, 0.5791]\n", + " PeriodicSite: S (19.06, 15.84, 1.546) [0.9381, 0.7798, 0.07613]\n", + " PeriodicSite: S (19.03, 16.38, 11.14) [0.937, 0.8066, 0.5487]\n", + " PeriodicSite: S (1.091, 6.288, 9.373) [0.0537, 0.3096, 0.4614]\n", + " PeriodicSite: S (1.222, 6.864, 18.89) [0.06015, 0.3379, 0.93]\n", + " PeriodicSite: S (1.368, 16.18, 9.024) [0.06735, 0.7963, 0.4443]\n", + " PeriodicSite: S (1.16, 16.32, 19.51) [0.0571, 0.8033, 0.9603]\n", + " PeriodicSite: S (11.38, 5.869, 8.659) [0.5604, 0.2889, 0.4263]\n", + " PeriodicSite: S (11.08, 6.567, 19.38) [0.5453, 0.3233, 0.9542]\n", + " PeriodicSite: S (11.68, 16.61, 9.023) [0.5748, 0.8179, 0.4442]\n", + " PeriodicSite: S (11.17, 16.68, 18.88) [0.5499, 0.8213, 0.9295]\n", + " PeriodicSite: S (6.262, 8.836, 1.296) [0.3083, 0.435, 0.06383]\n", + " PeriodicSite: S (6.431, 8.843, 11.21) [0.3166, 0.4354, 0.5518]\n", + " PeriodicSite: S (6.536, 19.27, 1.363) [0.3218, 0.9486, 0.06712]\n", + " PeriodicSite: S (6.169, 18.98, 11.4) [0.3037, 0.9345, 0.561]\n", + " PeriodicSite: S (16.3, 8.804, 1.517) [0.8026, 0.4334, 0.07468]\n", + " PeriodicSite: S (16.29, 8.832, 11.22) [0.8018, 0.4348, 0.5525]\n", + " PeriodicSite: S (16.45, 19.22, 1.135) [0.8099, 0.9463, 0.05589]\n", + " PeriodicSite: S (16.34, 19.09, 11.58) [0.8043, 0.9396, 0.5699]\n", + " PeriodicSite: S (7.619, 7.434, 17.44) [0.3751, 0.366, 0.8584]\n", + " PeriodicSite: S (7.869, 17.87, 7.607) [0.3874, 0.8799, 0.3745]\n", + " PeriodicSite: S (17.76, 7.719, 7.571) [0.8742, 0.38, 0.3727]\n", + " PeriodicSite: S (17.81, 17.46, 7.645) [0.877, 0.8597, 0.3764]\n", + " PeriodicSite: P (5.221, 0.2111, 0.1626) [0.2571, 0.01039, 0.008005]\n", + " PeriodicSite: P (4.993, 20.16, 10.2) [0.2458, 0.9927, 0.5022]\n", + " PeriodicSite: P (5.022, 9.999, 0.1243) [0.2472, 0.4922, 0.006123]\n", + " PeriodicSite: P (5.134, 10.07, 10.12) [0.2527, 0.4958, 0.4983]\n", + " PeriodicSite: P (15.33, 0.01419, 20.12) [0.7548, 0.0006934, 0.9904]\n", + " PeriodicSite: P (15.44, 20.3, 10.14) [0.7601, 0.9995, 0.4993]\n", + " PeriodicSite: P (15.0, 9.873, 0.2824) [0.7383, 0.4861, 0.01391]\n", + " PeriodicSite: P (15.09, 10.12, 10.04) [0.743, 0.4983, 0.4943]\n", + " PeriodicSite: P (4.764, 5.004, 5.184) [0.2345, 0.2463, 0.2552]\n", + " PeriodicSite: P (5.201, 5.137, 15.01) [0.256, 0.2529, 0.7391]\n", + " PeriodicSite: P (4.876, 15.31, 5.142) [0.24, 0.7535, 0.2532]\n", + " PeriodicSite: P (4.791, 15.47, 15.38) [0.2359, 0.7616, 0.7574]\n", + " PeriodicSite: P (15.31, 4.662, 4.769) [0.7537, 0.2295, 0.2348]\n", + " PeriodicSite: P (15.02, 5.216, 15.28) [0.7396, 0.2568, 0.7524]\n", + " PeriodicSite: P (15.08, 15.26, 4.821) [0.7423, 0.7513, 0.2374]\n", + " PeriodicSite: P (15.25, 15.07, 15.61) [0.751, 0.7421, 0.7684]\n", + " PeriodicSite: P (20.04, 0.009541, 4.934) [0.9864, 0.0004609, 0.2429]\n", + " PeriodicSite: P (20.08, 20.17, 15.47) [0.9886, 0.9927, 0.7617]\n", + " PeriodicSite: P (20.3, 9.935, 4.936) [0.9992, 0.4891, 0.243]\n", + " PeriodicSite: P (0.08011, 10.31, 15.14) [0.003943, 0.5075, 0.7452]\n", + " PeriodicSite: P (9.901, 0.04064, 4.896) [0.4874, 0.001997, 0.241]\n", + " PeriodicSite: P (10.24, 0.3231, 15.41) [0.5042, 0.0159, 0.7586]\n", + " PeriodicSite: P (9.946, 10.63, 4.999) [0.4896, 0.5234, 0.2461]\n", + " PeriodicSite: P (10.17, 10.43, 15.23) [0.5008, 0.5134, 0.7498]\n", + " PeriodicSite: P (0.3536, 5.495, 20.22) [0.01741, 0.2705, 0.9956]\n", + " PeriodicSite: P (19.98, 5.145, 10.4) [0.9836, 0.2533, 0.5118]\n", + " PeriodicSite: P (0.04053, 14.8, 0.1818) [0.001989, 0.7285, 0.008952]\n", + " PeriodicSite: P (20.31, 15.13, 10.16) [0.9998, 0.7449, 0.5]\n", + " PeriodicSite: P (10.0, 5.174, 0.1188) [0.4925, 0.2547, 0.00585]\n", + " PeriodicSite: P (9.924, 4.975, 9.94) [0.4886, 0.2449, 0.4893]\n", + " PeriodicSite: P (9.985, 15.51, 20.03) [0.4916, 0.7637, 0.9863]\n", + " PeriodicSite: P (10.31, 15.45, 10.25) [0.5075, 0.7607, 0.5044],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.071, 6.206, 4.622) [0.1019, 0.3055, 0.2276]\n", + " PeriodicSite: Li (2.398, 3.045, 15.32) [0.118, 0.1499, 0.7541]\n", + " PeriodicSite: Li (0.2505, 11.22, 8.376) [0.01233, 0.5521, 0.4124]\n", + " PeriodicSite: Li (0.6748, 13.46, 16.9) [0.03322, 0.6628, 0.832]\n", + " PeriodicSite: Li (15.23, 1.747, 7.147) [0.75, 0.08601, 0.3519]\n", + " PeriodicSite: Li (11.91, 3.427, 15.88) [0.5861, 0.1687, 0.782]\n", + " PeriodicSite: Li (17.51, 12.59, 4.682) [0.862, 0.6196, 0.2305]\n", + " PeriodicSite: Li (16.75, 8.25, 15.2) [0.8247, 0.4061, 0.7484]\n", + " PeriodicSite: Li (5.379, 4.049, 8.277) [0.2648, 0.1993, 0.4075]\n", + " PeriodicSite: Li (2.072, 0.4906, 19.17) [0.102, 0.02415, 0.9437]\n", + " PeriodicSite: Li (4.999, 8.155, 6.972) [0.2461, 0.4015, 0.3432]\n", + " PeriodicSite: Li (6.335, 10.1, 17.68) [0.3119, 0.4972, 0.8703]\n", + " PeriodicSite: Li (12.05, 4.67, 6.715) [0.5934, 0.2299, 0.3306]\n", + " PeriodicSite: Li (12.86, 3.528, 20.28) [0.633, 0.1737, 0.9985]\n", + " PeriodicSite: Li (12.14, 10.16, 12.51) [0.5976, 0.5, 0.616]\n", + " PeriodicSite: Li (9.479, 18.65, 18.77) [0.4667, 0.9184, 0.9241]\n", + " PeriodicSite: Li (4.733, 1.762, 6.925) [0.233, 0.08675, 0.3409]\n", + " PeriodicSite: Li (2.527, 0.5928, 16.22) [0.1244, 0.02918, 0.7984]\n", + " PeriodicSite: Li (3.113, 10.22, 7.263) [0.1532, 0.5029, 0.3576]\n", + " PeriodicSite: Li (6.85, 10.66, 13.86) [0.3372, 0.5246, 0.6823]\n", + " PeriodicSite: Li (12.56, 0.8515, 8.979) [0.6185, 0.04192, 0.442]\n", + " PeriodicSite: Li (10.45, 1.158, 18.57) [0.5147, 0.05701, 0.9141]\n", + " PeriodicSite: Li (14.37, 15.04, 7.974) [0.7074, 0.7402, 0.3926]\n", + " PeriodicSite: Li (12.26, 10.2, 18.5) [0.6035, 0.5023, 0.9109]\n", + " PeriodicSite: Li (0.9813, 4.171, 7.037) [0.04831, 0.2053, 0.3464]\n", + " PeriodicSite: Li (0.1601, 2.973, 17.31) [0.007884, 0.1464, 0.8522]\n", + " PeriodicSite: Li (1.02, 14.05, 7.202) [0.05021, 0.6917, 0.3546]\n", + " PeriodicSite: Li (4.214, 13.05, 19.53) [0.2074, 0.6427, 0.9615]\n", + " PeriodicSite: Li (13.08, 1.644, 5.447) [0.6437, 0.08092, 0.2682]\n", + " PeriodicSite: Li (13.47, 0.174, 16.88) [0.6631, 0.00856, 0.8308]\n", + " PeriodicSite: Li (10.96, 12.18, 9.053) [0.5397, 0.5998, 0.4457]\n", + " PeriodicSite: Li (15.43, 17.11, 19.16) [0.7598, 0.8425, 0.9432]\n", + " PeriodicSite: Li (7.143, 1.209, 4.513) [0.3517, 0.0595, 0.2222]\n", + " PeriodicSite: Li (1.732, 20.25, 1.846) [0.08528, 0.9968, 0.09087]\n", + " PeriodicSite: Li (3.284, 14.19, 9.743) [0.1617, 0.6988, 0.4797]\n", + " PeriodicSite: Li (1.451, 16.92, 15.37) [0.07142, 0.833, 0.7566]\n", + " PeriodicSite: Li (14.99, 4.302, 7.872) [0.7378, 0.2118, 0.3876]\n", + " PeriodicSite: Li (15.3, 2.995, 18.1) [0.7535, 0.1475, 0.8912]\n", + " PeriodicSite: Li (16.98, 15.31, 8.222) [0.8359, 0.7537, 0.4048]\n", + " PeriodicSite: Li (11.07, 12.55, 19.55) [0.5448, 0.618, 0.9627]\n", + " PeriodicSite: Li (5.286, 2.457, 2.465) [0.2602, 0.121, 0.1214]\n", + " PeriodicSite: Li (4.987, 1.862, 17.15) [0.2455, 0.09165, 0.8441]\n", + " PeriodicSite: Li (3.93, 12.64, 5.932) [0.1935, 0.6223, 0.292]\n", + " PeriodicSite: Li (0.02158, 13.49, 3.576) [0.001057, 0.6642, 0.1761]\n", + " PeriodicSite: Li (10.31, 1.814, 8.465) [0.5077, 0.0893, 0.4167]\n", + " PeriodicSite: Li (17.16, 20.06, 16.97) [0.8449, 0.9874, 0.8357]\n", + " PeriodicSite: Li (15.21, 11.75, 3.286) [0.7487, 0.5786, 0.1618]\n", + " PeriodicSite: Li (14.21, 8.704, 16.7) [0.6995, 0.4285, 0.822]\n", + " PeriodicSite: Li (3.074, 10.09, 17.12) [0.1513, 0.4965, 0.843]\n", + " PeriodicSite: Li (2.26, 11.75, 10.32) [0.1112, 0.5785, 0.5081]\n", + " PeriodicSite: Li (0.4631, 17.61, 2.088) [0.02279, 0.8669, 0.1028]\n", + " PeriodicSite: Li (1.897, 0.7846, 9.224) [0.09337, 0.03862, 0.4541]\n", + " PeriodicSite: Li (12.23, 5.238, 2.949) [0.6022, 0.2579, 0.1452]\n", + " PeriodicSite: Li (11.81, 7.178, 15.09) [0.5815, 0.3534, 0.7429]\n", + " PeriodicSite: Li (11.09, 14.43, 6.576) [0.5458, 0.7102, 0.3238]\n", + " PeriodicSite: Li (13.72, 20.08, 12.84) [0.6754, 0.9885, 0.632]\n", + " PeriodicSite: Li (3.381, 7.222, 0.1789) [0.1665, 0.3556, 0.008811]\n", + " PeriodicSite: Li (2.964, 4.727, 10.74) [0.1459, 0.2327, 0.5285]\n", + " PeriodicSite: Li (6.828, 15.74, 18.65) [0.3361, 0.7747, 0.9183]\n", + " PeriodicSite: Li (3.977, 18.35, 14.65) [0.1958, 0.9032, 0.721]\n", + " PeriodicSite: Li (14.68, 6.337, 1.61) [0.7227, 0.312, 0.07927]\n", + " PeriodicSite: Li (10.26, 8.145, 12.06) [0.5049, 0.401, 0.5935]\n", + " PeriodicSite: Li (13.55, 18.45, 4.463) [0.6673, 0.9082, 0.2197]\n", + " PeriodicSite: Li (11.52, 17.66, 14.7) [0.5673, 0.8694, 0.7239]\n", + " PeriodicSite: Li (1.692, 11.68, 0.111) [0.08329, 0.5752, 0.005468]\n", + " PeriodicSite: Li (4.794, 6.703, 12.37) [0.236, 0.33, 0.6092]\n", + " PeriodicSite: Li (4.833, 17.27, 1.16) [0.2379, 0.8502, 0.05712]\n", + " PeriodicSite: Li (1.84, 18.32, 10.55) [0.0906, 0.9021, 0.5193]\n", + " PeriodicSite: Li (12.24, 8.516, 0.5946) [0.6025, 0.4192, 0.02928]\n", + " PeriodicSite: Li (10.63, 5.625, 12.89) [0.5234, 0.2769, 0.6346]\n", + " PeriodicSite: Li (12.27, 15.84, 3.373) [0.6042, 0.7797, 0.1661]\n", + " PeriodicSite: Li (14.76, 15.89, 12.74) [0.7265, 0.7821, 0.6273]\n", + " PeriodicSite: Li (0.5392, 8.824, 2.365) [0.02654, 0.4344, 0.1164]\n", + " PeriodicSite: Li (17.25, 6.093, 9.856) [0.8494, 0.2999, 0.4852]\n", + " PeriodicSite: Li (3.163, 18.33, 4.605) [0.1557, 0.9023, 0.2267]\n", + " PeriodicSite: Li (0.05441, 18.72, 12.61) [0.002674, 0.9218, 0.621]\n", + " PeriodicSite: Li (9.383, 7.087, 3.863) [0.4619, 0.3489, 0.1902]\n", + " PeriodicSite: Li (14.53, 8.489, 13.7) [0.7153, 0.4179, 0.6742]\n", + " PeriodicSite: Li (13.09, 16.08, 0.6225) [0.6442, 0.7917, 0.03065]\n", + " PeriodicSite: Li (10.36, 14.59, 17.19) [0.51, 0.7181, 0.8461]\n", + " PeriodicSite: Li (5.916, 8.677, 4.198) [0.2913, 0.4272, 0.2067]\n", + " PeriodicSite: Li (19.89, 11.87, 11.83) [0.979, 0.5846, 0.5822]\n", + " PeriodicSite: Li (17.83, 15.84, 5.432) [0.8777, 0.78, 0.2674]\n", + " PeriodicSite: Li (3.051, 20.07, 13.21) [0.1502, 0.9883, 0.6502]\n", + " PeriodicSite: Li (17.11, 9.748, 3.492) [0.8424, 0.4799, 0.1719]\n", + " PeriodicSite: Li (13.08, 6.954, 10.37) [0.6439, 0.3423, 0.5105]\n", + " PeriodicSite: Li (12.32, 19.37, 20.24) [0.6064, 0.9534, 0.9964]\n", + " PeriodicSite: Li (13.58, 17.29, 10.45) [0.6687, 0.8512, 0.5147]\n", + " PeriodicSite: Li (3.238, 3.259, 19.98) [0.1594, 0.1605, 0.9837]\n", + " PeriodicSite: Li (3.68, 9.823, 13.76) [0.1812, 0.4836, 0.6773]\n", + " PeriodicSite: Li (4.5, 19.7, 2.571) [0.2215, 0.97, 0.1266]\n", + " PeriodicSite: Li (1.813, 15.55, 13.03) [0.08927, 0.7654, 0.6417]\n", + " PeriodicSite: Li (12.72, 9.415, 4.113) [0.6262, 0.4635, 0.2025]\n", + " PeriodicSite: Li (14.14, 5.306, 12.18) [0.6963, 0.2612, 0.5998]\n", + " PeriodicSite: Li (15.2, 17.33, 1.975) [0.7481, 0.8533, 0.09726]\n", + " PeriodicSite: Li (19.53, 4.325, 12.95) [0.9614, 0.2129, 0.6374]\n", + " PeriodicSite: Li (9.759, 3.485, 3.554) [0.4804, 0.1716, 0.1749]\n", + " PeriodicSite: Li (9.75, 1.622, 12.38) [0.48, 0.07984, 0.6097]\n", + " PeriodicSite: Li (6.936, 11.6, 4.801) [0.3415, 0.571, 0.2364]\n", + " PeriodicSite: Li (4.235, 12.29, 15.37) [0.2085, 0.6051, 0.7569]\n", + " PeriodicSite: Li (18.82, 3.261, 4.443) [0.9268, 0.1605, 0.2187]\n", + " PeriodicSite: Li (13.36, 3.548, 10.16) [0.6579, 0.1747, 0.5001]\n", + " PeriodicSite: Li (18.32, 12.09, 0.1347) [0.9017, 0.5954, 0.006637]\n", + " PeriodicSite: Li (16.9, 10.5, 13.17) [0.8318, 0.5167, 0.6482]\n", + " PeriodicSite: Li (5.931, 18.26, 5.649) [0.292, 0.8989, 0.2781]\n", + " PeriodicSite: Li (8.652, 3.218, 15.3) [0.426, 0.1584, 0.7534]\n", + " PeriodicSite: Li (7.106, 13.17, 0.2539) [0.3498, 0.6486, 0.0125]\n", + " PeriodicSite: Li (9.665, 14.26, 13.03) [0.4758, 0.7018, 0.6413]\n", + " PeriodicSite: Li (13.8, 0.174, 2.836) [0.6792, 0.00856, 0.1396]\n", + " PeriodicSite: Li (18.28, 1.391, 10.49) [0.8998, 0.06847, 0.5166]\n", + " PeriodicSite: Li (16.94, 14.72, 2.221) [0.8339, 0.7249, 0.1093]\n", + " PeriodicSite: Li (17.38, 14.93, 12.37) [0.8555, 0.7351, 0.6092]\n", + " PeriodicSite: Li (8.475, 4.696, 6.811) [0.4172, 0.2312, 0.3353]\n", + " PeriodicSite: Li (6.659, 0.08456, 13.54) [0.3278, 0.004161, 0.6667]\n", + " PeriodicSite: Li (9.675, 12.84, 2.817) [0.4763, 0.6323, 0.1387]\n", + " PeriodicSite: Li (5.796, 13.91, 11.84) [0.2853, 0.6848, 0.5828]\n", + " PeriodicSite: Li (20.08, 2.745, 1.547) [0.9886, 0.1351, 0.07616]\n", + " PeriodicSite: Li (0.5834, 8.491, 12.33) [0.02872, 0.418, 0.607]\n", + " PeriodicSite: Li (15.53, 12.86, 0.6792) [0.7646, 0.6331, 0.03344]\n", + " PeriodicSite: Li (15.29, 12.57, 13.21) [0.7526, 0.6191, 0.6502]\n", + " PeriodicSite: Li (2.601, 1.085, 5.235) [0.1281, 0.05339, 0.2577]\n", + " PeriodicSite: Li (5.509, 2.132, 14.14) [0.2712, 0.105, 0.6959]\n", + " PeriodicSite: Li (4.878, 13.18, 2.333) [0.2402, 0.6489, 0.1148]\n", + " PeriodicSite: Li (8.565, 7.204, 15.23) [0.4217, 0.3546, 0.75]\n", + " PeriodicSite: Li (17.54, 4.272, 0.6483) [0.8635, 0.2103, 0.03192]\n", + " PeriodicSite: Li (17.1, 0.3308, 13.68) [0.8421, 0.01628, 0.6733]\n", + " PeriodicSite: Li (14.64, 13.94, 18.42) [0.7207, 0.6865, 0.9067]\n", + " PeriodicSite: Li (17.17, 13.45, 10.41) [0.8453, 0.6624, 0.5126]\n", + " PeriodicSite: Li (7.069, 3.937, 0.0608) [0.348, 0.1938, 0.002995]\n", + " PeriodicSite: Li (5.227, 2.587, 11.46) [0.2573, 0.1273, 0.5644]\n", + " PeriodicSite: Li (8.313, 9.894, 1.684) [0.4092, 0.4871, 0.08289]\n", + " PeriodicSite: Li (8.127, 10.46, 11.27) [0.4001, 0.515, 0.5549]\n", + " PeriodicSite: Li (16.3, 1.792, 4.071) [0.8023, 0.08821, 0.2004]\n", + " PeriodicSite: Li (16.13, 3.172, 10.43) [0.7941, 0.1562, 0.5135]\n", + " PeriodicSite: Li (19.76, 8.738, 17.87) [0.9728, 0.4302, 0.8798]\n", + " PeriodicSite: Li (19.01, 13.13, 14.2) [0.936, 0.6465, 0.6988]\n", + " PeriodicSite: Li (8.52, 0.6717, 1.73) [0.4195, 0.03306, 0.08516]\n", + " PeriodicSite: Li (7.692, 0.7884, 10.94) [0.3787, 0.03881, 0.5384]\n", + " PeriodicSite: Li (7.605, 14.31, 4.612) [0.3744, 0.7046, 0.2271]\n", + " PeriodicSite: Li (4.309, 16.67, 12.25) [0.2122, 0.8205, 0.6033]\n", + " PeriodicSite: Li (15.41, 2.918, 1.438) [0.7586, 0.1437, 0.07078]\n", + " PeriodicSite: Li (2.097, 6.047, 14.83) [0.1032, 0.2977, 0.7302]\n", + " PeriodicSite: Li (5.237, 13.15, 8.634) [0.2578, 0.6475, 0.4251]\n", + " PeriodicSite: Li (13.72, 13.71, 10.38) [0.6755, 0.675, 0.5108]\n", + " PeriodicSite: Li (14.59, 11.43, 6.946) [0.7185, 0.5625, 0.342]\n", + " PeriodicSite: Li (5.584, 8.156, 15.99) [0.2749, 0.4015, 0.7872]\n", + " PeriodicSite: Li (7.39, 17.42, 9.86) [0.3638, 0.8577, 0.4854]\n", + " PeriodicSite: Li (3.525, 16.1, 19.0) [0.1736, 0.7928, 0.9353]\n", + " PeriodicSite: Li (16.72, 9.798, 7.31) [0.8229, 0.4824, 0.3599]\n", + " PeriodicSite: Li (3.34, 4.715, 18.29) [0.1644, 0.2321, 0.9006]\n", + " PeriodicSite: Li (17.1, 19.23, 4.516) [0.842, 0.9469, 0.2224]\n", + " PeriodicSite: Li (19.57, 18.6, 19.02) [0.9632, 0.9158, 0.9363]\n", + " PeriodicSite: Li (7.261, 10.19, 6.942) [0.3574, 0.5014, 0.3418]\n", + " PeriodicSite: Li (9.04, 6.211, 18.26) [0.4451, 0.3058, 0.8991]\n", + " PeriodicSite: Li (7.467, 20.08, 7.498) [0.3676, 0.9886, 0.3692]\n", + " PeriodicSite: Li (8.274, 16.62, 15.35) [0.4073, 0.8184, 0.7557]\n", + " PeriodicSite: Li (18.19, 9.067, 10.27) [0.8953, 0.4464, 0.5054]\n", + " PeriodicSite: Li (16.55, 5.743, 18.64) [0.8149, 0.2827, 0.9176]\n", + " PeriodicSite: Li (18.54, 20.17, 7.635) [0.9127, 0.9931, 0.3759]\n", + " PeriodicSite: Li (18.46, 16.72, 15.95) [0.9087, 0.8233, 0.785]\n", + " PeriodicSite: Li (6.091, 7.075, 10.03) [0.2999, 0.3483, 0.4938]\n", + " PeriodicSite: Li (6.2, 5.812, 17.95) [0.3052, 0.2861, 0.8839]\n", + " PeriodicSite: Li (9.828, 18.56, 8.199) [0.4838, 0.9135, 0.4036]\n", + " PeriodicSite: Li (13.36, 12.03, 15.45) [0.6579, 0.5921, 0.7608]\n", + " PeriodicSite: Li (19.81, 7.884, 7.793) [0.9754, 0.3881, 0.3837]\n", + " PeriodicSite: Li (19.38, 5.727, 17.04) [0.9539, 0.2819, 0.8388]\n", + " PeriodicSite: Li (16.6, 17.53, 9.903) [0.8174, 0.8631, 0.4876]\n", + " PeriodicSite: Li (17.45, 15.51, 19.14) [0.8591, 0.7637, 0.9424]\n", + " PeriodicSite: Li (9.664, 8.242, 8.522) [0.4758, 0.4058, 0.4195]\n", + " PeriodicSite: Li (5.763, 5.487, 2.346) [0.2837, 0.2701, 0.1155]\n", + " PeriodicSite: Li (4.954, 16.9, 8.256) [0.2439, 0.8322, 0.4065]\n", + " PeriodicSite: Li (7.036, 15.37, 1.83) [0.3464, 0.7565, 0.09011]\n", + " PeriodicSite: Li (15.34, 7.079, 7.972) [0.7551, 0.3485, 0.3925]\n", + " PeriodicSite: Li (18.13, 8.673, 0.3733) [0.8926, 0.427, 0.01839]\n", + " PeriodicSite: Li (15.4, 18.92, 6.89) [0.758, 0.9317, 0.3392]\n", + " PeriodicSite: Li (15.2, 17.82, 15.18) [0.7485, 0.8775, 0.7472]\n", + " PeriodicSite: Li (7.376, 4.467, 11.3) [0.3631, 0.2199, 0.5563]\n", + " PeriodicSite: Li (6.57, 6.955, 0.01038) [0.3234, 0.3424, 0.0005133]\n", + " PeriodicSite: Li (9.014, 17.41, 5.704) [0.4438, 0.857, 0.2808]\n", + " PeriodicSite: Li (10.21, 18.19, 2.032) [0.5024, 0.8955, 0.1]\n", + " PeriodicSite: Li (15.45, 7.787, 4.797) [0.7608, 0.3834, 0.2361]\n", + " PeriodicSite: Li (13.64, 6.172, 19.18) [0.6713, 0.3038, 0.9444]\n", + " PeriodicSite: Li (20.04, 17.1, 7.086) [0.9865, 0.8421, 0.3489]\n", + " PeriodicSite: Li (18.4, 0.3967, 1.603) [0.9058, 0.01952, 0.07891]\n", + " PeriodicSite: Li (3.315, 10.09, 3.574) [0.1632, 0.4968, 0.1759]\n", + " PeriodicSite: Li (9.362, 9.624, 17.87) [0.4609, 0.4738, 0.8799]\n", + " PeriodicSite: Li (7.224, 15.39, 8.014) [0.3557, 0.7577, 0.3945]\n", + " PeriodicSite: Li (6.125, 19.26, 16.83) [0.3016, 0.9482, 0.8286]\n", + " PeriodicSite: Li (18.34, 6.55, 5.603) [0.9027, 0.3225, 0.2758]\n", + " PeriodicSite: Li (16.73, 11.04, 16.61) [0.8237, 0.5435, 0.8179]\n", + " PeriodicSite: Li (2.708, 15.72, 2.064) [0.1333, 0.774, 0.1016]\n", + " PeriodicSite: Li (15.29, 2.119, 15.27) [0.7527, 0.1043, 0.7518]\n", + " PeriodicSite: Cl (7.525, 12.65, 12.7) [0.3705, 0.6229, 0.6251]\n", + " PeriodicSite: Cl (2.585, 12.31, 18.23) [0.1273, 0.6061, 0.8973]\n", + " PeriodicSite: Cl (13.24, 17.9, 12.76) [0.6518, 0.8814, 0.6283]\n", + " PeriodicSite: Cl (17.67, 7.688, 17.67) [0.87, 0.3785, 0.87]\n", + " PeriodicSite: Cl (7.587, 2.659, 2.577) [0.3735, 0.1309, 0.1269]\n", + " PeriodicSite: Cl (7.462, 7.573, 8.063) [0.3674, 0.3728, 0.3969]\n", + " PeriodicSite: Cl (12.85, 12.99, 7.55) [0.6326, 0.6393, 0.3717]\n", + " PeriodicSite: Cl (2.729, 8.122, 2.633) [0.1344, 0.3999, 0.1296]\n", + " PeriodicSite: Cl (2.671, 7.516, 13.12) [0.1315, 0.37, 0.646]\n", + " PeriodicSite: Cl (12.78, 12.58, 17.87) [0.6289, 0.6193, 0.8795]\n", + " PeriodicSite: Cl (17.52, 17.76, 17.94) [0.8627, 0.8741, 0.8831]\n", + " PeriodicSite: Cl (2.489, 2.618, 7.536) [0.1225, 0.1289, 0.371]\n", + " PeriodicSite: Cl (12.85, 2.411, 17.93) [0.6327, 0.1187, 0.8825]\n", + " PeriodicSite: Cl (12.42, 7.453, 2.466) [0.6113, 0.3669, 0.1214]\n", + " PeriodicSite: Cl (17.54, 2.316, 12.39) [0.8633, 0.114, 0.6101]\n", + " PeriodicSite: Cl (7.904, 17.85, 17.33) [0.3891, 0.8785, 0.853]\n", + " PeriodicSite: Cl (0.1757, 20.3, 20.29) [0.008644, 0.9993, 0.9987]\n", + " PeriodicSite: Cl (0.1303, 20.03, 10.47) [0.006406, 0.9863, 0.5153]\n", + " PeriodicSite: Cl (20.15, 10.02, 0.2783) [0.9922, 0.4934, 0.01371]\n", + " PeriodicSite: Cl (0.3868, 10.2, 10.44) [0.01904, 0.5022, 0.5141]\n", + " PeriodicSite: Cl (10.05, 19.99, 0.256) [0.4947, 0.9843, 0.01261]\n", + " PeriodicSite: Cl (10.09, 20.25, 10.01) [0.4967, 0.997, 0.4929]\n", + " PeriodicSite: Cl (10.38, 10.29, 20.09) [0.5112, 0.5064, 0.9889]\n", + " PeriodicSite: Cl (10.2, 10.06, 10.31) [0.5024, 0.4954, 0.5076]\n", + " PeriodicSite: Cl (0.004705, 4.834, 5.184) [0.0002308, 0.238, 0.2552]\n", + " PeriodicSite: Cl (0.2426, 4.393, 15.29) [0.01194, 0.2163, 0.7526]\n", + " PeriodicSite: Cl (19.98, 15.18, 5.461) [0.9836, 0.7472, 0.2689]\n", + " PeriodicSite: Cl (20.31, 15.24, 14.98) [0.9999, 0.7503, 0.7377]\n", + " PeriodicSite: Cl (10.18, 5.22, 5.261) [0.5013, 0.257, 0.259]\n", + " PeriodicSite: Cl (9.912, 5.159, 15.29) [0.488, 0.254, 0.7529]\n", + " PeriodicSite: Cl (9.872, 15.75, 4.271) [0.486, 0.7754, 0.2103]\n", + " PeriodicSite: Cl (10.19, 15.7, 14.95) [0.5019, 0.7728, 0.7362]\n", + " PeriodicSite: S (5.003, 0.2243, 4.948) [0.2463, 0.01104, 0.2436]\n", + " PeriodicSite: S (4.774, 0.3228, 15.06) [0.235, 0.01589, 0.7412]\n", + " PeriodicSite: S (4.962, 10.39, 5.496) [0.2443, 0.5116, 0.2706]\n", + " PeriodicSite: S (4.916, 10.19, 15.6) [0.242, 0.5016, 0.7682]\n", + " PeriodicSite: S (14.99, 0.09468, 4.995) [0.738, 0.004655, 0.2459]\n", + " PeriodicSite: S (15.14, 20.12, 15.16) [0.7456, 0.9907, 0.7465]\n", + " PeriodicSite: S (15.36, 10.04, 5.152) [0.7561, 0.4941, 0.2536]\n", + " PeriodicSite: S (15.25, 10.17, 15.06) [0.7506, 0.5005, 0.7414]\n", + " PeriodicSite: S (5.013, 5.08, 0.07142) [0.2468, 0.2501, 0.003518]\n", + " PeriodicSite: S (5.233, 5.164, 10.36) [0.2576, 0.2542, 0.5099]\n", + " PeriodicSite: S (5.346, 14.96, 0.1904) [0.2632, 0.7367, 0.009374]\n", + " PeriodicSite: S (5.588, 15.43, 10.13) [0.2751, 0.7594, 0.4989]\n", + " PeriodicSite: S (15.16, 4.758, 20.12) [0.7462, 0.2342, 0.9905]\n", + " PeriodicSite: S (14.97, 5.388, 9.951) [0.7371, 0.2653, 0.4899]\n", + " PeriodicSite: S (15.47, 14.96, 0.2152) [0.7617, 0.7364, 0.0106]\n", + " PeriodicSite: S (15.53, 15.5, 10.35) [0.7645, 0.763, 0.5096]\n", + " PeriodicSite: S (8.667, 3.883, 9.002) [0.4267, 0.1912, 0.4432]\n", + " PeriodicSite: S (9.218, 3.783, 18.97) [0.4538, 0.1862, 0.934]\n", + " PeriodicSite: S (9.22, 14.09, 8.502) [0.4539, 0.6936, 0.4186]\n", + " PeriodicSite: S (9.117, 14.01, 19.15) [0.4489, 0.6897, 0.9427]\n", + " PeriodicSite: S (18.74, 3.928, 9.418) [0.9226, 0.1934, 0.4637]\n", + " PeriodicSite: S (18.96, 4.198, 18.95) [0.9334, 0.2067, 0.933]\n", + " PeriodicSite: S (19.23, 13.67, 9.013) [0.9469, 0.6728, 0.4437]\n", + " PeriodicSite: S (19.49, 13.94, 19.07) [0.9594, 0.6864, 0.9389]\n", + " PeriodicSite: S (3.721, 0.887, 0.9368) [0.1832, 0.04367, 0.04612]\n", + " PeriodicSite: S (3.455, 0.8502, 11.12) [0.1701, 0.04186, 0.5476]\n", + " PeriodicSite: S (3.929, 11.16, 1.334) [0.1934, 0.5496, 0.06568]\n", + " PeriodicSite: S (4.203, 11.37, 11.78) [0.2069, 0.5597, 0.5799]\n", + " PeriodicSite: S (13.67, 1.276, 0.7211) [0.6728, 0.0628, 0.0355]\n", + " PeriodicSite: S (14.3, 1.591, 11.14) [0.7039, 0.07831, 0.5484]\n", + " PeriodicSite: S (13.8, 11.02, 1.281) [0.6792, 0.5423, 0.06305]\n", + " PeriodicSite: S (13.89, 11.61, 11.51) [0.6837, 0.5714, 0.5666]\n", + " PeriodicSite: S (6.146, 1.226, 9.179) [0.3026, 0.06038, 0.4519]\n", + " PeriodicSite: S (6.39, 1.5, 19.0) [0.3146, 0.07384, 0.9352]\n", + " PeriodicSite: S (6.755, 11.36, 9.357) [0.3326, 0.5592, 0.4607]\n", + " PeriodicSite: S (6.77, 11.23, 19.83) [0.3333, 0.5528, 0.9764]\n", + " PeriodicSite: S (16.65, 1.178, 8.774) [0.8195, 0.05799, 0.4319]\n", + " PeriodicSite: S (16.63, 1.118, 18.98) [0.8189, 0.05505, 0.9346]\n", + " PeriodicSite: S (16.37, 11.44, 9.152) [0.8057, 0.5631, 0.4506]\n", + " PeriodicSite: S (16.43, 10.74, 19.56) [0.8089, 0.5286, 0.9632]\n", + " PeriodicSite: S (1.394, 4.485, 0.7246) [0.06863, 0.2208, 0.03567]\n", + " PeriodicSite: S (1.049, 3.589, 11.4) [0.05164, 0.1767, 0.5612]\n", + " PeriodicSite: S (1.263, 13.78, 1.556) [0.0622, 0.6782, 0.07661]\n", + " PeriodicSite: S (1.294, 13.75, 11.32) [0.0637, 0.6769, 0.5572]\n", + " PeriodicSite: S (10.96, 3.837, 1.577) [0.5397, 0.1889, 0.07765]\n", + " PeriodicSite: S (11.25, 3.754, 11.17) [0.554, 0.1848, 0.5498]\n", + " PeriodicSite: S (11.1, 14.43, 1.327) [0.5464, 0.7104, 0.06533]\n", + " PeriodicSite: S (11.35, 13.83, 10.98) [0.5585, 0.6808, 0.5404]\n", + " PeriodicSite: S (2.632, 2.305, 17.72) [0.1296, 0.1135, 0.8725]\n", + " PeriodicSite: S (2.807, 12.48, 8.112) [0.1382, 0.6144, 0.3993]\n", + " PeriodicSite: S (13.27, 2.832, 7.786) [0.6532, 0.1394, 0.3833]\n", + " PeriodicSite: S (8.399, 9.488, 3.9) [0.4135, 0.4671, 0.192]\n", + " PeriodicSite: S (9.116, 9.158, 13.93) [0.4488, 0.4508, 0.6856]\n", + " PeriodicSite: S (8.708, 19.37, 4.076) [0.4287, 0.9538, 0.2007]\n", + " PeriodicSite: S (9.384, 19.5, 13.92) [0.462, 0.9599, 0.6852]\n", + " PeriodicSite: S (19.15, 8.704, 4.112) [0.9426, 0.4285, 0.2025]\n", + " PeriodicSite: S (19.1, 9.242, 13.79) [0.9403, 0.455, 0.6789]\n", + " PeriodicSite: S (19.47, 19.08, 3.475) [0.9587, 0.9392, 0.1711]\n", + " PeriodicSite: S (18.75, 18.78, 14.4) [0.9229, 0.9248, 0.7092]\n", + " PeriodicSite: S (3.817, 5.795, 6.566) [0.1879, 0.2853, 0.3233]\n", + " PeriodicSite: S (4.086, 6.229, 16.47) [0.2012, 0.3067, 0.8108]\n", + " PeriodicSite: S (3.68, 16.71, 6.272) [0.1812, 0.8227, 0.3088]\n", + " PeriodicSite: S (3.595, 16.9, 16.53) [0.177, 0.8321, 0.814]\n", + " PeriodicSite: S (14.17, 6.168, 5.99) [0.6975, 0.3036, 0.2949]\n", + " PeriodicSite: S (13.93, 6.288, 16.66) [0.686, 0.3095, 0.8204]\n", + " PeriodicSite: S (13.46, 16.15, 5.855) [0.6625, 0.7953, 0.2883]\n", + " PeriodicSite: S (14.26, 16.07, 16.75) [0.7021, 0.7914, 0.8245]\n", + " PeriodicSite: S (6.502, 6.531, 4.497) [0.3201, 0.3215, 0.2214]\n", + " PeriodicSite: S (6.593, 6.109, 13.95) [0.3246, 0.3008, 0.6867]\n", + " PeriodicSite: S (6.404, 16.31, 4.107) [0.3153, 0.8029, 0.2022]\n", + " PeriodicSite: S (5.737, 16.75, 14.08) [0.2824, 0.8248, 0.6929]\n", + " PeriodicSite: S (16.56, 5.944, 3.656) [0.8152, 0.2926, 0.18]\n", + " PeriodicSite: S (16.02, 6.235, 13.92) [0.7889, 0.307, 0.6851]\n", + " PeriodicSite: S (16.26, 16.74, 4.028) [0.8006, 0.8242, 0.1983]\n", + " PeriodicSite: S (16.6, 16.09, 14.43) [0.8171, 0.792, 0.7102]\n", + " PeriodicSite: S (1.288, 8.904, 6.355) [0.0634, 0.4384, 0.3129]\n", + " PeriodicSite: S (0.8907, 8.584, 15.97) [0.04385, 0.4226, 0.7864]\n", + " PeriodicSite: S (1.108, 19.47, 6.223) [0.05454, 0.9586, 0.3064]\n", + " PeriodicSite: S (0.5222, 19.04, 16.91) [0.0257, 0.9372, 0.8325]\n", + " PeriodicSite: S (11.0, 8.775, 5.87) [0.5417, 0.432, 0.289]\n", + " PeriodicSite: S (11.23, 8.921, 16.45) [0.5527, 0.4392, 0.81]\n", + " PeriodicSite: S (11.35, 19.29, 6.19) [0.559, 0.9499, 0.3047]\n", + " PeriodicSite: S (11.12, 19.36, 16.74) [0.5473, 0.9531, 0.824]\n", + " PeriodicSite: S (2.741, 17.97, 2.419) [0.1349, 0.8846, 0.1191]\n", + " PeriodicSite: S (2.198, 17.86, 13.04) [0.1082, 0.8792, 0.642]\n", + " PeriodicSite: S (12.46, 7.549, 12.58) [0.6133, 0.3716, 0.6193]\n", + " PeriodicSite: S (12.98, 18.05, 2.258) [0.639, 0.8887, 0.1112]\n", + " PeriodicSite: S (4.237, 4.281, 3.573) [0.2086, 0.2107, 0.1759]\n", + " PeriodicSite: S (4.037, 4.092, 13.98) [0.1987, 0.2015, 0.6884]\n", + " PeriodicSite: S (3.385, 14.43, 3.901) [0.1666, 0.7104, 0.192]\n", + " PeriodicSite: S (3.62, 14.41, 14.14) [0.1782, 0.7094, 0.696]\n", + " PeriodicSite: S (14.03, 3.611, 3.679) [0.6905, 0.1778, 0.1811]\n", + " PeriodicSite: S (13.54, 4.028, 14.24) [0.6668, 0.1983, 0.7012]\n", + " PeriodicSite: S (14.07, 14.05, 3.516) [0.6925, 0.6918, 0.1731]\n", + " PeriodicSite: S (14.05, 14.14, 14.18) [0.6918, 0.696, 0.698]\n", + " PeriodicSite: S (9.044, 1.633, 6.163) [0.4453, 0.08037, 0.3034]\n", + " PeriodicSite: S (8.528, 1.186, 16.78) [0.4198, 0.0584, 0.826]\n", + " PeriodicSite: S (8.8, 11.62, 6.338) [0.4332, 0.572, 0.312]\n", + " PeriodicSite: S (8.997, 11.44, 16.65) [0.4429, 0.5632, 0.8199]\n", + " PeriodicSite: S (18.88, 1.306, 5.776) [0.9294, 0.06428, 0.2844]\n", + " PeriodicSite: S (18.98, 1.345, 16.16) [0.9346, 0.06621, 0.7956]\n", + " PeriodicSite: S (19.17, 11.32, 6.241) [0.9437, 0.5574, 0.3073]\n", + " PeriodicSite: S (19.21, 11.54, 16.28) [0.9458, 0.5683, 0.8013]\n", + " PeriodicSite: S (0.9399, 1.468, 3.621) [0.04627, 0.07227, 0.1782]\n", + " PeriodicSite: S (1.132, 0.5112, 14.3) [0.05575, 0.02517, 0.7039]\n", + " PeriodicSite: S (1.052, 11.17, 3.636) [0.05179, 0.5497, 0.179]\n", + " PeriodicSite: S (1.57, 11.3, 14.1) [0.07728, 0.5565, 0.6941]\n", + " PeriodicSite: S (11.34, 1.325, 3.772) [0.5581, 0.06522, 0.1857]\n", + " PeriodicSite: S (10.9, 1.885, 14.42) [0.5364, 0.09282, 0.7099]\n", + " PeriodicSite: S (11.23, 11.39, 3.994) [0.5529, 0.5607, 0.1966]\n", + " PeriodicSite: S (11.54, 11.67, 14.28) [0.568, 0.5743, 0.7029]\n", + " PeriodicSite: S (6.35, 3.516, 6.014) [0.3126, 0.1731, 0.2961]\n", + " PeriodicSite: S (6.412, 3.875, 16.35) [0.3157, 0.1908, 0.805]\n", + " PeriodicSite: S (6.006, 14.1, 6.271) [0.2957, 0.6941, 0.3087]\n", + " PeriodicSite: S (5.89, 14.34, 16.42) [0.29, 0.7059, 0.8082]\n", + " PeriodicSite: S (16.54, 3.52, 6.134) [0.8144, 0.1733, 0.302]\n", + " PeriodicSite: S (16.54, 4.076, 16.14) [0.8142, 0.2007, 0.7944]\n", + " PeriodicSite: S (16.12, 14.03, 6.167) [0.7935, 0.6907, 0.3036]\n", + " PeriodicSite: S (16.42, 13.69, 16.78) [0.8082, 0.6741, 0.826]\n", + " PeriodicSite: S (7.476, 2.187, 12.67) [0.368, 0.1077, 0.624]\n", + " PeriodicSite: S (7.315, 12.92, 2.744) [0.3601, 0.6359, 0.1351]\n", + " PeriodicSite: S (17.68, 2.47, 2.196) [0.8702, 0.1216, 0.1081]\n", + " PeriodicSite: S (17.28, 12.32, 2.285) [0.8509, 0.6067, 0.1125]\n", + " PeriodicSite: S (17.67, 12.44, 12.29) [0.87, 0.6123, 0.6052]\n", + " PeriodicSite: S (4.339, 8.962, 9.058) [0.2136, 0.4412, 0.4459]\n", + " PeriodicSite: S (4.439, 9.219, 19.02) [0.2185, 0.4538, 0.9363]\n", + " PeriodicSite: S (3.744, 19.05, 8.904) [0.1843, 0.9377, 0.4384]\n", + " PeriodicSite: S (4.279, 19.03, 18.7) [0.2106, 0.9367, 0.9208]\n", + " PeriodicSite: S (14.01, 9.312, 9.053) [0.6899, 0.4585, 0.4457]\n", + " PeriodicSite: S (13.79, 8.505, 19.45) [0.679, 0.4187, 0.9576]\n", + " PeriodicSite: S (14.12, 19.33, 8.97) [0.695, 0.9517, 0.4416]\n", + " PeriodicSite: S (14.25, 19.27, 18.78) [0.7017, 0.9484, 0.9243]\n", + " PeriodicSite: S (8.819, 6.245, 1.134) [0.4341, 0.3074, 0.05582]\n", + " PeriodicSite: S (9.105, 6.367, 11.15) [0.4483, 0.3135, 0.5492]\n", + " PeriodicSite: S (8.671, 16.68, 0.7818) [0.4269, 0.8211, 0.03849]\n", + " PeriodicSite: S (9.313, 16.37, 11.28) [0.4585, 0.806, 0.5554]\n", + " PeriodicSite: S (19.17, 6.368, 0.8998) [0.944, 0.3135, 0.0443]\n", + " PeriodicSite: S (19.41, 6.546, 11.52) [0.9554, 0.3223, 0.5672]\n", + " PeriodicSite: S (19.02, 15.94, 1.553) [0.9364, 0.7847, 0.07645]\n", + " PeriodicSite: S (19.44, 16.14, 11.49) [0.9569, 0.7944, 0.5655]\n", + " PeriodicSite: S (1.106, 5.876, 8.94) [0.05444, 0.2893, 0.4401]\n", + " PeriodicSite: S (1.042, 6.536, 18.57) [0.05129, 0.3218, 0.9141]\n", + " PeriodicSite: S (1.237, 16.12, 8.898) [0.06091, 0.7935, 0.438]\n", + " PeriodicSite: S (1.237, 16.5, 19.92) [0.06088, 0.8126, 0.9808]\n", + " PeriodicSite: S (11.03, 6.213, 8.516) [0.5429, 0.3058, 0.4192]\n", + " PeriodicSite: S (11.29, 6.408, 19.43) [0.5558, 0.3154, 0.9563]\n", + " PeriodicSite: S (11.77, 16.31, 8.852) [0.5796, 0.803, 0.4358]\n", + " PeriodicSite: S (11.31, 16.4, 19.18) [0.557, 0.8074, 0.9442]\n", + " PeriodicSite: S (5.902, 8.661, 1.68) [0.2906, 0.4264, 0.08269]\n", + " PeriodicSite: S (6.288, 8.939, 11.81) [0.3095, 0.4401, 0.5816]\n", + " PeriodicSite: S (6.279, 19.38, 1.162) [0.3091, 0.9541, 0.0572]\n", + " PeriodicSite: S (6.056, 19.06, 11.4) [0.2981, 0.9384, 0.5614]\n", + " PeriodicSite: S (15.92, 8.489, 1.828) [0.7839, 0.4179, 0.09]\n", + " PeriodicSite: S (16.23, 8.975, 11.4) [0.7989, 0.4418, 0.561]\n", + " PeriodicSite: S (16.24, 19.25, 1.275) [0.7995, 0.9475, 0.06276]\n", + " PeriodicSite: S (16.34, 19.45, 11.34) [0.8047, 0.9576, 0.5582]\n", + " PeriodicSite: S (7.538, 7.847, 17.62) [0.3711, 0.3863, 0.8675]\n", + " PeriodicSite: S (7.341, 17.69, 7.634) [0.3614, 0.871, 0.3758]\n", + " PeriodicSite: S (17.64, 7.616, 7.951) [0.8685, 0.3749, 0.3915]\n", + " PeriodicSite: S (17.47, 17.72, 7.447) [0.8601, 0.8725, 0.3666]\n", + " PeriodicSite: P (5.27, 20.28, 19.98) [0.2594, 0.9982, 0.9836]\n", + " PeriodicSite: P (4.85, 20.12, 10.22) [0.2388, 0.9904, 0.5031]\n", + " PeriodicSite: P (5.282, 10.1, 0.2933) [0.26, 0.4971, 0.01444]\n", + " PeriodicSite: P (5.267, 10.27, 10.53) [0.2593, 0.5057, 0.5182]\n", + " PeriodicSite: P (15.23, 0.07965, 20.14) [0.7497, 0.003916, 0.9916]\n", + " PeriodicSite: P (15.36, 0.1805, 10.05) [0.756, 0.008879, 0.4946]\n", + " PeriodicSite: P (15.12, 9.728, 0.4568) [0.7441, 0.4789, 0.02249]\n", + " PeriodicSite: P (15.13, 10.37, 10.34) [0.7446, 0.5106, 0.5092]\n", + " PeriodicSite: P (5.263, 5.054, 5.211) [0.2591, 0.2488, 0.2565]\n", + " PeriodicSite: P (5.354, 5.09, 15.21) [0.2636, 0.2506, 0.749]\n", + " PeriodicSite: P (4.82, 15.38, 5.066) [0.2373, 0.7574, 0.2494]\n", + " PeriodicSite: P (4.735, 15.55, 15.32) [0.2331, 0.7654, 0.7545]\n", + " PeriodicSite: P (15.3, 4.793, 4.938) [0.7531, 0.236, 0.2431]\n", + " PeriodicSite: P (14.94, 5.139, 15.23) [0.7355, 0.253, 0.7498]\n", + " PeriodicSite: P (14.98, 15.18, 4.84) [0.7373, 0.7475, 0.2383]\n", + " PeriodicSite: P (15.35, 14.86, 15.53) [0.7555, 0.7314, 0.7648]\n", + " PeriodicSite: P (20.18, 0.1435, 4.847) [0.9933, 0.007057, 0.2386]\n", + " PeriodicSite: P (19.96, 20.07, 15.37) [0.9828, 0.9882, 0.7566]\n", + " PeriodicSite: P (0.06162, 9.993, 5.065) [0.003031, 0.492, 0.2494]\n", + " PeriodicSite: P (0.06895, 10.23, 15.0) [0.003394, 0.5035, 0.7383]\n", + " PeriodicSite: P (10.17, 0.2838, 5.081) [0.5009, 0.01397, 0.2501]\n", + " PeriodicSite: P (9.948, 0.3789, 15.48) [0.4897, 0.01865, 0.7621]\n", + " PeriodicSite: P (9.921, 10.34, 5.126) [0.4884, 0.509, 0.2524]\n", + " PeriodicSite: P (10.21, 10.27, 15.32) [0.5027, 0.5057, 0.7541]\n", + " PeriodicSite: P (0.06133, 5.393, 19.94) [0.003022, 0.2655, 0.9818]\n", + " PeriodicSite: P (20.27, 5.087, 10.29) [0.9978, 0.2505, 0.5065]\n", + " PeriodicSite: P (0.09884, 15.05, 0.3383) [0.004859, 0.7411, 0.01665]\n", + " PeriodicSite: P (0.05354, 14.91, 10.18) [0.002632, 0.7343, 0.5012]\n", + " PeriodicSite: P (10.17, 5.055, 0.2076) [0.5005, 0.2488, 0.01022]\n", + " PeriodicSite: P (10.07, 5.046, 9.919) [0.4957, 0.2484, 0.4883]\n", + " PeriodicSite: P (10.0, 15.42, 0.01845) [0.4923, 0.7593, 0.0009124]\n", + " PeriodicSite: P (10.36, 15.24, 9.917) [0.5102, 0.7505, 0.4882],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.162, 6.733, 5.149) [0.1064, 0.3315, 0.2535]\n", + " PeriodicSite: Li (2.108, 2.782, 15.25) [0.1038, 0.1369, 0.7506]\n", + " PeriodicSite: Li (0.4069, 11.12, 8.265) [0.02003, 0.5475, 0.4069]\n", + " PeriodicSite: Li (0.5222, 12.92, 17.13) [0.02571, 0.636, 0.8431]\n", + " PeriodicSite: Li (14.88, 1.56, 7.139) [0.7324, 0.07679, 0.3515]\n", + " PeriodicSite: Li (11.75, 3.825, 16.0) [0.5786, 0.1883, 0.7878]\n", + " PeriodicSite: Li (17.02, 12.75, 4.994) [0.8379, 0.6278, 0.2459]\n", + " PeriodicSite: Li (17.27, 8.65, 15.39) [0.8504, 0.4258, 0.7578]\n", + " PeriodicSite: Li (6.508, 4.719, 8.786) [0.3204, 0.2323, 0.4325]\n", + " PeriodicSite: Li (1.994, 0.7196, 19.06) [0.09818, 0.03543, 0.9385]\n", + " PeriodicSite: Li (5.586, 7.976, 6.17) [0.275, 0.3927, 0.3037]\n", + " PeriodicSite: Li (6.81, 9.759, 17.39) [0.3353, 0.4805, 0.8561]\n", + " PeriodicSite: Li (12.22, 4.782, 7.076) [0.6015, 0.2354, 0.3484]\n", + " PeriodicSite: Li (13.06, 3.48, 20.16) [0.643, 0.1713, 0.9926]\n", + " PeriodicSite: Li (12.33, 10.12, 12.45) [0.607, 0.4981, 0.6128]\n", + " PeriodicSite: Li (9.594, 18.42, 18.74) [0.4723, 0.9068, 0.9227]\n", + " PeriodicSite: Li (4.876, 1.468, 7.058) [0.24, 0.07226, 0.3475]\n", + " PeriodicSite: Li (2.941, 19.96, 16.12) [0.1448, 0.9826, 0.7934]\n", + " PeriodicSite: Li (3.243, 10.07, 7.464) [0.1596, 0.4958, 0.3674]\n", + " PeriodicSite: Li (7.228, 10.42, 14.53) [0.3559, 0.5128, 0.7151]\n", + " PeriodicSite: Li (12.63, 0.8157, 9.52) [0.622, 0.04015, 0.4687]\n", + " PeriodicSite: Li (10.07, 1.968, 18.89) [0.4957, 0.09688, 0.9298]\n", + " PeriodicSite: Li (14.23, 15.3, 8.054) [0.7006, 0.7534, 0.3965]\n", + " PeriodicSite: Li (12.35, 10.13, 19.49) [0.6078, 0.4988, 0.9597]\n", + " PeriodicSite: Li (20.25, 3.532, 7.118) [0.997, 0.1739, 0.3504]\n", + " PeriodicSite: Li (0.00665, 2.302, 17.73) [0.0003312, 0.1134, 0.8727]\n", + " PeriodicSite: Li (0.8523, 14.47, 7.115) [0.04196, 0.7125, 0.3503]\n", + " PeriodicSite: Li (4.869, 12.76, 19.11) [0.2397, 0.6284, 0.9406]\n", + " PeriodicSite: Li (13.01, 2.005, 5.31) [0.6406, 0.09871, 0.2614]\n", + " PeriodicSite: Li (13.1, 0.1864, 16.7) [0.645, 0.00917, 0.8223]\n", + " PeriodicSite: Li (10.86, 11.65, 8.906) [0.5347, 0.5737, 0.4385]\n", + " PeriodicSite: Li (15.66, 17.23, 18.63) [0.7709, 0.8481, 0.9172]\n", + " PeriodicSite: Li (7.146, 1.645, 4.915) [0.3518, 0.08099, 0.242]\n", + " PeriodicSite: Li (1.656, 19.78, 2.012) [0.08153, 0.9739, 0.09903]\n", + " PeriodicSite: Li (2.92, 14.57, 9.511) [0.1438, 0.7173, 0.4682]\n", + " PeriodicSite: Li (2.04, 17.16, 14.95) [0.1004, 0.8448, 0.7361]\n", + " PeriodicSite: Li (15.43, 4.937, 7.898) [0.7594, 0.243, 0.3888]\n", + " PeriodicSite: Li (14.98, 3.036, 18.29) [0.7374, 0.1495, 0.9005]\n", + " PeriodicSite: Li (17.22, 15.51, 8.388) [0.8477, 0.7635, 0.4129]\n", + " PeriodicSite: Li (10.85, 12.47, 19.44) [0.5341, 0.6139, 0.957]\n", + " PeriodicSite: Li (5.243, 2.405, 3.055) [0.2581, 0.1184, 0.1504]\n", + " PeriodicSite: Li (4.779, 1.579, 17.33) [0.2353, 0.07773, 0.8531]\n", + " PeriodicSite: Li (4.197, 12.56, 6.18) [0.2066, 0.6184, 0.3042]\n", + " PeriodicSite: Li (20.05, 13.25, 3.715) [0.987, 0.6522, 0.1829]\n", + " PeriodicSite: Li (10.08, 2.317, 8.078) [0.4961, 0.1141, 0.3977]\n", + " PeriodicSite: Li (16.42, 0.4053, 17.0) [0.8081, 0.01995, 0.8372]\n", + " PeriodicSite: Li (14.86, 12.0, 3.143) [0.7315, 0.5906, 0.1547]\n", + " PeriodicSite: Li (13.89, 9.146, 16.46) [0.6838, 0.4502, 0.8101]\n", + " PeriodicSite: Li (2.835, 10.48, 16.34) [0.1396, 0.516, 0.8046]\n", + " PeriodicSite: Li (2.621, 11.31, 10.22) [0.129, 0.5566, 0.5031]\n", + " PeriodicSite: Li (0.672, 17.05, 2.515) [0.03308, 0.8394, 0.1238]\n", + " PeriodicSite: Li (1.943, 0.6739, 9.153) [0.09566, 0.03318, 0.4506]\n", + " PeriodicSite: Li (12.23, 5.075, 3.051) [0.6021, 0.2498, 0.1502]\n", + " PeriodicSite: Li (11.83, 7.304, 15.15) [0.5825, 0.3596, 0.7459]\n", + " PeriodicSite: Li (11.19, 15.26, 6.479) [0.5509, 0.7513, 0.3189]\n", + " PeriodicSite: Li (14.42, 19.48, 12.7) [0.7099, 0.9588, 0.6252]\n", + " PeriodicSite: Li (3.092, 6.646, 0.2211) [0.1522, 0.3272, 0.01089]\n", + " PeriodicSite: Li (3.244, 4.936, 9.892) [0.1597, 0.243, 0.487]\n", + " PeriodicSite: Li (6.804, 15.54, 18.76) [0.335, 0.7652, 0.9238]\n", + " PeriodicSite: Li (4.606, 18.24, 14.23) [0.2268, 0.8981, 0.7003]\n", + " PeriodicSite: Li (14.5, 6.163, 1.859) [0.714, 0.3034, 0.09153]\n", + " PeriodicSite: Li (10.27, 7.875, 11.94) [0.5054, 0.3877, 0.5878]\n", + " PeriodicSite: Li (13.47, 18.3, 4.643) [0.6631, 0.901, 0.2286]\n", + " PeriodicSite: Li (10.94, 17.91, 14.04) [0.5385, 0.882, 0.6912]\n", + " PeriodicSite: Li (1.942, 11.59, 20.06) [0.09561, 0.5705, 0.9878]\n", + " PeriodicSite: Li (4.505, 6.211, 12.81) [0.2218, 0.3058, 0.6308]\n", + " PeriodicSite: Li (4.905, 17.19, 1.56) [0.2415, 0.8463, 0.07681]\n", + " PeriodicSite: Li (1.885, 17.84, 10.28) [0.09282, 0.8783, 0.5061]\n", + " PeriodicSite: Li (10.58, 7.235, 1.107) [0.5209, 0.3562, 0.05448]\n", + " PeriodicSite: Li (11.64, 5.243, 12.91) [0.5733, 0.2581, 0.6357]\n", + " PeriodicSite: Li (12.17, 15.74, 3.665) [0.5993, 0.7747, 0.1804]\n", + " PeriodicSite: Li (14.41, 15.93, 12.74) [0.7096, 0.7843, 0.6272]\n", + " PeriodicSite: Li (0.6411, 9.22, 2.698) [0.03156, 0.4539, 0.1328]\n", + " PeriodicSite: Li (17.62, 5.789, 9.433) [0.8673, 0.285, 0.4644]\n", + " PeriodicSite: Li (2.742, 17.95, 4.756) [0.135, 0.8839, 0.2342]\n", + " PeriodicSite: Li (0.5109, 19.18, 12.66) [0.02514, 0.9441, 0.6232]\n", + " PeriodicSite: Li (9.928, 7.327, 4.437) [0.4888, 0.3607, 0.2184]\n", + " PeriodicSite: Li (14.76, 9.02, 13.18) [0.7267, 0.4441, 0.6489]\n", + " PeriodicSite: Li (13.23, 15.51, 0.5268) [0.6516, 0.7635, 0.02594]\n", + " PeriodicSite: Li (10.6, 15.17, 17.2) [0.5219, 0.7467, 0.8466]\n", + " PeriodicSite: Li (6.117, 8.743, 4.097) [0.3011, 0.4304, 0.2017]\n", + " PeriodicSite: Li (20.01, 11.97, 12.1) [0.9853, 0.5893, 0.5957]\n", + " PeriodicSite: Li (17.57, 16.23, 5.428) [0.8648, 0.7991, 0.2672]\n", + " PeriodicSite: Li (3.299, 20.12, 12.98) [0.1624, 0.9907, 0.6392]\n", + " PeriodicSite: Li (17.12, 9.751, 3.198) [0.8426, 0.4801, 0.1574]\n", + " PeriodicSite: Li (13.11, 7.228, 10.45) [0.6452, 0.3558, 0.5144]\n", + " PeriodicSite: Li (12.42, 19.28, 0.4049) [0.6113, 0.9493, 0.01994]\n", + " PeriodicSite: Li (13.33, 17.28, 10.36) [0.6561, 0.8508, 0.5098]\n", + " PeriodicSite: Li (3.178, 3.34, 20.26) [0.1565, 0.1644, 0.9973]\n", + " PeriodicSite: Li (3.795, 9.732, 13.48) [0.1868, 0.4791, 0.6636]\n", + " PeriodicSite: Li (4.581, 19.76, 2.565) [0.2255, 0.9727, 0.1263]\n", + " PeriodicSite: Li (0.992, 15.74, 13.0) [0.04883, 0.7751, 0.64]\n", + " PeriodicSite: Li (12.63, 9.494, 4.663) [0.6218, 0.4674, 0.2296]\n", + " PeriodicSite: Li (14.55, 5.958, 12.45) [0.7161, 0.2933, 0.6128]\n", + " PeriodicSite: Li (14.77, 17.52, 1.688) [0.7271, 0.8624, 0.08312]\n", + " PeriodicSite: Li (19.72, 3.702, 13.41) [0.9709, 0.1822, 0.66]\n", + " PeriodicSite: Li (9.556, 3.292, 3.783) [0.4704, 0.1621, 0.1863]\n", + " PeriodicSite: Li (10.05, 1.629, 12.64) [0.4946, 0.08022, 0.6225]\n", + " PeriodicSite: Li (7.091, 11.6, 4.962) [0.3491, 0.5713, 0.2443]\n", + " PeriodicSite: Li (5.337, 12.54, 15.46) [0.2628, 0.6176, 0.7611]\n", + " PeriodicSite: Li (18.94, 3.346, 4.266) [0.9322, 0.1647, 0.21]\n", + " PeriodicSite: Li (13.48, 3.548, 9.766) [0.6639, 0.1747, 0.4808]\n", + " PeriodicSite: Li (19.36, 12.0, 1.225) [0.9532, 0.5907, 0.06032]\n", + " PeriodicSite: Li (17.3, 10.99, 13.67) [0.8518, 0.5412, 0.6729]\n", + " PeriodicSite: Li (5.908, 18.68, 5.637) [0.2908, 0.9198, 0.2775]\n", + " PeriodicSite: Li (8.175, 2.849, 14.91) [0.4025, 0.1403, 0.7339]\n", + " PeriodicSite: Li (7.394, 12.91, 0.4315) [0.364, 0.6357, 0.02125]\n", + " PeriodicSite: Li (9.875, 14.56, 12.77) [0.4861, 0.7168, 0.6286]\n", + " PeriodicSite: Li (13.6, 19.97, 3.004) [0.6696, 0.9833, 0.1479]\n", + " PeriodicSite: Li (19.2, 1.911, 10.7) [0.9453, 0.09406, 0.5269]\n", + " PeriodicSite: Li (16.66, 14.85, 2.38) [0.8202, 0.7312, 0.1172]\n", + " PeriodicSite: Li (17.06, 15.28, 12.04) [0.8399, 0.7523, 0.5926]\n", + " PeriodicSite: Li (8.346, 5.579, 6.653) [0.4109, 0.2747, 0.3275]\n", + " PeriodicSite: Li (6.502, 0.1367, 13.43) [0.3201, 0.006728, 0.661]\n", + " PeriodicSite: Li (10.14, 13.22, 3.108) [0.4994, 0.651, 0.153]\n", + " PeriodicSite: Li (5.603, 14.18, 12.54) [0.2758, 0.6983, 0.6176]\n", + " PeriodicSite: Li (20.11, 2.071, 1.576) [0.9899, 0.1019, 0.0776]\n", + " PeriodicSite: Li (0.4914, 8.389, 12.01) [0.02419, 0.413, 0.5913]\n", + " PeriodicSite: Li (16.18, 12.51, 0.7016) [0.7967, 0.6161, 0.03454]\n", + " PeriodicSite: Li (15.31, 12.49, 13.61) [0.7535, 0.6149, 0.6698]\n", + " PeriodicSite: Li (2.946, 0.482, 5.225) [0.145, 0.02373, 0.2572]\n", + " PeriodicSite: Li (5.285, 2.33, 14.47) [0.2602, 0.1147, 0.7122]\n", + " PeriodicSite: Li (5.459, 13.52, 2.141) [0.2687, 0.6657, 0.1054]\n", + " PeriodicSite: Li (8.441, 7.253, 15.53) [0.4155, 0.3571, 0.7646]\n", + " PeriodicSite: Li (17.61, 4.803, 1.881) [0.8672, 0.2364, 0.09262]\n", + " PeriodicSite: Li (17.2, 0.2643, 13.68) [0.847, 0.013, 0.6734]\n", + " PeriodicSite: Li (14.75, 14.28, 18.31) [0.7262, 0.7028, 0.9016]\n", + " PeriodicSite: Li (17.17, 12.53, 10.36) [0.8452, 0.6171, 0.5101]\n", + " PeriodicSite: Li (6.737, 3.454, 0.04637) [0.3317, 0.17, 0.002285]\n", + " PeriodicSite: Li (5.357, 2.644, 11.53) [0.2637, 0.1302, 0.5676]\n", + " PeriodicSite: Li (8.173, 10.79, 1.916) [0.4023, 0.5314, 0.09431]\n", + " PeriodicSite: Li (8.633, 11.18, 11.48) [0.425, 0.5502, 0.5652]\n", + " PeriodicSite: Li (16.65, 1.565, 4.401) [0.8196, 0.07704, 0.2166]\n", + " PeriodicSite: Li (16.51, 3.64, 11.13) [0.8127, 0.1792, 0.5481]\n", + " PeriodicSite: Li (20.2, 8.942, 18.39) [0.9943, 0.4402, 0.9051]\n", + " PeriodicSite: Li (18.86, 13.54, 15.03) [0.9283, 0.6665, 0.7402]\n", + " PeriodicSite: Li (8.954, 0.5908, 1.712) [0.4408, 0.02908, 0.08427]\n", + " PeriodicSite: Li (7.87, 1.029, 10.65) [0.3875, 0.05068, 0.5241]\n", + " PeriodicSite: Li (7.763, 14.55, 4.632) [0.3822, 0.7166, 0.228]\n", + " PeriodicSite: Li (4.334, 16.97, 11.39) [0.2134, 0.8353, 0.561]\n", + " PeriodicSite: Li (15.33, 2.995, 1.65) [0.7549, 0.1474, 0.08123]\n", + " PeriodicSite: Li (2.113, 6.512, 15.04) [0.104, 0.3206, 0.7404]\n", + " PeriodicSite: Li (5.007, 13.16, 9.232) [0.2465, 0.6481, 0.4545]\n", + " PeriodicSite: Li (13.63, 13.43, 10.09) [0.6708, 0.6612, 0.4967]\n", + " PeriodicSite: Li (14.43, 11.23, 7.013) [0.7102, 0.5528, 0.3453]\n", + " PeriodicSite: Li (5.464, 7.884, 15.98) [0.269, 0.3882, 0.7867]\n", + " PeriodicSite: Li (6.911, 16.55, 10.64) [0.3402, 0.815, 0.5237]\n", + " PeriodicSite: Li (3.613, 16.19, 18.79) [0.1779, 0.7972, 0.9249]\n", + " PeriodicSite: Li (17.26, 9.63, 6.668) [0.85, 0.4741, 0.3283]\n", + " PeriodicSite: Li (2.959, 4.837, 18.23) [0.1457, 0.2381, 0.8972]\n", + " PeriodicSite: Li (17.33, 19.34, 5.149) [0.8532, 0.9523, 0.2535]\n", + " PeriodicSite: Li (19.41, 18.12, 19.34) [0.9556, 0.8921, 0.9523]\n", + " PeriodicSite: Li (6.494, 9.949, 7.739) [0.3197, 0.4898, 0.381]\n", + " PeriodicSite: Li (10.04, 6.092, 17.52) [0.4942, 0.2999, 0.8626]\n", + " PeriodicSite: Li (7.871, 20.24, 7.631) [0.3875, 0.9962, 0.3757]\n", + " PeriodicSite: Li (8.412, 17.32, 15.45) [0.4141, 0.8527, 0.7605]\n", + " PeriodicSite: Li (18.02, 8.542, 10.02) [0.8872, 0.4205, 0.4931]\n", + " PeriodicSite: Li (17.12, 5.347, 19.15) [0.8426, 0.2632, 0.9428]\n", + " PeriodicSite: Li (18.45, 19.91, 8.144) [0.9082, 0.9802, 0.401]\n", + " PeriodicSite: Li (18.91, 17.13, 15.62) [0.9308, 0.8434, 0.7691]\n", + " PeriodicSite: Li (6.297, 7.088, 10.11) [0.31, 0.349, 0.4979]\n", + " PeriodicSite: Li (6.166, 5.269, 17.68) [0.3036, 0.2594, 0.8706]\n", + " PeriodicSite: Li (9.525, 18.53, 8.496) [0.4689, 0.9123, 0.4183]\n", + " PeriodicSite: Li (13.07, 12.17, 15.92) [0.6435, 0.5991, 0.7835]\n", + " PeriodicSite: Li (20.01, 7.524, 8.092) [0.9853, 0.3704, 0.3984]\n", + " PeriodicSite: Li (19.23, 5.636, 16.39) [0.9467, 0.2775, 0.807]\n", + " PeriodicSite: Li (16.41, 17.62, 9.478) [0.808, 0.8672, 0.4666]\n", + " PeriodicSite: Li (17.69, 15.67, 19.72) [0.8711, 0.7713, 0.9707]\n", + " PeriodicSite: Li (9.525, 8.532, 8.387) [0.4689, 0.42, 0.4129]\n", + " PeriodicSite: Li (5.675, 5.577, 1.926) [0.2794, 0.2745, 0.09484]\n", + " PeriodicSite: Li (5.249, 17.44, 8.176) [0.2584, 0.8587, 0.4025]\n", + " PeriodicSite: Li (7.321, 15.54, 1.774) [0.3604, 0.7649, 0.08732]\n", + " PeriodicSite: Li (15.65, 7.503, 8.77) [0.7705, 0.3694, 0.4318]\n", + " PeriodicSite: Li (17.74, 8.149, 19.57) [0.8735, 0.4012, 0.9632]\n", + " PeriodicSite: Li (15.44, 18.79, 6.816) [0.7602, 0.925, 0.3356]\n", + " PeriodicSite: Li (15.31, 18.07, 15.54) [0.7537, 0.8894, 0.7648]\n", + " PeriodicSite: Li (7.356, 4.168, 11.42) [0.3621, 0.2052, 0.5621]\n", + " PeriodicSite: Li (7.24, 7.269, 20.11) [0.3564, 0.3578, 0.9903]\n", + " PeriodicSite: Li (8.521, 17.6, 5.167) [0.4195, 0.8665, 0.2544]\n", + " PeriodicSite: Li (10.46, 17.86, 2.631) [0.5149, 0.8792, 0.1295]\n", + " PeriodicSite: Li (15.42, 8.177, 4.457) [0.7593, 0.4026, 0.2194]\n", + " PeriodicSite: Li (13.93, 6.23, 19.2) [0.6857, 0.3067, 0.9451]\n", + " PeriodicSite: Li (0.1849, 17.33, 6.756) [0.009095, 0.8532, 0.3326]\n", + " PeriodicSite: Li (17.68, 0.8294, 0.9242) [0.8704, 0.04082, 0.04551]\n", + " PeriodicSite: Li (3.245, 9.871, 4.109) [0.1598, 0.4859, 0.2023]\n", + " PeriodicSite: Li (9.268, 9.659, 18.09) [0.4563, 0.4755, 0.8907]\n", + " PeriodicSite: Li (7.477, 15.58, 7.938) [0.3681, 0.7671, 0.3908]\n", + " PeriodicSite: Li (6.602, 19.72, 17.13) [0.325, 0.971, 0.8433]\n", + " PeriodicSite: Li (18.45, 6.733, 5.812) [0.9085, 0.3315, 0.2862]\n", + " PeriodicSite: Li (16.59, 11.0, 17.02) [0.8169, 0.5414, 0.8382]\n", + " PeriodicSite: Li (3.05, 15.33, 1.679) [0.1501, 0.7546, 0.08264]\n", + " PeriodicSite: Li (14.92, 2.398, 15.01) [0.7346, 0.118, 0.7391]\n", + " PeriodicSite: Cl (7.919, 12.9, 12.96) [0.3899, 0.6351, 0.6382]\n", + " PeriodicSite: Cl (2.485, 12.19, 17.84) [0.1223, 0.5999, 0.8783]\n", + " PeriodicSite: Cl (12.84, 17.73, 12.69) [0.6321, 0.8727, 0.6247]\n", + " PeriodicSite: Cl (17.89, 7.722, 17.45) [0.881, 0.3802, 0.859]\n", + " PeriodicSite: Cl (7.634, 2.292, 2.659) [0.3758, 0.1128, 0.1309]\n", + " PeriodicSite: Cl (7.454, 7.725, 7.841) [0.3669, 0.3803, 0.386]\n", + " PeriodicSite: Cl (12.92, 12.83, 7.864) [0.6359, 0.6316, 0.3872]\n", + " PeriodicSite: Cl (2.491, 7.986, 3.019) [0.1226, 0.3932, 0.1486]\n", + " PeriodicSite: Cl (2.71, 7.543, 12.72) [0.1334, 0.3714, 0.6264]\n", + " PeriodicSite: Cl (12.85, 12.52, 18.01) [0.6326, 0.6165, 0.8869]\n", + " PeriodicSite: Cl (17.74, 17.42, 17.82) [0.8733, 0.8576, 0.8774]\n", + " PeriodicSite: Cl (2.863, 2.046, 7.162) [0.141, 0.1007, 0.3526]\n", + " PeriodicSite: Cl (12.61, 2.477, 17.73) [0.6209, 0.1219, 0.8729]\n", + " PeriodicSite: Cl (12.66, 7.298, 2.845) [0.6233, 0.3593, 0.1401]\n", + " PeriodicSite: Cl (17.9, 2.603, 12.7) [0.8812, 0.1281, 0.6254]\n", + " PeriodicSite: Cl (7.668, 17.67, 17.62) [0.3775, 0.87, 0.8676]\n", + " PeriodicSite: Cl (20.04, 0.2516, 0.1634) [0.9865, 0.01238, 0.008048]\n", + " PeriodicSite: Cl (20.13, 19.8, 9.974) [0.9909, 0.975, 0.491]\n", + " PeriodicSite: Cl (0.1698, 10.14, 0.2482) [0.008355, 0.4993, 0.01222]\n", + " PeriodicSite: Cl (20.2, 10.14, 10.22) [0.9945, 0.4994, 0.5033]\n", + " PeriodicSite: Cl (10.25, 20.16, 20.24) [0.5045, 0.9924, 0.9965]\n", + " PeriodicSite: Cl (10.18, 0.2768, 10.11) [0.5012, 0.01362, 0.498]\n", + " PeriodicSite: Cl (10.22, 10.37, 20.27) [0.5031, 0.5106, 0.9981]\n", + " PeriodicSite: Cl (10.32, 9.783, 10.15) [0.5079, 0.4816, 0.4998]\n", + " PeriodicSite: Cl (20.22, 5.266, 5.324) [0.9954, 0.2592, 0.2621]\n", + " PeriodicSite: Cl (0.5221, 4.713, 15.15) [0.0257, 0.232, 0.7457]\n", + " PeriodicSite: Cl (19.94, 15.17, 5.335) [0.9815, 0.7466, 0.2626]\n", + " PeriodicSite: Cl (0.08913, 15.28, 15.37) [0.004385, 0.7523, 0.7567]\n", + " PeriodicSite: Cl (10.45, 5.012, 4.95) [0.5144, 0.2468, 0.2437]\n", + " PeriodicSite: Cl (10.06, 5.338, 15.44) [0.4953, 0.2628, 0.7603]\n", + " PeriodicSite: Cl (10.03, 15.79, 4.632) [0.4939, 0.7773, 0.2281]\n", + " PeriodicSite: Cl (9.696, 15.48, 14.92) [0.4773, 0.7621, 0.7343]\n", + " PeriodicSite: S (5.133, 0.3143, 4.711) [0.2527, 0.01547, 0.2319]\n", + " PeriodicSite: S (4.786, 0.0927, 15.09) [0.2356, 0.004563, 0.7431]\n", + " PeriodicSite: S (5.019, 10.1, 5.765) [0.2471, 0.4973, 0.2838]\n", + " PeriodicSite: S (5.104, 10.1, 15.44) [0.2513, 0.4975, 0.7601]\n", + " PeriodicSite: S (14.85, 0.01359, 5.072) [0.7309, 0.0006626, 0.2497]\n", + " PeriodicSite: S (14.98, 0.1304, 15.17) [0.7375, 0.006416, 0.7466]\n", + " PeriodicSite: S (15.54, 10.39, 5.071) [0.7652, 0.5117, 0.2497]\n", + " PeriodicSite: S (15.5, 10.25, 15.07) [0.7632, 0.5048, 0.742]\n", + " PeriodicSite: S (5.034, 5.046, 20.04) [0.2478, 0.2484, 0.9865]\n", + " PeriodicSite: S (5.299, 5.138, 10.63) [0.2609, 0.253, 0.5233]\n", + " PeriodicSite: S (5.164, 15.25, 0.2341) [0.2542, 0.7506, 0.01153]\n", + " PeriodicSite: S (5.131, 15.34, 9.893) [0.2526, 0.7554, 0.487]\n", + " PeriodicSite: S (15.19, 4.637, 0.08073) [0.7476, 0.2283, 0.003979]\n", + " PeriodicSite: S (15.15, 5.341, 10.01) [0.7458, 0.2629, 0.4927]\n", + " PeriodicSite: S (15.38, 15.49, 20.25) [0.7574, 0.7624, 0.9971]\n", + " PeriodicSite: S (15.18, 15.53, 10.11) [0.7471, 0.7645, 0.4978]\n", + " PeriodicSite: S (8.852, 4.156, 8.753) [0.4358, 0.2046, 0.4309]\n", + " PeriodicSite: S (8.74, 4.038, 19.16) [0.4303, 0.1988, 0.9434]\n", + " PeriodicSite: S (9.492, 14.0, 8.13) [0.4673, 0.6892, 0.4002]\n", + " PeriodicSite: S (8.957, 14.25, 19.1) [0.441, 0.7017, 0.9402]\n", + " PeriodicSite: S (18.97, 3.722, 9.115) [0.9337, 0.1833, 0.4487]\n", + " PeriodicSite: S (18.92, 4.347, 18.32) [0.9316, 0.214, 0.9019]\n", + " PeriodicSite: S (19.08, 14.11, 8.846) [0.9391, 0.6949, 0.4355]\n", + " PeriodicSite: S (19.34, 13.97, 19.08) [0.9523, 0.688, 0.9396]\n", + " PeriodicSite: S (3.654, 1.038, 0.8653) [0.1799, 0.05109, 0.0426]\n", + " PeriodicSite: S (3.268, 1.329, 11.05) [0.1609, 0.06542, 0.544]\n", + " PeriodicSite: S (4.041, 11.55, 1.021) [0.1989, 0.5688, 0.05026]\n", + " PeriodicSite: S (4.334, 11.66, 11.88) [0.2134, 0.574, 0.5847]\n", + " PeriodicSite: S (13.91, 1.317, 0.9263) [0.6847, 0.06481, 0.0456]\n", + " PeriodicSite: S (14.26, 1.481, 11.21) [0.7019, 0.07291, 0.552]\n", + " PeriodicSite: S (13.79, 11.06, 0.8631) [0.6789, 0.5445, 0.0425]\n", + " PeriodicSite: S (14.11, 11.42, 11.36) [0.6946, 0.5622, 0.5593]\n", + " PeriodicSite: S (5.928, 1.34, 9.039) [0.2919, 0.06597, 0.445]\n", + " PeriodicSite: S (6.346, 1.396, 19.04) [0.3124, 0.06871, 0.9371]\n", + " PeriodicSite: S (6.731, 11.43, 9.777) [0.3314, 0.5626, 0.4813]\n", + " PeriodicSite: S (6.642, 11.01, 19.59) [0.327, 0.5419, 0.9645]\n", + " PeriodicSite: S (16.73, 1.24, 8.942) [0.8236, 0.06102, 0.4402]\n", + " PeriodicSite: S (16.33, 1.114, 19.02) [0.8038, 0.05483, 0.9363]\n", + " PeriodicSite: S (16.32, 11.09, 8.746) [0.8037, 0.546, 0.4306]\n", + " PeriodicSite: S (16.85, 10.66, 19.52) [0.8296, 0.525, 0.9612]\n", + " PeriodicSite: S (0.7218, 4.049, 0.7148) [0.03553, 0.1993, 0.03519]\n", + " PeriodicSite: S (1.092, 3.583, 11.39) [0.05378, 0.1764, 0.5606]\n", + " PeriodicSite: S (1.058, 13.68, 1.434) [0.05209, 0.6735, 0.07059]\n", + " PeriodicSite: S (1.405, 13.78, 11.21) [0.06917, 0.6782, 0.5517]\n", + " PeriodicSite: S (11.23, 3.65, 1.502) [0.5526, 0.1797, 0.07393]\n", + " PeriodicSite: S (11.22, 3.582, 11.06) [0.5524, 0.1764, 0.5446]\n", + " PeriodicSite: S (11.4, 14.22, 1.283) [0.5611, 0.6999, 0.06315]\n", + " PeriodicSite: S (11.25, 13.67, 10.98) [0.5541, 0.6732, 0.5406]\n", + " PeriodicSite: S (2.555, 2.425, 17.56) [0.1258, 0.1194, 0.8647]\n", + " PeriodicSite: S (2.748, 12.8, 8.069) [0.1353, 0.63, 0.3973]\n", + " PeriodicSite: S (12.8, 2.492, 7.725) [0.63, 0.1227, 0.3803]\n", + " PeriodicSite: S (8.416, 9.248, 3.672) [0.4143, 0.4553, 0.1808]\n", + " PeriodicSite: S (9.085, 8.932, 14.12) [0.4473, 0.4397, 0.6951]\n", + " PeriodicSite: S (8.909, 19.65, 3.89) [0.4386, 0.9676, 0.1915]\n", + " PeriodicSite: S (8.864, 19.31, 14.07) [0.4364, 0.9504, 0.6926]\n", + " PeriodicSite: S (19.03, 8.711, 4.418) [0.9368, 0.4289, 0.2175]\n", + " PeriodicSite: S (19.18, 8.993, 13.72) [0.9444, 0.4428, 0.6757]\n", + " PeriodicSite: S (19.34, 19.11, 3.078) [0.9519, 0.9406, 0.1516]\n", + " PeriodicSite: S (18.97, 19.06, 14.28) [0.9337, 0.9382, 0.7032]\n", + " PeriodicSite: S (4.035, 6.069, 6.438) [0.1986, 0.2988, 0.317]\n", + " PeriodicSite: S (4.043, 6.148, 16.59) [0.199, 0.3027, 0.817]\n", + " PeriodicSite: S (4.082, 16.9, 6.266) [0.2009, 0.8319, 0.3085]\n", + " PeriodicSite: S (3.83, 16.87, 16.28) [0.1885, 0.8304, 0.8015]\n", + " PeriodicSite: S (14.18, 6.284, 6.136) [0.6979, 0.3094, 0.3021]\n", + " PeriodicSite: S (13.8, 6.617, 16.47) [0.6794, 0.3257, 0.8107]\n", + " PeriodicSite: S (13.4, 16.33, 5.949) [0.6599, 0.8041, 0.2929]\n", + " PeriodicSite: S (14.36, 16.13, 16.71) [0.7067, 0.7941, 0.8225]\n", + " PeriodicSite: S (6.872, 6.518, 4.727) [0.3383, 0.3209, 0.2327]\n", + " PeriodicSite: S (6.329, 6.413, 14.23) [0.3116, 0.3157, 0.7004]\n", + " PeriodicSite: S (5.972, 16.8, 3.856) [0.294, 0.827, 0.1898]\n", + " PeriodicSite: S (6.258, 16.27, 13.98) [0.3081, 0.8011, 0.6885]\n", + " PeriodicSite: S (16.47, 6.188, 3.745) [0.8111, 0.3046, 0.1844]\n", + " PeriodicSite: S (16.32, 6.616, 14.24) [0.8032, 0.3257, 0.7012]\n", + " PeriodicSite: S (15.98, 16.78, 3.752) [0.7868, 0.8261, 0.1847]\n", + " PeriodicSite: S (16.31, 16.35, 14.22) [0.8028, 0.8047, 0.7]\n", + " PeriodicSite: S (1.281, 9.047, 6.702) [0.06307, 0.4454, 0.3299]\n", + " PeriodicSite: S (1.161, 8.626, 16.18) [0.05714, 0.4247, 0.7968]\n", + " PeriodicSite: S (1.093, 19.51, 5.952) [0.0538, 0.9603, 0.293]\n", + " PeriodicSite: S (0.8088, 19.01, 16.65) [0.03981, 0.9358, 0.8198]\n", + " PeriodicSite: S (10.79, 8.662, 6.051) [0.531, 0.4265, 0.2979]\n", + " PeriodicSite: S (11.24, 9.131, 16.73) [0.5535, 0.4495, 0.8234]\n", + " PeriodicSite: S (11.23, 19.08, 6.423) [0.553, 0.9396, 0.3162]\n", + " PeriodicSite: S (11.18, 19.07, 16.44) [0.5505, 0.9386, 0.8092]\n", + " PeriodicSite: S (2.821, 17.89, 2.475) [0.1389, 0.8809, 0.1219]\n", + " PeriodicSite: S (2.541, 17.78, 12.56) [0.1251, 0.8753, 0.6182]\n", + " PeriodicSite: S (12.49, 7.557, 12.87) [0.6151, 0.3721, 0.6338]\n", + " PeriodicSite: S (12.65, 17.75, 2.501) [0.6229, 0.8741, 0.1231]\n", + " PeriodicSite: S (4.349, 4.345, 3.633) [0.2141, 0.2139, 0.1789]\n", + " PeriodicSite: S (3.878, 4.056, 13.99) [0.1909, 0.1997, 0.6886]\n", + " PeriodicSite: S (3.813, 14.12, 4.022) [0.1877, 0.6952, 0.198]\n", + " PeriodicSite: S (3.859, 14.32, 13.97) [0.19, 0.7052, 0.6877]\n", + " PeriodicSite: S (14.11, 3.689, 3.726) [0.6947, 0.1816, 0.1834]\n", + " PeriodicSite: S (13.68, 4.329, 14.04) [0.6737, 0.2131, 0.6912]\n", + " PeriodicSite: S (13.97, 14.23, 3.397) [0.6879, 0.7003, 0.1673]\n", + " PeriodicSite: S (13.73, 14.12, 14.39) [0.6762, 0.6952, 0.7085]\n", + " PeriodicSite: S (8.946, 1.378, 6.31) [0.4404, 0.06783, 0.3107]\n", + " PeriodicSite: S (8.375, 1.02, 16.53) [0.4123, 0.05021, 0.8137]\n", + " PeriodicSite: S (8.794, 11.29, 6.468) [0.433, 0.5557, 0.3184]\n", + " PeriodicSite: S (8.703, 11.12, 16.38) [0.4285, 0.5476, 0.8066]\n", + " PeriodicSite: S (18.71, 1.045, 5.704) [0.9211, 0.05142, 0.2808]\n", + " PeriodicSite: S (18.5, 1.248, 16.41) [0.9109, 0.06144, 0.8081]\n", + " PeriodicSite: S (19.13, 11.53, 6.541) [0.942, 0.5679, 0.322]\n", + " PeriodicSite: S (19.23, 10.96, 16.58) [0.9468, 0.5394, 0.8164]\n", + " PeriodicSite: S (1.089, 1.382, 3.52) [0.05359, 0.06805, 0.1733]\n", + " PeriodicSite: S (0.9614, 0.9558, 14.25) [0.04734, 0.04706, 0.7016]\n", + " PeriodicSite: S (1.071, 11.23, 4.156) [0.05271, 0.5527, 0.2046]\n", + " PeriodicSite: S (1.001, 11.34, 14.05) [0.04926, 0.5581, 0.6918]\n", + " PeriodicSite: S (11.35, 1.319, 3.901) [0.5588, 0.06494, 0.192]\n", + " PeriodicSite: S (11.13, 1.594, 14.74) [0.5477, 0.07847, 0.7255]\n", + " PeriodicSite: S (11.02, 10.98, 3.747) [0.5427, 0.5407, 0.1845]\n", + " PeriodicSite: S (11.41, 11.52, 14.32) [0.5616, 0.5672, 0.7052]\n", + " PeriodicSite: S (6.437, 3.688, 6.442) [0.3169, 0.1816, 0.3171]\n", + " PeriodicSite: S (6.227, 3.533, 16.05) [0.3066, 0.174, 0.7901]\n", + " PeriodicSite: S (6.212, 14.19, 6.428) [0.3058, 0.6987, 0.3165]\n", + " PeriodicSite: S (6.004, 14.4, 16.69) [0.2956, 0.7091, 0.8215]\n", + " PeriodicSite: S (16.66, 3.904, 6.044) [0.8202, 0.1922, 0.2976]\n", + " PeriodicSite: S (16.08, 4.102, 16.45) [0.7914, 0.2019, 0.8101]\n", + " PeriodicSite: S (16.05, 14.39, 6.253) [0.7904, 0.7084, 0.3079]\n", + " PeriodicSite: S (16.5, 13.57, 16.38) [0.8125, 0.668, 0.8065]\n", + " PeriodicSite: S (7.34, 2.064, 12.58) [0.3613, 0.1016, 0.6195]\n", + " PeriodicSite: S (7.717, 13.28, 2.716) [0.3799, 0.654, 0.1337]\n", + " PeriodicSite: S (17.63, 2.596, 2.399) [0.8678, 0.1278, 0.1181]\n", + " PeriodicSite: S (17.44, 12.56, 2.728) [0.8588, 0.6181, 0.1343]\n", + " PeriodicSite: S (17.81, 13.04, 12.68) [0.8766, 0.642, 0.624]\n", + " PeriodicSite: S (3.943, 9.184, 9.806) [0.1941, 0.4522, 0.4828]\n", + " PeriodicSite: S (3.998, 8.766, 19.57) [0.1968, 0.4316, 0.9636]\n", + " PeriodicSite: S (3.555, 19.29, 8.704) [0.175, 0.9499, 0.4285]\n", + " PeriodicSite: S (4.263, 19.03, 18.8) [0.2099, 0.9371, 0.9255]\n", + " PeriodicSite: S (13.75, 9.143, 8.741) [0.6768, 0.4501, 0.4303]\n", + " PeriodicSite: S (14.08, 8.674, 18.87) [0.693, 0.427, 0.9292]\n", + " PeriodicSite: S (14.39, 19.09, 9.115) [0.7085, 0.9397, 0.4487]\n", + " PeriodicSite: S (13.88, 19.08, 18.82) [0.6833, 0.9392, 0.9264]\n", + " PeriodicSite: S (8.771, 6.262, 1.314) [0.4318, 0.3083, 0.06471]\n", + " PeriodicSite: S (8.956, 5.983, 11.7) [0.4409, 0.2946, 0.576]\n", + " PeriodicSite: S (9.155, 16.77, 1.127) [0.4507, 0.8258, 0.05549]\n", + " PeriodicSite: S (9.137, 16.14, 10.62) [0.4498, 0.7945, 0.5228]\n", + " PeriodicSite: S (18.61, 6.389, 0.408) [0.9163, 0.3145, 0.02009]\n", + " PeriodicSite: S (19.15, 6.194, 11.25) [0.9428, 0.3049, 0.5541]\n", + " PeriodicSite: S (18.95, 16.14, 1.245) [0.9331, 0.7946, 0.06128]\n", + " PeriodicSite: S (19.41, 16.17, 11.53) [0.9557, 0.796, 0.5675]\n", + " PeriodicSite: S (1.089, 5.555, 8.537) [0.05361, 0.2735, 0.4203]\n", + " PeriodicSite: S (1.206, 6.444, 18.96) [0.05939, 0.3172, 0.9333]\n", + " PeriodicSite: S (1.065, 16.33, 8.965) [0.05245, 0.804, 0.4414]\n", + " PeriodicSite: S (1.335, 16.65, 19.99) [0.0657, 0.8197, 0.9839]\n", + " PeriodicSite: S (11.12, 6.412, 9.186) [0.5474, 0.3156, 0.4522]\n", + " PeriodicSite: S (11.3, 6.149, 19.55) [0.5564, 0.3027, 0.9624]\n", + " PeriodicSite: S (11.66, 16.34, 8.664) [0.5738, 0.8046, 0.4266]\n", + " PeriodicSite: S (11.55, 16.11, 19.15) [0.5686, 0.7931, 0.9427]\n", + " PeriodicSite: S (6.281, 8.85, 1.65) [0.3092, 0.4357, 0.08121]\n", + " PeriodicSite: S (6.532, 8.931, 12.04) [0.3216, 0.4397, 0.5928]\n", + " PeriodicSite: S (6.265, 19.26, 1.026) [0.3084, 0.9481, 0.05049]\n", + " PeriodicSite: S (5.713, 19.06, 11.36) [0.2812, 0.9381, 0.5593]\n", + " PeriodicSite: S (15.77, 8.44, 1.442) [0.7764, 0.4155, 0.07101]\n", + " PeriodicSite: S (16.24, 8.965, 11.27) [0.7994, 0.4414, 0.5548]\n", + " PeriodicSite: S (16.32, 19.05, 0.9245) [0.8034, 0.9376, 0.04552]\n", + " PeriodicSite: S (16.63, 19.4, 11.41) [0.8189, 0.955, 0.5616]\n", + " PeriodicSite: S (7.719, 7.531, 17.62) [0.38, 0.3708, 0.8677]\n", + " PeriodicSite: S (7.701, 17.82, 7.441) [0.3791, 0.8775, 0.3664]\n", + " PeriodicSite: S (17.9, 7.661, 8.027) [0.8812, 0.3772, 0.3952]\n", + " PeriodicSite: S (17.61, 17.84, 7.214) [0.867, 0.8781, 0.3552]\n", + " PeriodicSite: P (5.053, 0.1056, 20.04) [0.2488, 0.005198, 0.9867]\n", + " PeriodicSite: P (4.742, 0.0436, 10.06) [0.2335, 0.002145, 0.4952]\n", + " PeriodicSite: P (5.146, 9.922, 0.3918) [0.2533, 0.4885, 0.01929]\n", + " PeriodicSite: P (5.48, 10.17, 10.76) [0.2698, 0.5007, 0.5299]\n", + " PeriodicSite: P (15.07, 20.3, 20.12) [0.7419, 0.9994, 0.9906]\n", + " PeriodicSite: P (15.49, 0.2113, 10.17) [0.7628, 0.0104, 0.5007]\n", + " PeriodicSite: P (15.12, 9.74, 20.26) [0.7444, 0.4795, 0.9976]\n", + " PeriodicSite: P (15.06, 10.1, 10.07) [0.7415, 0.4973, 0.4956]\n", + " PeriodicSite: P (5.31, 5.078, 5.223) [0.2614, 0.25, 0.2571]\n", + " PeriodicSite: P (5.139, 5.067, 15.23) [0.253, 0.2495, 0.7497]\n", + " PeriodicSite: P (4.985, 15.48, 5.152) [0.2454, 0.7619, 0.2536]\n", + " PeriodicSite: P (4.905, 15.47, 15.26) [0.2415, 0.7617, 0.7512]\n", + " PeriodicSite: P (15.31, 4.97, 4.891) [0.7539, 0.2447, 0.2408]\n", + " PeriodicSite: P (15.06, 5.415, 15.33) [0.7412, 0.2666, 0.7548]\n", + " PeriodicSite: P (14.93, 15.42, 4.861) [0.7349, 0.7591, 0.2393]\n", + " PeriodicSite: P (15.33, 14.97, 15.41) [0.7549, 0.737, 0.7587]\n", + " PeriodicSite: P (20.22, 0.01911, 4.43) [0.9956, 0.000932, 0.2181]\n", + " PeriodicSite: P (19.96, 20.27, 15.64) [0.9825, 0.9981, 0.7699]\n", + " PeriodicSite: P (20.23, 10.18, 5.548) [0.9961, 0.5013, 0.2732]\n", + " PeriodicSite: P (0.04053, 10.01, 15.12) [0.001995, 0.4927, 0.7445]\n", + " PeriodicSite: P (10.29, 0.04496, 5.192) [0.5065, 0.002209, 0.2556]\n", + " PeriodicSite: P (9.878, 0.08234, 15.56) [0.4863, 0.00405, 0.7662]\n", + " PeriodicSite: P (9.712, 10.06, 5.021) [0.4781, 0.4953, 0.2472]\n", + " PeriodicSite: P (10.12, 10.31, 15.32) [0.4983, 0.5075, 0.7542]\n", + " PeriodicSite: P (20.02, 5.268, 19.72) [0.9856, 0.2593, 0.9708]\n", + " PeriodicSite: P (20.31, 4.79, 10.17) [0.9997, 0.2358, 0.5009]\n", + " PeriodicSite: P (0.05438, 15.11, 0.2141) [0.00267, 0.7437, 0.01054]\n", + " PeriodicSite: P (0.0784, 15.04, 10.17) [0.003855, 0.7405, 0.5008]\n", + " PeriodicSite: P (9.887, 4.891, 0.1542) [0.4868, 0.2408, 0.007596]\n", + " PeriodicSite: P (10.16, 4.996, 10.18) [0.5004, 0.246, 0.501]\n", + " PeriodicSite: P (10.19, 15.32, 0.1376) [0.5017, 0.7544, 0.006776]\n", + " PeriodicSite: P (10.39, 14.97, 9.583) [0.5116, 0.7369, 0.4718],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.744, 6.443, 5.174) [0.08585, 0.3172, 0.2547]\n", + " PeriodicSite: Li (1.89, 3.079, 15.44) [0.09305, 0.1516, 0.7599]\n", + " PeriodicSite: Li (0.6395, 11.2, 8.342) [0.03148, 0.5516, 0.4107]\n", + " PeriodicSite: Li (0.4795, 12.8, 17.36) [0.02361, 0.6302, 0.8548]\n", + " PeriodicSite: Li (15.31, 0.8604, 7.397) [0.7537, 0.04235, 0.3642]\n", + " PeriodicSite: Li (12.18, 3.575, 15.74) [0.5996, 0.176, 0.7747]\n", + " PeriodicSite: Li (16.2, 12.25, 5.274) [0.7976, 0.6033, 0.2596]\n", + " PeriodicSite: Li (17.24, 8.444, 15.56) [0.8488, 0.4157, 0.7661]\n", + " PeriodicSite: Li (6.037, 4.695, 8.342) [0.2972, 0.2312, 0.4107]\n", + " PeriodicSite: Li (2.077, 0.6772, 19.56) [0.1022, 0.03334, 0.9631]\n", + " PeriodicSite: Li (5.331, 7.914, 6.825) [0.2624, 0.3896, 0.336]\n", + " PeriodicSite: Li (6.93, 9.734, 17.06) [0.3411, 0.4792, 0.8397]\n", + " PeriodicSite: Li (12.04, 5.012, 7.285) [0.593, 0.2467, 0.3587]\n", + " PeriodicSite: Li (12.83, 2.906, 0.04344) [0.6318, 0.1431, 0.002142]\n", + " PeriodicSite: Li (12.23, 10.17, 12.26) [0.6019, 0.5007, 0.6034]\n", + " PeriodicSite: Li (9.645, 18.29, 18.4) [0.4748, 0.9003, 0.906]\n", + " PeriodicSite: Li (4.768, 1.976, 6.85) [0.2348, 0.09729, 0.3372]\n", + " PeriodicSite: Li (2.811, 0.3055, 16.45) [0.1384, 0.01504, 0.8101]\n", + " PeriodicSite: Li (4.217, 10.48, 7.71) [0.2076, 0.5159, 0.3796]\n", + " PeriodicSite: Li (7.239, 10.25, 14.31) [0.3564, 0.5046, 0.7043]\n", + " PeriodicSite: Li (12.58, 0.8575, 9.118) [0.6194, 0.04221, 0.4489]\n", + " PeriodicSite: Li (10.4, 2.06, 18.44) [0.5121, 0.1014, 0.9079]\n", + " PeriodicSite: Li (14.04, 14.86, 8.051) [0.6913, 0.7314, 0.3964]\n", + " PeriodicSite: Li (12.9, 10.76, 18.85) [0.6349, 0.5296, 0.9282]\n", + " PeriodicSite: Li (1.127, 4.527, 6.914) [0.0555, 0.2229, 0.3404]\n", + " PeriodicSite: Li (20.22, 1.827, 18.64) [0.9952, 0.08993, 0.9175]\n", + " PeriodicSite: Li (0.3153, 14.24, 7.13) [0.01552, 0.7012, 0.351]\n", + " PeriodicSite: Li (4.375, 13.02, 19.4) [0.2154, 0.6412, 0.955]\n", + " PeriodicSite: Li (13.53, 2.064, 5.672) [0.6659, 0.1016, 0.2793]\n", + " PeriodicSite: Li (13.43, 0.248, 16.71) [0.6613, 0.0122, 0.8228]\n", + " PeriodicSite: Li (10.89, 11.94, 8.778) [0.5361, 0.5877, 0.4321]\n", + " PeriodicSite: Li (15.23, 17.24, 19.27) [0.7499, 0.8489, 0.9485]\n", + " PeriodicSite: Li (7.145, 1.228, 4.675) [0.3518, 0.06047, 0.2301]\n", + " PeriodicSite: Li (1.432, 19.84, 2.062) [0.07051, 0.9768, 0.1015]\n", + " PeriodicSite: Li (3.108, 14.91, 8.68) [0.153, 0.7339, 0.4273]\n", + " PeriodicSite: Li (2.097, 16.73, 15.35) [0.1033, 0.8237, 0.7558]\n", + " PeriodicSite: Li (14.74, 3.941, 7.759) [0.7259, 0.194, 0.382]\n", + " PeriodicSite: Li (14.53, 3.238, 18.53) [0.7154, 0.1594, 0.9122]\n", + " PeriodicSite: Li (17.0, 15.52, 8.323) [0.8368, 0.7639, 0.4098]\n", + " PeriodicSite: Li (10.52, 12.41, 19.4) [0.5177, 0.6108, 0.9549]\n", + " PeriodicSite: Li (5.079, 1.966, 3.264) [0.25, 0.09678, 0.1607]\n", + " PeriodicSite: Li (4.752, 2.046, 17.28) [0.2339, 0.1007, 0.8506]\n", + " PeriodicSite: Li (3.924, 12.67, 5.906) [0.1932, 0.6235, 0.2907]\n", + " PeriodicSite: Li (19.97, 13.62, 3.461) [0.9833, 0.6707, 0.1704]\n", + " PeriodicSite: Li (10.37, 2.506, 8.031) [0.5107, 0.1234, 0.3954]\n", + " PeriodicSite: Li (17.24, 20.19, 17.32) [0.8489, 0.9937, 0.8525]\n", + " PeriodicSite: Li (15.24, 12.11, 3.089) [0.7505, 0.5964, 0.1521]\n", + " PeriodicSite: Li (13.81, 9.173, 16.38) [0.6797, 0.4516, 0.8063]\n", + " PeriodicSite: Li (2.837, 11.02, 16.11) [0.1397, 0.5423, 0.793]\n", + " PeriodicSite: Li (2.606, 11.46, 10.45) [0.1283, 0.5642, 0.5143]\n", + " PeriodicSite: Li (0.286, 17.0, 2.84) [0.01407, 0.8371, 0.1398]\n", + " PeriodicSite: Li (1.767, 20.17, 7.901) [0.08698, 0.9929, 0.389]\n", + " PeriodicSite: Li (12.06, 4.865, 3.138) [0.5937, 0.2395, 0.1545]\n", + " PeriodicSite: Li (11.98, 7.706, 14.73) [0.5897, 0.3794, 0.7252]\n", + " PeriodicSite: Li (11.75, 15.02, 6.616) [0.5783, 0.7396, 0.3257]\n", + " PeriodicSite: Li (13.51, 19.87, 12.89) [0.6653, 0.9781, 0.6345]\n", + " PeriodicSite: Li (3.309, 6.74, 1.115) [0.1629, 0.3318, 0.05488]\n", + " PeriodicSite: Li (3.043, 4.162, 9.736) [0.1498, 0.2049, 0.4793]\n", + " PeriodicSite: Li (6.679, 15.4, 18.64) [0.3288, 0.7584, 0.9178]\n", + " PeriodicSite: Li (4.731, 18.23, 14.4) [0.2329, 0.8976, 0.7092]\n", + " PeriodicSite: Li (14.6, 6.576, 1.913) [0.7189, 0.3238, 0.09417]\n", + " PeriodicSite: Li (10.67, 8.122, 11.62) [0.5255, 0.3999, 0.5722]\n", + " PeriodicSite: Li (12.83, 18.61, 4.837) [0.6317, 0.9161, 0.2382]\n", + " PeriodicSite: Li (11.11, 17.77, 14.19) [0.5471, 0.8749, 0.6987]\n", + " PeriodicSite: Li (2.235, 10.74, 19.62) [0.11, 0.5287, 0.966]\n", + " PeriodicSite: Li (4.076, 6.13, 12.21) [0.2007, 0.3018, 0.6012]\n", + " PeriodicSite: Li (4.953, 17.07, 1.694) [0.2439, 0.8405, 0.0834]\n", + " PeriodicSite: Li (1.868, 18.11, 10.45) [0.09197, 0.8914, 0.5143]\n", + " PeriodicSite: Li (11.72, 8.47, 0.9149) [0.577, 0.417, 0.04504]\n", + " PeriodicSite: Li (11.75, 5.603, 12.98) [0.5782, 0.2758, 0.6392]\n", + " PeriodicSite: Li (12.44, 15.66, 3.222) [0.6126, 0.7708, 0.1586]\n", + " PeriodicSite: Li (14.24, 15.78, 12.5) [0.701, 0.7771, 0.6154]\n", + " PeriodicSite: Li (0.6924, 9.324, 2.553) [0.03408, 0.459, 0.1257]\n", + " PeriodicSite: Li (17.62, 5.409, 9.523) [0.8673, 0.2663, 0.4688]\n", + " PeriodicSite: Li (2.526, 17.56, 4.725) [0.1244, 0.8644, 0.2326]\n", + " PeriodicSite: Li (0.27, 19.59, 12.32) [0.01329, 0.9645, 0.6067]\n", + " PeriodicSite: Li (10.03, 7.022, 3.885) [0.4936, 0.3457, 0.1913]\n", + " PeriodicSite: Li (14.9, 8.886, 13.28) [0.7337, 0.4374, 0.6538]\n", + " PeriodicSite: Li (13.31, 15.27, 0.4923) [0.6553, 0.7517, 0.02424]\n", + " PeriodicSite: Li (10.38, 15.2, 17.16) [0.5109, 0.7483, 0.8446]\n", + " PeriodicSite: Li (6.084, 8.874, 3.841) [0.2995, 0.4369, 0.1891]\n", + " PeriodicSite: Li (20.24, 12.53, 12.73) [0.9963, 0.617, 0.6266]\n", + " PeriodicSite: Li (18.12, 16.19, 5.417) [0.8918, 0.7968, 0.2667]\n", + " PeriodicSite: Li (2.932, 20.27, 13.33) [0.1444, 0.9978, 0.6564]\n", + " PeriodicSite: Li (17.55, 10.8, 3.427) [0.864, 0.5315, 0.1687]\n", + " PeriodicSite: Li (13.43, 6.965, 10.43) [0.6614, 0.3429, 0.5134]\n", + " PeriodicSite: Li (11.9, 18.81, 0.2561) [0.5856, 0.9261, 0.01261]\n", + " PeriodicSite: Li (13.29, 17.44, 10.06) [0.6545, 0.8586, 0.4952]\n", + " PeriodicSite: Li (3.16, 3.669, 19.85) [0.1556, 0.1806, 0.9772]\n", + " PeriodicSite: Li (4.506, 9.115, 13.38) [0.2218, 0.4487, 0.6589]\n", + " PeriodicSite: Li (4.369, 19.41, 2.978) [0.2151, 0.9555, 0.1466]\n", + " PeriodicSite: Li (0.742, 16.26, 12.37) [0.03652, 0.8007, 0.609]\n", + " PeriodicSite: Li (12.97, 9.585, 4.747) [0.6385, 0.4719, 0.2337]\n", + " PeriodicSite: Li (15.11, 6.482, 12.38) [0.7439, 0.3191, 0.6094]\n", + " PeriodicSite: Li (14.92, 17.31, 1.9) [0.7343, 0.8521, 0.09357]\n", + " PeriodicSite: Li (19.98, 3.484, 13.45) [0.9837, 0.1715, 0.6621]\n", + " PeriodicSite: Li (9.716, 2.957, 3.383) [0.4783, 0.1456, 0.1665]\n", + " PeriodicSite: Li (10.21, 1.523, 11.8) [0.5026, 0.07495, 0.5811]\n", + " PeriodicSite: Li (7.064, 11.98, 4.685) [0.3477, 0.5897, 0.2306]\n", + " PeriodicSite: Li (5.401, 12.3, 15.78) [0.2659, 0.6054, 0.7767]\n", + " PeriodicSite: Li (18.85, 3.174, 4.535) [0.9282, 0.1562, 0.2233]\n", + " PeriodicSite: Li (13.18, 3.709, 9.901) [0.6489, 0.1826, 0.4874]\n", + " PeriodicSite: Li (18.95, 11.82, 0.357) [0.9327, 0.5817, 0.01758]\n", + " PeriodicSite: Li (17.75, 10.55, 13.88) [0.874, 0.5191, 0.6834]\n", + " PeriodicSite: Li (5.699, 18.37, 5.838) [0.2805, 0.9045, 0.2874]\n", + " PeriodicSite: Li (8.84, 2.419, 14.8) [0.4352, 0.1191, 0.7285]\n", + " PeriodicSite: Li (6.922, 12.77, 0.1037) [0.3408, 0.6287, 0.005107]\n", + " PeriodicSite: Li (9.655, 14.47, 12.73) [0.4753, 0.7126, 0.6265]\n", + " PeriodicSite: Li (14.31, 19.96, 2.827) [0.7044, 0.9827, 0.1392]\n", + " PeriodicSite: Li (19.59, 1.983, 10.82) [0.9644, 0.09763, 0.5329]\n", + " PeriodicSite: Li (17.44, 14.97, 2.247) [0.8585, 0.7371, 0.1106]\n", + " PeriodicSite: Li (16.84, 14.8, 11.95) [0.8288, 0.7288, 0.5885]\n", + " PeriodicSite: Li (8.276, 5.877, 6.031) [0.4074, 0.2893, 0.2969]\n", + " PeriodicSite: Li (6.844, 0.2351, 13.37) [0.3369, 0.01157, 0.6584]\n", + " PeriodicSite: Li (10.04, 13.07, 2.935) [0.4941, 0.6436, 0.1445]\n", + " PeriodicSite: Li (5.97, 14.01, 12.48) [0.2939, 0.6898, 0.6143]\n", + " PeriodicSite: Li (19.89, 1.872, 1.714) [0.9794, 0.09217, 0.08437]\n", + " PeriodicSite: Li (0.1251, 8.352, 11.98) [0.006157, 0.4112, 0.5899]\n", + " PeriodicSite: Li (16.12, 12.74, 0.4128) [0.7937, 0.6272, 0.02033]\n", + " PeriodicSite: Li (15.38, 11.98, 13.18) [0.757, 0.59, 0.6488]\n", + " PeriodicSite: Li (2.43, 1.296, 5.452) [0.1196, 0.06379, 0.2684]\n", + " PeriodicSite: Li (5.515, 2.29, 14.61) [0.2715, 0.1128, 0.7194]\n", + " PeriodicSite: Li (5.438, 13.58, 2.258) [0.2677, 0.6687, 0.1112]\n", + " PeriodicSite: Li (8.585, 7.133, 15.61) [0.4226, 0.3512, 0.7687]\n", + " PeriodicSite: Li (18.0, 4.859, 2.122) [0.8864, 0.2392, 0.1045]\n", + " PeriodicSite: Li (17.46, 0.4151, 14.12) [0.8596, 0.02043, 0.6952]\n", + " PeriodicSite: Li (14.38, 14.63, 18.22) [0.7079, 0.7202, 0.8971]\n", + " PeriodicSite: Li (17.44, 12.44, 10.59) [0.8588, 0.6122, 0.5214]\n", + " PeriodicSite: Li (6.601, 3.266, 0.4143) [0.325, 0.1608, 0.0204]\n", + " PeriodicSite: Li (5.617, 2.918, 11.53) [0.2766, 0.1437, 0.5677]\n", + " PeriodicSite: Li (8.387, 10.13, 1.567) [0.4129, 0.4987, 0.07716]\n", + " PeriodicSite: Li (8.167, 10.99, 11.43) [0.402, 0.5409, 0.5628]\n", + " PeriodicSite: Li (16.6, 1.754, 4.443) [0.8171, 0.08632, 0.2187]\n", + " PeriodicSite: Li (16.32, 3.053, 10.97) [0.8036, 0.1503, 0.5403]\n", + " PeriodicSite: Li (0.007643, 8.78, 18.08) [0.0003772, 0.4323, 0.8901]\n", + " PeriodicSite: Li (18.47, 14.2, 14.97) [0.9092, 0.699, 0.7369]\n", + " PeriodicSite: Li (8.743, 0.1563, 1.436) [0.4304, 0.007691, 0.07071]\n", + " PeriodicSite: Li (7.87, 2.303, 10.23) [0.3874, 0.1134, 0.5038]\n", + " PeriodicSite: Li (8.173, 14.34, 4.375) [0.4023, 0.7062, 0.2154]\n", + " PeriodicSite: Li (4.053, 16.91, 11.71) [0.1995, 0.8324, 0.5765]\n", + " PeriodicSite: Li (15.38, 3.087, 1.66) [0.7572, 0.1519, 0.08172]\n", + " PeriodicSite: Li (2.059, 7.206, 15.01) [0.1014, 0.3548, 0.7391]\n", + " PeriodicSite: Li (5.018, 13.17, 9.122) [0.2471, 0.6482, 0.4491]\n", + " PeriodicSite: Li (13.91, 13.4, 10.34) [0.6847, 0.6599, 0.5088]\n", + " PeriodicSite: Li (14.39, 10.7, 7.181) [0.7082, 0.5269, 0.3536]\n", + " PeriodicSite: Li (5.838, 7.794, 16.06) [0.2874, 0.3837, 0.7909]\n", + " PeriodicSite: Li (6.722, 16.76, 10.91) [0.3309, 0.8253, 0.537]\n", + " PeriodicSite: Li (3.847, 16.84, 19.01) [0.1894, 0.8293, 0.9358]\n", + " PeriodicSite: Li (17.2, 9.584, 6.355) [0.8466, 0.4718, 0.3128]\n", + " PeriodicSite: Li (1.836, 4.845, 17.34) [0.0904, 0.2385, 0.8535]\n", + " PeriodicSite: Li (17.36, 19.05, 5.362) [0.8548, 0.9377, 0.264]\n", + " PeriodicSite: Li (19.82, 17.7, 19.69) [0.9758, 0.8713, 0.9696]\n", + " PeriodicSite: Li (7.163, 10.07, 7.398) [0.3526, 0.4959, 0.3642]\n", + " PeriodicSite: Li (9.569, 5.921, 17.69) [0.4711, 0.2915, 0.8709]\n", + " PeriodicSite: Li (7.293, 20.2, 6.894) [0.359, 0.9943, 0.3394]\n", + " PeriodicSite: Li (8.102, 16.72, 15.66) [0.3989, 0.823, 0.7711]\n", + " PeriodicSite: Li (18.09, 9.407, 9.18) [0.8908, 0.4631, 0.452]\n", + " PeriodicSite: Li (16.94, 4.779, 19.23) [0.8339, 0.2353, 0.9469]\n", + " PeriodicSite: Li (18.17, 19.67, 8.856) [0.8945, 0.9685, 0.436]\n", + " PeriodicSite: Li (19.67, 17.38, 16.11) [0.9682, 0.8557, 0.7932]\n", + " PeriodicSite: Li (6.799, 7.239, 10.37) [0.3347, 0.3564, 0.5107]\n", + " PeriodicSite: Li (6.413, 4.904, 18.34) [0.3157, 0.2414, 0.903]\n", + " PeriodicSite: Li (9.39, 18.17, 8.789) [0.4623, 0.8947, 0.4327]\n", + " PeriodicSite: Li (13.03, 11.88, 15.58) [0.6413, 0.585, 0.7669]\n", + " PeriodicSite: Li (20.02, 7.495, 8.509) [0.9857, 0.369, 0.4189]\n", + " PeriodicSite: Li (19.54, 5.981, 16.85) [0.9622, 0.2945, 0.8294]\n", + " PeriodicSite: Li (16.38, 17.44, 9.836) [0.8063, 0.8585, 0.4842]\n", + " PeriodicSite: Li (17.37, 15.24, 18.78) [0.8553, 0.7501, 0.9244]\n", + " PeriodicSite: Li (10.17, 8.637, 8.312) [0.5008, 0.4252, 0.4092]\n", + " PeriodicSite: Li (6.237, 5.64, 2.148) [0.307, 0.2777, 0.1058]\n", + " PeriodicSite: Li (5.205, 17.15, 8.464) [0.2562, 0.8443, 0.4167]\n", + " PeriodicSite: Li (7.521, 15.28, 1.673) [0.3703, 0.752, 0.08238]\n", + " PeriodicSite: Li (15.49, 7.168, 8.66) [0.7627, 0.3529, 0.4264]\n", + " PeriodicSite: Li (17.87, 8.512, 19.4) [0.8796, 0.419, 0.9552]\n", + " PeriodicSite: Li (15.47, 18.16, 6.623) [0.7615, 0.8942, 0.3261]\n", + " PeriodicSite: Li (15.04, 18.39, 15.23) [0.7404, 0.9055, 0.7497]\n", + " PeriodicSite: Li (6.891, 4.861, 12.38) [0.3393, 0.2393, 0.6093]\n", + " PeriodicSite: Li (5.563, 7.533, 19.5) [0.2739, 0.3709, 0.9601]\n", + " PeriodicSite: Li (9.033, 17.46, 6.09) [0.4447, 0.8595, 0.2998]\n", + " PeriodicSite: Li (10.35, 17.23, 2.807) [0.5097, 0.8485, 0.1382]\n", + " PeriodicSite: Li (15.15, 7.797, 5.078) [0.7457, 0.3839, 0.25]\n", + " PeriodicSite: Li (13.9, 6.35, 18.72) [0.6844, 0.3126, 0.9215]\n", + " PeriodicSite: Li (19.8, 17.37, 7.101) [0.975, 0.8549, 0.3496]\n", + " PeriodicSite: Li (17.53, 0.9375, 0.6904) [0.8632, 0.04615, 0.034]\n", + " PeriodicSite: Li (2.765, 9.682, 5.063) [0.1361, 0.4766, 0.2492]\n", + " PeriodicSite: Li (9.294, 8.796, 18.42) [0.4575, 0.433, 0.9067]\n", + " PeriodicSite: Li (7.353, 15.46, 7.953) [0.362, 0.761, 0.3915]\n", + " PeriodicSite: Li (6.249, 19.67, 16.9) [0.3076, 0.9685, 0.8322]\n", + " PeriodicSite: Li (18.05, 6.255, 5.66) [0.8888, 0.3079, 0.2787]\n", + " PeriodicSite: Li (16.62, 11.61, 16.64) [0.818, 0.5714, 0.819]\n", + " PeriodicSite: Li (2.77, 15.22, 1.472) [0.1364, 0.7492, 0.07247]\n", + " PeriodicSite: Li (15.55, 2.706, 14.78) [0.7656, 0.1332, 0.7277]\n", + " PeriodicSite: Cl (7.799, 12.62, 13.02) [0.3839, 0.6215, 0.6412]\n", + " PeriodicSite: Cl (2.689, 12.32, 17.99) [0.1324, 0.6063, 0.8857]\n", + " PeriodicSite: Cl (12.61, 17.53, 12.4) [0.6208, 0.8629, 0.6107]\n", + " PeriodicSite: Cl (18.29, 7.641, 17.38) [0.9002, 0.3762, 0.8554]\n", + " PeriodicSite: Cl (7.51, 2.401, 2.337) [0.3697, 0.1182, 0.1151]\n", + " PeriodicSite: Cl (7.534, 7.769, 8.232) [0.3709, 0.3825, 0.4053]\n", + " PeriodicSite: Cl (13.25, 12.69, 7.841) [0.6521, 0.6247, 0.386]\n", + " PeriodicSite: Cl (2.434, 7.677, 3.29) [0.1198, 0.378, 0.1619]\n", + " PeriodicSite: Cl (2.431, 8.008, 12.71) [0.1197, 0.3942, 0.6255]\n", + " PeriodicSite: Cl (12.56, 12.76, 18.17) [0.6186, 0.6281, 0.8946]\n", + " PeriodicSite: Cl (18.19, 17.48, 18.05) [0.8955, 0.8607, 0.8889]\n", + " PeriodicSite: Cl (2.119, 2.533, 7.364) [0.1043, 0.1247, 0.3625]\n", + " PeriodicSite: Cl (12.34, 2.68, 17.99) [0.6077, 0.132, 0.8858]\n", + " PeriodicSite: Cl (12.51, 7.341, 3.113) [0.6159, 0.3614, 0.1532]\n", + " PeriodicSite: Cl (17.97, 2.491, 12.86) [0.8848, 0.1227, 0.6329]\n", + " PeriodicSite: Cl (7.583, 17.65, 17.94) [0.3733, 0.8688, 0.883]\n", + " PeriodicSite: Cl (0.04462, 0.1241, 20.06) [0.002202, 0.006111, 0.9875]\n", + " PeriodicSite: Cl (0.1063, 0.02477, 9.863) [0.005236, 0.00122, 0.4856]\n", + " PeriodicSite: Cl (0.1418, 10.08, 20.29) [0.006982, 0.4965, 0.9987]\n", + " PeriodicSite: Cl (20.25, 9.924, 10.44) [0.997, 0.4886, 0.5142]\n", + " PeriodicSite: Cl (10.19, 0.08683, 19.87) [0.5015, 0.004272, 0.9783]\n", + " PeriodicSite: Cl (9.977, 0.5732, 9.728) [0.4912, 0.02822, 0.4789]\n", + " PeriodicSite: Cl (10.13, 10.3, 20.26) [0.4985, 0.507, 0.9975]\n", + " PeriodicSite: Cl (10.2, 10.06, 10.62) [0.5023, 0.4952, 0.523]\n", + " PeriodicSite: Cl (20.01, 5.151, 5.233) [0.9851, 0.2536, 0.2576]\n", + " PeriodicSite: Cl (0.7313, 5.364, 14.96) [0.03601, 0.2641, 0.7364]\n", + " PeriodicSite: Cl (20.25, 15.56, 5.19) [0.997, 0.7659, 0.2555]\n", + " PeriodicSite: Cl (0.0687, 15.11, 15.63) [0.003379, 0.7438, 0.7696]\n", + " PeriodicSite: Cl (10.31, 4.899, 5.167) [0.5076, 0.2412, 0.2544]\n", + " PeriodicSite: Cl (10.64, 5.53, 15.34) [0.5238, 0.2722, 0.7554]\n", + " PeriodicSite: Cl (9.928, 15.51, 4.811) [0.4888, 0.7637, 0.2369]\n", + " PeriodicSite: Cl (9.875, 15.62, 15.03) [0.4862, 0.769, 0.74]\n", + " PeriodicSite: S (4.969, 0.2921, 5.087) [0.2446, 0.01438, 0.2505]\n", + " PeriodicSite: S (5.0, 0.1834, 15.11) [0.2461, 0.00903, 0.7437]\n", + " PeriodicSite: S (5.189, 10.32, 5.683) [0.2555, 0.5082, 0.2798]\n", + " PeriodicSite: S (5.299, 10.07, 15.42) [0.2609, 0.4958, 0.7592]\n", + " PeriodicSite: S (15.13, 20.22, 5.398) [0.7449, 0.9952, 0.2657]\n", + " PeriodicSite: S (15.27, 0.2467, 15.27) [0.7516, 0.01214, 0.7517]\n", + " PeriodicSite: S (15.13, 10.29, 5.028) [0.7447, 0.5065, 0.2475]\n", + " PeriodicSite: S (15.57, 10.29, 14.99) [0.7667, 0.5064, 0.7382]\n", + " PeriodicSite: S (4.958, 5.274, 0.1474) [0.2441, 0.2596, 0.007258]\n", + " PeriodicSite: S (5.424, 5.109, 10.43) [0.267, 0.2515, 0.5133]\n", + " PeriodicSite: S (5.115, 15.01, 0.2297) [0.2518, 0.739, 0.01131]\n", + " PeriodicSite: S (5.1, 15.37, 10.29) [0.2511, 0.7566, 0.5065]\n", + " PeriodicSite: S (14.63, 4.732, 20.24) [0.7202, 0.233, 0.9966]\n", + " PeriodicSite: S (15.32, 5.026, 10.08) [0.7543, 0.2474, 0.4964]\n", + " PeriodicSite: S (15.41, 15.16, 0.03801) [0.7585, 0.7461, 0.001877]\n", + " PeriodicSite: S (15.21, 15.34, 10.26) [0.749, 0.7554, 0.5053]\n", + " PeriodicSite: S (8.911, 4.048, 8.985) [0.4387, 0.1993, 0.4423]\n", + " PeriodicSite: S (8.726, 3.935, 19.28) [0.4296, 0.1937, 0.9489]\n", + " PeriodicSite: S (9.514, 14.31, 8.106) [0.4684, 0.7045, 0.3991]\n", + " PeriodicSite: S (9.148, 14.16, 18.93) [0.4504, 0.6971, 0.932]\n", + " PeriodicSite: S (18.87, 3.462, 8.916) [0.9289, 0.1704, 0.439]\n", + " PeriodicSite: S (19.3, 4.101, 18.26) [0.9499, 0.2019, 0.8992]\n", + " PeriodicSite: S (18.83, 14.0, 9.008) [0.9272, 0.6894, 0.4435]\n", + " PeriodicSite: S (19.25, 13.85, 19.21) [0.9478, 0.6818, 0.9458]\n", + " PeriodicSite: S (3.692, 0.9162, 1.263) [0.1818, 0.04511, 0.06219]\n", + " PeriodicSite: S (3.514, 1.199, 11.14) [0.173, 0.05903, 0.5484]\n", + " PeriodicSite: S (4.016, 11.5, 1.334) [0.1977, 0.5663, 0.06569]\n", + " PeriodicSite: S (4.462, 12.01, 11.75) [0.2197, 0.5913, 0.5787]\n", + " PeriodicSite: S (13.75, 0.9495, 1.059) [0.677, 0.04674, 0.05212]\n", + " PeriodicSite: S (14.2, 1.375, 11.44) [0.6989, 0.06767, 0.5632]\n", + " PeriodicSite: S (14.21, 11.41, 0.8828) [0.6996, 0.5618, 0.04347]\n", + " PeriodicSite: S (14.09, 11.31, 11.3) [0.6935, 0.5567, 0.5561]\n", + " PeriodicSite: S (6.015, 1.221, 8.86) [0.2961, 0.06013, 0.4362]\n", + " PeriodicSite: S (6.008, 1.21, 19.01) [0.2958, 0.05958, 0.9358]\n", + " PeriodicSite: S (6.638, 11.51, 9.321) [0.3268, 0.5666, 0.4589]\n", + " PeriodicSite: S (6.057, 11.29, 18.96) [0.2982, 0.5557, 0.9334]\n", + " PeriodicSite: S (16.85, 1.276, 9.33) [0.8296, 0.06279, 0.4593]\n", + " PeriodicSite: S (16.15, 1.466, 19.12) [0.7951, 0.07215, 0.9413]\n", + " PeriodicSite: S (16.31, 11.19, 8.948) [0.8032, 0.551, 0.4405]\n", + " PeriodicSite: S (16.95, 11.01, 19.13) [0.8344, 0.542, 0.9417]\n", + " PeriodicSite: S (0.8234, 3.691, 0.6295) [0.04054, 0.1817, 0.03099]\n", + " PeriodicSite: S (1.164, 3.463, 11.11) [0.05731, 0.1705, 0.547]\n", + " PeriodicSite: S (0.9435, 13.87, 1.521) [0.04645, 0.6828, 0.07488]\n", + " PeriodicSite: S (0.9508, 14.28, 11.21) [0.04681, 0.7028, 0.5517]\n", + " PeriodicSite: S (10.88, 3.397, 1.339) [0.5358, 0.1672, 0.0659]\n", + " PeriodicSite: S (11.43, 3.722, 11.25) [0.5626, 0.1832, 0.5536]\n", + " PeriodicSite: S (11.38, 14.07, 1.176) [0.56, 0.6929, 0.05791]\n", + " PeriodicSite: S (11.33, 13.59, 10.87) [0.5577, 0.6691, 0.5352]\n", + " PeriodicSite: S (2.337, 2.433, 17.79) [0.1151, 0.1198, 0.8758]\n", + " PeriodicSite: S (2.737, 12.53, 8.069) [0.1348, 0.6167, 0.3972]\n", + " PeriodicSite: S (12.98, 2.7, 7.738) [0.6388, 0.1329, 0.381]\n", + " PeriodicSite: S (8.659, 8.891, 3.783) [0.4263, 0.4377, 0.1862]\n", + " PeriodicSite: S (9.227, 8.773, 14.19) [0.4543, 0.4319, 0.6984]\n", + " PeriodicSite: S (8.774, 19.23, 3.89) [0.4319, 0.9469, 0.1915]\n", + " PeriodicSite: S (8.969, 18.96, 13.87) [0.4416, 0.9335, 0.6829]\n", + " PeriodicSite: S (19.07, 8.979, 4.274) [0.9389, 0.442, 0.2104]\n", + " PeriodicSite: S (19.24, 8.617, 14.19) [0.9471, 0.4242, 0.6984]\n", + " PeriodicSite: S (18.86, 18.92, 3.457) [0.9285, 0.9316, 0.1702]\n", + " PeriodicSite: S (18.95, 19.07, 14.12) [0.9327, 0.9389, 0.6952]\n", + " PeriodicSite: S (3.977, 5.955, 6.676) [0.1958, 0.2932, 0.3287]\n", + " PeriodicSite: S (3.735, 5.98, 16.46) [0.1839, 0.2944, 0.8104]\n", + " PeriodicSite: S (4.06, 16.54, 6.284) [0.1999, 0.8144, 0.3094]\n", + " PeriodicSite: S (4.225, 16.78, 16.23) [0.208, 0.826, 0.7992]\n", + " PeriodicSite: S (14.22, 5.966, 6.328) [0.7001, 0.2937, 0.3115]\n", + " PeriodicSite: S (13.46, 6.689, 16.32) [0.6628, 0.3293, 0.8036]\n", + " PeriodicSite: S (13.62, 16.61, 5.846) [0.6704, 0.8176, 0.2878]\n", + " PeriodicSite: S (13.93, 16.42, 16.6) [0.6859, 0.8082, 0.8175]\n", + " PeriodicSite: S (6.599, 6.588, 4.577) [0.3249, 0.3243, 0.2253]\n", + " PeriodicSite: S (5.89, 6.306, 14.03) [0.29, 0.3104, 0.6906]\n", + " PeriodicSite: S (6.55, 16.65, 3.923) [0.3225, 0.8199, 0.1931]\n", + " PeriodicSite: S (6.278, 16.21, 13.86) [0.3091, 0.7982, 0.6825]\n", + " PeriodicSite: S (16.45, 6.363, 3.771) [0.81, 0.3133, 0.1857]\n", + " PeriodicSite: S (16.14, 6.613, 14.3) [0.7945, 0.3256, 0.7042]\n", + " PeriodicSite: S (16.31, 16.69, 3.856) [0.803, 0.8215, 0.1898]\n", + " PeriodicSite: S (16.08, 16.39, 13.91) [0.7915, 0.8067, 0.6847]\n", + " PeriodicSite: S (1.194, 9.342, 6.849) [0.05877, 0.4599, 0.3372]\n", + " PeriodicSite: S (1.469, 8.992, 16.33) [0.07234, 0.4427, 0.8042]\n", + " PeriodicSite: S (0.9596, 18.97, 5.871) [0.04723, 0.934, 0.289]\n", + " PeriodicSite: S (1.044, 19.04, 16.56) [0.05141, 0.9374, 0.8154]\n", + " PeriodicSite: S (11.0, 8.477, 6.062) [0.5416, 0.4173, 0.2985]\n", + " PeriodicSite: S (11.32, 9.205, 16.85) [0.5575, 0.4532, 0.8294]\n", + " PeriodicSite: S (10.92, 18.96, 6.365) [0.5374, 0.9334, 0.3133]\n", + " PeriodicSite: S (11.14, 19.11, 16.43) [0.5482, 0.9406, 0.8091]\n", + " PeriodicSite: S (2.574, 17.75, 2.451) [0.1267, 0.8739, 0.1207]\n", + " PeriodicSite: S (2.113, 18.06, 13.01) [0.104, 0.8893, 0.6403]\n", + " PeriodicSite: S (12.92, 7.77, 12.51) [0.6359, 0.3825, 0.6161]\n", + " PeriodicSite: S (12.81, 17.79, 2.435) [0.6304, 0.8756, 0.1199]\n", + " PeriodicSite: S (4.32, 4.28, 3.519) [0.2127, 0.2107, 0.1733]\n", + " PeriodicSite: S (3.767, 3.864, 13.78) [0.1854, 0.1903, 0.6784]\n", + " PeriodicSite: S (3.877, 14.47, 3.902) [0.1909, 0.7124, 0.1921]\n", + " PeriodicSite: S (3.866, 13.88, 14.36) [0.1903, 0.6835, 0.7068]\n", + " PeriodicSite: S (14.18, 3.842, 3.721) [0.6979, 0.1891, 0.1832]\n", + " PeriodicSite: S (13.85, 4.288, 14.01) [0.6818, 0.2111, 0.6899]\n", + " PeriodicSite: S (14.04, 14.17, 3.739) [0.6914, 0.6974, 0.1841]\n", + " PeriodicSite: S (14.02, 13.91, 14.08) [0.6901, 0.6847, 0.6934]\n", + " PeriodicSite: S (9.061, 1.311, 6.278) [0.4461, 0.06452, 0.3091]\n", + " PeriodicSite: S (8.671, 0.7766, 16.59) [0.4269, 0.03823, 0.8168]\n", + " PeriodicSite: S (9.013, 11.24, 6.32) [0.4437, 0.5536, 0.3111]\n", + " PeriodicSite: S (8.893, 11.21, 16.39) [0.4378, 0.552, 0.8067]\n", + " PeriodicSite: S (18.69, 0.8216, 5.745) [0.9201, 0.04044, 0.2828]\n", + " PeriodicSite: S (19.08, 1.224, 16.42) [0.9395, 0.06026, 0.8084]\n", + " PeriodicSite: S (18.96, 11.36, 6.73) [0.9333, 0.5592, 0.3313]\n", + " PeriodicSite: S (19.14, 11.1, 16.49) [0.9423, 0.5462, 0.8116]\n", + " PeriodicSite: S (1.047, 1.309, 3.537) [0.05153, 0.06445, 0.1741]\n", + " PeriodicSite: S (1.025, 1.098, 13.98) [0.05047, 0.05404, 0.6882]\n", + " PeriodicSite: S (1.06, 11.34, 4.195) [0.05217, 0.5584, 0.2065]\n", + " PeriodicSite: S (1.181, 11.23, 14.2) [0.05812, 0.5526, 0.6989]\n", + " PeriodicSite: S (11.35, 0.9145, 3.81) [0.559, 0.04502, 0.1876]\n", + " PeriodicSite: S (10.95, 1.266, 14.15) [0.5389, 0.0623, 0.6966]\n", + " PeriodicSite: S (11.15, 11.3, 4.122) [0.549, 0.5564, 0.2029]\n", + " PeriodicSite: S (11.27, 11.3, 14.08) [0.5548, 0.5561, 0.6931]\n", + " PeriodicSite: S (6.534, 3.925, 6.2) [0.3217, 0.1932, 0.3053]\n", + " PeriodicSite: S (6.274, 3.82, 16.26) [0.3089, 0.1881, 0.8007]\n", + " PeriodicSite: S (6.442, 14.1, 6.143) [0.3171, 0.6941, 0.3024]\n", + " PeriodicSite: S (6.189, 14.15, 16.8) [0.3047, 0.6967, 0.827]\n", + " PeriodicSite: S (16.61, 3.832, 5.95) [0.8177, 0.1886, 0.2929]\n", + " PeriodicSite: S (15.79, 4.261, 16.77) [0.7774, 0.2098, 0.8257]\n", + " PeriodicSite: S (16.24, 14.36, 6.236) [0.7993, 0.7069, 0.307]\n", + " PeriodicSite: S (16.4, 14.23, 16.65) [0.8074, 0.7007, 0.8198]\n", + " PeriodicSite: S (7.49, 2.459, 12.73) [0.3687, 0.1211, 0.6269]\n", + " PeriodicSite: S (7.605, 12.93, 2.426) [0.3744, 0.6366, 0.1194]\n", + " PeriodicSite: S (17.64, 2.645, 2.389) [0.8686, 0.1302, 0.1176]\n", + " PeriodicSite: S (17.5, 12.82, 2.766) [0.8617, 0.6309, 0.1362]\n", + " PeriodicSite: S (17.67, 12.65, 12.83) [0.8701, 0.6226, 0.6316]\n", + " PeriodicSite: S (4.048, 9.463, 9.673) [0.1993, 0.4659, 0.4762]\n", + " PeriodicSite: S (3.739, 8.802, 19.52) [0.1841, 0.4333, 0.9611]\n", + " PeriodicSite: S (3.756, 19.0, 8.78) [0.1849, 0.9353, 0.4323]\n", + " PeriodicSite: S (3.787, 19.22, 19.06) [0.1865, 0.9462, 0.9382]\n", + " PeriodicSite: S (13.82, 9.019, 8.785) [0.6803, 0.444, 0.4325]\n", + " PeriodicSite: S (14.29, 9.079, 18.76) [0.7037, 0.447, 0.9238]\n", + " PeriodicSite: S (14.33, 19.36, 9.053) [0.7053, 0.9529, 0.4457]\n", + " PeriodicSite: S (13.68, 19.21, 18.78) [0.6736, 0.9457, 0.9245]\n", + " PeriodicSite: S (8.769, 5.975, 1.984) [0.4317, 0.2942, 0.09766]\n", + " PeriodicSite: S (9.257, 6.055, 11.8) [0.4557, 0.2981, 0.581]\n", + " PeriodicSite: S (9.122, 16.88, 0.9133) [0.4491, 0.8308, 0.04497]\n", + " PeriodicSite: S (9.094, 16.25, 10.82) [0.4477, 0.8001, 0.5326]\n", + " PeriodicSite: S (18.68, 6.339, 0.4327) [0.9198, 0.3121, 0.02131]\n", + " PeriodicSite: S (19.3, 6.092, 10.89) [0.95, 0.2999, 0.5362]\n", + " PeriodicSite: S (18.89, 16.37, 1.029) [0.9297, 0.8057, 0.05065]\n", + " PeriodicSite: S (19.11, 16.8, 10.99) [0.9408, 0.8269, 0.5411]\n", + " PeriodicSite: S (1.402, 5.729, 8.844) [0.069, 0.282, 0.4354]\n", + " PeriodicSite: S (1.159, 6.461, 19.01) [0.05707, 0.3181, 0.9359]\n", + " PeriodicSite: S (0.9129, 16.19, 8.561) [0.04494, 0.7973, 0.4214]\n", + " PeriodicSite: S (1.258, 16.12, 19.2) [0.06193, 0.7935, 0.9453]\n", + " PeriodicSite: S (11.52, 6.187, 9.296) [0.5674, 0.3046, 0.4577]\n", + " PeriodicSite: S (11.06, 6.338, 19.75) [0.5445, 0.312, 0.9725]\n", + " PeriodicSite: S (11.71, 16.41, 8.824) [0.5767, 0.8078, 0.4344]\n", + " PeriodicSite: S (11.55, 16.53, 19.07) [0.5685, 0.8138, 0.939]\n", + " PeriodicSite: S (6.394, 9.0, 1.173) [0.3148, 0.4431, 0.05775]\n", + " PeriodicSite: S (6.46, 9.501, 12.09) [0.318, 0.4677, 0.5953]\n", + " PeriodicSite: S (6.084, 19.11, 1.203) [0.2995, 0.9406, 0.05923]\n", + " PeriodicSite: S (5.745, 18.96, 11.56) [0.2828, 0.9335, 0.5692]\n", + " PeriodicSite: S (16.38, 8.619, 0.9414) [0.8062, 0.4243, 0.04635]\n", + " PeriodicSite: S (16.29, 8.611, 11.23) [0.8019, 0.4239, 0.5527]\n", + " PeriodicSite: S (16.2, 19.11, 0.5531) [0.7975, 0.9406, 0.02724]\n", + " PeriodicSite: S (16.73, 19.21, 11.56) [0.8239, 0.9458, 0.5692]\n", + " PeriodicSite: S (7.316, 7.485, 17.72) [0.3602, 0.3685, 0.8725]\n", + " PeriodicSite: S (7.304, 17.83, 7.697) [0.3596, 0.8776, 0.3789]\n", + " PeriodicSite: S (17.66, 7.506, 7.599) [0.8693, 0.3695, 0.3741]\n", + " PeriodicSite: S (17.43, 17.67, 7.628) [0.8582, 0.8698, 0.3756]\n", + " PeriodicSite: P (5.002, 20.3, 20.19) [0.2463, 0.9992, 0.9938]\n", + " PeriodicSite: P (4.681, 20.19, 10.18) [0.2304, 0.9939, 0.5013]\n", + " PeriodicSite: P (5.046, 10.25, 0.09582) [0.2484, 0.5045, 0.00472]\n", + " PeriodicSite: P (5.347, 10.64, 10.69) [0.2632, 0.5239, 0.5262]\n", + " PeriodicSite: P (14.92, 20.28, 19.96) [0.7345, 0.9986, 0.9827]\n", + " PeriodicSite: P (15.5, 0.1213, 10.39) [0.7629, 0.005965, 0.5116]\n", + " PeriodicSite: P (15.46, 10.07, 20.25) [0.7614, 0.496, 0.9971]\n", + " PeriodicSite: P (15.15, 9.97, 10.06) [0.7457, 0.4908, 0.4951]\n", + " PeriodicSite: P (5.23, 5.113, 5.147) [0.2575, 0.2517, 0.2534]\n", + " PeriodicSite: P (4.833, 4.936, 15.18) [0.2379, 0.243, 0.7474]\n", + " PeriodicSite: P (5.34, 15.38, 4.998) [0.2629, 0.757, 0.2461]\n", + " PeriodicSite: P (5.226, 15.22, 15.3) [0.2573, 0.7492, 0.7533]\n", + " PeriodicSite: P (15.31, 4.947, 4.924) [0.7535, 0.2435, 0.2424]\n", + " PeriodicSite: P (14.82, 5.497, 15.36) [0.7294, 0.2706, 0.7562]\n", + " PeriodicSite: P (15.04, 15.45, 4.963) [0.7404, 0.7604, 0.2443]\n", + " PeriodicSite: P (15.07, 15.21, 15.34) [0.742, 0.7488, 0.7553]\n", + " PeriodicSite: P (20.02, 20.18, 4.593) [0.9857, 0.9935, 0.2261]\n", + " PeriodicSite: P (20.16, 20.31, 15.27) [0.9924, 0.9999, 0.7516]\n", + " PeriodicSite: P (20.2, 10.26, 5.457) [0.9946, 0.5049, 0.2686]\n", + " PeriodicSite: P (0.01947, 9.939, 15.29) [0.0009584, 0.4893, 0.7529]\n", + " PeriodicSite: P (10.06, 0.007312, 5.099) [0.4954, 0.0003558, 0.251]\n", + " PeriodicSite: P (9.874, 20.17, 15.19) [0.4861, 0.9932, 0.7476]\n", + " PeriodicSite: P (9.917, 10.01, 5.069) [0.4882, 0.4926, 0.2496]\n", + " PeriodicSite: P (10.27, 10.13, 15.34) [0.5054, 0.4987, 0.7554]\n", + " PeriodicSite: P (20.13, 5.187, 19.85) [0.9913, 0.2553, 0.9773]\n", + " PeriodicSite: P (0.01927, 4.654, 9.951) [0.0009491, 0.2291, 0.4899]\n", + " PeriodicSite: P (0.05947, 15.04, 0.08644) [0.002921, 0.7403, 0.004257]\n", + " PeriodicSite: P (19.93, 15.28, 10.03) [0.9814, 0.7522, 0.494]\n", + " PeriodicSite: P (9.913, 4.981, 0.5869) [0.488, 0.2452, 0.0289]\n", + " PeriodicSite: P (10.04, 5.061, 10.32) [0.4945, 0.2491, 0.5082]\n", + " PeriodicSite: P (10.24, 15.49, 20.18) [0.5044, 0.7624, 0.9937]\n", + " PeriodicSite: P (10.41, 15.13, 9.77) [0.5123, 0.745, 0.481],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.2, 6.556, 4.911) [0.1083, 0.3228, 0.2418]\n", + " PeriodicSite: Li (3.255, 1.872, 15.39) [0.1602, 0.09216, 0.7576]\n", + " PeriodicSite: Li (0.9691, 11.02, 7.623) [0.04771, 0.5423, 0.3753]\n", + " PeriodicSite: Li (0.6199, 13.79, 17.44) [0.03052, 0.6787, 0.8587]\n", + " PeriodicSite: Li (14.84, 0.7365, 7.009) [0.7307, 0.03625, 0.3451]\n", + " PeriodicSite: Li (11.94, 3.804, 15.62) [0.5877, 0.1873, 0.769]\n", + " PeriodicSite: Li (17.37, 12.49, 5.085) [0.8553, 0.6151, 0.2503]\n", + " PeriodicSite: Li (17.22, 8.796, 15.85) [0.8478, 0.433, 0.7802]\n", + " PeriodicSite: Li (6.101, 5.128, 8.233) [0.3004, 0.2525, 0.4053]\n", + " PeriodicSite: Li (2.157, 1.007, 19.68) [0.1062, 0.04956, 0.9688]\n", + " PeriodicSite: Li (4.733, 7.849, 6.163) [0.233, 0.3864, 0.3034]\n", + " PeriodicSite: Li (6.89, 9.851, 17.25) [0.3392, 0.485, 0.849]\n", + " PeriodicSite: Li (12.16, 4.407, 6.593) [0.5984, 0.217, 0.3246]\n", + " PeriodicSite: Li (12.55, 3.626, 20.1) [0.618, 0.1785, 0.9894]\n", + " PeriodicSite: Li (11.96, 10.02, 12.47) [0.5889, 0.4932, 0.6138]\n", + " PeriodicSite: Li (9.867, 18.46, 18.06) [0.4858, 0.9088, 0.8892]\n", + " PeriodicSite: Li (5.132, 1.799, 6.938) [0.2526, 0.08854, 0.3416]\n", + " PeriodicSite: Li (3.282, 0.005075, 17.14) [0.1616, 0.0002497, 0.8441]\n", + " PeriodicSite: Li (4.253, 10.91, 7.475) [0.2094, 0.5369, 0.368]\n", + " PeriodicSite: Li (7.532, 10.34, 14.22) [0.3708, 0.5092, 0.6999]\n", + " PeriodicSite: Li (12.47, 0.8803, 9.613) [0.6141, 0.04333, 0.4733]\n", + " PeriodicSite: Li (9.009, 1.723, 18.94) [0.4435, 0.08484, 0.9325]\n", + " PeriodicSite: Li (13.68, 14.81, 8.341) [0.6733, 0.729, 0.4106]\n", + " PeriodicSite: Li (12.77, 10.61, 19.14) [0.6284, 0.5221, 0.9424]\n", + " PeriodicSite: Li (0.8342, 3.982, 6.972) [0.04107, 0.196, 0.3432]\n", + " PeriodicSite: Li (0.2699, 2.579, 17.27) [0.01329, 0.127, 0.8503]\n", + " PeriodicSite: Li (0.661, 13.94, 7.12) [0.03254, 0.6864, 0.3505]\n", + " PeriodicSite: Li (3.855, 13.15, 19.97) [0.1898, 0.6473, 0.983]\n", + " PeriodicSite: Li (13.19, 1.641, 5.393) [0.6496, 0.08081, 0.2655]\n", + " PeriodicSite: Li (13.42, 0.6745, 16.89) [0.6605, 0.0332, 0.8316]\n", + " PeriodicSite: Li (10.81, 12.22, 8.877) [0.5324, 0.6015, 0.437]\n", + " PeriodicSite: Li (15.65, 17.57, 18.84) [0.7705, 0.865, 0.9277]\n", + " PeriodicSite: Li (7.07, 0.5924, 4.423) [0.3481, 0.02916, 0.2178]\n", + " PeriodicSite: Li (1.647, 19.52, 1.606) [0.08109, 0.9608, 0.07905]\n", + " PeriodicSite: Li (2.965, 15.03, 9.087) [0.146, 0.7401, 0.4474]\n", + " PeriodicSite: Li (2.214, 16.73, 15.19) [0.109, 0.8235, 0.7478]\n", + " PeriodicSite: Li (15.07, 3.458, 8.13) [0.7421, 0.1702, 0.4003]\n", + " PeriodicSite: Li (14.74, 3.417, 18.3) [0.7258, 0.1682, 0.9009]\n", + " PeriodicSite: Li (17.26, 15.49, 8.388) [0.8499, 0.7624, 0.413]\n", + " PeriodicSite: Li (10.65, 13.03, 19.22) [0.5241, 0.6417, 0.9461]\n", + " PeriodicSite: Li (5.002, 2.167, 3.435) [0.2462, 0.1067, 0.1691]\n", + " PeriodicSite: Li (5.072, 1.991, 17.31) [0.2497, 0.09802, 0.8523]\n", + " PeriodicSite: Li (3.723, 12.68, 6.007) [0.1833, 0.6245, 0.2957]\n", + " PeriodicSite: Li (19.82, 13.05, 3.098) [0.9759, 0.6426, 0.1525]\n", + " PeriodicSite: Li (10.48, 1.668, 7.649) [0.5161, 0.08212, 0.3765]\n", + " PeriodicSite: Li (17.28, 0.06651, 17.13) [0.8509, 0.003268, 0.8435]\n", + " PeriodicSite: Li (15.12, 11.76, 3.224) [0.7442, 0.579, 0.1587]\n", + " PeriodicSite: Li (14.33, 8.937, 16.58) [0.7056, 0.44, 0.8162]\n", + " PeriodicSite: Li (3.111, 10.99, 16.11) [0.1532, 0.541, 0.793]\n", + " PeriodicSite: Li (2.311, 11.2, 10.02) [0.1138, 0.5512, 0.4932]\n", + " PeriodicSite: Li (0.2696, 17.12, 3.008) [0.01327, 0.8426, 0.1481]\n", + " PeriodicSite: Li (1.547, 0.4871, 8.616) [0.07619, 0.02398, 0.4242]\n", + " PeriodicSite: Li (13.15, 5.094, 2.43) [0.6476, 0.2508, 0.1196]\n", + " PeriodicSite: Li (11.12, 7.378, 14.96) [0.5477, 0.3632, 0.7363]\n", + " PeriodicSite: Li (11.19, 14.54, 6.669) [0.551, 0.7159, 0.3283]\n", + " PeriodicSite: Li (13.6, 20.06, 13.58) [0.6694, 0.9878, 0.6686]\n", + " PeriodicSite: Li (3.584, 6.903, 0.6929) [0.1764, 0.3399, 0.03411]\n", + " PeriodicSite: Li (3.118, 4.124, 9.304) [0.1535, 0.203, 0.458]\n", + " PeriodicSite: Li (6.863, 16.03, 18.97) [0.3379, 0.7891, 0.934]\n", + " PeriodicSite: Li (4.601, 18.24, 15.02) [0.2265, 0.8978, 0.7396]\n", + " PeriodicSite: Li (15.37, 6.865, 1.187) [0.7566, 0.338, 0.05845]\n", + " PeriodicSite: Li (10.76, 8.018, 11.35) [0.5295, 0.3947, 0.5587]\n", + " PeriodicSite: Li (13.01, 18.69, 4.305) [0.6404, 0.9201, 0.212]\n", + " PeriodicSite: Li (11.23, 17.43, 13.98) [0.553, 0.858, 0.6882]\n", + " PeriodicSite: Li (1.999, 10.86, 19.66) [0.0984, 0.5344, 0.968]\n", + " PeriodicSite: Li (3.735, 5.921, 12.26) [0.1839, 0.2915, 0.6035]\n", + " PeriodicSite: Li (4.898, 16.9, 1.877) [0.2411, 0.8321, 0.09243]\n", + " PeriodicSite: Li (2.075, 17.55, 10.4) [0.1022, 0.8639, 0.5119]\n", + " PeriodicSite: Li (11.65, 8.382, 0.6383) [0.5736, 0.4127, 0.03143]\n", + " PeriodicSite: Li (12.08, 5.16, 13.11) [0.5946, 0.254, 0.6454]\n", + " PeriodicSite: Li (12.59, 15.34, 3.093) [0.6197, 0.755, 0.1523]\n", + " PeriodicSite: Li (13.99, 15.52, 12.56) [0.689, 0.7641, 0.6184]\n", + " PeriodicSite: Li (0.5792, 9.621, 2.44) [0.02851, 0.4736, 0.1201]\n", + " PeriodicSite: Li (17.63, 5.966, 9.404) [0.8681, 0.2937, 0.463]\n", + " PeriodicSite: Li (2.096, 16.62, 4.928) [0.1032, 0.8184, 0.2426]\n", + " PeriodicSite: Li (0.8671, 19.16, 12.38) [0.04268, 0.9434, 0.6092]\n", + " PeriodicSite: Li (10.6, 7.561, 4.269) [0.5219, 0.3722, 0.2102]\n", + " PeriodicSite: Li (14.74, 8.523, 13.46) [0.7258, 0.4196, 0.6629]\n", + " PeriodicSite: Li (12.91, 16.47, 0.1835) [0.6354, 0.8109, 0.00904]\n", + " PeriodicSite: Li (11.6, 15.43, 16.48) [0.5711, 0.7597, 0.8112]\n", + " PeriodicSite: Li (5.318, 9.516, 3.315) [0.2618, 0.4685, 0.1632]\n", + " PeriodicSite: Li (20.21, 13.13, 13.04) [0.9951, 0.6462, 0.6422]\n", + " PeriodicSite: Li (18.1, 15.93, 5.902) [0.8911, 0.7843, 0.2906]\n", + " PeriodicSite: Li (3.044, 20.0, 13.12) [0.1498, 0.9847, 0.6458]\n", + " PeriodicSite: Li (17.61, 10.23, 3.288) [0.8671, 0.5038, 0.1619]\n", + " PeriodicSite: Li (13.24, 6.62, 10.32) [0.6519, 0.3259, 0.508]\n", + " PeriodicSite: Li (12.33, 19.55, 0.7643) [0.6069, 0.9625, 0.03763]\n", + " PeriodicSite: Li (13.45, 17.2, 10.3) [0.6622, 0.8465, 0.507]\n", + " PeriodicSite: Li (3.352, 4.29, 19.36) [0.165, 0.2112, 0.9532]\n", + " PeriodicSite: Li (4.4, 9.704, 13.08) [0.2166, 0.4777, 0.6441]\n", + " PeriodicSite: Li (3.896, 19.25, 3.338) [0.1918, 0.9479, 0.1643]\n", + " PeriodicSite: Li (0.04591, 16.8, 13.12) [0.002256, 0.8273, 0.6459]\n", + " PeriodicSite: Li (13.46, 9.459, 4.207) [0.6626, 0.4657, 0.2071]\n", + " PeriodicSite: Li (15.15, 5.741, 12.21) [0.7457, 0.2827, 0.6009]\n", + " PeriodicSite: Li (15.1, 16.79, 2.065) [0.7432, 0.8268, 0.1017]\n", + " PeriodicSite: Li (19.57, 4.015, 13.19) [0.9635, 0.1977, 0.6492]\n", + " PeriodicSite: Li (9.582, 2.741, 3.911) [0.4717, 0.135, 0.1926]\n", + " PeriodicSite: Li (9.86, 2.084, 12.14) [0.4854, 0.1026, 0.5976]\n", + " PeriodicSite: Li (7.207, 11.54, 4.754) [0.3548, 0.5682, 0.234]\n", + " PeriodicSite: Li (5.576, 12.47, 15.38) [0.2745, 0.6139, 0.7573]\n", + " PeriodicSite: Li (19.4, 2.435, 4.501) [0.9549, 0.1199, 0.2216]\n", + " PeriodicSite: Li (13.12, 3.867, 9.815) [0.6459, 0.1904, 0.4832]\n", + " PeriodicSite: Li (18.76, 11.45, 0.4301) [0.9235, 0.5636, 0.02118]\n", + " PeriodicSite: Li (17.86, 10.95, 14.06) [0.8794, 0.5392, 0.6922]\n", + " PeriodicSite: Li (5.817, 18.53, 5.597) [0.2864, 0.912, 0.2755]\n", + " PeriodicSite: Li (9.126, 2.933, 14.77) [0.4493, 0.1444, 0.727]\n", + " PeriodicSite: Li (7.332, 13.12, 0.02959) [0.361, 0.6457, 0.00146]\n", + " PeriodicSite: Li (9.681, 13.94, 13.34) [0.4766, 0.6861, 0.6565]\n", + " PeriodicSite: Li (15.43, 19.65, 3.117) [0.7598, 0.9675, 0.1535]\n", + " PeriodicSite: Li (19.15, 2.045, 10.54) [0.9426, 0.1007, 0.5187]\n", + " PeriodicSite: Li (17.44, 15.04, 1.876) [0.8584, 0.7402, 0.09235]\n", + " PeriodicSite: Li (17.13, 15.12, 11.8) [0.8435, 0.7442, 0.5807]\n", + " PeriodicSite: Li (8.168, 5.75, 5.743) [0.4021, 0.2831, 0.2828]\n", + " PeriodicSite: Li (6.991, 20.22, 13.34) [0.3442, 0.9952, 0.6565]\n", + " PeriodicSite: Li (10.21, 12.68, 2.482) [0.5026, 0.6241, 0.1222]\n", + " PeriodicSite: Li (5.68, 13.9, 12.4) [0.2796, 0.6843, 0.6106]\n", + " PeriodicSite: Li (19.99, 2.348, 1.767) [0.9841, 0.1156, 0.08699]\n", + " PeriodicSite: Li (0.2284, 8.447, 12.01) [0.01125, 0.4158, 0.5911]\n", + " PeriodicSite: Li (15.88, 13.01, 0.1962) [0.7819, 0.6405, 0.009666]\n", + " PeriodicSite: Li (15.52, 12.37, 13.25) [0.7643, 0.6091, 0.6525]\n", + " PeriodicSite: Li (2.516, 0.784, 5.385) [0.1239, 0.0386, 0.2651]\n", + " PeriodicSite: Li (6.074, 2.614, 14.48) [0.299, 0.1287, 0.7128]\n", + " PeriodicSite: Li (5.401, 13.14, 2.173) [0.2659, 0.6469, 0.107]\n", + " PeriodicSite: Li (7.734, 6.756, 15.16) [0.3808, 0.3326, 0.7463]\n", + " PeriodicSite: Li (17.92, 4.646, 2.738) [0.8821, 0.2287, 0.1348]\n", + " PeriodicSite: Li (17.11, 20.27, 13.49) [0.8421, 0.9979, 0.6641]\n", + " PeriodicSite: Li (14.37, 14.67, 18.33) [0.7076, 0.7224, 0.9025]\n", + " PeriodicSite: Li (18.42, 12.11, 10.72) [0.9069, 0.5961, 0.5278]\n", + " PeriodicSite: Li (6.508, 3.21, 0.5751) [0.3204, 0.158, 0.02831]\n", + " PeriodicSite: Li (5.067, 3.091, 12.06) [0.2494, 0.1522, 0.5935]\n", + " PeriodicSite: Li (8.32, 10.56, 1.756) [0.4096, 0.5199, 0.08647]\n", + " PeriodicSite: Li (8.119, 11.39, 10.96) [0.3997, 0.5607, 0.5394]\n", + " PeriodicSite: Li (16.54, 1.705, 4.486) [0.8142, 0.08395, 0.2209]\n", + " PeriodicSite: Li (15.57, 3.089, 10.91) [0.7665, 0.1521, 0.5369]\n", + " PeriodicSite: Li (0.2552, 8.488, 18.32) [0.01256, 0.4179, 0.9019]\n", + " PeriodicSite: Li (17.79, 14.42, 14.68) [0.8756, 0.7098, 0.7226]\n", + " PeriodicSite: Li (8.001, 0.1805, 1.117) [0.3939, 0.008882, 0.055]\n", + " PeriodicSite: Li (7.934, 2.022, 10.1) [0.3906, 0.09954, 0.4973]\n", + " PeriodicSite: Li (8.331, 14.42, 4.122) [0.4101, 0.7098, 0.2029]\n", + " PeriodicSite: Li (4.404, 16.59, 11.85) [0.2168, 0.8167, 0.5836]\n", + " PeriodicSite: Li (15.41, 2.902, 1.5) [0.7586, 0.1429, 0.07385]\n", + " PeriodicSite: Li (1.472, 7.184, 15.16) [0.07245, 0.3537, 0.7464]\n", + " PeriodicSite: Li (4.626, 13.22, 9.081) [0.2277, 0.6506, 0.4471]\n", + " PeriodicSite: Li (13.6, 13.27, 10.39) [0.6695, 0.6531, 0.5113]\n", + " PeriodicSite: Li (14.63, 11.06, 7.053) [0.7203, 0.5447, 0.3473]\n", + " PeriodicSite: Li (5.447, 7.909, 16.82) [0.2682, 0.3894, 0.8279]\n", + " PeriodicSite: Li (7.03, 17.17, 10.15) [0.3461, 0.8455, 0.4996]\n", + " PeriodicSite: Li (3.781, 15.63, 18.71) [0.1861, 0.7695, 0.9214]\n", + " PeriodicSite: Li (17.6, 9.57, 6.386) [0.8666, 0.4711, 0.3144]\n", + " PeriodicSite: Li (1.813, 4.552, 16.94) [0.08925, 0.2241, 0.8337]\n", + " PeriodicSite: Li (17.11, 19.04, 5.581) [0.8426, 0.9374, 0.2747]\n", + " PeriodicSite: Li (20.23, 18.14, 19.02) [0.9961, 0.8931, 0.9363]\n", + " PeriodicSite: Li (7.077, 9.961, 7.16) [0.3484, 0.4904, 0.3525]\n", + " PeriodicSite: Li (9.237, 5.878, 17.68) [0.4547, 0.2894, 0.8703]\n", + " PeriodicSite: Li (7.659, 19.99, 7.574) [0.3771, 0.9841, 0.3729]\n", + " PeriodicSite: Li (8.103, 16.86, 15.47) [0.3989, 0.83, 0.7614]\n", + " PeriodicSite: Li (17.82, 9.162, 9.387) [0.8772, 0.4511, 0.4622]\n", + " PeriodicSite: Li (17.03, 5.44, 19.19) [0.8382, 0.2678, 0.9447]\n", + " PeriodicSite: Li (18.16, 19.45, 9.186) [0.8938, 0.9576, 0.4522]\n", + " PeriodicSite: Li (19.28, 17.42, 16.21) [0.949, 0.8574, 0.798]\n", + " PeriodicSite: Li (6.497, 7.161, 10.27) [0.3199, 0.3525, 0.5054]\n", + " PeriodicSite: Li (6.78, 5.308, 18.61) [0.3338, 0.2613, 0.9164]\n", + " PeriodicSite: Li (9.646, 18.4, 9.799) [0.4749, 0.9059, 0.4824]\n", + " PeriodicSite: Li (13.2, 11.5, 15.77) [0.6498, 0.566, 0.7762]\n", + " PeriodicSite: Li (20.03, 7.98, 8.747) [0.986, 0.3928, 0.4307]\n", + " PeriodicSite: Li (19.05, 6.055, 16.8) [0.938, 0.2981, 0.8273]\n", + " PeriodicSite: Li (16.27, 17.45, 10.12) [0.8008, 0.859, 0.498]\n", + " PeriodicSite: Li (17.71, 15.93, 19.34) [0.872, 0.7842, 0.9523]\n", + " PeriodicSite: Li (10.01, 8.398, 8.435) [0.4928, 0.4135, 0.4153]\n", + " PeriodicSite: Li (5.989, 5.425, 2.345) [0.2948, 0.2671, 0.1154]\n", + " PeriodicSite: Li (5.169, 17.45, 8.294) [0.2545, 0.8589, 0.4083]\n", + " PeriodicSite: Li (6.944, 15.26, 1.929) [0.3418, 0.7513, 0.09498]\n", + " PeriodicSite: Li (15.01, 6.892, 8.522) [0.7389, 0.3393, 0.4195]\n", + " PeriodicSite: Li (18.36, 8.005, 0.2404) [0.9036, 0.3941, 0.01184]\n", + " PeriodicSite: Li (15.16, 18.38, 6.907) [0.7464, 0.9047, 0.34]\n", + " PeriodicSite: Li (15.03, 18.23, 15.58) [0.7401, 0.8973, 0.7671]\n", + " PeriodicSite: Li (7.215, 4.423, 11.29) [0.3552, 0.2177, 0.5559]\n", + " PeriodicSite: Li (6.334, 7.432, 19.59) [0.3119, 0.3659, 0.9645]\n", + " PeriodicSite: Li (8.773, 17.43, 6.105) [0.4319, 0.8582, 0.3006]\n", + " PeriodicSite: Li (10.51, 17.31, 2.574) [0.5176, 0.8523, 0.1267]\n", + " PeriodicSite: Li (15.71, 7.429, 6.097) [0.7735, 0.3657, 0.3002]\n", + " PeriodicSite: Li (13.21, 6.406, 19.0) [0.6504, 0.3154, 0.9352]\n", + " PeriodicSite: Li (19.75, 17.71, 7.418) [0.9723, 0.8719, 0.3652]\n", + " PeriodicSite: Li (18.16, 0.6381, 0.7745) [0.8938, 0.03141, 0.03813]\n", + " PeriodicSite: Li (2.904, 9.676, 4.673) [0.143, 0.4764, 0.23]\n", + " PeriodicSite: Li (9.54, 8.947, 17.87) [0.4697, 0.4405, 0.8795]\n", + " PeriodicSite: Li (6.742, 14.97, 8.081) [0.3319, 0.7372, 0.3978]\n", + " PeriodicSite: Li (6.567, 20.03, 17.01) [0.3233, 0.9863, 0.8376]\n", + " PeriodicSite: Li (18.27, 5.779, 6.09) [0.8996, 0.2845, 0.2998]\n", + " PeriodicSite: Li (16.58, 11.61, 16.78) [0.8161, 0.5715, 0.826]\n", + " PeriodicSite: Li (2.461, 15.96, 1.163) [0.1212, 0.7855, 0.05724]\n", + " PeriodicSite: Li (15.68, 2.364, 15.12) [0.772, 0.1164, 0.7442]\n", + " PeriodicSite: Cl (7.628, 12.68, 12.88) [0.3755, 0.6243, 0.6342]\n", + " PeriodicSite: Cl (2.275, 12.58, 17.94) [0.112, 0.6193, 0.883]\n", + " PeriodicSite: Cl (12.85, 18.12, 12.7) [0.6325, 0.8921, 0.6252]\n", + " PeriodicSite: Cl (18.25, 7.954, 18.11) [0.8985, 0.3916, 0.8915]\n", + " PeriodicSite: Cl (7.343, 1.975, 2.462) [0.3615, 0.09721, 0.1212]\n", + " PeriodicSite: Cl (7.648, 7.756, 8.16) [0.3765, 0.3819, 0.4017]\n", + " PeriodicSite: Cl (12.77, 13.09, 7.713) [0.6288, 0.6444, 0.3797]\n", + " PeriodicSite: Cl (2.49, 8.28, 2.875) [0.1226, 0.4076, 0.1415]\n", + " PeriodicSite: Cl (2.747, 7.867, 12.89) [0.1353, 0.3873, 0.6345]\n", + " PeriodicSite: Cl (12.39, 13.28, 17.44) [0.61, 0.6536, 0.8585]\n", + " PeriodicSite: Cl (17.71, 18.15, 17.92) [0.8718, 0.8937, 0.8824]\n", + " PeriodicSite: Cl (2.441, 2.096, 7.183) [0.1202, 0.1032, 0.3536]\n", + " PeriodicSite: Cl (12.3, 2.598, 17.67) [0.6056, 0.1279, 0.8699]\n", + " PeriodicSite: Cl (12.49, 7.525, 2.536) [0.6148, 0.3704, 0.1248]\n", + " PeriodicSite: Cl (17.92, 2.442, 12.6) [0.882, 0.1202, 0.6201]\n", + " PeriodicSite: Cl (7.771, 18.0, 17.41) [0.3825, 0.8861, 0.8569]\n", + " PeriodicSite: Cl (0.08473, 0.07127, 0.08108) [0.004171, 0.003509, 0.003992]\n", + " PeriodicSite: Cl (0.08027, 20.15, 10.16) [0.003945, 0.9921, 0.4999]\n", + " PeriodicSite: Cl (20.12, 9.749, 0.3498) [0.9905, 0.4799, 0.01723]\n", + " PeriodicSite: Cl (20.26, 10.13, 9.921) [0.9977, 0.4989, 0.4884]\n", + " PeriodicSite: Cl (9.892, 19.99, 0.03241) [0.487, 0.9842, 0.0016]\n", + " PeriodicSite: Cl (10.09, 0.4928, 9.563) [0.4967, 0.02426, 0.4708]\n", + " PeriodicSite: Cl (10.59, 10.13, 20.21) [0.5216, 0.4988, 0.9948]\n", + " PeriodicSite: Cl (10.44, 10.21, 10.13) [0.5139, 0.5027, 0.4988]\n", + " PeriodicSite: Cl (20.26, 4.589, 4.963) [0.9973, 0.2259, 0.2443]\n", + " PeriodicSite: Cl (0.3258, 5.103, 15.08) [0.01604, 0.2512, 0.7425]\n", + " PeriodicSite: Cl (20.23, 15.52, 4.881) [0.9958, 0.764, 0.2403]\n", + " PeriodicSite: Cl (20.24, 15.53, 15.1) [0.9963, 0.7646, 0.7432]\n", + " PeriodicSite: Cl (10.33, 4.917, 5.332) [0.5086, 0.2421, 0.2625]\n", + " PeriodicSite: Cl (9.923, 5.199, 15.48) [0.4885, 0.2559, 0.7621]\n", + " PeriodicSite: Cl (10.31, 15.59, 4.346) [0.5077, 0.7676, 0.2139]\n", + " PeriodicSite: Cl (10.34, 15.35, 14.91) [0.509, 0.7555, 0.7338]\n", + " PeriodicSite: S (4.949, 0.3686, 5.023) [0.2436, 0.01815, 0.2473]\n", + " PeriodicSite: S (4.988, 0.2026, 15.19) [0.2456, 0.009975, 0.748]\n", + " PeriodicSite: S (4.993, 10.28, 5.449) [0.2458, 0.5063, 0.2683]\n", + " PeriodicSite: S (5.306, 10.2, 15.36) [0.2612, 0.5019, 0.7561]\n", + " PeriodicSite: S (14.83, 20.09, 5.082) [0.73, 0.9888, 0.2502]\n", + " PeriodicSite: S (15.3, 0.2065, 15.36) [0.7531, 0.01016, 0.7564]\n", + " PeriodicSite: S (15.56, 10.18, 4.998) [0.7661, 0.5011, 0.2461]\n", + " PeriodicSite: S (15.44, 10.35, 15.19) [0.7601, 0.5097, 0.748]\n", + " PeriodicSite: S (5.358, 5.311, 0.05556) [0.2638, 0.2614, 0.002737]\n", + " PeriodicSite: S (5.183, 4.955, 10.35) [0.2551, 0.2439, 0.5098]\n", + " PeriodicSite: S (5.268, 15.13, 0.3258) [0.2594, 0.7447, 0.01604]\n", + " PeriodicSite: S (5.161, 15.59, 9.998) [0.2541, 0.7675, 0.4922]\n", + " PeriodicSite: S (14.63, 5.091, 0.07926) [0.7201, 0.2507, 0.003906]\n", + " PeriodicSite: S (15.18, 5.188, 9.952) [0.7473, 0.2554, 0.4899]\n", + " PeriodicSite: S (15.49, 15.65, 20.13) [0.7627, 0.7707, 0.9908]\n", + " PeriodicSite: S (15.16, 15.48, 10.28) [0.7463, 0.7622, 0.5062]\n", + " PeriodicSite: S (8.902, 3.841, 9.119) [0.4383, 0.1891, 0.4489]\n", + " PeriodicSite: S (8.653, 3.97, 19.58) [0.426, 0.1954, 0.9642]\n", + " PeriodicSite: S (9.326, 14.22, 8.474) [0.4591, 0.7003, 0.4172]\n", + " PeriodicSite: S (8.723, 14.39, 18.98) [0.4295, 0.7083, 0.9346]\n", + " PeriodicSite: S (19.38, 4.174, 8.643) [0.9542, 0.2055, 0.4255]\n", + " PeriodicSite: S (19.18, 4.079, 18.3) [0.9443, 0.2008, 0.9011]\n", + " PeriodicSite: S (18.96, 13.92, 8.892) [0.9333, 0.6854, 0.4378]\n", + " PeriodicSite: S (18.98, 13.63, 19.4) [0.9342, 0.6711, 0.9552]\n", + " PeriodicSite: S (3.607, 1.121, 1.169) [0.1776, 0.0552, 0.05754]\n", + " PeriodicSite: S (3.491, 1.117, 11.33) [0.1719, 0.05498, 0.5576]\n", + " PeriodicSite: S (3.618, 11.27, 1.336) [0.1781, 0.5547, 0.06576]\n", + " PeriodicSite: S (4.297, 11.77, 11.49) [0.2116, 0.5796, 0.5656]\n", + " PeriodicSite: S (13.82, 1.16, 0.9828) [0.6803, 0.05712, 0.04839]\n", + " PeriodicSite: S (14.13, 1.289, 11.58) [0.6956, 0.06347, 0.5702]\n", + " PeriodicSite: S (14.18, 11.5, 0.6334) [0.6982, 0.5662, 0.03119]\n", + " PeriodicSite: S (14.06, 11.03, 11.54) [0.6924, 0.5431, 0.5682]\n", + " PeriodicSite: S (6.009, 0.9995, 9.201) [0.2958, 0.0492, 0.453]\n", + " PeriodicSite: S (6.251, 1.022, 19.45) [0.3077, 0.05033, 0.9577]\n", + " PeriodicSite: S (6.425, 11.58, 9.008) [0.3163, 0.5699, 0.4435]\n", + " PeriodicSite: S (5.844, 11.65, 19.08) [0.2877, 0.5733, 0.9394]\n", + " PeriodicSite: S (16.57, 1.317, 9.183) [0.8157, 0.06483, 0.4521]\n", + " PeriodicSite: S (16.12, 1.43, 18.95) [0.7937, 0.07039, 0.9328]\n", + " PeriodicSite: S (16.34, 11.15, 8.957) [0.8045, 0.5488, 0.441]\n", + " PeriodicSite: S (16.8, 11.14, 19.15) [0.8272, 0.5483, 0.9427]\n", + " PeriodicSite: S (1.2, 4.086, 0.9268) [0.05906, 0.2011, 0.04563]\n", + " PeriodicSite: S (0.9255, 3.677, 11.33) [0.04556, 0.181, 0.558]\n", + " PeriodicSite: S (1.125, 13.88, 1.405) [0.05539, 0.6832, 0.06919]\n", + " PeriodicSite: S (0.8036, 14.75, 11.41) [0.03956, 0.7262, 0.5615]\n", + " PeriodicSite: S (11.04, 3.712, 1.523) [0.5437, 0.1827, 0.07497]\n", + " PeriodicSite: S (11.15, 3.938, 11.52) [0.5487, 0.1939, 0.5669]\n", + " PeriodicSite: S (11.15, 14.24, 1.11) [0.5491, 0.7011, 0.05463]\n", + " PeriodicSite: S (11.44, 13.98, 11.03) [0.5631, 0.6881, 0.5433]\n", + " PeriodicSite: S (2.756, 2.426, 17.69) [0.1357, 0.1194, 0.8707]\n", + " PeriodicSite: S (2.384, 12.75, 8.065) [0.1174, 0.6276, 0.397]\n", + " PeriodicSite: S (12.88, 2.336, 7.679) [0.6339, 0.115, 0.3781]\n", + " PeriodicSite: S (8.842, 9.28, 3.925) [0.4353, 0.4569, 0.1932]\n", + " PeriodicSite: S (9.478, 8.95, 14.21) [0.4666, 0.4406, 0.6994]\n", + " PeriodicSite: S (8.457, 19.02, 4.016) [0.4163, 0.9364, 0.1977]\n", + " PeriodicSite: S (9.008, 18.76, 13.95) [0.4435, 0.9234, 0.687]\n", + " PeriodicSite: S (19.15, 8.863, 4.145) [0.9427, 0.4363, 0.2041]\n", + " PeriodicSite: S (19.4, 8.913, 14.36) [0.9552, 0.4388, 0.7068]\n", + " PeriodicSite: S (18.83, 18.74, 3.918) [0.9268, 0.9224, 0.1929]\n", + " PeriodicSite: S (19.1, 18.79, 14.28) [0.9403, 0.925, 0.703]\n", + " PeriodicSite: S (3.878, 5.734, 6.738) [0.1909, 0.2823, 0.3317]\n", + " PeriodicSite: S (3.58, 5.991, 16.41) [0.1762, 0.2949, 0.8077]\n", + " PeriodicSite: S (3.926, 16.28, 6.343) [0.1933, 0.8016, 0.3123]\n", + " PeriodicSite: S (4.099, 16.6, 16.71) [0.2018, 0.8172, 0.8225]\n", + " PeriodicSite: S (13.98, 5.821, 6.041) [0.6883, 0.2866, 0.2974]\n", + " PeriodicSite: S (13.44, 6.345, 16.45) [0.6617, 0.3123, 0.8098]\n", + " PeriodicSite: S (13.82, 16.43, 6.096) [0.6803, 0.8089, 0.3001]\n", + " PeriodicSite: S (13.71, 16.53, 16.23) [0.675, 0.8138, 0.7993]\n", + " PeriodicSite: S (6.224, 6.744, 4.542) [0.3064, 0.332, 0.2236]\n", + " PeriodicSite: S (5.737, 6.44, 13.89) [0.2824, 0.3171, 0.6838]\n", + " PeriodicSite: S (6.437, 16.25, 4.017) [0.3169, 0.7999, 0.1978]\n", + " PeriodicSite: S (5.843, 16.46, 13.92) [0.2877, 0.8104, 0.6854]\n", + " PeriodicSite: S (16.14, 6.067, 3.706) [0.7947, 0.2987, 0.1825]\n", + " PeriodicSite: S (16.22, 6.538, 14.2) [0.7985, 0.3219, 0.6991]\n", + " PeriodicSite: S (16.46, 16.33, 3.969) [0.8106, 0.8039, 0.1954]\n", + " PeriodicSite: S (16.52, 16.29, 14.1) [0.8131, 0.8019, 0.6944]\n", + " PeriodicSite: S (1.213, 8.885, 6.268) [0.05973, 0.4374, 0.3086]\n", + " PeriodicSite: S (1.473, 9.268, 16.52) [0.07253, 0.4563, 0.8135]\n", + " PeriodicSite: S (1.157, 19.16, 6.244) [0.05697, 0.9433, 0.3074]\n", + " PeriodicSite: S (1.146, 19.06, 16.56) [0.05641, 0.9385, 0.8153]\n", + " PeriodicSite: S (11.32, 8.873, 6.233) [0.5571, 0.4368, 0.3068]\n", + " PeriodicSite: S (11.7, 9.249, 16.78) [0.576, 0.4553, 0.826]\n", + " PeriodicSite: S (10.82, 18.9, 6.205) [0.5327, 0.9303, 0.3055]\n", + " PeriodicSite: S (11.44, 19.07, 16.02) [0.5633, 0.9389, 0.7885]\n", + " PeriodicSite: S (2.709, 17.57, 2.683) [0.1334, 0.8652, 0.1321]\n", + " PeriodicSite: S (2.477, 17.66, 12.76) [0.1219, 0.8692, 0.6282]\n", + " PeriodicSite: S (12.79, 7.345, 12.57) [0.6298, 0.3616, 0.619]\n", + " PeriodicSite: S (12.82, 17.62, 2.287) [0.6312, 0.8677, 0.1126]\n", + " PeriodicSite: S (4.059, 4.327, 3.574) [0.1998, 0.213, 0.1759]\n", + " PeriodicSite: S (3.879, 3.842, 13.92) [0.191, 0.1891, 0.6853]\n", + " PeriodicSite: S (3.832, 14.14, 3.816) [0.1887, 0.696, 0.1879]\n", + " PeriodicSite: S (3.852, 13.89, 14.89) [0.1896, 0.6839, 0.733]\n", + " PeriodicSite: S (14.05, 3.35, 3.943) [0.6919, 0.1649, 0.1941]\n", + " PeriodicSite: S (14.02, 4.128, 14.19) [0.6904, 0.2032, 0.6987]\n", + " PeriodicSite: S (14.23, 13.86, 4.03) [0.7004, 0.6824, 0.1984]\n", + " PeriodicSite: S (14.04, 13.89, 14.1) [0.6911, 0.6836, 0.6939]\n", + " PeriodicSite: S (8.771, 1.469, 6.013) [0.4318, 0.07232, 0.296]\n", + " PeriodicSite: S (8.7, 0.978, 16.16) [0.4283, 0.04815, 0.7957]\n", + " PeriodicSite: S (8.957, 11.2, 6.451) [0.441, 0.5516, 0.3176]\n", + " PeriodicSite: S (8.855, 11.18, 16.51) [0.436, 0.5504, 0.8126]\n", + " PeriodicSite: S (18.77, 0.825, 6.276) [0.9239, 0.04061, 0.309]\n", + " PeriodicSite: S (19.17, 1.071, 16.26) [0.9438, 0.05272, 0.8006]\n", + " PeriodicSite: S (19.21, 11.4, 6.369) [0.9458, 0.5613, 0.3136]\n", + " PeriodicSite: S (19.32, 11.57, 16.34) [0.9513, 0.5696, 0.8046]\n", + " PeriodicSite: S (0.5953, 0.9596, 3.478) [0.02931, 0.04724, 0.1712]\n", + " PeriodicSite: S (1.145, 1.062, 13.91) [0.05638, 0.0523, 0.685]\n", + " PeriodicSite: S (1.188, 11.5, 4.244) [0.0585, 0.566, 0.2089]\n", + " PeriodicSite: S (1.587, 11.23, 14.04) [0.07811, 0.5531, 0.691]\n", + " PeriodicSite: S (11.24, 0.6875, 3.906) [0.5534, 0.03384, 0.1923]\n", + " PeriodicSite: S (10.98, 1.366, 14.06) [0.5404, 0.06726, 0.6921]\n", + " PeriodicSite: S (11.48, 11.35, 3.962) [0.5653, 0.5589, 0.1951]\n", + " PeriodicSite: S (11.43, 11.52, 14.29) [0.5627, 0.5672, 0.7035]\n", + " PeriodicSite: S (6.428, 3.889, 5.963) [0.3165, 0.1915, 0.2936]\n", + " PeriodicSite: S (6.448, 4.14, 16.23) [0.3174, 0.2038, 0.7991]\n", + " PeriodicSite: S (6.185, 13.71, 6.041) [0.3045, 0.6749, 0.2974]\n", + " PeriodicSite: S (6.848, 14.41, 16.41) [0.3371, 0.7095, 0.808]\n", + " PeriodicSite: S (16.63, 3.659, 5.945) [0.8185, 0.1801, 0.2927]\n", + " PeriodicSite: S (16.36, 4.432, 16.59) [0.8052, 0.2182, 0.8166]\n", + " PeriodicSite: S (16.4, 14.23, 6.465) [0.8076, 0.7007, 0.3183]\n", + " PeriodicSite: S (16.24, 14.24, 16.61) [0.7994, 0.7012, 0.8179]\n", + " PeriodicSite: S (7.459, 2.307, 12.55) [0.3672, 0.1136, 0.6177]\n", + " PeriodicSite: S (7.605, 12.54, 2.456) [0.3744, 0.6175, 0.1209]\n", + " PeriodicSite: S (17.59, 2.23, 2.534) [0.8662, 0.1098, 0.1248]\n", + " PeriodicSite: S (17.39, 12.42, 2.457) [0.856, 0.6114, 0.121]\n", + " PeriodicSite: S (17.84, 12.93, 12.72) [0.8782, 0.6366, 0.6263]\n", + " PeriodicSite: S (3.986, 9.351, 9.395) [0.1962, 0.4604, 0.4625]\n", + " PeriodicSite: S (3.579, 8.966, 19.39) [0.1762, 0.4414, 0.9546]\n", + " PeriodicSite: S (3.39, 18.94, 9.079) [0.1669, 0.9324, 0.447]\n", + " PeriodicSite: S (3.508, 19.22, 19.24) [0.1727, 0.9464, 0.9471]\n", + " PeriodicSite: S (14.04, 8.806, 9.007) [0.6911, 0.4335, 0.4434]\n", + " PeriodicSite: S (14.35, 8.755, 19.13) [0.7065, 0.431, 0.942]\n", + " PeriodicSite: S (14.03, 19.4, 9.177) [0.6906, 0.955, 0.4518]\n", + " PeriodicSite: S (13.84, 19.28, 18.94) [0.6812, 0.9491, 0.9326]\n", + " PeriodicSite: S (8.605, 5.827, 2.358) [0.4237, 0.2869, 0.1161]\n", + " PeriodicSite: S (9.009, 6.477, 11.32) [0.4435, 0.3189, 0.5572]\n", + " PeriodicSite: S (8.573, 16.82, 1.028) [0.4221, 0.828, 0.05063]\n", + " PeriodicSite: S (9.491, 16.65, 11.23) [0.4672, 0.8195, 0.5529]\n", + " PeriodicSite: S (18.7, 5.878, 0.8036) [0.9207, 0.2894, 0.03957]\n", + " PeriodicSite: S (19.33, 6.462, 11.17) [0.9518, 0.3181, 0.5499]\n", + " PeriodicSite: S (19.27, 16.4, 0.6548) [0.9484, 0.8075, 0.03224]\n", + " PeriodicSite: S (18.67, 16.71, 10.99) [0.919, 0.8228, 0.5409]\n", + " PeriodicSite: S (1.717, 5.927, 9.067) [0.08453, 0.2918, 0.4464]\n", + " PeriodicSite: S (1.366, 6.199, 18.85) [0.06723, 0.3052, 0.9281]\n", + " PeriodicSite: S (0.8791, 16.26, 8.574) [0.04327, 0.8003, 0.4221]\n", + " PeriodicSite: S (1.242, 15.67, 18.8) [0.06115, 0.7715, 0.9253]\n", + " PeriodicSite: S (11.31, 6.146, 8.893) [0.557, 0.3026, 0.4378]\n", + " PeriodicSite: S (10.72, 6.499, 19.75) [0.528, 0.3199, 0.9725]\n", + " PeriodicSite: S (11.8, 16.49, 8.766) [0.5807, 0.8119, 0.4316]\n", + " PeriodicSite: S (11.2, 16.67, 19.01) [0.5516, 0.8206, 0.936]\n", + " PeriodicSite: S (6.402, 9.167, 1.003) [0.3152, 0.4513, 0.04937]\n", + " PeriodicSite: S (6.734, 9.424, 11.51) [0.3315, 0.464, 0.5667]\n", + " PeriodicSite: S (5.938, 18.94, 1.377) [0.2923, 0.9324, 0.06778]\n", + " PeriodicSite: S (6.158, 18.9, 11.4) [0.3032, 0.9306, 0.5613]\n", + " PeriodicSite: S (16.56, 8.922, 1.242) [0.8153, 0.4392, 0.06113]\n", + " PeriodicSite: S (16.48, 8.866, 11.52) [0.8114, 0.4365, 0.567]\n", + " PeriodicSite: S (16.12, 19.23, 0.8982) [0.7936, 0.9469, 0.04423]\n", + " PeriodicSite: S (16.21, 19.08, 11.74) [0.7983, 0.9394, 0.5778]\n", + " PeriodicSite: S (7.605, 7.45, 17.7) [0.3744, 0.3667, 0.8715]\n", + " PeriodicSite: S (7.471, 17.69, 8.04) [0.3678, 0.8708, 0.3958]\n", + " PeriodicSite: S (17.67, 7.665, 7.573) [0.87, 0.3774, 0.3728]\n", + " PeriodicSite: S (17.49, 17.89, 7.568) [0.8612, 0.8808, 0.3726]\n", + " PeriodicSite: P (4.825, 20.09, 0.3046) [0.2375, 0.989, 0.015]\n", + " PeriodicSite: P (4.773, 20.16, 10.4) [0.235, 0.9923, 0.5122]\n", + " PeriodicSite: P (4.824, 10.26, 0.04127) [0.2375, 0.5049, 0.002034]\n", + " PeriodicSite: P (5.409, 10.47, 10.4) [0.2663, 0.5155, 0.5122]\n", + " PeriodicSite: P (14.95, 0.1445, 20.05) [0.7361, 0.00711, 0.9871]\n", + " PeriodicSite: P (15.36, 0.1132, 10.45) [0.756, 0.005565, 0.5146]\n", + " PeriodicSite: P (15.47, 10.06, 20.16) [0.7614, 0.4952, 0.9927]\n", + " PeriodicSite: P (15.25, 9.901, 10.32) [0.7508, 0.4874, 0.5083]\n", + " PeriodicSite: P (5.08, 5.146, 5.244) [0.2501, 0.2534, 0.2582]\n", + " PeriodicSite: P (4.946, 5.125, 15.12) [0.2435, 0.2523, 0.7444]\n", + " PeriodicSite: P (4.975, 15.17, 5.002) [0.2449, 0.7468, 0.2462]\n", + " PeriodicSite: P (5.219, 15.18, 15.52) [0.2569, 0.7472, 0.7642]\n", + " PeriodicSite: P (15.27, 4.737, 4.877) [0.7519, 0.2332, 0.2401]\n", + " PeriodicSite: P (15.01, 5.466, 15.46) [0.7388, 0.2691, 0.7613]\n", + " PeriodicSite: P (15.17, 15.2, 5.107) [0.747, 0.7484, 0.2514]\n", + " PeriodicSite: P (15.07, 15.21, 15.17) [0.7418, 0.749, 0.747]\n", + " PeriodicSite: P (20.01, 20.07, 4.963) [0.9852, 0.9883, 0.2443]\n", + " PeriodicSite: P (0.08966, 20.13, 15.2) [0.004409, 0.991, 0.7483]\n", + " PeriodicSite: P (0.0292, 10.07, 5.166) [0.001434, 0.4958, 0.2543]\n", + " PeriodicSite: P (0.182, 10.34, 15.24) [0.008958, 0.5088, 0.7504]\n", + " PeriodicSite: P (9.84, 20.17, 4.994) [0.4844, 0.9932, 0.2459]\n", + " PeriodicSite: P (10.01, 20.12, 15.07) [0.4926, 0.9904, 0.7418]\n", + " PeriodicSite: P (10.22, 10.21, 5.103) [0.5032, 0.5026, 0.2512]\n", + " PeriodicSite: P (10.36, 10.24, 15.5) [0.51, 0.5039, 0.7631]\n", + " PeriodicSite: P (20.3, 4.981, 19.91) [0.9994, 0.2452, 0.98]\n", + " PeriodicSite: P (0.1665, 5.106, 10.03) [0.0082, 0.2514, 0.4938]\n", + " PeriodicSite: P (20.31, 14.86, 0.02155) [1.0, 0.7316, 0.001068]\n", + " PeriodicSite: P (19.99, 15.39, 9.936) [0.9843, 0.7574, 0.4891]\n", + " PeriodicSite: P (9.656, 5.156, 0.7696) [0.4754, 0.2538, 0.03789]\n", + " PeriodicSite: P (10.12, 5.074, 10.22) [0.4983, 0.2498, 0.5033]\n", + " PeriodicSite: P (9.86, 15.56, 0.05546) [0.4854, 0.7662, 0.002734]\n", + " PeriodicSite: P (10.43, 15.32, 9.86) [0.5136, 0.7544, 0.4854],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.214, 6.005, 3.678) [0.109, 0.2957, 0.1811]\n", + " PeriodicSite: Li (3.257, 1.538, 15.55) [0.1604, 0.07572, 0.7654]\n", + " PeriodicSite: Li (0.7868, 11.25, 7.556) [0.03873, 0.5536, 0.372]\n", + " PeriodicSite: Li (0.5235, 13.38, 17.63) [0.02577, 0.6586, 0.8681]\n", + " PeriodicSite: Li (14.26, 1.104, 7.618) [0.7022, 0.05434, 0.375]\n", + " PeriodicSite: Li (12.23, 3.653, 15.72) [0.602, 0.1798, 0.7739]\n", + " PeriodicSite: Li (17.15, 12.28, 5.235) [0.8445, 0.6044, 0.2577]\n", + " PeriodicSite: Li (17.23, 8.402, 16.02) [0.8483, 0.4136, 0.7886]\n", + " PeriodicSite: Li (6.22, 5.075, 8.209) [0.3062, 0.2498, 0.4041]\n", + " PeriodicSite: Li (2.07, 1.552, 19.82) [0.1019, 0.07641, 0.9758]\n", + " PeriodicSite: Li (5.312, 7.636, 6.55) [0.2615, 0.3759, 0.3224]\n", + " PeriodicSite: Li (6.969, 10.08, 17.45) [0.3431, 0.4961, 0.8593]\n", + " PeriodicSite: Li (11.72, 4.846, 6.953) [0.5772, 0.2386, 0.3423]\n", + " PeriodicSite: Li (12.81, 2.957, 0.1562) [0.6305, 0.1456, 0.007696]\n", + " PeriodicSite: Li (11.99, 10.09, 12.63) [0.5901, 0.4967, 0.6219]\n", + " PeriodicSite: Li (9.852, 18.58, 18.03) [0.485, 0.9147, 0.8874]\n", + " PeriodicSite: Li (5.447, 1.598, 6.712) [0.2682, 0.07867, 0.3305]\n", + " PeriodicSite: Li (3.224, 0.04489, 17.49) [0.1587, 0.00221, 0.8612]\n", + " PeriodicSite: Li (4.472, 10.36, 7.752) [0.2202, 0.5101, 0.3816]\n", + " PeriodicSite: Li (7.431, 10.29, 13.31) [0.3658, 0.5066, 0.6553]\n", + " PeriodicSite: Li (12.12, 0.8487, 9.411) [0.5966, 0.04178, 0.4633]\n", + " PeriodicSite: Li (9.594, 1.877, 18.83) [0.4723, 0.0924, 0.9271]\n", + " PeriodicSite: Li (13.66, 15.46, 8.322) [0.6723, 0.761, 0.4097]\n", + " PeriodicSite: Li (12.41, 10.99, 18.58) [0.611, 0.5412, 0.9145]\n", + " PeriodicSite: Li (1.736, 4.213, 6.662) [0.08548, 0.2074, 0.328]\n", + " PeriodicSite: Li (0.1483, 2.531, 17.35) [0.007303, 0.1246, 0.8543]\n", + " PeriodicSite: Li (0.4319, 14.39, 7.335) [0.02126, 0.7083, 0.3611]\n", + " PeriodicSite: Li (3.936, 12.87, 20.02) [0.1938, 0.6338, 0.9855]\n", + " PeriodicSite: Li (12.92, 1.242, 5.382) [0.636, 0.06116, 0.265]\n", + " PeriodicSite: Li (13.43, 0.2401, 16.31) [0.661, 0.01181, 0.8028]\n", + " PeriodicSite: Li (10.54, 11.96, 8.407) [0.5187, 0.5887, 0.4139]\n", + " PeriodicSite: Li (15.64, 17.69, 19.22) [0.7698, 0.8711, 0.9463]\n", + " PeriodicSite: Li (7.254, 0.3067, 4.154) [0.3571, 0.0151, 0.2045]\n", + " PeriodicSite: Li (1.722, 19.89, 1.788) [0.08475, 0.9793, 0.08804]\n", + " PeriodicSite: Li (2.745, 14.48, 9.357) [0.1351, 0.7129, 0.4607]\n", + " PeriodicSite: Li (2.422, 15.94, 14.47) [0.1193, 0.7846, 0.7126]\n", + " PeriodicSite: Li (14.93, 3.666, 8.114) [0.7352, 0.1805, 0.3995]\n", + " PeriodicSite: Li (14.91, 2.951, 18.27) [0.734, 0.1453, 0.8996]\n", + " PeriodicSite: Li (16.87, 15.22, 8.648) [0.8305, 0.7491, 0.4258]\n", + " PeriodicSite: Li (10.06, 12.59, 18.8) [0.4952, 0.6198, 0.9255]\n", + " PeriodicSite: Li (5.134, 2.231, 3.445) [0.2528, 0.1098, 0.1696]\n", + " PeriodicSite: Li (4.967, 2.229, 17.36) [0.2445, 0.1097, 0.8547]\n", + " PeriodicSite: Li (3.563, 12.21, 5.562) [0.1754, 0.6012, 0.2738]\n", + " PeriodicSite: Li (20.17, 13.27, 3.328) [0.9931, 0.6534, 0.1638]\n", + " PeriodicSite: Li (9.99, 2.186, 7.939) [0.4918, 0.1076, 0.3908]\n", + " PeriodicSite: Li (17.02, 0.01821, 17.38) [0.8379, 0.0008899, 0.8558]\n", + " PeriodicSite: Li (15.02, 11.83, 2.916) [0.7396, 0.5823, 0.1435]\n", + " PeriodicSite: Li (14.34, 8.667, 16.44) [0.706, 0.4267, 0.8092]\n", + " PeriodicSite: Li (3.631, 11.8, 16.3) [0.1787, 0.5807, 0.8023]\n", + " PeriodicSite: Li (2.359, 11.39, 9.981) [0.1161, 0.5607, 0.4914]\n", + " PeriodicSite: Li (20.28, 17.21, 2.742) [0.9985, 0.8472, 0.135]\n", + " PeriodicSite: Li (1.272, 0.1051, 8.553) [0.06263, 0.005174, 0.4211]\n", + " PeriodicSite: Li (13.37, 5.232, 2.303) [0.658, 0.2576, 0.1134]\n", + " PeriodicSite: Li (11.91, 7.351, 14.99) [0.5864, 0.3619, 0.7378]\n", + " PeriodicSite: Li (11.39, 14.62, 7.141) [0.5608, 0.7198, 0.3515]\n", + " PeriodicSite: Li (14.37, 20.17, 13.28) [0.7076, 0.993, 0.654]\n", + " PeriodicSite: Li (3.211, 7.131, 20.3) [0.1581, 0.3511, 0.9996]\n", + " PeriodicSite: Li (3.113, 4.565, 9.271) [0.1532, 0.2247, 0.4564]\n", + " PeriodicSite: Li (6.941, 16.22, 18.47) [0.3417, 0.7984, 0.9094]\n", + " PeriodicSite: Li (5.797, 18.19, 15.81) [0.2854, 0.8956, 0.7782]\n", + " PeriodicSite: Li (15.05, 6.915, 1.771) [0.7411, 0.3404, 0.08718]\n", + " PeriodicSite: Li (10.24, 7.99, 11.57) [0.504, 0.3934, 0.5694]\n", + " PeriodicSite: Li (13.41, 18.02, 4.782) [0.6604, 0.887, 0.2354]\n", + " PeriodicSite: Li (10.73, 17.53, 13.48) [0.5281, 0.8632, 0.6636]\n", + " PeriodicSite: Li (2.036, 10.22, 19.35) [0.1002, 0.5029, 0.9526]\n", + " PeriodicSite: Li (4.003, 5.695, 12.37) [0.1971, 0.2804, 0.6089]\n", + " PeriodicSite: Li (4.532, 16.94, 2.539) [0.2231, 0.8337, 0.125]\n", + " PeriodicSite: Li (2.393, 17.47, 10.58) [0.1178, 0.8599, 0.5211]\n", + " PeriodicSite: Li (11.29, 8.492, 1.26) [0.5559, 0.4181, 0.06204]\n", + " PeriodicSite: Li (12.07, 5.513, 12.92) [0.5941, 0.2714, 0.6362]\n", + " PeriodicSite: Li (12.82, 15.67, 3.348) [0.6312, 0.7716, 0.1648]\n", + " PeriodicSite: Li (14.17, 15.93, 12.69) [0.6978, 0.7843, 0.6248]\n", + " PeriodicSite: Li (1.082, 9.252, 2.203) [0.05329, 0.4555, 0.1084]\n", + " PeriodicSite: Li (17.29, 6.012, 10.05) [0.851, 0.296, 0.4949]\n", + " PeriodicSite: Li (1.929, 16.65, 4.861) [0.09496, 0.8196, 0.2393]\n", + " PeriodicSite: Li (0.8206, 19.47, 12.06) [0.04039, 0.9585, 0.5939]\n", + " PeriodicSite: Li (10.85, 7.189, 4.35) [0.5343, 0.3539, 0.2142]\n", + " PeriodicSite: Li (14.92, 9.021, 13.25) [0.7345, 0.4441, 0.6525]\n", + " PeriodicSite: Li (12.68, 16.85, 0.2316) [0.6241, 0.8294, 0.01141]\n", + " PeriodicSite: Li (11.73, 15.11, 16.52) [0.5777, 0.7439, 0.8132]\n", + " PeriodicSite: Li (5.362, 9.056, 3.383) [0.264, 0.4458, 0.1666]\n", + " PeriodicSite: Li (20.1, 13.41, 13.35) [0.9893, 0.66, 0.6572]\n", + " PeriodicSite: Li (17.97, 16.32, 5.733) [0.8845, 0.8036, 0.2822]\n", + " PeriodicSite: Li (3.684, 19.75, 13.6) [0.1813, 0.9723, 0.6693]\n", + " PeriodicSite: Li (17.37, 10.54, 3.105) [0.8554, 0.5189, 0.1529]\n", + " PeriodicSite: Li (13.39, 6.884, 10.39) [0.6592, 0.3389, 0.5116]\n", + " PeriodicSite: Li (11.83, 19.94, 1.351) [0.5824, 0.9815, 0.06652]\n", + " PeriodicSite: Li (12.76, 17.36, 10.55) [0.6282, 0.8548, 0.5194]\n", + " PeriodicSite: Li (3.028, 4.434, 19.54) [0.1491, 0.2183, 0.9619]\n", + " PeriodicSite: Li (3.919, 9.507, 13.63) [0.193, 0.468, 0.6711]\n", + " PeriodicSite: Li (3.578, 19.42, 3.529) [0.1762, 0.956, 0.1737]\n", + " PeriodicSite: Li (20.18, 16.99, 13.06) [0.9936, 0.8362, 0.643]\n", + " PeriodicSite: Li (13.58, 9.606, 4.503) [0.6684, 0.4729, 0.2217]\n", + " PeriodicSite: Li (14.85, 6.259, 12.63) [0.7313, 0.3081, 0.622]\n", + " PeriodicSite: Li (15.2, 17.24, 1.832) [0.7481, 0.8486, 0.09021]\n", + " PeriodicSite: Li (19.8, 4.716, 13.11) [0.9749, 0.2322, 0.6455]\n", + " PeriodicSite: Li (9.816, 3.259, 3.692) [0.4832, 0.1604, 0.1817]\n", + " PeriodicSite: Li (9.823, 1.646, 11.92) [0.4836, 0.08101, 0.5868]\n", + " PeriodicSite: Li (6.985, 11.39, 4.304) [0.3439, 0.5608, 0.2119]\n", + " PeriodicSite: Li (6.608, 12.39, 14.87) [0.3253, 0.6101, 0.732]\n", + " PeriodicSite: Li (19.28, 2.567, 4.43) [0.9493, 0.1264, 0.2181]\n", + " PeriodicSite: Li (12.78, 4.128, 9.691) [0.6291, 0.2032, 0.4771]\n", + " PeriodicSite: Li (19.03, 11.9, 0.4961) [0.9368, 0.586, 0.02443]\n", + " PeriodicSite: Li (18.0, 10.9, 14.08) [0.8862, 0.5367, 0.6932]\n", + " PeriodicSite: Li (6.146, 18.26, 5.811) [0.3026, 0.8987, 0.2861]\n", + " PeriodicSite: Li (8.871, 2.941, 14.74) [0.4367, 0.1448, 0.7259]\n", + " PeriodicSite: Li (6.589, 13.41, 0.1842) [0.3244, 0.6604, 0.009069]\n", + " PeriodicSite: Li (9.93, 13.62, 13.25) [0.4889, 0.6703, 0.6522]\n", + " PeriodicSite: Li (13.78, 19.95, 2.998) [0.6783, 0.9822, 0.1476]\n", + " PeriodicSite: Li (19.39, 2.044, 10.55) [0.9546, 0.1006, 0.5192]\n", + " PeriodicSite: Li (17.04, 14.79, 1.684) [0.8391, 0.7283, 0.08293]\n", + " PeriodicSite: Li (16.93, 15.05, 11.92) [0.8336, 0.7409, 0.5869]\n", + " PeriodicSite: Li (7.961, 5.695, 5.836) [0.3919, 0.2804, 0.2873]\n", + " PeriodicSite: Li (6.6, 0.0006593, 13.52) [0.3249, 3.05e-05, 0.6655]\n", + " PeriodicSite: Li (10.2, 13.41, 2.759) [0.5024, 0.6604, 0.1358]\n", + " PeriodicSite: Li (5.567, 13.82, 11.76) [0.2741, 0.6804, 0.579]\n", + " PeriodicSite: Li (20.02, 1.937, 1.927) [0.9858, 0.09536, 0.09488]\n", + " PeriodicSite: Li (0.4535, 8.879, 11.79) [0.02232, 0.4371, 0.5805]\n", + " PeriodicSite: Li (15.57, 12.97, 0.1473) [0.7663, 0.6386, 0.007256]\n", + " PeriodicSite: Li (15.82, 12.26, 13.46) [0.7787, 0.6034, 0.6624]\n", + " PeriodicSite: Li (2.799, 0.5868, 5.78) [0.1378, 0.02889, 0.2845]\n", + " PeriodicSite: Li (5.748, 2.471, 14.14) [0.283, 0.1216, 0.6964]\n", + " PeriodicSite: Li (5.145, 13.25, 2.205) [0.2533, 0.6523, 0.1085]\n", + " PeriodicSite: Li (8.318, 7.032, 15.22) [0.4095, 0.3462, 0.7492]\n", + " PeriodicSite: Li (18.25, 4.622, 2.815) [0.8984, 0.2275, 0.1386]\n", + " PeriodicSite: Li (17.7, 0.5533, 13.93) [0.8712, 0.02723, 0.686]\n", + " PeriodicSite: Li (14.42, 14.71, 18.39) [0.7099, 0.7243, 0.9053]\n", + " PeriodicSite: Li (18.34, 12.4, 10.76) [0.9031, 0.6102, 0.5299]\n", + " PeriodicSite: Li (6.288, 3.525, 0.5567) [0.3096, 0.1736, 0.02741]\n", + " PeriodicSite: Li (5.472, 2.636, 10.67) [0.2694, 0.1298, 0.5255]\n", + " PeriodicSite: Li (8.328, 10.92, 2.19) [0.41, 0.5375, 0.1078]\n", + " PeriodicSite: Li (7.956, 11.16, 10.53) [0.3917, 0.5494, 0.5186]\n", + " PeriodicSite: Li (16.21, 1.851, 4.523) [0.798, 0.09114, 0.2227]\n", + " PeriodicSite: Li (16.12, 3.171, 10.84) [0.7938, 0.1561, 0.5338]\n", + " PeriodicSite: Li (20.1, 8.116, 18.06) [0.9895, 0.3996, 0.8893]\n", + " PeriodicSite: Li (17.77, 14.27, 14.56) [0.8749, 0.7027, 0.7169]\n", + " PeriodicSite: Li (8.103, 0.1338, 1.478) [0.3989, 0.006582, 0.07276]\n", + " PeriodicSite: Li (7.62, 0.2009, 11.11) [0.3751, 0.009887, 0.5471]\n", + " PeriodicSite: Li (7.761, 14.12, 4.606) [0.3821, 0.6952, 0.2268]\n", + " PeriodicSite: Li (4.282, 16.71, 12.28) [0.2108, 0.8224, 0.6047]\n", + " PeriodicSite: Li (15.73, 3.14, 1.704) [0.7745, 0.1546, 0.08389]\n", + " PeriodicSite: Li (1.372, 7.543, 15.37) [0.06753, 0.3714, 0.7567]\n", + " PeriodicSite: Li (4.95, 13.35, 8.162) [0.2437, 0.6571, 0.4018]\n", + " PeriodicSite: Li (13.92, 13.33, 10.23) [0.6854, 0.6563, 0.5037]\n", + " PeriodicSite: Li (14.27, 11.74, 6.516) [0.7024, 0.5782, 0.3208]\n", + " PeriodicSite: Li (5.29, 8.254, 16.33) [0.2604, 0.4063, 0.8041]\n", + " PeriodicSite: Li (7.115, 16.88, 10.23) [0.3503, 0.8311, 0.5035]\n", + " PeriodicSite: Li (3.494, 15.4, 18.54) [0.172, 0.7581, 0.9129]\n", + " PeriodicSite: Li (17.18, 9.783, 7.343) [0.8459, 0.4816, 0.3615]\n", + " PeriodicSite: Li (2.412, 4.383, 15.91) [0.1188, 0.2158, 0.7833]\n", + " PeriodicSite: Li (17.43, 19.36, 6.14) [0.8579, 0.9532, 0.3023]\n", + " PeriodicSite: Li (0.1273, 18.24, 19.33) [0.006266, 0.8981, 0.9518]\n", + " PeriodicSite: Li (7.305, 10.27, 6.782) [0.3596, 0.5058, 0.3339]\n", + " PeriodicSite: Li (8.924, 5.744, 17.8) [0.4394, 0.2828, 0.8765]\n", + " PeriodicSite: Li (7.907, 20.0, 8.108) [0.3893, 0.9848, 0.3992]\n", + " PeriodicSite: Li (8.089, 16.5, 15.04) [0.3982, 0.8122, 0.7406]\n", + " PeriodicSite: Li (18.55, 8.408, 9.809) [0.9131, 0.4139, 0.4829]\n", + " PeriodicSite: Li (17.04, 5.055, 19.91) [0.8389, 0.2488, 0.9802]\n", + " PeriodicSite: Li (17.68, 19.5, 9.341) [0.8706, 0.9602, 0.4599]\n", + " PeriodicSite: Li (19.01, 17.36, 15.79) [0.9361, 0.8548, 0.7775]\n", + " PeriodicSite: Li (6.52, 7.216, 9.75) [0.321, 0.3553, 0.48]\n", + " PeriodicSite: Li (5.69, 6.367, 17.97) [0.2801, 0.3135, 0.8849]\n", + " PeriodicSite: Li (9.888, 18.05, 8.174) [0.4868, 0.8887, 0.4024]\n", + " PeriodicSite: Li (13.68, 11.95, 15.23) [0.6737, 0.5884, 0.75]\n", + " PeriodicSite: Li (20.08, 7.536, 7.339) [0.9884, 0.371, 0.3613]\n", + " PeriodicSite: Li (18.64, 5.461, 17.19) [0.9178, 0.2689, 0.8461]\n", + " PeriodicSite: Li (16.07, 17.46, 10.31) [0.7913, 0.8594, 0.5076]\n", + " PeriodicSite: Li (17.49, 15.85, 19.2) [0.861, 0.7803, 0.9452]\n", + " PeriodicSite: Li (10.07, 8.32, 8.001) [0.4955, 0.4096, 0.3939]\n", + " PeriodicSite: Li (5.059, 6.031, 2.141) [0.2491, 0.2969, 0.1054]\n", + " PeriodicSite: Li (5.13, 17.0, 8.298) [0.2526, 0.8371, 0.4085]\n", + " PeriodicSite: Li (6.735, 15.25, 1.898) [0.3315, 0.7509, 0.09346]\n", + " PeriodicSite: Li (15.38, 6.701, 7.851) [0.7573, 0.3299, 0.3865]\n", + " PeriodicSite: Li (18.06, 8.46, 0.4395) [0.8892, 0.4165, 0.02164]\n", + " PeriodicSite: Li (15.13, 18.22, 6.84) [0.7447, 0.8971, 0.3367]\n", + " PeriodicSite: Li (15.68, 18.35, 15.27) [0.772, 0.9034, 0.7517]\n", + " PeriodicSite: Li (7.197, 4.284, 11.61) [0.3543, 0.2109, 0.5713]\n", + " PeriodicSite: Li (7.002, 6.995, 20.13) [0.3447, 0.3444, 0.991]\n", + " PeriodicSite: Li (8.956, 17.11, 5.614) [0.4409, 0.8421, 0.2764]\n", + " PeriodicSite: Li (10.23, 17.47, 3.026) [0.5037, 0.8601, 0.149]\n", + " PeriodicSite: Li (17.52, 7.975, 4.637) [0.8625, 0.3926, 0.2283]\n", + " PeriodicSite: Li (13.64, 6.079, 19.09) [0.6717, 0.2993, 0.9401]\n", + " PeriodicSite: Li (19.7, 17.92, 7.775) [0.9697, 0.8821, 0.3828]\n", + " PeriodicSite: Li (17.55, 0.6862, 0.8004) [0.864, 0.03377, 0.03941]\n", + " PeriodicSite: Li (2.839, 9.447, 4.6) [0.1398, 0.4651, 0.2265]\n", + " PeriodicSite: Li (9.324, 9.243, 18.23) [0.459, 0.4551, 0.8974]\n", + " PeriodicSite: Li (7.309, 15.11, 7.739) [0.3598, 0.7437, 0.381]\n", + " PeriodicSite: Li (6.899, 20.1, 17.04) [0.3397, 0.9894, 0.8389]\n", + " PeriodicSite: Li (18.42, 5.231, 6.88) [0.9068, 0.2575, 0.3387]\n", + " PeriodicSite: Li (16.76, 11.42, 16.92) [0.825, 0.5621, 0.8328]\n", + " PeriodicSite: Li (2.62, 15.65, 1.373) [0.129, 0.7705, 0.06762]\n", + " PeriodicSite: Li (16.17, 2.494, 14.65) [0.7961, 0.1228, 0.7214]\n", + " PeriodicSite: Cl (7.768, 12.77, 12.71) [0.3824, 0.6285, 0.6257]\n", + " PeriodicSite: Cl (2.283, 12.42, 18.26) [0.1124, 0.6116, 0.8992]\n", + " PeriodicSite: Cl (13.04, 17.9, 12.77) [0.642, 0.8813, 0.6286]\n", + " PeriodicSite: Cl (18.04, 7.575, 18.03) [0.8883, 0.3729, 0.8877]\n", + " PeriodicSite: Cl (7.184, 2.229, 2.56) [0.3537, 0.1098, 0.126]\n", + " PeriodicSite: Cl (7.41, 7.483, 7.353) [0.3648, 0.3684, 0.362]\n", + " PeriodicSite: Cl (12.48, 12.87, 7.616) [0.6143, 0.6338, 0.3749]\n", + " PeriodicSite: Cl (3.014, 7.817, 2.513) [0.1484, 0.3848, 0.1237]\n", + " PeriodicSite: Cl (2.58, 7.653, 12.94) [0.127, 0.3768, 0.6369]\n", + " PeriodicSite: Cl (12.91, 13.14, 17.66) [0.6357, 0.6467, 0.8693]\n", + " PeriodicSite: Cl (17.65, 17.94, 17.63) [0.8687, 0.8834, 0.8681]\n", + " PeriodicSite: Cl (2.876, 2.319, 7.736) [0.1416, 0.1142, 0.3808]\n", + " PeriodicSite: Cl (12.91, 2.514, 17.96) [0.6353, 0.1238, 0.8843]\n", + " PeriodicSite: Cl (13.02, 7.514, 2.7) [0.6412, 0.3699, 0.1329]\n", + " PeriodicSite: Cl (17.65, 2.459, 12.62) [0.8688, 0.121, 0.6211]\n", + " PeriodicSite: Cl (7.813, 17.86, 17.09) [0.3847, 0.8791, 0.8414]\n", + " PeriodicSite: Cl (20.24, 0.2076, 0.2705) [0.9963, 0.01021, 0.01332]\n", + " PeriodicSite: Cl (19.74, 20.29, 10.15) [0.9718, 0.9988, 0.4999]\n", + " PeriodicSite: Cl (20.3, 9.692, 0.1425) [0.9993, 0.4771, 0.007019]\n", + " PeriodicSite: Cl (20.2, 10.0, 9.557) [0.9947, 0.4923, 0.4705]\n", + " PeriodicSite: Cl (9.796, 20.02, 0.04994) [0.4823, 0.9855, 0.002463]\n", + " PeriodicSite: Cl (9.769, 0.1091, 10.06) [0.481, 0.005367, 0.4952]\n", + " PeriodicSite: Cl (10.29, 10.79, 20.06) [0.5064, 0.5311, 0.9873]\n", + " PeriodicSite: Cl (10.45, 9.719, 9.882) [0.5146, 0.4785, 0.4865]\n", + " PeriodicSite: Cl (0.0202, 4.584, 4.96) [0.0009939, 0.2257, 0.2442]\n", + " PeriodicSite: Cl (20.24, 4.92, 15.39) [0.9966, 0.2422, 0.7574]\n", + " PeriodicSite: Cl (20.23, 14.82, 5.048) [0.9959, 0.7296, 0.2485]\n", + " PeriodicSite: Cl (20.08, 15.53, 14.83) [0.9888, 0.7646, 0.7299]\n", + " PeriodicSite: Cl (10.17, 5.087, 5.111) [0.5005, 0.2505, 0.2516]\n", + " PeriodicSite: Cl (9.895, 5.011, 15.5) [0.4871, 0.2467, 0.763]\n", + " PeriodicSite: Cl (10.18, 15.34, 4.777) [0.5009, 0.7552, 0.2352]\n", + " PeriodicSite: Cl (10.3, 15.36, 14.61) [0.5071, 0.7564, 0.7195]\n", + " PeriodicSite: S (5.014, 20.07, 4.977) [0.2468, 0.9879, 0.245]\n", + " PeriodicSite: S (5.025, 0.2274, 15.56) [0.2474, 0.01119, 0.7658]\n", + " PeriodicSite: S (5.2, 10.2, 5.323) [0.256, 0.5023, 0.2621]\n", + " PeriodicSite: S (5.438, 10.5, 15.45) [0.2677, 0.5169, 0.7605]\n", + " PeriodicSite: S (14.83, 20.06, 5.333) [0.7299, 0.9876, 0.2626]\n", + " PeriodicSite: S (15.52, 0.3267, 15.17) [0.7643, 0.01608, 0.7468]\n", + " PeriodicSite: S (15.7, 10.33, 5.014) [0.7732, 0.5086, 0.2468]\n", + " PeriodicSite: S (15.66, 10.26, 15.29) [0.771, 0.5053, 0.7526]\n", + " PeriodicSite: S (4.98, 5.479, 20.26) [0.2452, 0.2697, 0.9974]\n", + " PeriodicSite: S (5.281, 4.923, 10.41) [0.26, 0.2424, 0.5126]\n", + " PeriodicSite: S (4.711, 14.85, 0.4562) [0.2319, 0.7309, 0.02246]\n", + " PeriodicSite: S (5.108, 15.29, 9.968) [0.2515, 0.7525, 0.4907]\n", + " PeriodicSite: S (14.96, 4.618, 0.1568) [0.7363, 0.2273, 0.007725]\n", + " PeriodicSite: S (14.97, 5.155, 10.12) [0.7369, 0.2538, 0.4982]\n", + " PeriodicSite: S (15.25, 15.54, 0.0372) [0.7505, 0.765, 0.001837]\n", + " PeriodicSite: S (14.9, 15.58, 10.24) [0.7333, 0.7669, 0.5042]\n", + " PeriodicSite: S (8.575, 3.907, 8.773) [0.4221, 0.1923, 0.4319]\n", + " PeriodicSite: S (8.615, 3.752, 19.56) [0.4242, 0.1847, 0.9628]\n", + " PeriodicSite: S (9.081, 14.14, 9.12) [0.4471, 0.6961, 0.449]\n", + " PeriodicSite: S (8.489, 14.3, 19.14) [0.4179, 0.7041, 0.9421]\n", + " PeriodicSite: S (19.13, 4.145, 9.113) [0.9416, 0.204, 0.4487]\n", + " PeriodicSite: S (19.2, 3.613, 18.87) [0.9452, 0.1778, 0.9289]\n", + " PeriodicSite: S (19.09, 13.92, 9.007) [0.9399, 0.6853, 0.4434]\n", + " PeriodicSite: S (18.92, 13.97, 19.07) [0.9315, 0.6877, 0.9391]\n", + " PeriodicSite: S (3.763, 1.293, 1.406) [0.1852, 0.06367, 0.0692]\n", + " PeriodicSite: S (3.834, 1.125, 11.51) [0.1888, 0.05539, 0.5666]\n", + " PeriodicSite: S (3.605, 11.22, 1.074) [0.1775, 0.5523, 0.05287]\n", + " PeriodicSite: S (4.069, 11.36, 11.52) [0.2003, 0.5593, 0.5671]\n", + " PeriodicSite: S (13.98, 1.163, 1.254) [0.6881, 0.05723, 0.06175]\n", + " PeriodicSite: S (13.76, 1.468, 11.16) [0.6773, 0.07229, 0.5495]\n", + " PeriodicSite: S (13.82, 11.27, 0.7923) [0.6805, 0.5547, 0.03901]\n", + " PeriodicSite: S (14.05, 11.31, 11.67) [0.6917, 0.5569, 0.5744]\n", + " PeriodicSite: S (6.011, 1.116, 8.933) [0.2959, 0.05493, 0.4398]\n", + " PeriodicSite: S (6.157, 0.8717, 19.34) [0.3031, 0.04291, 0.9521]\n", + " PeriodicSite: S (6.278, 11.31, 8.897) [0.3091, 0.5566, 0.438]\n", + " PeriodicSite: S (5.839, 11.45, 18.98) [0.2875, 0.5635, 0.9345]\n", + " PeriodicSite: S (16.28, 1.413, 9.192) [0.8014, 0.06953, 0.4526]\n", + " PeriodicSite: S (16.36, 1.417, 19.26) [0.8056, 0.06977, 0.9479]\n", + " PeriodicSite: S (16.46, 11.26, 9.218) [0.8101, 0.5543, 0.4538]\n", + " PeriodicSite: S (16.57, 11.12, 19.14) [0.816, 0.5473, 0.9425]\n", + " PeriodicSite: S (1.438, 3.591, 0.7252) [0.07079, 0.1768, 0.0357]\n", + " PeriodicSite: S (0.9926, 4.097, 11.31) [0.04887, 0.2017, 0.5567]\n", + " PeriodicSite: S (1.025, 13.75, 1.005) [0.05046, 0.6768, 0.04948]\n", + " PeriodicSite: S (1.262, 14.35, 11.26) [0.06215, 0.7065, 0.5546]\n", + " PeriodicSite: S (11.18, 4.046, 1.529) [0.5505, 0.1992, 0.07527]\n", + " PeriodicSite: S (10.98, 3.757, 11.16) [0.5406, 0.1849, 0.5495]\n", + " PeriodicSite: S (11.23, 14.26, 0.8274) [0.5528, 0.7019, 0.04074]\n", + " PeriodicSite: S (11.62, 14.3, 11.34) [0.5721, 0.704, 0.5583]\n", + " PeriodicSite: S (2.565, 2.467, 17.43) [0.1263, 0.1215, 0.858]\n", + " PeriodicSite: S (2.796, 12.5, 7.839) [0.1377, 0.6156, 0.3859]\n", + " PeriodicSite: S (12.59, 2.529, 7.71) [0.6199, 0.1245, 0.3796]\n", + " PeriodicSite: S (9.003, 9.224, 4.079) [0.4432, 0.4541, 0.2008]\n", + " PeriodicSite: S (9.634, 8.948, 14.01) [0.4743, 0.4405, 0.6899]\n", + " PeriodicSite: S (8.657, 18.77, 3.869) [0.4262, 0.9241, 0.1905]\n", + " PeriodicSite: S (9.003, 19.59, 13.74) [0.4432, 0.9646, 0.6765]\n", + " PeriodicSite: S (19.41, 8.853, 3.683) [0.9558, 0.4359, 0.1813]\n", + " PeriodicSite: S (19.43, 9.184, 14.1) [0.9565, 0.4521, 0.694]\n", + " PeriodicSite: S (19.11, 18.37, 4.336) [0.9408, 0.9045, 0.2135]\n", + " PeriodicSite: S (19.19, 19.04, 13.89) [0.9445, 0.9375, 0.6839]\n", + " PeriodicSite: S (3.578, 5.921, 6.472) [0.1761, 0.2915, 0.3186]\n", + " PeriodicSite: S (4.02, 6.303, 16.6) [0.1979, 0.3103, 0.8171]\n", + " PeriodicSite: S (3.938, 16.43, 6.417) [0.1939, 0.8087, 0.3159]\n", + " PeriodicSite: S (3.943, 16.81, 16.58) [0.1941, 0.8276, 0.8162]\n", + " PeriodicSite: S (14.08, 5.994, 6.146) [0.6931, 0.2951, 0.3026]\n", + " PeriodicSite: S (13.62, 6.204, 16.64) [0.6703, 0.3054, 0.8194]\n", + " PeriodicSite: S (13.86, 16.16, 5.954) [0.6825, 0.7954, 0.2931]\n", + " PeriodicSite: S (14.17, 16.43, 16.48) [0.6975, 0.8089, 0.8115]\n", + " PeriodicSite: S (6.092, 6.784, 4.457) [0.2999, 0.334, 0.2194]\n", + " PeriodicSite: S (6.215, 6.674, 14.03) [0.306, 0.3285, 0.6906]\n", + " PeriodicSite: S (6.178, 16.05, 4.059) [0.3042, 0.7904, 0.1998]\n", + " PeriodicSite: S (6.055, 16.47, 13.92) [0.2981, 0.8109, 0.6855]\n", + " PeriodicSite: S (16.35, 5.867, 3.587) [0.8049, 0.2888, 0.1766]\n", + " PeriodicSite: S (16.21, 6.86, 14.52) [0.798, 0.3377, 0.715]\n", + " PeriodicSite: S (16.27, 16.35, 3.826) [0.8008, 0.8051, 0.1884]\n", + " PeriodicSite: S (16.46, 16.09, 14.01) [0.8105, 0.7922, 0.6899]\n", + " PeriodicSite: S (1.305, 8.978, 6.14) [0.06426, 0.442, 0.3023]\n", + " PeriodicSite: S (1.277, 9.507, 16.67) [0.06288, 0.468, 0.8208]\n", + " PeriodicSite: S (1.205, 18.99, 6.507) [0.05934, 0.9351, 0.3204]\n", + " PeriodicSite: S (0.7177, 18.73, 16.6) [0.03533, 0.9219, 0.8172]\n", + " PeriodicSite: S (11.4, 8.934, 5.991) [0.5611, 0.4398, 0.295]\n", + " PeriodicSite: S (11.86, 9.357, 16.48) [0.5841, 0.4607, 0.8112]\n", + " PeriodicSite: S (11.3, 19.18, 6.287) [0.5565, 0.9443, 0.3095]\n", + " PeriodicSite: S (11.39, 19.29, 16.2) [0.5607, 0.9497, 0.7977]\n", + " PeriodicSite: S (2.312, 17.71, 2.447) [0.1138, 0.872, 0.1205]\n", + " PeriodicSite: S (2.401, 17.8, 12.91) [0.1182, 0.8761, 0.6356]\n", + " PeriodicSite: S (12.73, 7.751, 12.79) [0.6266, 0.3816, 0.6295]\n", + " PeriodicSite: S (12.77, 17.93, 2.485) [0.6288, 0.8827, 0.1223]\n", + " PeriodicSite: S (3.862, 4.394, 3.703) [0.1901, 0.2163, 0.1823]\n", + " PeriodicSite: S (3.955, 4.074, 14.03) [0.1947, 0.2006, 0.6909]\n", + " PeriodicSite: S (3.562, 14.03, 4.112) [0.1754, 0.6909, 0.2024]\n", + " PeriodicSite: S (4.158, 13.92, 14.55) [0.2047, 0.6855, 0.7164]\n", + " PeriodicSite: S (14.16, 3.539, 3.779) [0.6972, 0.1742, 0.1861]\n", + " PeriodicSite: S (14.45, 4.051, 14.2) [0.7112, 0.1994, 0.6992]\n", + " PeriodicSite: S (13.97, 13.6, 4.039) [0.6878, 0.6694, 0.1988]\n", + " PeriodicSite: S (14.14, 13.86, 14.02) [0.6961, 0.6825, 0.6902]\n", + " PeriodicSite: S (8.571, 0.9124, 6.255) [0.422, 0.04492, 0.3079]\n", + " PeriodicSite: S (8.918, 1.183, 16.53) [0.4391, 0.05822, 0.8138]\n", + " PeriodicSite: S (9.133, 11.58, 6.372) [0.4496, 0.5701, 0.3137]\n", + " PeriodicSite: S (9.105, 11.29, 16.7) [0.4482, 0.556, 0.8224]\n", + " PeriodicSite: S (18.87, 0.8482, 6.053) [0.9289, 0.04175, 0.298]\n", + " PeriodicSite: S (18.9, 1.044, 16.08) [0.9303, 0.05137, 0.7919]\n", + " PeriodicSite: S (19.18, 11.2, 6.284) [0.9443, 0.5516, 0.3094]\n", + " PeriodicSite: S (19.35, 12.04, 15.84) [0.9526, 0.5926, 0.78]\n", + " PeriodicSite: S (1.064, 0.8416, 4.015) [0.05239, 0.04143, 0.1977]\n", + " PeriodicSite: S (1.443, 0.7417, 14.31) [0.07106, 0.03652, 0.7047]\n", + " PeriodicSite: S (1.129, 11.08, 3.673) [0.05557, 0.5455, 0.1808]\n", + " PeriodicSite: S (1.586, 11.39, 13.87) [0.07806, 0.561, 0.6826]\n", + " PeriodicSite: S (10.83, 0.8274, 3.63) [0.5333, 0.04073, 0.1787]\n", + " PeriodicSite: S (11.23, 1.671, 14.09) [0.5531, 0.08228, 0.6939]\n", + " PeriodicSite: S (11.52, 11.55, 3.896) [0.5674, 0.5687, 0.1918]\n", + " PeriodicSite: S (11.47, 11.67, 14.25) [0.5648, 0.5748, 0.7014]\n", + " PeriodicSite: S (6.225, 3.887, 6.014) [0.3065, 0.1913, 0.2961]\n", + " PeriodicSite: S (6.345, 3.881, 16.18) [0.3124, 0.191, 0.7965]\n", + " PeriodicSite: S (6.007, 13.72, 6.364) [0.2957, 0.6757, 0.3133]\n", + " PeriodicSite: S (6.615, 14.77, 16.67) [0.3257, 0.7273, 0.8206]\n", + " PeriodicSite: S (16.45, 3.705, 6.238) [0.8099, 0.1824, 0.3071]\n", + " PeriodicSite: S (16.41, 4.248, 16.7) [0.8078, 0.2091, 0.8222]\n", + " PeriodicSite: S (16.54, 14.13, 6.227) [0.8141, 0.6957, 0.3066]\n", + " PeriodicSite: S (16.45, 13.96, 16.52) [0.8101, 0.6872, 0.8132]\n", + " PeriodicSite: S (7.493, 2.228, 12.52) [0.3689, 0.1097, 0.6163]\n", + " PeriodicSite: S (7.532, 12.99, 2.699) [0.3708, 0.6396, 0.1329]\n", + " PeriodicSite: S (17.81, 2.318, 2.652) [0.8766, 0.1141, 0.1306]\n", + " PeriodicSite: S (17.87, 12.71, 2.523) [0.8796, 0.6256, 0.1242]\n", + " PeriodicSite: S (17.88, 12.95, 12.75) [0.8801, 0.6374, 0.6279]\n", + " PeriodicSite: S (4.085, 8.738, 9.258) [0.2011, 0.4302, 0.4558]\n", + " PeriodicSite: S (3.906, 8.944, 18.97) [0.1923, 0.4403, 0.9339]\n", + " PeriodicSite: S (3.604, 18.87, 9.073) [0.1774, 0.9292, 0.4467]\n", + " PeriodicSite: S (3.326, 19.23, 19.42) [0.1637, 0.9465, 0.9563]\n", + " PeriodicSite: S (14.06, 9.025, 9.133) [0.6923, 0.4443, 0.4496]\n", + " PeriodicSite: S (14.19, 8.632, 19.12) [0.6985, 0.425, 0.9413]\n", + " PeriodicSite: S (13.85, 19.32, 9.156) [0.682, 0.9513, 0.4508]\n", + " PeriodicSite: S (13.68, 19.35, 19.1) [0.6733, 0.9526, 0.9405]\n", + " PeriodicSite: S (8.51, 6.066, 1.598) [0.419, 0.2986, 0.07865]\n", + " PeriodicSite: S (8.6, 6.297, 10.87) [0.4234, 0.31, 0.5353]\n", + " PeriodicSite: S (8.691, 16.61, 1.009) [0.4279, 0.8179, 0.0497]\n", + " PeriodicSite: S (9.461, 16.83, 11.32) [0.4658, 0.8286, 0.5571]\n", + " PeriodicSite: S (19.08, 6.054, 1.036) [0.9395, 0.298, 0.05103]\n", + " PeriodicSite: S (19.27, 6.906, 11.26) [0.9489, 0.34, 0.5544]\n", + " PeriodicSite: S (19.14, 16.51, 0.8045) [0.9424, 0.8127, 0.03961]\n", + " PeriodicSite: S (18.78, 16.42, 11.21) [0.9248, 0.8082, 0.5518]\n", + " PeriodicSite: S (1.555, 6.317, 9.007) [0.07654, 0.311, 0.4434]\n", + " PeriodicSite: S (1.218, 6.319, 19.18) [0.05997, 0.3111, 0.9443]\n", + " PeriodicSite: S (0.8696, 16.7, 8.813) [0.0428, 0.822, 0.4339]\n", + " PeriodicSite: S (1.153, 16.05, 18.84) [0.05677, 0.79, 0.9275]\n", + " PeriodicSite: S (11.11, 6.285, 8.852) [0.547, 0.3094, 0.4358]\n", + " PeriodicSite: S (10.85, 6.5, 19.7) [0.5343, 0.32, 0.9696]\n", + " PeriodicSite: S (11.54, 16.44, 8.784) [0.568, 0.8095, 0.4325]\n", + " PeriodicSite: S (10.98, 16.72, 18.86) [0.5408, 0.8232, 0.9287]\n", + " PeriodicSite: S (6.242, 9.1, 1.351) [0.3073, 0.448, 0.06652]\n", + " PeriodicSite: S (6.658, 9.174, 11.3) [0.3278, 0.4517, 0.5565]\n", + " PeriodicSite: S (5.936, 18.83, 1.417) [0.2922, 0.927, 0.06976]\n", + " PeriodicSite: S (6.052, 19.09, 11.49) [0.2979, 0.9399, 0.5657]\n", + " PeriodicSite: S (16.09, 9.018, 1.527) [0.792, 0.4439, 0.07519]\n", + " PeriodicSite: S (16.42, 8.811, 11.48) [0.8082, 0.4338, 0.565]\n", + " PeriodicSite: S (16.28, 19.12, 0.8143) [0.8016, 0.9414, 0.0401]\n", + " PeriodicSite: S (16.28, 19.36, 11.57) [0.8014, 0.953, 0.5698]\n", + " PeriodicSite: S (7.547, 7.697, 17.88) [0.3715, 0.3789, 0.8802]\n", + " PeriodicSite: S (7.513, 17.66, 7.481) [0.3699, 0.8694, 0.3683]\n", + " PeriodicSite: S (17.85, 7.437, 7.631) [0.8789, 0.3661, 0.3757]\n", + " PeriodicSite: S (17.34, 17.63, 7.667) [0.8539, 0.8679, 0.3775]\n", + " PeriodicSite: P (4.847, 20.2, 0.2159) [0.2386, 0.9946, 0.01063]\n", + " PeriodicSite: P (4.73, 20.1, 10.14) [0.2329, 0.9896, 0.4994]\n", + " PeriodicSite: P (5.042, 10.11, 0.04796) [0.2482, 0.4976, 0.002363]\n", + " PeriodicSite: P (5.175, 10.08, 10.24) [0.2547, 0.4962, 0.5039]\n", + " PeriodicSite: P (15.1, 0.121, 20.15) [0.7435, 0.005949, 0.9921]\n", + " PeriodicSite: P (15.07, 0.1497, 10.35) [0.7419, 0.007364, 0.5093]\n", + " PeriodicSite: P (15.18, 10.01, 20.29) [0.7473, 0.4926, 0.9987]\n", + " PeriodicSite: P (15.23, 10.1, 10.36) [0.7497, 0.497, 0.5099]\n", + " PeriodicSite: P (4.945, 5.266, 5.115) [0.2434, 0.2592, 0.2518]\n", + " PeriodicSite: P (5.232, 5.316, 15.16) [0.2576, 0.2617, 0.7464]\n", + " PeriodicSite: P (4.91, 15.05, 5.333) [0.2417, 0.7408, 0.2625]\n", + " PeriodicSite: P (5.079, 15.51, 15.44) [0.25, 0.7635, 0.7603]\n", + " PeriodicSite: P (15.21, 4.729, 4.979) [0.7486, 0.2328, 0.2451]\n", + " PeriodicSite: P (15.18, 5.398, 15.53) [0.7472, 0.2657, 0.7644]\n", + " PeriodicSite: P (15.21, 15.01, 4.931) [0.7488, 0.739, 0.2428]\n", + " PeriodicSite: P (15.23, 15.13, 15.39) [0.7496, 0.7448, 0.7578]\n", + " PeriodicSite: P (20.23, 19.85, 5.222) [0.9959, 0.9773, 0.2571]\n", + " PeriodicSite: P (20.31, 20.06, 15.28) [0.9999, 0.9876, 0.7521]\n", + " PeriodicSite: P (20.3, 10.14, 5.018) [0.9996, 0.4993, 0.247]\n", + " PeriodicSite: P (0.3808, 10.6, 15.17) [0.01875, 0.5221, 0.7469]\n", + " PeriodicSite: P (9.851, 20.03, 5.103) [0.485, 0.9863, 0.2512]\n", + " PeriodicSite: P (10.18, 0.2974, 15.19) [0.5014, 0.01464, 0.748]\n", + " PeriodicSite: P (10.35, 10.41, 5.052) [0.5093, 0.5122, 0.2487]\n", + " PeriodicSite: P (10.42, 10.42, 15.43) [0.513, 0.5127, 0.7598]\n", + " PeriodicSite: P (20.3, 4.87, 20.08) [0.9995, 0.2398, 0.9887]\n", + " PeriodicSite: P (0.07573, 5.477, 10.24) [0.003729, 0.2697, 0.5041]\n", + " PeriodicSite: P (0.01162, 14.97, 20.09) [0.0005705, 0.737, 0.9893]\n", + " PeriodicSite: P (20.14, 15.32, 10.15) [0.9917, 0.7544, 0.4997]\n", + " PeriodicSite: P (9.759, 4.984, 0.4525) [0.4805, 0.2454, 0.02228]\n", + " PeriodicSite: P (9.818, 5.064, 9.889) [0.4833, 0.2493, 0.4868]\n", + " PeriodicSite: P (9.869, 15.48, 20.11) [0.4858, 0.7619, 0.9901]\n", + " PeriodicSite: P (10.39, 15.41, 10.21) [0.5117, 0.7588, 0.5028],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.563, 4.961, 3.123) [0.07697, 0.2442, 0.1537]\n", + " PeriodicSite: Li (2.876, 2.052, 15.3) [0.1416, 0.101, 0.7531]\n", + " PeriodicSite: Li (0.4737, 11.03, 7.707) [0.02332, 0.543, 0.3794]\n", + " PeriodicSite: Li (0.8096, 13.82, 16.92) [0.03986, 0.6806, 0.8329]\n", + " PeriodicSite: Li (14.04, 1.032, 7.397) [0.6911, 0.0508, 0.3642]\n", + " PeriodicSite: Li (12.27, 3.949, 16.11) [0.6039, 0.1944, 0.7929]\n", + " PeriodicSite: Li (17.05, 12.58, 4.95) [0.8393, 0.6195, 0.2437]\n", + " PeriodicSite: Li (17.77, 8.436, 15.72) [0.8748, 0.4153, 0.7738]\n", + " PeriodicSite: Li (6.028, 4.309, 8.597) [0.2968, 0.2122, 0.4233]\n", + " PeriodicSite: Li (1.98, 1.817, 19.99) [0.09749, 0.08944, 0.984]\n", + " PeriodicSite: Li (5.183, 7.731, 6.454) [0.2552, 0.3806, 0.3177]\n", + " PeriodicSite: Li (7.052, 10.25, 17.17) [0.3472, 0.5047, 0.8451]\n", + " PeriodicSite: Li (11.44, 4.821, 6.78) [0.5631, 0.2373, 0.3338]\n", + " PeriodicSite: Li (12.74, 2.703, 0.04637) [0.6273, 0.1331, 0.002286]\n", + " PeriodicSite: Li (12.18, 9.895, 11.93) [0.5996, 0.4871, 0.5876]\n", + " PeriodicSite: Li (10.16, 18.43, 18.09) [0.5002, 0.9075, 0.8904]\n", + " PeriodicSite: Li (5.068, 1.867, 7.173) [0.2495, 0.0919, 0.3532]\n", + " PeriodicSite: Li (2.927, 19.97, 16.64) [0.1441, 0.9834, 0.8191]\n", + " PeriodicSite: Li (3.924, 10.25, 7.719) [0.1932, 0.5045, 0.38]\n", + " PeriodicSite: Li (7.341, 10.25, 13.46) [0.3614, 0.5048, 0.6625]\n", + " PeriodicSite: Li (11.96, 0.6912, 9.39) [0.5886, 0.03402, 0.4623]\n", + " PeriodicSite: Li (10.76, 1.05, 17.97) [0.5299, 0.0517, 0.8846]\n", + " PeriodicSite: Li (13.77, 15.16, 8.277) [0.678, 0.7465, 0.4075]\n", + " PeriodicSite: Li (12.26, 10.51, 19.41) [0.6036, 0.5173, 0.9555]\n", + " PeriodicSite: Li (1.715, 4.606, 6.948) [0.08443, 0.2268, 0.3421]\n", + " PeriodicSite: Li (0.2983, 2.873, 17.23) [0.01469, 0.1414, 0.8482]\n", + " PeriodicSite: Li (0.8621, 14.29, 7.26) [0.04244, 0.7033, 0.3574]\n", + " PeriodicSite: Li (4.439, 13.09, 19.51) [0.2185, 0.6445, 0.9604]\n", + " PeriodicSite: Li (12.71, 2.221, 5.415) [0.6257, 0.1093, 0.2666]\n", + " PeriodicSite: Li (13.68, 0.1578, 17.04) [0.6737, 0.007764, 0.839]\n", + " PeriodicSite: Li (10.53, 11.42, 8.398) [0.5182, 0.562, 0.4134]\n", + " PeriodicSite: Li (15.51, 17.61, 19.23) [0.7633, 0.8672, 0.9466]\n", + " PeriodicSite: Li (7.131, 0.4982, 4.387) [0.3511, 0.02452, 0.216]\n", + " PeriodicSite: Li (2.197, 19.13, 1.207) [0.1082, 0.9419, 0.0594]\n", + " PeriodicSite: Li (3.029, 14.39, 9.505) [0.1491, 0.7085, 0.4679]\n", + " PeriodicSite: Li (2.232, 16.24, 14.39) [0.1099, 0.7993, 0.7086]\n", + " PeriodicSite: Li (14.44, 4.322, 7.707) [0.7107, 0.2128, 0.3794]\n", + " PeriodicSite: Li (15.31, 3.305, 18.87) [0.7538, 0.1627, 0.929]\n", + " PeriodicSite: Li (16.83, 15.52, 8.381) [0.8284, 0.764, 0.4126]\n", + " PeriodicSite: Li (10.54, 12.4, 18.54) [0.5188, 0.6107, 0.9128]\n", + " PeriodicSite: Li (4.859, 1.964, 3.566) [0.2392, 0.09668, 0.1755]\n", + " PeriodicSite: Li (4.909, 2.285, 17.4) [0.2417, 0.1125, 0.8567]\n", + " PeriodicSite: Li (3.126, 11.99, 5.499) [0.1539, 0.5903, 0.2707]\n", + " PeriodicSite: Li (19.94, 13.22, 3.333) [0.9819, 0.651, 0.1641]\n", + " PeriodicSite: Li (10.08, 2.214, 8.024) [0.4962, 0.109, 0.395]\n", + " PeriodicSite: Li (17.0, 0.4071, 17.2) [0.8369, 0.02003, 0.8468]\n", + " PeriodicSite: Li (15.42, 12.13, 2.968) [0.7593, 0.5973, 0.1461]\n", + " PeriodicSite: Li (14.75, 8.579, 16.43) [0.726, 0.4223, 0.8087]\n", + " PeriodicSite: Li (3.47, 11.88, 15.75) [0.1709, 0.5849, 0.7753]\n", + " PeriodicSite: Li (2.077, 11.87, 10.31) [0.1023, 0.5846, 0.5074]\n", + " PeriodicSite: Li (20.22, 17.21, 2.504) [0.9955, 0.8471, 0.1233]\n", + " PeriodicSite: Li (2.069, 0.8385, 9.41) [0.1019, 0.04128, 0.4633]\n", + " PeriodicSite: Li (12.86, 5.174, 2.62) [0.6332, 0.2547, 0.129]\n", + " PeriodicSite: Li (11.87, 7.231, 14.73) [0.5844, 0.356, 0.725]\n", + " PeriodicSite: Li (10.85, 14.05, 7.372) [0.534, 0.6919, 0.3629]\n", + " PeriodicSite: Li (14.04, 19.59, 13.51) [0.6911, 0.9642, 0.6653]\n", + " PeriodicSite: Li (3.109, 6.915, 0.261) [0.1531, 0.3404, 0.01285]\n", + " PeriodicSite: Li (2.998, 4.641, 9.644) [0.1476, 0.2285, 0.4748]\n", + " PeriodicSite: Li (7.027, 16.25, 19.0) [0.346, 0.8001, 0.9353]\n", + " PeriodicSite: Li (5.139, 18.24, 15.44) [0.253, 0.8978, 0.76]\n", + " PeriodicSite: Li (15.01, 6.84, 2.277) [0.739, 0.3367, 0.1121]\n", + " PeriodicSite: Li (10.27, 7.843, 12.01) [0.5057, 0.3861, 0.5915]\n", + " PeriodicSite: Li (13.34, 18.11, 4.903) [0.6568, 0.8914, 0.2414]\n", + " PeriodicSite: Li (10.55, 17.51, 13.3) [0.5194, 0.8619, 0.6548]\n", + " PeriodicSite: Li (2.237, 10.53, 19.02) [0.1101, 0.5183, 0.9364]\n", + " PeriodicSite: Li (4.269, 6.685, 12.01) [0.2101, 0.3291, 0.5913]\n", + " PeriodicSite: Li (4.597, 17.17, 1.718) [0.2263, 0.8452, 0.0846]\n", + " PeriodicSite: Li (2.692, 17.42, 10.29) [0.1325, 0.8577, 0.5067]\n", + " PeriodicSite: Li (11.4, 8.105, 0.8412) [0.5614, 0.399, 0.04142]\n", + " PeriodicSite: Li (12.7, 5.304, 12.07) [0.6251, 0.2611, 0.594]\n", + " PeriodicSite: Li (11.86, 15.49, 3.969) [0.5838, 0.7627, 0.1954]\n", + " PeriodicSite: Li (14.05, 15.82, 12.83) [0.6916, 0.7788, 0.6318]\n", + " PeriodicSite: Li (0.575, 8.938, 1.711) [0.0283, 0.44, 0.08423]\n", + " PeriodicSite: Li (17.2, 6.051, 10.08) [0.8466, 0.2979, 0.4963]\n", + " PeriodicSite: Li (1.952, 16.21, 4.768) [0.09609, 0.798, 0.2347]\n", + " PeriodicSite: Li (1.08, 19.53, 12.02) [0.05315, 0.9616, 0.5916]\n", + " PeriodicSite: Li (10.43, 7.537, 4.041) [0.5137, 0.371, 0.1989]\n", + " PeriodicSite: Li (14.82, 8.876, 13.35) [0.7296, 0.437, 0.6572]\n", + " PeriodicSite: Li (13.02, 15.82, 0.0589) [0.6408, 0.7789, 0.002904]\n", + " PeriodicSite: Li (12.11, 14.71, 15.96) [0.5964, 0.7242, 0.7856]\n", + " PeriodicSite: Li (6.227, 9.213, 3.574) [0.3066, 0.4536, 0.176]\n", + " PeriodicSite: Li (20.16, 12.73, 13.26) [0.9923, 0.6268, 0.653]\n", + " PeriodicSite: Li (18.41, 16.68, 5.652) [0.9066, 0.8213, 0.2782]\n", + " PeriodicSite: Li (3.672, 19.77, 13.48) [0.1808, 0.9733, 0.6636]\n", + " PeriodicSite: Li (17.28, 10.22, 3.12) [0.8508, 0.5033, 0.1536]\n", + " PeriodicSite: Li (13.09, 6.96, 10.04) [0.6443, 0.3426, 0.4944]\n", + " PeriodicSite: Li (11.65, 19.79, 1.454) [0.5734, 0.9744, 0.07157]\n", + " PeriodicSite: Li (13.11, 16.63, 10.5) [0.6454, 0.8187, 0.5169]\n", + " PeriodicSite: Li (3.363, 4.623, 18.99) [0.1655, 0.2276, 0.9347]\n", + " PeriodicSite: Li (3.894, 9.868, 13.49) [0.1917, 0.4858, 0.6639]\n", + " PeriodicSite: Li (3.281, 19.38, 3.672) [0.1615, 0.954, 0.1808]\n", + " PeriodicSite: Li (0.2781, 16.99, 13.04) [0.01369, 0.8362, 0.642]\n", + " PeriodicSite: Li (13.43, 9.592, 4.32) [0.6613, 0.4722, 0.2127]\n", + " PeriodicSite: Li (14.95, 6.523, 12.43) [0.7361, 0.3211, 0.6122]\n", + " PeriodicSite: Li (14.71, 17.0, 1.917) [0.7242, 0.8368, 0.0944]\n", + " PeriodicSite: Li (0.05988, 5.526, 13.3) [0.002949, 0.2721, 0.655]\n", + " PeriodicSite: Li (9.539, 3.457, 3.183) [0.4696, 0.1702, 0.1567]\n", + " PeriodicSite: Li (9.758, 2.471, 12.7) [0.4804, 0.1217, 0.6254]\n", + " PeriodicSite: Li (7.06, 11.48, 4.76) [0.3476, 0.5651, 0.2344]\n", + " PeriodicSite: Li (6.433, 12.32, 14.85) [0.3167, 0.6064, 0.7311]\n", + " PeriodicSite: Li (19.34, 2.303, 4.869) [0.9522, 0.1133, 0.2397]\n", + " PeriodicSite: Li (12.73, 3.418, 9.811) [0.6265, 0.1683, 0.483]\n", + " PeriodicSite: Li (18.86, 12.27, 0.2768) [0.9283, 0.604, 0.01363]\n", + " PeriodicSite: Li (17.53, 10.03, 12.97) [0.8631, 0.4939, 0.6386]\n", + " PeriodicSite: Li (4.943, 18.64, 5.849) [0.2433, 0.9178, 0.288]\n", + " PeriodicSite: Li (8.467, 3.753, 15.01) [0.4168, 0.1847, 0.7388]\n", + " PeriodicSite: Li (7.339, 13.09, 0.06973) [0.3613, 0.6442, 0.003436]\n", + " PeriodicSite: Li (9.845, 13.57, 13.22) [0.4847, 0.6681, 0.6508]\n", + " PeriodicSite: Li (13.48, 19.97, 3.603) [0.6635, 0.9833, 0.1774]\n", + " PeriodicSite: Li (19.57, 2.561, 11.41) [0.9636, 0.1261, 0.5618]\n", + " PeriodicSite: Li (16.81, 15.1, 2.034) [0.8277, 0.7434, 0.1001]\n", + " PeriodicSite: Li (17.28, 14.34, 11.17) [0.8508, 0.706, 0.5498]\n", + " PeriodicSite: Li (7.699, 5.484, 5.782) [0.379, 0.27, 0.2847]\n", + " PeriodicSite: Li (7.672, 0.9334, 14.72) [0.3777, 0.04595, 0.7246]\n", + " PeriodicSite: Li (10.15, 13.04, 2.616) [0.4996, 0.6418, 0.1288]\n", + " PeriodicSite: Li (5.551, 13.31, 11.73) [0.2733, 0.6553, 0.5776]\n", + " PeriodicSite: Li (20.15, 1.95, 1.99) [0.9921, 0.09597, 0.09795]\n", + " PeriodicSite: Li (0.3369, 8.295, 11.84) [0.01659, 0.4084, 0.583]\n", + " PeriodicSite: Li (15.47, 12.81, 0.3093) [0.7615, 0.6305, 0.01523]\n", + " PeriodicSite: Li (15.64, 12.3, 13.38) [0.77, 0.6054, 0.6587]\n", + " PeriodicSite: Li (2.504, 0.5933, 6.161) [0.1233, 0.02921, 0.3033]\n", + " PeriodicSite: Li (5.572, 2.364, 14.26) [0.2743, 0.1164, 0.702]\n", + " PeriodicSite: Li (4.922, 12.91, 2.14) [0.2423, 0.6355, 0.1053]\n", + " PeriodicSite: Li (8.634, 7.311, 15.28) [0.4251, 0.3599, 0.7524]\n", + " PeriodicSite: Li (18.52, 4.624, 3.762) [0.9116, 0.2277, 0.1852]\n", + " PeriodicSite: Li (17.29, 0.1459, 13.17) [0.8513, 0.007174, 0.6484]\n", + " PeriodicSite: Li (14.61, 14.35, 18.12) [0.7194, 0.7063, 0.8919]\n", + " PeriodicSite: Li (18.84, 12.14, 10.37) [0.9273, 0.5977, 0.5104]\n", + " PeriodicSite: Li (6.89, 3.7, 0.03698) [0.3392, 0.1821, 0.001823]\n", + " PeriodicSite: Li (5.573, 2.63, 10.97) [0.2744, 0.1295, 0.5402]\n", + " PeriodicSite: Li (8.431, 10.6, 1.424) [0.4151, 0.5217, 0.07013]\n", + " PeriodicSite: Li (8.03, 10.97, 10.71) [0.3953, 0.5403, 0.5271]\n", + " PeriodicSite: Li (16.27, 1.973, 4.605) [0.8011, 0.09712, 0.2267]\n", + " PeriodicSite: Li (15.53, 3.617, 11.67) [0.7646, 0.178, 0.5744]\n", + " PeriodicSite: Li (20.16, 7.829, 18.06) [0.9926, 0.3854, 0.8891]\n", + " PeriodicSite: Li (18.12, 13.41, 14.72) [0.8923, 0.6601, 0.7245]\n", + " PeriodicSite: Li (7.862, 0.7791, 0.4433) [0.3871, 0.03835, 0.02182]\n", + " PeriodicSite: Li (7.738, 0.4479, 11.04) [0.3809, 0.02205, 0.5434]\n", + " PeriodicSite: Li (7.682, 14.28, 4.314) [0.3782, 0.7031, 0.2124]\n", + " PeriodicSite: Li (4.51, 16.24, 12.42) [0.222, 0.7996, 0.6116]\n", + " PeriodicSite: Li (15.53, 3.224, 1.893) [0.7645, 0.1587, 0.09318]\n", + " PeriodicSite: Li (1.33, 7.481, 15.29) [0.06549, 0.3683, 0.7529]\n", + " PeriodicSite: Li (4.666, 13.09, 8.765) [0.2297, 0.6445, 0.4315]\n", + " PeriodicSite: Li (13.43, 13.11, 10.53) [0.6613, 0.6454, 0.5186]\n", + " PeriodicSite: Li (14.31, 12.39, 5.745) [0.7046, 0.6098, 0.2828]\n", + " PeriodicSite: Li (5.381, 8.396, 15.76) [0.2649, 0.4133, 0.7761]\n", + " PeriodicSite: Li (7.043, 16.78, 10.22) [0.3467, 0.8259, 0.503]\n", + " PeriodicSite: Li (3.792, 16.67, 18.98) [0.1867, 0.8206, 0.9344]\n", + " PeriodicSite: Li (15.78, 10.08, 7.222) [0.7769, 0.4962, 0.3555]\n", + " PeriodicSite: Li (2.243, 4.712, 16.61) [0.1104, 0.232, 0.8177]\n", + " PeriodicSite: Li (17.15, 19.26, 5.127) [0.8442, 0.9483, 0.2524]\n", + " PeriodicSite: Li (19.93, 18.3, 18.98) [0.9812, 0.9009, 0.9344]\n", + " PeriodicSite: Li (7.274, 9.847, 7.063) [0.3581, 0.4848, 0.3477]\n", + " PeriodicSite: Li (9.31, 5.834, 17.63) [0.4584, 0.2872, 0.8679]\n", + " PeriodicSite: Li (7.087, 19.77, 7.497) [0.3489, 0.9734, 0.3691]\n", + " PeriodicSite: Li (8.23, 16.17, 16.0) [0.4052, 0.7961, 0.7877]\n", + " PeriodicSite: Li (17.99, 9.367, 9.279) [0.8856, 0.4611, 0.4568]\n", + " PeriodicSite: Li (17.15, 5.289, 0.9338) [0.8445, 0.2604, 0.04598]\n", + " PeriodicSite: Li (17.78, 20.12, 8.711) [0.8755, 0.9906, 0.4289]\n", + " PeriodicSite: Li (19.09, 17.03, 15.74) [0.9398, 0.8386, 0.7747]\n", + " PeriodicSite: Li (6.478, 7.064, 9.639) [0.3189, 0.3478, 0.4745]\n", + " PeriodicSite: Li (5.576, 6.509, 18.1) [0.2745, 0.3204, 0.8909]\n", + " PeriodicSite: Li (9.624, 18.36, 8.31) [0.4738, 0.9038, 0.4091]\n", + " PeriodicSite: Li (13.53, 11.38, 15.93) [0.6661, 0.5601, 0.7843]\n", + " PeriodicSite: Li (19.8, 8.186, 7.425) [0.9749, 0.403, 0.3655]\n", + " PeriodicSite: Li (18.39, 5.106, 17.11) [0.9054, 0.2514, 0.8425]\n", + " PeriodicSite: Li (16.11, 17.62, 10.26) [0.7932, 0.8673, 0.505]\n", + " PeriodicSite: Li (17.26, 15.58, 18.95) [0.8496, 0.7669, 0.9332]\n", + " PeriodicSite: Li (9.912, 7.634, 7.724) [0.488, 0.3758, 0.3803]\n", + " PeriodicSite: Li (4.861, 5.343, 2.201) [0.2393, 0.263, 0.1084]\n", + " PeriodicSite: Li (5.054, 16.87, 8.452) [0.2488, 0.8307, 0.4161]\n", + " PeriodicSite: Li (6.933, 15.36, 2.013) [0.3413, 0.7564, 0.0991]\n", + " PeriodicSite: Li (15.31, 6.894, 8.261) [0.7538, 0.3394, 0.4067]\n", + " PeriodicSite: Li (17.45, 8.768, 19.42) [0.8592, 0.4317, 0.956]\n", + " PeriodicSite: Li (15.22, 18.31, 6.889) [0.7491, 0.9016, 0.3391]\n", + " PeriodicSite: Li (15.35, 18.1, 15.98) [0.7555, 0.8913, 0.7867]\n", + " PeriodicSite: Li (6.873, 4.889, 12.09) [0.3384, 0.2407, 0.5954]\n", + " PeriodicSite: Li (7.142, 6.65, 20.12) [0.3516, 0.3274, 0.9906]\n", + " PeriodicSite: Li (8.153, 16.82, 5.711) [0.4014, 0.8281, 0.2812]\n", + " PeriodicSite: Li (10.3, 17.62, 2.975) [0.507, 0.8676, 0.1465]\n", + " PeriodicSite: Li (17.24, 8.222, 5.382) [0.8487, 0.4048, 0.265]\n", + " PeriodicSite: Li (13.83, 6.403, 19.34) [0.6807, 0.3152, 0.952]\n", + " PeriodicSite: Li (19.84, 17.89, 8.332) [0.9769, 0.8806, 0.4102]\n", + " PeriodicSite: Li (17.85, 0.4852, 0.8265) [0.8787, 0.02388, 0.0407]\n", + " PeriodicSite: Li (3.068, 9.155, 4.107) [0.151, 0.4507, 0.2022]\n", + " PeriodicSite: Li (9.692, 8.435, 18.45) [0.4771, 0.4153, 0.9083]\n", + " PeriodicSite: Li (7.027, 14.78, 8.574) [0.3459, 0.7279, 0.4221]\n", + " PeriodicSite: Li (6.707, 20.22, 17.08) [0.3302, 0.9956, 0.8407]\n", + " PeriodicSite: Li (18.22, 5.302, 7.158) [0.8971, 0.261, 0.3524]\n", + " PeriodicSite: Li (16.63, 11.64, 16.69) [0.8189, 0.573, 0.8216]\n", + " PeriodicSite: Li (2.609, 15.37, 1.664) [0.1285, 0.7569, 0.08195]\n", + " PeriodicSite: Li (15.62, 2.349, 14.67) [0.7691, 0.1156, 0.722]\n", + " PeriodicSite: Cl (7.696, 12.22, 12.66) [0.3789, 0.6014, 0.6234]\n", + " PeriodicSite: Cl (2.686, 12.8, 17.71) [0.1322, 0.6304, 0.8717]\n", + " PeriodicSite: Cl (13.02, 17.71, 12.77) [0.6408, 0.872, 0.6288]\n", + " PeriodicSite: Cl (17.93, 7.273, 17.79) [0.8826, 0.3581, 0.8756]\n", + " PeriodicSite: Cl (7.367, 2.11, 2.433) [0.3627, 0.1039, 0.1198]\n", + " PeriodicSite: Cl (7.477, 7.507, 7.59) [0.3681, 0.3696, 0.3737]\n", + " PeriodicSite: Cl (12.9, 12.78, 8.064) [0.6353, 0.629, 0.397]\n", + " PeriodicSite: Cl (2.659, 7.314, 2.575) [0.1309, 0.3601, 0.1268]\n", + " PeriodicSite: Cl (2.465, 7.85, 13.03) [0.1214, 0.3865, 0.6413]\n", + " PeriodicSite: Cl (12.79, 12.83, 17.82) [0.6295, 0.6318, 0.8771]\n", + " PeriodicSite: Cl (17.13, 17.55, 17.53) [0.8435, 0.8638, 0.8629]\n", + " PeriodicSite: Cl (2.677, 2.567, 7.843) [0.1318, 0.1264, 0.3861]\n", + " PeriodicSite: Cl (12.89, 2.582, 18.11) [0.6347, 0.1271, 0.8913]\n", + " PeriodicSite: Cl (12.49, 7.463, 2.719) [0.6149, 0.3674, 0.1338]\n", + " PeriodicSite: Cl (17.36, 3.024, 12.84) [0.8547, 0.1488, 0.632]\n", + " PeriodicSite: Cl (7.658, 18.05, 17.39) [0.377, 0.8887, 0.8563]\n", + " PeriodicSite: Cl (20.2, 0.01752, 0.2921) [0.9946, 0.000853, 0.01439]\n", + " PeriodicSite: Cl (20.18, 0.2508, 9.942) [0.9934, 0.01234, 0.4895]\n", + " PeriodicSite: Cl (20.26, 10.0, 19.79) [0.9974, 0.4925, 0.9744]\n", + " PeriodicSite: Cl (0.1282, 10.2, 10.1) [0.006307, 0.5019, 0.4974]\n", + " PeriodicSite: Cl (10.04, 0.1919, 19.91) [0.4942, 0.009444, 0.9802]\n", + " PeriodicSite: Cl (9.717, 0.02234, 9.478) [0.4784, 0.001096, 0.4666]\n", + " PeriodicSite: Cl (10.14, 10.11, 20.07) [0.4994, 0.4977, 0.9879]\n", + " PeriodicSite: Cl (9.971, 9.987, 10.04) [0.4909, 0.4917, 0.4945]\n", + " PeriodicSite: Cl (20.24, 4.796, 5.427) [0.9964, 0.2361, 0.2672]\n", + " PeriodicSite: Cl (0.1748, 5.212, 15.63) [0.008607, 0.2566, 0.7694]\n", + " PeriodicSite: Cl (0.01524, 14.98, 5.237) [0.000745, 0.7373, 0.2578]\n", + " PeriodicSite: Cl (0.276, 15.03, 14.9) [0.01358, 0.7402, 0.7335]\n", + " PeriodicSite: Cl (10.02, 5.36, 4.873) [0.4934, 0.2639, 0.2399]\n", + " PeriodicSite: Cl (10.55, 5.471, 15.43) [0.5195, 0.2693, 0.7596]\n", + " PeriodicSite: Cl (9.819, 15.05, 4.68) [0.4834, 0.7409, 0.2304]\n", + " PeriodicSite: Cl (10.34, 15.93, 14.82) [0.5089, 0.7844, 0.7298]\n", + " PeriodicSite: S (4.689, 0.4456, 5.461) [0.2309, 0.02194, 0.2688]\n", + " PeriodicSite: S (5.033, 0.5964, 15.52) [0.2478, 0.02936, 0.7643]\n", + " PeriodicSite: S (5.013, 10.2, 5.42) [0.2468, 0.502, 0.2668]\n", + " PeriodicSite: S (5.378, 10.43, 15.1) [0.2648, 0.5136, 0.7435]\n", + " PeriodicSite: S (15.04, 20.11, 5.192) [0.7405, 0.9902, 0.2556]\n", + " PeriodicSite: S (15.43, 0.07239, 15.26) [0.7598, 0.003558, 0.7511]\n", + " PeriodicSite: S (15.61, 10.38, 4.77) [0.7684, 0.5108, 0.2348]\n", + " PeriodicSite: S (15.71, 10.42, 15.11) [0.7733, 0.5129, 0.7439]\n", + " PeriodicSite: S (5.164, 5.242, 20.21) [0.2542, 0.2581, 0.9949]\n", + " PeriodicSite: S (5.15, 5.172, 10.41) [0.2536, 0.2546, 0.5127]\n", + " PeriodicSite: S (5.007, 15.14, 0.3953) [0.2465, 0.7452, 0.01946]\n", + " PeriodicSite: S (5.225, 15.05, 10.23) [0.2572, 0.7412, 0.5037]\n", + " PeriodicSite: S (14.74, 5.01, 0.463) [0.7254, 0.2466, 0.0228]\n", + " PeriodicSite: S (14.75, 5.283, 10.04) [0.7259, 0.2601, 0.4945]\n", + " PeriodicSite: S (15.26, 15.36, 0.0147) [0.7512, 0.7563, 0.0007291]\n", + " PeriodicSite: S (15.22, 15.11, 10.11) [0.7493, 0.7437, 0.4975]\n", + " PeriodicSite: S (8.74, 4.191, 8.323) [0.4303, 0.2063, 0.4098]\n", + " PeriodicSite: S (9.038, 4.171, 19.06) [0.4449, 0.2053, 0.9385]\n", + " PeriodicSite: S (9.28, 13.63, 9.549) [0.4569, 0.671, 0.4701]\n", + " PeriodicSite: S (8.73, 14.23, 19.13) [0.4298, 0.7003, 0.9416]\n", + " PeriodicSite: S (18.71, 4.022, 9.512) [0.9211, 0.198, 0.4683]\n", + " PeriodicSite: S (19.09, 3.802, 19.18) [0.9398, 0.1872, 0.944]\n", + " PeriodicSite: S (18.9, 13.98, 8.925) [0.9305, 0.6884, 0.4394]\n", + " PeriodicSite: S (18.99, 13.78, 18.81) [0.9347, 0.6782, 0.926]\n", + " PeriodicSite: S (3.455, 1.005, 1.642) [0.1701, 0.04948, 0.08083]\n", + " PeriodicSite: S (3.595, 0.828, 11.46) [0.177, 0.04076, 0.5641]\n", + " PeriodicSite: S (3.778, 10.72, 1.17) [0.186, 0.5275, 0.05758]\n", + " PeriodicSite: S (4.181, 11.1, 11.36) [0.2058, 0.5464, 0.5594]\n", + " PeriodicSite: S (13.88, 1.155, 1.319) [0.6832, 0.05685, 0.06494]\n", + " PeriodicSite: S (13.73, 1.606, 11.29) [0.6761, 0.07905, 0.5556]\n", + " PeriodicSite: S (13.74, 11.13, 1.195) [0.6767, 0.5481, 0.05885]\n", + " PeriodicSite: S (14.25, 11.09, 11.53) [0.7015, 0.5461, 0.5679]\n", + " PeriodicSite: S (6.308, 0.9828, 9.371) [0.3105, 0.04838, 0.4613]\n", + " PeriodicSite: S (5.968, 1.443, 19.27) [0.2938, 0.07104, 0.9488]\n", + " PeriodicSite: S (6.522, 11.05, 8.938) [0.3211, 0.5441, 0.44]\n", + " PeriodicSite: S (6.2, 11.55, 19.28) [0.3053, 0.5684, 0.9493]\n", + " PeriodicSite: S (15.92, 1.541, 8.75) [0.7836, 0.07588, 0.4308]\n", + " PeriodicSite: S (16.41, 1.182, 19.28) [0.8078, 0.05821, 0.9492]\n", + " PeriodicSite: S (16.61, 11.3, 8.996) [0.8178, 0.5562, 0.4429]\n", + " PeriodicSite: S (16.61, 11.09, 19.42) [0.8179, 0.546, 0.9562]\n", + " PeriodicSite: S (1.334, 3.774, 1.171) [0.06567, 0.1858, 0.05765]\n", + " PeriodicSite: S (1.288, 4.394, 11.47) [0.06341, 0.2163, 0.5645]\n", + " PeriodicSite: S (0.7495, 14.08, 1.138) [0.03689, 0.693, 0.05603]\n", + " PeriodicSite: S (1.152, 13.66, 11.31) [0.05673, 0.6726, 0.557]\n", + " PeriodicSite: S (11.07, 3.764, 1.246) [0.545, 0.1853, 0.06135]\n", + " PeriodicSite: S (10.75, 3.657, 10.96) [0.5292, 0.18, 0.5398]\n", + " PeriodicSite: S (11.19, 14.4, 1.028) [0.5509, 0.7088, 0.0506]\n", + " PeriodicSite: S (11.72, 14.53, 11.61) [0.5768, 0.7155, 0.5715]\n", + " PeriodicSite: S (2.732, 2.662, 17.52) [0.1345, 0.131, 0.8628]\n", + " PeriodicSite: S (2.461, 12.53, 7.983) [0.1211, 0.617, 0.393]\n", + " PeriodicSite: S (12.44, 2.599, 7.715) [0.6123, 0.128, 0.3798]\n", + " PeriodicSite: S (8.928, 9.327, 3.521) [0.4395, 0.4592, 0.1734]\n", + " PeriodicSite: S (9.308, 9.006, 14.22) [0.4582, 0.4434, 0.6999]\n", + " PeriodicSite: S (8.935, 19.02, 3.814) [0.4398, 0.9363, 0.1878]\n", + " PeriodicSite: S (9.398, 19.82, 13.89) [0.4627, 0.9759, 0.6839]\n", + " PeriodicSite: S (19.47, 8.584, 3.63) [0.9588, 0.4226, 0.1787]\n", + " PeriodicSite: S (19.52, 9.104, 14.09) [0.9611, 0.4482, 0.6939]\n", + " PeriodicSite: S (19.23, 18.55, 4.273) [0.947, 0.913, 0.2104]\n", + " PeriodicSite: S (19.19, 18.87, 13.83) [0.945, 0.9288, 0.681]\n", + " PeriodicSite: S (3.46, 6.1, 6.001) [0.1703, 0.3003, 0.2955]\n", + " PeriodicSite: S (3.909, 6.503, 16.56) [0.1924, 0.3201, 0.8151]\n", + " PeriodicSite: S (3.853, 16.43, 6.495) [0.1897, 0.8086, 0.3198]\n", + " PeriodicSite: S (3.816, 16.52, 16.32) [0.1879, 0.8135, 0.8034]\n", + " PeriodicSite: S (14.21, 6.236, 6.192) [0.6994, 0.307, 0.3048]\n", + " PeriodicSite: S (13.62, 6.116, 16.77) [0.6706, 0.3011, 0.8255]\n", + " PeriodicSite: S (13.52, 16.17, 6.163) [0.6655, 0.7961, 0.3034]\n", + " PeriodicSite: S (14.13, 16.27, 16.61) [0.6958, 0.8011, 0.8176]\n", + " PeriodicSite: S (6.121, 6.227, 3.982) [0.3013, 0.3066, 0.196]\n", + " PeriodicSite: S (6.423, 6.414, 14.19) [0.3162, 0.3158, 0.6987]\n", + " PeriodicSite: S (6.154, 16.54, 4.055) [0.3029, 0.8143, 0.1996]\n", + " PeriodicSite: S (6.528, 16.64, 14.23) [0.3214, 0.819, 0.7006]\n", + " PeriodicSite: S (16.56, 6.097, 3.956) [0.8155, 0.3002, 0.1948]\n", + " PeriodicSite: S (16.2, 6.892, 14.53) [0.7975, 0.3393, 0.7151]\n", + " PeriodicSite: S (16.13, 16.51, 3.955) [0.7941, 0.8129, 0.1947]\n", + " PeriodicSite: S (16.43, 16.4, 14.18) [0.8091, 0.8075, 0.698]\n", + " PeriodicSite: S (1.383, 8.916, 5.996) [0.0681, 0.439, 0.2952]\n", + " PeriodicSite: S (1.485, 9.309, 16.76) [0.07309, 0.4583, 0.825]\n", + " PeriodicSite: S (1.237, 18.83, 6.65) [0.06087, 0.927, 0.3274]\n", + " PeriodicSite: S (0.6148, 18.83, 16.62) [0.03026, 0.9268, 0.8181]\n", + " PeriodicSite: S (11.32, 9.201, 6.012) [0.5573, 0.453, 0.296]\n", + " PeriodicSite: S (11.65, 9.577, 16.55) [0.5736, 0.4715, 0.815]\n", + " PeriodicSite: S (11.38, 19.14, 6.241) [0.56, 0.9423, 0.3073]\n", + " PeriodicSite: S (11.49, 19.44, 16.44) [0.5657, 0.9571, 0.8093]\n", + " PeriodicSite: S (2.411, 17.48, 2.701) [0.1187, 0.8608, 0.133]\n", + " PeriodicSite: S (2.44, 17.67, 12.57) [0.1201, 0.8699, 0.6186]\n", + " PeriodicSite: S (12.64, 7.569, 12.46) [0.6222, 0.3726, 0.6134]\n", + " PeriodicSite: S (12.7, 17.73, 2.523) [0.6254, 0.8729, 0.1242]\n", + " PeriodicSite: S (3.66, 3.929, 3.777) [0.1802, 0.1934, 0.186]\n", + " PeriodicSite: S (3.865, 4.275, 13.94) [0.1903, 0.2105, 0.6864]\n", + " PeriodicSite: S (3.481, 14.36, 4.223) [0.1714, 0.707, 0.2079]\n", + " PeriodicSite: S (4.128, 14.19, 13.9) [0.2032, 0.6988, 0.6845]\n", + " PeriodicSite: S (14.18, 3.532, 3.972) [0.6981, 0.1739, 0.1955]\n", + " PeriodicSite: S (14.01, 4.302, 13.96) [0.6898, 0.2118, 0.6872]\n", + " PeriodicSite: S (14.08, 13.88, 3.877) [0.6931, 0.6831, 0.1909]\n", + " PeriodicSite: S (14.05, 13.97, 14.45) [0.6918, 0.6878, 0.7112]\n", + " PeriodicSite: S (8.745, 0.8611, 6.277) [0.4305, 0.04239, 0.309]\n", + " PeriodicSite: S (8.99, 1.705, 16.63) [0.4426, 0.08391, 0.8188]\n", + " PeriodicSite: S (9.045, 11.48, 6.22) [0.4453, 0.5651, 0.3062]\n", + " PeriodicSite: S (9.107, 11.76, 16.4) [0.4483, 0.5789, 0.8075]\n", + " PeriodicSite: S (19.08, 0.6416, 6.607) [0.9391, 0.03158, 0.3253]\n", + " PeriodicSite: S (18.97, 1.29, 16.11) [0.934, 0.06351, 0.7929]\n", + " PeriodicSite: S (19.02, 10.99, 5.848) [0.9365, 0.5412, 0.2879]\n", + " PeriodicSite: S (19.27, 11.79, 15.94) [0.9488, 0.5807, 0.7849]\n", + " PeriodicSite: S (1.071, 0.6322, 4.226) [0.05275, 0.03112, 0.208]\n", + " PeriodicSite: S (1.325, 0.7678, 14.22) [0.06526, 0.0378, 0.7]\n", + " PeriodicSite: S (1.335, 11.21, 3.612) [0.06573, 0.5518, 0.1778]\n", + " PeriodicSite: S (1.579, 11.57, 13.97) [0.07772, 0.5696, 0.6877]\n", + " PeriodicSite: S (11.11, 1.44, 3.854) [0.5468, 0.07091, 0.1897]\n", + " PeriodicSite: S (11.56, 2.041, 14.59) [0.569, 0.1005, 0.718]\n", + " PeriodicSite: S (11.52, 11.37, 3.606) [0.5671, 0.56, 0.1775]\n", + " PeriodicSite: S (11.64, 11.58, 14.02) [0.5731, 0.57, 0.6901]\n", + " PeriodicSite: S (6.077, 3.66, 6.136) [0.2992, 0.1802, 0.3021]\n", + " PeriodicSite: S (6.357, 3.988, 16.3) [0.313, 0.1964, 0.8023]\n", + " PeriodicSite: S (6.136, 14.05, 6.442) [0.3021, 0.6916, 0.3172]\n", + " PeriodicSite: S (6.065, 14.25, 16.53) [0.2986, 0.7018, 0.814]\n", + " PeriodicSite: S (16.54, 3.69, 6.239) [0.8145, 0.1817, 0.3071]\n", + " PeriodicSite: S (16.17, 4.15, 16.56) [0.796, 0.2043, 0.8151]\n", + " PeriodicSite: S (16.25, 14.14, 6.367) [0.8002, 0.696, 0.3135]\n", + " PeriodicSite: S (16.74, 14.29, 16.7) [0.824, 0.7037, 0.8222]\n", + " PeriodicSite: S (7.57, 2.668, 12.92) [0.3727, 0.1313, 0.6361]\n", + " PeriodicSite: S (7.415, 12.88, 2.541) [0.365, 0.6339, 0.1251]\n", + " PeriodicSite: S (18.14, 2.397, 2.922) [0.8929, 0.118, 0.1439]\n", + " PeriodicSite: S (17.62, 12.63, 2.296) [0.8674, 0.6216, 0.1131]\n", + " PeriodicSite: S (17.88, 12.48, 12.5) [0.8804, 0.6144, 0.6154]\n", + " PeriodicSite: S (4.314, 8.461, 9.219) [0.2124, 0.4166, 0.4539]\n", + " PeriodicSite: S (4.149, 8.933, 18.96) [0.2043, 0.4398, 0.9335]\n", + " PeriodicSite: S (3.611, 19.18, 8.9) [0.1778, 0.9445, 0.4381]\n", + " PeriodicSite: S (3.333, 19.18, 19.26) [0.1641, 0.9441, 0.9481]\n", + " PeriodicSite: S (14.05, 9.287, 8.689) [0.6916, 0.4572, 0.4278]\n", + " PeriodicSite: S (14.07, 8.882, 19.1) [0.6929, 0.4372, 0.9405]\n", + " PeriodicSite: S (13.78, 19.45, 9.076) [0.6785, 0.9578, 0.4468]\n", + " PeriodicSite: S (13.73, 19.35, 19.07) [0.6757, 0.9525, 0.9388]\n", + " PeriodicSite: S (9.07, 6.403, 1.566) [0.4465, 0.3152, 0.07711]\n", + " PeriodicSite: S (8.805, 6.377, 11.06) [0.4335, 0.314, 0.5444]\n", + " PeriodicSite: S (8.925, 16.63, 0.8719) [0.4394, 0.8185, 0.04293]\n", + " PeriodicSite: S (9.213, 16.5, 11.21) [0.4536, 0.8125, 0.5517]\n", + " PeriodicSite: S (19.37, 6.117, 1.376) [0.9534, 0.3011, 0.06773]\n", + " PeriodicSite: S (19.14, 6.67, 11.54) [0.9425, 0.3284, 0.5681]\n", + " PeriodicSite: S (18.78, 16.53, 0.6889) [0.9247, 0.814, 0.03392]\n", + " PeriodicSite: S (19.02, 16.04, 11.43) [0.9366, 0.7898, 0.5629]\n", + " PeriodicSite: S (0.9869, 6.093, 8.649) [0.04859, 0.3, 0.4258]\n", + " PeriodicSite: S (1.295, 5.914, 18.94) [0.06374, 0.2912, 0.9324]\n", + " PeriodicSite: S (1.069, 16.09, 8.857) [0.05264, 0.7922, 0.436]\n", + " PeriodicSite: S (1.073, 16.3, 18.98) [0.05281, 0.8024, 0.9343]\n", + " PeriodicSite: S (11.38, 6.048, 8.746) [0.5601, 0.2977, 0.4306]\n", + " PeriodicSite: S (11.13, 6.442, 19.39) [0.5482, 0.3172, 0.9546]\n", + " PeriodicSite: S (11.42, 16.19, 8.711) [0.5624, 0.7971, 0.4289]\n", + " PeriodicSite: S (11.21, 16.37, 18.73) [0.5517, 0.806, 0.922]\n", + " PeriodicSite: S (6.732, 8.966, 0.9331) [0.3314, 0.4414, 0.04594]\n", + " PeriodicSite: S (6.7, 8.827, 11.52) [0.3299, 0.4346, 0.5672]\n", + " PeriodicSite: S (6.109, 19.13, 0.9385) [0.3007, 0.9416, 0.04621]\n", + " PeriodicSite: S (5.949, 18.77, 11.46) [0.2929, 0.9239, 0.564]\n", + " PeriodicSite: S (16.23, 8.575, 1.159) [0.7991, 0.4221, 0.05708]\n", + " PeriodicSite: S (16.53, 8.736, 11.27) [0.8136, 0.4301, 0.5548]\n", + " PeriodicSite: S (16.15, 18.77, 1.044) [0.7949, 0.9242, 0.05142]\n", + " PeriodicSite: S (16.26, 19.68, 11.3) [0.8007, 0.9689, 0.5563]\n", + " PeriodicSite: S (7.577, 7.867, 17.64) [0.373, 0.3873, 0.8684]\n", + " PeriodicSite: S (7.462, 17.22, 7.942) [0.3673, 0.8479, 0.391]\n", + " PeriodicSite: S (17.45, 7.517, 7.882) [0.859, 0.3701, 0.3881]\n", + " PeriodicSite: S (17.38, 17.81, 7.973) [0.8557, 0.8767, 0.3925]\n", + " PeriodicSite: P (4.638, 20.29, 0.1555) [0.2283, 0.9989, 0.00766]\n", + " PeriodicSite: P (4.912, 20.03, 10.35) [0.2418, 0.9862, 0.5093]\n", + " PeriodicSite: P (5.218, 10.03, 20.23) [0.2569, 0.4937, 0.9961]\n", + " PeriodicSite: P (5.341, 9.877, 10.23) [0.2629, 0.4862, 0.5038]\n", + " PeriodicSite: P (14.98, 20.23, 0.09004) [0.7376, 0.9961, 0.004439]\n", + " PeriodicSite: P (14.95, 0.436, 10.13) [0.7361, 0.02146, 0.4986]\n", + " PeriodicSite: P (15.15, 10.04, 0.09299) [0.746, 0.4943, 0.004583]\n", + " PeriodicSite: P (15.33, 10.11, 10.04) [0.7549, 0.4977, 0.4945]\n", + " PeriodicSite: P (4.884, 4.957, 5.045) [0.2404, 0.2441, 0.2484]\n", + " PeriodicSite: P (5.077, 5.174, 15.27) [0.25, 0.2547, 0.7518]\n", + " PeriodicSite: P (4.987, 15.29, 5.228) [0.2455, 0.7527, 0.2574]\n", + " PeriodicSite: P (5.193, 15.42, 15.26) [0.2557, 0.7592, 0.7514]\n", + " PeriodicSite: P (15.32, 4.922, 5.108) [0.754, 0.2423, 0.2515]\n", + " PeriodicSite: P (15.06, 5.447, 15.47) [0.7413, 0.2681, 0.7618]\n", + " PeriodicSite: P (15.06, 15.18, 5.099) [0.7414, 0.7471, 0.2511]\n", + " PeriodicSite: P (15.42, 15.2, 15.39) [0.7592, 0.7483, 0.7575]\n", + " PeriodicSite: P (20.23, 19.87, 5.435) [0.9961, 0.9781, 0.2676]\n", + " PeriodicSite: P (20.1, 20.18, 15.27) [0.9895, 0.9936, 0.7519]\n", + " PeriodicSite: P (0.1333, 9.969, 4.795) [0.006557, 0.4908, 0.2361]\n", + " PeriodicSite: P (0.3258, 10.38, 15.28) [0.01604, 0.5111, 0.7524]\n", + " PeriodicSite: P (10.23, 20.21, 5.036) [0.5038, 0.995, 0.2479]\n", + " PeriodicSite: P (10.34, 0.5428, 15.36) [0.5088, 0.02672, 0.7561]\n", + " PeriodicSite: P (10.13, 10.39, 4.798) [0.4986, 0.5117, 0.2362]\n", + " PeriodicSite: P (10.36, 10.49, 15.3) [0.5099, 0.5165, 0.7531]\n", + " PeriodicSite: P (0.05315, 4.882, 0.03368) [0.002615, 0.2403, 0.001658]\n", + " PeriodicSite: P (20.16, 5.257, 10.22) [0.9927, 0.2588, 0.503]\n", + " PeriodicSite: P (20.02, 15.22, 20.11) [0.9855, 0.7493, 0.99]\n", + " PeriodicSite: P (20.23, 14.98, 10.18) [0.9958, 0.7377, 0.5012]\n", + " PeriodicSite: P (10.06, 5.231, 0.1808) [0.495, 0.2575, 0.008905]\n", + " PeriodicSite: P (9.839, 5.041, 9.861) [0.4844, 0.2482, 0.4854]\n", + " PeriodicSite: P (10.02, 15.44, 20.1) [0.4931, 0.76, 0.9897]\n", + " PeriodicSite: P (10.34, 15.22, 10.21) [0.5091, 0.7491, 0.5027],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.135, 4.923, 3.388) [0.05586, 0.2424, 0.1668]\n", + " PeriodicSite: Li (2.529, 2.199, 15.06) [0.1245, 0.1082, 0.7412]\n", + " PeriodicSite: Li (0.584, 11.01, 8.003) [0.02875, 0.5421, 0.394]\n", + " PeriodicSite: Li (0.8967, 14.24, 17.14) [0.04414, 0.7012, 0.8439]\n", + " PeriodicSite: Li (13.75, 0.3852, 7.323) [0.677, 0.01896, 0.3605]\n", + " PeriodicSite: Li (12.02, 4.307, 15.74) [0.5916, 0.212, 0.7749]\n", + " PeriodicSite: Li (17.14, 11.9, 5.231) [0.8439, 0.5858, 0.2575]\n", + " PeriodicSite: Li (17.64, 8.614, 15.54) [0.8686, 0.4241, 0.7648]\n", + " PeriodicSite: Li (6.103, 4.328, 8.574) [0.3004, 0.2131, 0.4221]\n", + " PeriodicSite: Li (1.606, 1.1, 19.85) [0.07909, 0.05415, 0.9771]\n", + " PeriodicSite: Li (5.499, 7.839, 6.358) [0.2707, 0.3859, 0.313]\n", + " PeriodicSite: Li (6.964, 10.25, 17.14) [0.3428, 0.5048, 0.844]\n", + " PeriodicSite: Li (11.39, 4.684, 6.723) [0.5606, 0.2306, 0.331]\n", + " PeriodicSite: Li (13.3, 3.505, 20.18) [0.6547, 0.1725, 0.9937]\n", + " PeriodicSite: Li (12.22, 10.25, 12.0) [0.6018, 0.5046, 0.5906]\n", + " PeriodicSite: Li (10.07, 18.56, 19.06) [0.4958, 0.9139, 0.9383]\n", + " PeriodicSite: Li (5.067, 1.686, 7.103) [0.2494, 0.08301, 0.3497]\n", + " PeriodicSite: Li (2.451, 0.1628, 16.77) [0.1207, 0.008015, 0.8256]\n", + " PeriodicSite: Li (3.521, 9.999, 6.882) [0.1733, 0.4923, 0.3388]\n", + " PeriodicSite: Li (6.702, 9.789, 13.61) [0.3299, 0.4819, 0.6702]\n", + " PeriodicSite: Li (11.99, 0.9701, 9.619) [0.5901, 0.04775, 0.4736]\n", + " PeriodicSite: Li (10.63, 2.129, 18.22) [0.5233, 0.1048, 0.8968]\n", + " PeriodicSite: Li (14.22, 14.92, 7.981) [0.7, 0.7348, 0.3929]\n", + " PeriodicSite: Li (12.33, 10.46, 19.09) [0.6071, 0.5148, 0.9396]\n", + " PeriodicSite: Li (1.92, 4.57, 6.767) [0.09451, 0.225, 0.3332]\n", + " PeriodicSite: Li (20.08, 2.243, 17.87) [0.9884, 0.1104, 0.8795]\n", + " PeriodicSite: Li (0.8594, 14.14, 7.128) [0.0423, 0.6959, 0.3509]\n", + " PeriodicSite: Li (4.803, 13.9, 18.54) [0.2365, 0.6842, 0.9128]\n", + " PeriodicSite: Li (13.38, 1.889, 5.386) [0.6588, 0.093, 0.2652]\n", + " PeriodicSite: Li (13.61, 0.7217, 16.84) [0.6701, 0.03552, 0.8289]\n", + " PeriodicSite: Li (10.81, 10.77, 8.277) [0.5324, 0.5303, 0.4075]\n", + " PeriodicSite: Li (15.42, 17.31, 19.46) [0.7593, 0.8521, 0.958]\n", + " PeriodicSite: Li (7.082, 0.3782, 4.567) [0.3487, 0.01862, 0.2249]\n", + " PeriodicSite: Li (2.31, 18.59, 0.4714) [0.1137, 0.9152, 0.02321]\n", + " PeriodicSite: Li (3.097, 13.89, 9.918) [0.1525, 0.6838, 0.4883]\n", + " PeriodicSite: Li (2.472, 16.11, 14.46) [0.1217, 0.793, 0.7119]\n", + " PeriodicSite: Li (14.54, 3.688, 7.855) [0.716, 0.1816, 0.3867]\n", + " PeriodicSite: Li (15.53, 3.833, 18.56) [0.7646, 0.1887, 0.9135]\n", + " PeriodicSite: Li (17.34, 15.29, 8.188) [0.8539, 0.7526, 0.4031]\n", + " PeriodicSite: Li (10.06, 12.15, 17.95) [0.4955, 0.5983, 0.8837]\n", + " PeriodicSite: Li (4.974, 1.789, 3.243) [0.2449, 0.08809, 0.1597]\n", + " PeriodicSite: Li (4.569, 1.88, 17.57) [0.2249, 0.09255, 0.8648]\n", + " PeriodicSite: Li (2.625, 12.16, 5.234) [0.1293, 0.5989, 0.2577]\n", + " PeriodicSite: Li (19.75, 12.63, 2.858) [0.9722, 0.6218, 0.1407]\n", + " PeriodicSite: Li (10.26, 1.917, 7.692) [0.5052, 0.09438, 0.3787]\n", + " PeriodicSite: Li (17.1, 0.06498, 17.36) [0.842, 0.003192, 0.8547]\n", + " PeriodicSite: Li (15.3, 11.98, 3.242) [0.7531, 0.5897, 0.1596]\n", + " PeriodicSite: Li (15.08, 8.276, 16.13) [0.7422, 0.4074, 0.794]\n", + " PeriodicSite: Li (3.573, 12.6, 15.38) [0.1759, 0.6205, 0.7569]\n", + " PeriodicSite: Li (2.258, 11.13, 9.711) [0.1111, 0.5482, 0.4781]\n", + " PeriodicSite: Li (0.1194, 17.36, 2.499) [0.005871, 0.8544, 0.123]\n", + " PeriodicSite: Li (1.937, 2.053, 10.06) [0.09539, 0.1011, 0.4951]\n", + " PeriodicSite: Li (12.82, 5.111, 2.472) [0.6311, 0.2516, 0.1217]\n", + " PeriodicSite: Li (11.66, 7.249, 14.7) [0.5742, 0.3569, 0.7235]\n", + " PeriodicSite: Li (11.01, 14.3, 7.042) [0.5423, 0.7039, 0.3467]\n", + " PeriodicSite: Li (14.21, 19.74, 12.96) [0.6998, 0.9717, 0.638]\n", + " PeriodicSite: Li (3.597, 6.942, 0.0612) [0.1771, 0.3418, 0.003014]\n", + " PeriodicSite: Li (2.948, 5.369, 10.19) [0.1452, 0.2643, 0.5015]\n", + " PeriodicSite: Li (6.692, 16.44, 19.49) [0.3295, 0.8094, 0.9595]\n", + " PeriodicSite: Li (5.552, 18.02, 16.21) [0.2733, 0.8873, 0.7978]\n", + " PeriodicSite: Li (15.22, 7.467, 2.294) [0.7493, 0.3676, 0.113]\n", + " PeriodicSite: Li (10.48, 7.826, 11.44) [0.516, 0.3853, 0.5631]\n", + " PeriodicSite: Li (13.23, 18.58, 5.212) [0.6512, 0.915, 0.2566]\n", + " PeriodicSite: Li (10.79, 17.05, 13.24) [0.5311, 0.8392, 0.6519]\n", + " PeriodicSite: Li (2.832, 10.67, 17.93) [0.1394, 0.5255, 0.8827]\n", + " PeriodicSite: Li (4.731, 6.892, 11.84) [0.2329, 0.3393, 0.5828]\n", + " PeriodicSite: Li (4.992, 17.56, 2.496) [0.2458, 0.8646, 0.1229]\n", + " PeriodicSite: Li (2.422, 17.78, 10.36) [0.1192, 0.8753, 0.5101]\n", + " PeriodicSite: Li (11.07, 8.026, 0.8053) [0.5452, 0.3951, 0.03965]\n", + " PeriodicSite: Li (12.67, 5.514, 12.13) [0.6237, 0.2715, 0.5972]\n", + " PeriodicSite: Li (12.34, 15.94, 3.98) [0.6074, 0.7848, 0.1959]\n", + " PeriodicSite: Li (14.87, 15.63, 12.58) [0.732, 0.7693, 0.6193]\n", + " PeriodicSite: Li (0.05645, 8.242, 1.631) [0.002776, 0.4058, 0.08029]\n", + " PeriodicSite: Li (17.19, 6.044, 9.919) [0.8463, 0.2976, 0.4883]\n", + " PeriodicSite: Li (1.567, 17.13, 4.887) [0.07714, 0.8431, 0.2406]\n", + " PeriodicSite: Li (0.7182, 19.1, 12.56) [0.03535, 0.9403, 0.6185]\n", + " PeriodicSite: Li (10.05, 7.36, 3.799) [0.4949, 0.3624, 0.1871]\n", + " PeriodicSite: Li (14.58, 9.246, 12.97) [0.7178, 0.4552, 0.6387]\n", + " PeriodicSite: Li (13.05, 15.95, 0.9828) [0.6424, 0.7852, 0.04839]\n", + " PeriodicSite: Li (11.54, 15.35, 17.07) [0.5683, 0.7559, 0.8402]\n", + " PeriodicSite: Li (6.256, 8.645, 3.642) [0.308, 0.4256, 0.1793]\n", + " PeriodicSite: Li (0.05743, 12.93, 13.38) [0.002825, 0.6365, 0.6588]\n", + " PeriodicSite: Li (18.25, 16.9, 5.676) [0.8982, 0.8319, 0.2795]\n", + " PeriodicSite: Li (3.615, 19.55, 13.73) [0.178, 0.9624, 0.6761]\n", + " PeriodicSite: Li (17.48, 10.31, 2.759) [0.8608, 0.5075, 0.1358]\n", + " PeriodicSite: Li (12.95, 7.475, 10.16) [0.6377, 0.368, 0.5002]\n", + " PeriodicSite: Li (12.26, 19.29, 0.5839) [0.6035, 0.9496, 0.02875]\n", + " PeriodicSite: Li (13.28, 16.93, 10.27) [0.6537, 0.8332, 0.5055]\n", + " PeriodicSite: Li (3.601, 3.523, 19.86) [0.1773, 0.1734, 0.9778]\n", + " PeriodicSite: Li (3.72, 9.93, 13.64) [0.1831, 0.4889, 0.6717]\n", + " PeriodicSite: Li (3.004, 19.74, 3.38) [0.1479, 0.9717, 0.1664]\n", + " PeriodicSite: Li (0.2754, 16.36, 12.73) [0.01355, 0.8056, 0.6265]\n", + " PeriodicSite: Li (13.14, 9.223, 4.251) [0.6469, 0.4541, 0.2093]\n", + " PeriodicSite: Li (15.01, 6.626, 12.27) [0.7392, 0.3262, 0.6042]\n", + " PeriodicSite: Li (14.88, 17.84, 2.687) [0.7328, 0.8783, 0.1323]\n", + " PeriodicSite: Li (19.84, 5.173, 13.49) [0.9765, 0.2547, 0.6642]\n", + " PeriodicSite: Li (10.01, 3.009, 3.361) [0.4927, 0.1481, 0.1655]\n", + " PeriodicSite: Li (9.763, 2.602, 13.01) [0.4807, 0.1281, 0.6406]\n", + " PeriodicSite: Li (5.584, 11.85, 4.197) [0.2749, 0.5833, 0.2066]\n", + " PeriodicSite: Li (6.941, 12.02, 15.02) [0.3417, 0.5917, 0.7396]\n", + " PeriodicSite: Li (19.06, 2.252, 5.06) [0.9381, 0.1109, 0.2491]\n", + " PeriodicSite: Li (12.97, 3.92, 9.578) [0.6386, 0.193, 0.4715]\n", + " PeriodicSite: Li (18.61, 12.12, 0.01763) [0.9162, 0.5967, 0.0008742]\n", + " PeriodicSite: Li (17.54, 10.21, 13.01) [0.8636, 0.5027, 0.6404]\n", + " PeriodicSite: Li (4.858, 18.82, 6.657) [0.2392, 0.9265, 0.3277]\n", + " PeriodicSite: Li (8.49, 3.544, 15.29) [0.418, 0.1745, 0.7529]\n", + " PeriodicSite: Li (7.227, 13.43, 20.22) [0.3558, 0.6614, 0.9955]\n", + " PeriodicSite: Li (10.27, 13.93, 13.84) [0.5054, 0.6858, 0.6811]\n", + " PeriodicSite: Li (13.5, 20.09, 3.029) [0.6646, 0.989, 0.1491]\n", + " PeriodicSite: Li (19.18, 2.157, 11.14) [0.9441, 0.1062, 0.5485]\n", + " PeriodicSite: Li (17.34, 15.15, 2.039) [0.8536, 0.746, 0.1004]\n", + " PeriodicSite: Li (17.0, 14.25, 11.07) [0.837, 0.7017, 0.5451]\n", + " PeriodicSite: Li (7.769, 5.301, 5.932) [0.3825, 0.261, 0.2921]\n", + " PeriodicSite: Li (7.162, 20.28, 13.98) [0.3526, 0.9986, 0.6885]\n", + " PeriodicSite: Li (9.889, 13.45, 3.176) [0.4869, 0.662, 0.1564]\n", + " PeriodicSite: Li (5.721, 13.34, 11.43) [0.2816, 0.6568, 0.5629]\n", + " PeriodicSite: Li (20.08, 1.939, 1.936) [0.9883, 0.09547, 0.09533]\n", + " PeriodicSite: Li (0.5772, 8.63, 12.37) [0.02842, 0.4249, 0.6091]\n", + " PeriodicSite: Li (15.61, 12.79, 0.6033) [0.7684, 0.6298, 0.0297]\n", + " PeriodicSite: Li (15.65, 11.91, 13.33) [0.7702, 0.5863, 0.6562]\n", + " PeriodicSite: Li (2.891, 0.9884, 5.978) [0.1423, 0.04866, 0.2943]\n", + " PeriodicSite: Li (5.823, 2.173, 14.99) [0.2867, 0.107, 0.738]\n", + " PeriodicSite: Li (5.145, 13.37, 1.441) [0.2533, 0.6584, 0.07095]\n", + " PeriodicSite: Li (8.05, 7.457, 14.98) [0.3963, 0.3671, 0.7376]\n", + " PeriodicSite: Li (18.13, 4.54, 3.657) [0.8927, 0.2235, 0.18]\n", + " PeriodicSite: Li (17.46, 0.6603, 14.38) [0.8594, 0.0325, 0.7078]\n", + " PeriodicSite: Li (14.26, 14.28, 18.44) [0.7022, 0.7029, 0.9078]\n", + " PeriodicSite: Li (18.72, 11.91, 10.53) [0.9215, 0.5865, 0.5186]\n", + " PeriodicSite: Li (6.991, 3.654, 0.5993) [0.3442, 0.1799, 0.02951]\n", + " PeriodicSite: Li (5.284, 3.023, 12.2) [0.2601, 0.1488, 0.6004]\n", + " PeriodicSite: Li (8.075, 10.8, 1.653) [0.3975, 0.5316, 0.08139]\n", + " PeriodicSite: Li (8.413, 11.26, 10.8) [0.4142, 0.5544, 0.5318]\n", + " PeriodicSite: Li (15.97, 2.09, 4.665) [0.7864, 0.1029, 0.2297]\n", + " PeriodicSite: Li (15.87, 3.356, 11.22) [0.7811, 0.1652, 0.5526]\n", + " PeriodicSite: Li (0.1393, 8.123, 18.43) [0.006859, 0.3999, 0.9073]\n", + " PeriodicSite: Li (17.6, 13.88, 14.74) [0.8665, 0.6833, 0.7257]\n", + " PeriodicSite: Li (8.227, 0.3755, 1.116) [0.405, 0.01848, 0.05494]\n", + " PeriodicSite: Li (7.946, 0.9757, 11.35) [0.3912, 0.04803, 0.5589]\n", + " PeriodicSite: Li (7.647, 14.07, 4.595) [0.3764, 0.6924, 0.2262]\n", + " PeriodicSite: Li (4.614, 16.3, 12.16) [0.2271, 0.8024, 0.5988]\n", + " PeriodicSite: Li (15.49, 2.818, 1.706) [0.7624, 0.1387, 0.08397]\n", + " PeriodicSite: Li (2.235, 7.273, 15.09) [0.11, 0.3581, 0.7427]\n", + " PeriodicSite: Li (4.854, 13.34, 8.277) [0.2389, 0.6568, 0.4075]\n", + " PeriodicSite: Li (13.5, 13.64, 10.2) [0.6648, 0.6717, 0.5023]\n", + " PeriodicSite: Li (13.61, 12.12, 5.558) [0.6699, 0.5967, 0.2736]\n", + " PeriodicSite: Li (5.668, 8.094, 16.31) [0.2791, 0.3985, 0.8028]\n", + " PeriodicSite: Li (7.215, 17.42, 10.15) [0.3552, 0.8577, 0.4998]\n", + " PeriodicSite: Li (3.737, 16.31, 19.01) [0.184, 0.8031, 0.936]\n", + " PeriodicSite: Li (15.78, 9.687, 7.243) [0.7769, 0.4769, 0.3566]\n", + " PeriodicSite: Li (1.875, 4.697, 17.46) [0.0923, 0.2313, 0.8595]\n", + " PeriodicSite: Li (16.99, 19.0, 5.46) [0.8363, 0.9356, 0.2688]\n", + " PeriodicSite: Li (19.64, 18.04, 18.92) [0.9668, 0.8884, 0.9314]\n", + " PeriodicSite: Li (7.088, 10.29, 6.734) [0.3489, 0.5065, 0.3315]\n", + " PeriodicSite: Li (9.234, 5.918, 17.52) [0.4546, 0.2913, 0.8626]\n", + " PeriodicSite: Li (7.874, 20.2, 8.256) [0.3876, 0.9944, 0.4065]\n", + " PeriodicSite: Li (8.119, 15.82, 16.2) [0.3997, 0.7788, 0.7973]\n", + " PeriodicSite: Li (18.31, 8.594, 9.868) [0.9015, 0.4231, 0.4858]\n", + " PeriodicSite: Li (17.04, 5.576, 1.234) [0.839, 0.2745, 0.06078]\n", + " PeriodicSite: Li (17.4, 19.96, 8.498) [0.8564, 0.9825, 0.4184]\n", + " PeriodicSite: Li (18.59, 17.17, 15.49) [0.915, 0.8451, 0.7627]\n", + " PeriodicSite: Li (6.344, 7.056, 9.65) [0.3123, 0.3474, 0.4751]\n", + " PeriodicSite: Li (6.147, 6.018, 18.13) [0.3026, 0.2963, 0.8928]\n", + " PeriodicSite: Li (9.8, 18.08, 8.239) [0.4825, 0.8899, 0.4056]\n", + " PeriodicSite: Li (13.32, 11.19, 15.74) [0.6557, 0.5509, 0.7748]\n", + " PeriodicSite: Li (20.07, 7.348, 6.784) [0.9882, 0.3617, 0.334]\n", + " PeriodicSite: Li (18.54, 5.565, 17.13) [0.9126, 0.2739, 0.8432]\n", + " PeriodicSite: Li (16.69, 17.65, 9.948) [0.8216, 0.869, 0.4898]\n", + " PeriodicSite: Li (17.28, 15.19, 18.9) [0.8508, 0.7479, 0.9306]\n", + " PeriodicSite: Li (9.976, 7.827, 7.761) [0.4911, 0.3853, 0.3821]\n", + " PeriodicSite: Li (4.878, 5.363, 2.169) [0.2402, 0.264, 0.1068]\n", + " PeriodicSite: Li (4.95, 16.76, 8.109) [0.2437, 0.8254, 0.3992]\n", + " PeriodicSite: Li (7.121, 15.21, 1.94) [0.3506, 0.7488, 0.09551]\n", + " PeriodicSite: Li (15.27, 6.818, 8.207) [0.7517, 0.3357, 0.404]\n", + " PeriodicSite: Li (18.14, 9.105, 19.6) [0.8929, 0.4482, 0.9647]\n", + " PeriodicSite: Li (15.26, 17.91, 7.46) [0.7511, 0.8819, 0.3673]\n", + " PeriodicSite: Li (15.71, 18.44, 15.64) [0.7736, 0.9078, 0.7699]\n", + " PeriodicSite: Li (7.129, 4.913, 12.27) [0.351, 0.2419, 0.6041]\n", + " PeriodicSite: Li (7.148, 7.078, 19.83) [0.3519, 0.3485, 0.9761]\n", + " PeriodicSite: Li (8.244, 17.66, 5.515) [0.4059, 0.8693, 0.2715]\n", + " PeriodicSite: Li (10.16, 17.33, 2.807) [0.5, 0.853, 0.1382]\n", + " PeriodicSite: Li (17.67, 8.718, 5.707) [0.87, 0.4292, 0.281]\n", + " PeriodicSite: Li (13.85, 6.446, 19.69) [0.6819, 0.3173, 0.9692]\n", + " PeriodicSite: Li (20.2, 18.54, 8.557) [0.9945, 0.9129, 0.4213]\n", + " PeriodicSite: Li (17.7, 0.4348, 1.552) [0.8713, 0.0214, 0.07643]\n", + " PeriodicSite: Li (3.102, 9.048, 3.985) [0.1527, 0.4454, 0.1962]\n", + " PeriodicSite: Li (9.436, 9.068, 18.1) [0.4646, 0.4464, 0.8911]\n", + " PeriodicSite: Li (7.747, 15.22, 8.836) [0.3814, 0.7493, 0.435]\n", + " PeriodicSite: Li (7.353, 20.24, 17.23) [0.362, 0.9964, 0.8485]\n", + " PeriodicSite: Li (18.21, 5.306, 7.656) [0.8965, 0.2612, 0.3769]\n", + " PeriodicSite: Li (16.49, 11.58, 16.6) [0.8116, 0.5702, 0.817]\n", + " PeriodicSite: Li (3.004, 15.38, 1.967) [0.1479, 0.7572, 0.09686]\n", + " PeriodicSite: Li (15.23, 2.366, 14.67) [0.7497, 0.1165, 0.7223]\n", + " PeriodicSite: Cl (7.749, 12.67, 12.81) [0.3815, 0.6239, 0.6307]\n", + " PeriodicSite: Cl (2.764, 13.0, 17.44) [0.1361, 0.6399, 0.8585]\n", + " PeriodicSite: Cl (12.95, 17.91, 12.4) [0.6375, 0.8815, 0.6103]\n", + " PeriodicSite: Cl (18.32, 7.906, 17.5) [0.9021, 0.3892, 0.8614]\n", + " PeriodicSite: Cl (7.252, 2.15, 2.351) [0.357, 0.1058, 0.1157]\n", + " PeriodicSite: Cl (7.506, 7.752, 7.345) [0.3695, 0.3816, 0.3616]\n", + " PeriodicSite: Cl (12.73, 12.67, 7.958) [0.6268, 0.6239, 0.3918]\n", + " PeriodicSite: Cl (2.323, 7.687, 2.181) [0.1144, 0.3784, 0.1074]\n", + " PeriodicSite: Cl (2.767, 7.792, 12.83) [0.1362, 0.3836, 0.6315]\n", + " PeriodicSite: Cl (12.55, 12.66, 17.84) [0.6181, 0.6235, 0.8784]\n", + " PeriodicSite: Cl (17.52, 18.08, 17.62) [0.8625, 0.8902, 0.8675]\n", + " PeriodicSite: Cl (2.466, 2.706, 7.831) [0.1214, 0.1332, 0.3855]\n", + " PeriodicSite: Cl (13.04, 2.827, 17.9) [0.6419, 0.1392, 0.8811]\n", + " PeriodicSite: Cl (12.53, 7.373, 2.59) [0.617, 0.363, 0.1275]\n", + " PeriodicSite: Cl (17.13, 2.554, 13.17) [0.8434, 0.1257, 0.6484]\n", + " PeriodicSite: Cl (7.456, 18.05, 17.96) [0.3671, 0.8888, 0.8842]\n", + " PeriodicSite: Cl (20.21, 0.009692, 0.4384) [0.9952, 0.0004679, 0.02159]\n", + " PeriodicSite: Cl (0.4568, 0.2096, 10.64) [0.02249, 0.01032, 0.5238]\n", + " PeriodicSite: Cl (20.12, 9.89, 20.12) [0.9903, 0.4869, 0.9907]\n", + " PeriodicSite: Cl (0.02178, 10.11, 10.06) [0.001071, 0.4977, 0.4951]\n", + " PeriodicSite: Cl (10.14, 0.07281, 20.23) [0.4992, 0.003581, 0.9957]\n", + " PeriodicSite: Cl (9.869, 0.2244, 9.554) [0.4859, 0.01104, 0.4703]\n", + " PeriodicSite: Cl (10.49, 10.11, 20.06) [0.5164, 0.4978, 0.9877]\n", + " PeriodicSite: Cl (10.5, 9.765, 10.38) [0.5168, 0.4807, 0.5111]\n", + " PeriodicSite: Cl (19.85, 4.568, 5.377) [0.9771, 0.2249, 0.2647]\n", + " PeriodicSite: Cl (0.2478, 5.776, 15.51) [0.0122, 0.2844, 0.7635]\n", + " PeriodicSite: Cl (20.13, 15.34, 5.244) [0.9908, 0.7552, 0.2582]\n", + " PeriodicSite: Cl (0.1421, 15.36, 14.99) [0.006994, 0.7563, 0.738]\n", + " PeriodicSite: Cl (9.976, 5.11, 4.969) [0.4911, 0.2516, 0.2446]\n", + " PeriodicSite: Cl (9.83, 5.794, 15.29) [0.4839, 0.2853, 0.7525]\n", + " PeriodicSite: Cl (9.721, 15.53, 4.597) [0.4786, 0.7646, 0.2263]\n", + " PeriodicSite: Cl (10.06, 15.46, 15.32) [0.4953, 0.7612, 0.7545]\n", + " PeriodicSite: S (4.98, 0.2156, 5.087) [0.2452, 0.01061, 0.2504]\n", + " PeriodicSite: S (5.014, 0.1763, 15.51) [0.2468, 0.008681, 0.7638]\n", + " PeriodicSite: S (4.962, 9.772, 5.114) [0.2443, 0.4811, 0.2518]\n", + " PeriodicSite: S (5.427, 10.32, 15.3) [0.2672, 0.5083, 0.7534]\n", + " PeriodicSite: S (14.81, 20.22, 5.193) [0.729, 0.9955, 0.2557]\n", + " PeriodicSite: S (15.19, 0.2185, 15.1) [0.7478, 0.01075, 0.7435]\n", + " PeriodicSite: S (15.18, 10.34, 5.146) [0.7475, 0.5093, 0.2534]\n", + " PeriodicSite: S (15.52, 10.17, 14.94) [0.7639, 0.5008, 0.7356]\n", + " PeriodicSite: S (5.488, 5.372, 20.26) [0.2702, 0.2645, 0.9973]\n", + " PeriodicSite: S (5.235, 5.005, 10.53) [0.2577, 0.2464, 0.5185]\n", + " PeriodicSite: S (5.172, 15.2, 0.1811) [0.2546, 0.7483, 0.008918]\n", + " PeriodicSite: S (5.323, 14.97, 9.923) [0.2621, 0.7368, 0.4885]\n", + " PeriodicSite: S (15.04, 4.793, 0.4768) [0.7406, 0.236, 0.02348]\n", + " PeriodicSite: S (14.66, 5.354, 10.28) [0.7218, 0.2636, 0.5063]\n", + " PeriodicSite: S (15.29, 15.17, 0.258) [0.7528, 0.7471, 0.01271]\n", + " PeriodicSite: S (15.23, 15.62, 10.15) [0.75, 0.7691, 0.4999]\n", + " PeriodicSite: S (9.125, 4.003, 8.345) [0.4492, 0.1971, 0.4108]\n", + " PeriodicSite: S (8.888, 4.366, 19.24) [0.4376, 0.215, 0.9471]\n", + " PeriodicSite: S (9.435, 13.46, 9.217) [0.4645, 0.6625, 0.4537]\n", + " PeriodicSite: S (8.688, 14.34, 18.9) [0.4277, 0.7059, 0.9302]\n", + " PeriodicSite: S (18.33, 4.001, 9.475) [0.9025, 0.197, 0.4665]\n", + " PeriodicSite: S (19.18, 3.956, 19.23) [0.9442, 0.1948, 0.9467]\n", + " PeriodicSite: S (19.12, 13.65, 8.835) [0.9415, 0.6722, 0.435]\n", + " PeriodicSite: S (19.43, 13.82, 19.09) [0.9567, 0.6803, 0.9399]\n", + " PeriodicSite: S (3.417, 0.7608, 1.265) [0.1682, 0.03745, 0.06228]\n", + " PeriodicSite: S (3.722, 1.099, 11.57) [0.1832, 0.0541, 0.5694]\n", + " PeriodicSite: S (4.2, 11.22, 1.43) [0.2068, 0.5522, 0.07038]\n", + " PeriodicSite: S (4.034, 11.25, 11.33) [0.1986, 0.5538, 0.5576]\n", + " PeriodicSite: S (13.65, 1.101, 1.252) [0.6718, 0.05422, 0.06163]\n", + " PeriodicSite: S (13.78, 1.348, 11.45) [0.6786, 0.06637, 0.5639]\n", + " PeriodicSite: S (14.2, 11.01, 1.23) [0.6989, 0.542, 0.06057]\n", + " PeriodicSite: S (14.16, 11.29, 11.35) [0.6971, 0.5556, 0.5586]\n", + " PeriodicSite: S (6.294, 1.136, 9.281) [0.3099, 0.05592, 0.4569]\n", + " PeriodicSite: S (5.727, 1.622, 19.48) [0.2819, 0.07987, 0.9591]\n", + " PeriodicSite: S (6.566, 11.19, 9.065) [0.3233, 0.5507, 0.4463]\n", + " PeriodicSite: S (6.412, 11.42, 19.08) [0.3157, 0.5623, 0.9392]\n", + " PeriodicSite: S (15.96, 1.576, 8.962) [0.786, 0.07758, 0.4412]\n", + " PeriodicSite: S (16.23, 1.372, 19.38) [0.7989, 0.06753, 0.9543]\n", + " PeriodicSite: S (16.52, 11.16, 9.02) [0.8132, 0.5493, 0.4441]\n", + " PeriodicSite: S (16.6, 11.21, 19.05) [0.8174, 0.5516, 0.9376]\n", + " PeriodicSite: S (1.285, 3.509, 1.028) [0.06325, 0.1728, 0.05063]\n", + " PeriodicSite: S (0.9754, 3.783, 11.35) [0.04802, 0.1862, 0.5587]\n", + " PeriodicSite: S (0.9108, 14.44, 1.59) [0.04483, 0.7111, 0.07827]\n", + " PeriodicSite: S (0.9974, 13.55, 11.17) [0.0491, 0.6669, 0.5497]\n", + " PeriodicSite: S (11.25, 3.79, 1.104) [0.5539, 0.1866, 0.05433]\n", + " PeriodicSite: S (11.01, 3.82, 10.89) [0.5421, 0.188, 0.5361]\n", + " PeriodicSite: S (10.98, 14.26, 1.18) [0.5404, 0.7018, 0.05808]\n", + " PeriodicSite: S (11.86, 14.25, 11.71) [0.584, 0.7013, 0.5766]\n", + " PeriodicSite: S (2.139, 2.457, 17.89) [0.1053, 0.121, 0.8806]\n", + " PeriodicSite: S (2.715, 12.23, 7.578) [0.1337, 0.6019, 0.3731]\n", + " PeriodicSite: S (12.52, 2.446, 7.663) [0.6166, 0.1204, 0.3772]\n", + " PeriodicSite: S (8.629, 9.233, 3.578) [0.4248, 0.4546, 0.1761]\n", + " PeriodicSite: S (9.142, 9.101, 13.84) [0.4501, 0.448, 0.6815]\n", + " PeriodicSite: S (8.922, 19.15, 3.809) [0.4393, 0.9426, 0.1875]\n", + " PeriodicSite: S (9.715, 19.99, 13.54) [0.4783, 0.9839, 0.6665]\n", + " PeriodicSite: S (19.12, 8.772, 3.73) [0.9415, 0.4319, 0.1836]\n", + " PeriodicSite: S (19.5, 8.76, 14.23) [0.9598, 0.4313, 0.7004]\n", + " PeriodicSite: S (19.05, 18.58, 4.06) [0.938, 0.9149, 0.1999]\n", + " PeriodicSite: S (18.9, 19.03, 14.01) [0.9304, 0.9369, 0.6898]\n", + " PeriodicSite: S (3.582, 6.169, 6.211) [0.1763, 0.3037, 0.3058]\n", + " PeriodicSite: S (3.845, 6.587, 16.44) [0.1893, 0.3243, 0.8095]\n", + " PeriodicSite: S (3.59, 16.05, 6.236) [0.1767, 0.7902, 0.307]\n", + " PeriodicSite: S (3.936, 16.49, 16.41) [0.1938, 0.8118, 0.8078]\n", + " PeriodicSite: S (13.91, 6.211, 6.215) [0.6848, 0.3058, 0.306]\n", + " PeriodicSite: S (13.64, 6.418, 16.39) [0.6714, 0.3159, 0.8067]\n", + " PeriodicSite: S (13.69, 16.56, 6.156) [0.6739, 0.8153, 0.3031]\n", + " PeriodicSite: S (14.18, 16.16, 16.7) [0.6981, 0.7957, 0.822]\n", + " PeriodicSite: S (6.112, 5.774, 3.913) [0.3009, 0.2843, 0.1926]\n", + " PeriodicSite: S (6.046, 6.391, 13.94) [0.2976, 0.3146, 0.6863]\n", + " PeriodicSite: S (6.178, 16.47, 4.159) [0.3042, 0.8109, 0.2048]\n", + " PeriodicSite: S (6.697, 16.64, 14.4) [0.3297, 0.8192, 0.7091]\n", + " PeriodicSite: S (16.61, 6.442, 3.975) [0.818, 0.3171, 0.1957]\n", + " PeriodicSite: S (16.06, 6.819, 14.26) [0.7905, 0.3357, 0.7021]\n", + " PeriodicSite: S (16.47, 16.47, 4.168) [0.8108, 0.8107, 0.2052]\n", + " PeriodicSite: S (16.34, 16.31, 14.4) [0.8042, 0.8028, 0.7091]\n", + " PeriodicSite: S (1.382, 8.877, 6.161) [0.06802, 0.437, 0.3033]\n", + " PeriodicSite: S (1.465, 9.085, 16.78) [0.07214, 0.4472, 0.8261]\n", + " PeriodicSite: S (1.111, 18.72, 6.378) [0.05471, 0.9217, 0.314]\n", + " PeriodicSite: S (0.7544, 19.01, 16.75) [0.03714, 0.9357, 0.8247]\n", + " PeriodicSite: S (11.05, 8.755, 5.814) [0.5438, 0.431, 0.2863]\n", + " PeriodicSite: S (11.37, 9.534, 16.49) [0.56, 0.4694, 0.8118]\n", + " PeriodicSite: S (10.97, 19.07, 6.414) [0.5401, 0.939, 0.3158]\n", + " PeriodicSite: S (11.4, 19.98, 16.84) [0.5614, 0.9837, 0.8288]\n", + " PeriodicSite: S (2.544, 17.75, 2.563) [0.1252, 0.8739, 0.1262]\n", + " PeriodicSite: S (2.32, 17.45, 12.55) [0.1142, 0.8592, 0.6176]\n", + " PeriodicSite: S (12.6, 7.923, 12.58) [0.6202, 0.39, 0.6192]\n", + " PeriodicSite: S (12.4, 17.97, 2.483) [0.6106, 0.8847, 0.1222]\n", + " PeriodicSite: S (3.677, 3.714, 3.891) [0.181, 0.1828, 0.1916]\n", + " PeriodicSite: S (3.669, 4.18, 14.05) [0.1806, 0.2058, 0.6915]\n", + " PeriodicSite: S (4.003, 13.81, 3.82) [0.1971, 0.6799, 0.1881]\n", + " PeriodicSite: S (4.292, 14.31, 13.86) [0.2113, 0.7045, 0.6823]\n", + " PeriodicSite: S (14.31, 3.705, 4.038) [0.7044, 0.1824, 0.1988]\n", + " PeriodicSite: S (13.77, 4.196, 13.96) [0.6779, 0.2066, 0.6873]\n", + " PeriodicSite: S (14.04, 14.24, 3.856) [0.6914, 0.7011, 0.1899]\n", + " PeriodicSite: S (14.24, 13.7, 14.32) [0.7012, 0.6743, 0.705]\n", + " PeriodicSite: S (8.821, 1.362, 5.932) [0.4342, 0.06706, 0.292]\n", + " PeriodicSite: S (8.795, 1.593, 16.37) [0.433, 0.07842, 0.8057]\n", + " PeriodicSite: S (8.995, 11.67, 6.16) [0.4428, 0.5744, 0.3033]\n", + " PeriodicSite: S (9.068, 11.71, 15.83) [0.4464, 0.5767, 0.7794]\n", + " PeriodicSite: S (18.83, 0.5999, 6.462) [0.9271, 0.02952, 0.3181]\n", + " PeriodicSite: S (19.0, 1.257, 15.87) [0.9352, 0.06187, 0.7813]\n", + " PeriodicSite: S (19.18, 11.02, 6.176) [0.9443, 0.5426, 0.3041]\n", + " PeriodicSite: S (19.38, 11.32, 16.61) [0.9541, 0.5573, 0.8176]\n", + " PeriodicSite: S (1.057, 0.8816, 4.392) [0.05203, 0.0434, 0.2162]\n", + " PeriodicSite: S (1.267, 0.7877, 14.02) [0.0624, 0.03878, 0.6901]\n", + " PeriodicSite: S (1.35, 11.05, 3.631) [0.06644, 0.544, 0.1788]\n", + " PeriodicSite: S (1.446, 11.29, 14.22) [0.07118, 0.556, 0.7002]\n", + " PeriodicSite: S (11.43, 1.091, 3.955) [0.5628, 0.0537, 0.1947]\n", + " PeriodicSite: S (11.76, 2.041, 14.6) [0.5788, 0.1005, 0.7189]\n", + " PeriodicSite: S (11.3, 11.48, 4.016) [0.5565, 0.5651, 0.1977]\n", + " PeriodicSite: S (11.51, 11.58, 13.81) [0.5667, 0.57, 0.6799]\n", + " PeriodicSite: S (5.891, 3.723, 6.53) [0.29, 0.1833, 0.3215]\n", + " PeriodicSite: S (6.248, 4.096, 16.43) [0.3076, 0.2017, 0.8088]\n", + " PeriodicSite: S (6.15, 13.82, 6.297) [0.3028, 0.6804, 0.31]\n", + " PeriodicSite: S (6.36, 14.05, 16.42) [0.3131, 0.6917, 0.8084]\n", + " PeriodicSite: S (16.55, 4.05, 6.22) [0.8148, 0.1994, 0.3062]\n", + " PeriodicSite: S (16.18, 4.141, 16.41) [0.7967, 0.2039, 0.8079]\n", + " PeriodicSite: S (15.82, 13.95, 6.494) [0.7787, 0.6867, 0.3197]\n", + " PeriodicSite: S (16.56, 14.0, 16.88) [0.8151, 0.6891, 0.8311]\n", + " PeriodicSite: S (7.534, 2.759, 12.93) [0.3709, 0.1358, 0.6366]\n", + " PeriodicSite: S (7.283, 13.01, 2.545) [0.3585, 0.6405, 0.1253]\n", + " PeriodicSite: S (17.76, 2.323, 2.867) [0.8745, 0.1143, 0.1411]\n", + " PeriodicSite: S (17.41, 12.47, 2.498) [0.857, 0.6138, 0.123]\n", + " PeriodicSite: S (17.71, 12.5, 12.81) [0.8721, 0.6154, 0.6305]\n", + " PeriodicSite: S (4.139, 8.694, 8.948) [0.2038, 0.428, 0.4405]\n", + " PeriodicSite: S (4.157, 9.102, 18.93) [0.2047, 0.4481, 0.9321]\n", + " PeriodicSite: S (3.983, 19.1, 9.019) [0.1961, 0.9405, 0.444]\n", + " PeriodicSite: S (3.785, 19.15, 18.65) [0.1863, 0.9429, 0.918]\n", + " PeriodicSite: S (13.99, 9.043, 8.819) [0.6888, 0.4452, 0.4342]\n", + " PeriodicSite: S (14.18, 8.777, 18.95) [0.698, 0.4321, 0.9329]\n", + " PeriodicSite: S (13.85, 19.2, 9.032) [0.6819, 0.945, 0.4447]\n", + " PeriodicSite: S (13.97, 19.1, 19.07) [0.6879, 0.9402, 0.9389]\n", + " PeriodicSite: S (9.097, 6.436, 1.309) [0.4478, 0.3169, 0.06446]\n", + " PeriodicSite: S (8.874, 6.261, 11.06) [0.4369, 0.3082, 0.5444]\n", + " PeriodicSite: S (8.848, 16.71, 0.649) [0.4356, 0.8225, 0.03196]\n", + " PeriodicSite: S (9.109, 16.03, 11.37) [0.4484, 0.7892, 0.5599]\n", + " PeriodicSite: S (19.48, 6.16, 1.161) [0.9591, 0.3033, 0.05716]\n", + " PeriodicSite: S (19.24, 6.653, 11.41) [0.9474, 0.3275, 0.5617]\n", + " PeriodicSite: S (18.72, 16.52, 0.5741) [0.9217, 0.8131, 0.02827]\n", + " PeriodicSite: S (18.81, 16.13, 11.25) [0.9258, 0.794, 0.554]\n", + " PeriodicSite: S (0.8612, 6.128, 8.91) [0.0424, 0.3017, 0.4386]\n", + " PeriodicSite: S (1.515, 6.227, 19.26) [0.07457, 0.3066, 0.9481]\n", + " PeriodicSite: S (1.129, 15.93, 9.041) [0.05559, 0.7844, 0.4451]\n", + " PeriodicSite: S (1.215, 16.52, 19.13) [0.05983, 0.8135, 0.9419]\n", + " PeriodicSite: S (11.31, 6.442, 8.788) [0.5567, 0.3171, 0.4326]\n", + " PeriodicSite: S (11.55, 6.208, 19.14) [0.5685, 0.3056, 0.9425]\n", + " PeriodicSite: S (11.48, 15.93, 8.893) [0.5653, 0.7844, 0.4378]\n", + " PeriodicSite: S (11.42, 16.43, 19.15) [0.5621, 0.8089, 0.9427]\n", + " PeriodicSite: S (6.363, 8.921, 1.013) [0.3133, 0.4392, 0.04985]\n", + " PeriodicSite: S (6.328, 8.793, 11.37) [0.3115, 0.4329, 0.5597]\n", + " PeriodicSite: S (6.231, 18.96, 0.9159) [0.3068, 0.9337, 0.04509]\n", + " PeriodicSite: S (5.879, 18.98, 11.67) [0.2894, 0.9345, 0.5745]\n", + " PeriodicSite: S (16.59, 8.56, 0.8419) [0.8166, 0.4214, 0.04145]\n", + " PeriodicSite: S (16.32, 8.591, 11.44) [0.8035, 0.4229, 0.563]\n", + " PeriodicSite: S (16.26, 19.01, 1.195) [0.8005, 0.9359, 0.05883]\n", + " PeriodicSite: S (16.41, 19.61, 11.25) [0.8078, 0.9656, 0.5537]\n", + " PeriodicSite: S (7.787, 7.783, 17.49) [0.3834, 0.3832, 0.8609]\n", + " PeriodicSite: S (7.544, 17.62, 7.844) [0.3714, 0.8674, 0.3862]\n", + " PeriodicSite: S (17.8, 7.574, 7.453) [0.8764, 0.3728, 0.3669]\n", + " PeriodicSite: S (17.51, 17.77, 7.686) [0.862, 0.8749, 0.3784]\n", + " PeriodicSite: P (4.854, 20.25, 20.23) [0.239, 0.9971, 0.9961]\n", + " PeriodicSite: P (4.928, 20.26, 10.42) [0.2426, 0.9974, 0.5128]\n", + " PeriodicSite: P (5.203, 10.19, 0.04152) [0.2562, 0.5015, 0.002046]\n", + " PeriodicSite: P (5.311, 9.969, 10.15) [0.2615, 0.4908, 0.4996]\n", + " PeriodicSite: P (15.07, 20.31, 0.03432) [0.742, 1.0, 0.001695]\n", + " PeriodicSite: P (14.94, 0.3109, 10.19) [0.7356, 0.0153, 0.5018]\n", + " PeriodicSite: P (15.33, 9.867, 20.21) [0.7548, 0.4857, 0.9948]\n", + " PeriodicSite: P (15.27, 9.958, 10.23) [0.7519, 0.4903, 0.5037]\n", + " PeriodicSite: P (4.678, 4.872, 5.215) [0.2303, 0.2399, 0.2567]\n", + " PeriodicSite: P (4.916, 5.273, 15.2) [0.242, 0.2596, 0.7485]\n", + " PeriodicSite: P (4.97, 15.03, 5.124) [0.2447, 0.7399, 0.2523]\n", + " PeriodicSite: P (5.325, 15.33, 15.22) [0.2622, 0.7545, 0.7492]\n", + " PeriodicSite: P (15.32, 5.199, 5.131) [0.7543, 0.256, 0.2526]\n", + " PeriodicSite: P (14.91, 5.35, 15.22) [0.7341, 0.2634, 0.7495]\n", + " PeriodicSite: P (15.09, 15.35, 5.149) [0.7431, 0.7558, 0.2535]\n", + " PeriodicSite: P (15.24, 14.94, 15.54) [0.7504, 0.7355, 0.7651]\n", + " PeriodicSite: P (20.1, 19.86, 5.264) [0.9896, 0.9778, 0.2592]\n", + " PeriodicSite: P (20.24, 20.01, 15.23) [0.9965, 0.9852, 0.7496]\n", + " PeriodicSite: P (0.06023, 9.948, 4.833) [0.002962, 0.4897, 0.2379]\n", + " PeriodicSite: P (0.267, 10.17, 15.51) [0.01315, 0.5006, 0.7637]\n", + " PeriodicSite: P (10.05, 0.03691, 5.032) [0.4945, 0.001813, 0.2477]\n", + " PeriodicSite: P (10.5, 0.642, 15.27) [0.517, 0.0316, 0.7518]\n", + " PeriodicSite: P (9.951, 10.24, 4.891) [0.4899, 0.5043, 0.2408]\n", + " PeriodicSite: P (10.34, 10.4, 14.93) [0.509, 0.5122, 0.7351]\n", + " PeriodicSite: P (0.2512, 4.976, 20.26) [0.01237, 0.245, 0.9976]\n", + " PeriodicSite: P (19.99, 5.127, 10.24) [0.9843, 0.2524, 0.5041]\n", + " PeriodicSite: P (20.31, 15.2, 20.22) [0.9997, 0.7481, 0.9953]\n", + " PeriodicSite: P (20.12, 14.82, 10.21) [0.9903, 0.7298, 0.5025]\n", + " PeriodicSite: P (10.21, 5.262, 0.114) [0.5026, 0.259, 0.005618]\n", + " PeriodicSite: P (10.05, 5.148, 9.688) [0.4946, 0.2535, 0.4769]\n", + " PeriodicSite: P (10.0, 15.31, 20.13) [0.4923, 0.7539, 0.9911]\n", + " PeriodicSite: P (10.46, 14.86, 10.37) [0.5149, 0.7317, 0.5104],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.328, 5.398, 3.241) [0.06537, 0.2657, 0.1596]\n", + " PeriodicSite: Li (1.76, 2.75, 15.29) [0.08664, 0.1354, 0.7528]\n", + " PeriodicSite: Li (0.5544, 11.04, 7.723) [0.02729, 0.5435, 0.3802]\n", + " PeriodicSite: Li (1.274, 14.59, 17.49) [0.06273, 0.7182, 0.8613]\n", + " PeriodicSite: Li (14.57, 0.8418, 7.238) [0.7175, 0.04144, 0.3564]\n", + " PeriodicSite: Li (12.18, 4.305, 15.77) [0.5996, 0.2119, 0.7762]\n", + " PeriodicSite: Li (17.28, 12.33, 4.794) [0.8508, 0.607, 0.236]\n", + " PeriodicSite: Li (17.29, 8.34, 15.69) [0.8513, 0.4106, 0.7723]\n", + " PeriodicSite: Li (6.447, 3.908, 9.422) [0.3174, 0.1924, 0.4639]\n", + " PeriodicSite: Li (1.603, 1.385, 19.98) [0.07891, 0.06817, 0.9837]\n", + " PeriodicSite: Li (5.106, 8.055, 6.304) [0.2514, 0.3966, 0.3104]\n", + " PeriodicSite: Li (6.615, 10.09, 17.0) [0.3257, 0.4968, 0.837]\n", + " PeriodicSite: Li (11.63, 4.751, 6.412) [0.5725, 0.2339, 0.3157]\n", + " PeriodicSite: Li (12.95, 4.098, 20.04) [0.6374, 0.2018, 0.9867]\n", + " PeriodicSite: Li (12.19, 9.78, 11.62) [0.6, 0.4815, 0.572]\n", + " PeriodicSite: Li (9.597, 18.87, 18.62) [0.4725, 0.9289, 0.9165]\n", + " PeriodicSite: Li (4.613, 1.531, 6.927) [0.2271, 0.07536, 0.341]\n", + " PeriodicSite: Li (2.617, 20.11, 16.41) [0.1288, 0.9902, 0.8081]\n", + " PeriodicSite: Li (3.195, 10.18, 6.637) [0.1573, 0.5014, 0.3267]\n", + " PeriodicSite: Li (6.865, 10.42, 13.16) [0.3379, 0.5129, 0.648]\n", + " PeriodicSite: Li (12.01, 1.366, 9.981) [0.5915, 0.06725, 0.4914]\n", + " PeriodicSite: Li (9.858, 1.065, 18.61) [0.4853, 0.05241, 0.9164]\n", + " PeriodicSite: Li (13.96, 14.42, 8.094) [0.6872, 0.7099, 0.3985]\n", + " PeriodicSite: Li (12.61, 10.92, 19.09) [0.6207, 0.5378, 0.9397]\n", + " PeriodicSite: Li (1.929, 4.102, 6.353) [0.09497, 0.2019, 0.3127]\n", + " PeriodicSite: Li (0.1861, 2.257, 17.91) [0.009164, 0.1111, 0.8818]\n", + " PeriodicSite: Li (1.707, 14.64, 6.977) [0.08402, 0.7206, 0.3435]\n", + " PeriodicSite: Li (4.607, 13.51, 18.82) [0.2268, 0.6651, 0.9267]\n", + " PeriodicSite: Li (12.98, 2.249, 5.019) [0.6388, 0.1107, 0.2471]\n", + " PeriodicSite: Li (13.16, 0.6576, 16.62) [0.6479, 0.03237, 0.818]\n", + " PeriodicSite: Li (10.83, 11.44, 8.074) [0.533, 0.563, 0.3975]\n", + " PeriodicSite: Li (15.77, 17.28, 19.94) [0.7766, 0.8505, 0.9819]\n", + " PeriodicSite: Li (6.771, 0.9132, 4.732) [0.3333, 0.04496, 0.233]\n", + " PeriodicSite: Li (2.165, 18.39, 0.4337) [0.1066, 0.9052, 0.02135]\n", + " PeriodicSite: Li (2.898, 14.51, 9.645) [0.1427, 0.7144, 0.4748]\n", + " PeriodicSite: Li (2.506, 16.24, 14.95) [0.1234, 0.7995, 0.7362]\n", + " PeriodicSite: Li (15.27, 3.535, 8.278) [0.7517, 0.174, 0.4075]\n", + " PeriodicSite: Li (15.11, 3.448, 18.1) [0.744, 0.1698, 0.8912]\n", + " PeriodicSite: Li (16.87, 15.17, 8.256) [0.8303, 0.7468, 0.4065]\n", + " PeriodicSite: Li (10.58, 13.07, 19.41) [0.5208, 0.6433, 0.9558]\n", + " PeriodicSite: Li (4.742, 2.161, 3.275) [0.2335, 0.1064, 0.1613]\n", + " PeriodicSite: Li (4.584, 1.998, 16.96) [0.2257, 0.09838, 0.835]\n", + " PeriodicSite: Li (2.578, 12.34, 5.384) [0.1269, 0.6076, 0.265]\n", + " PeriodicSite: Li (19.7, 13.48, 3.662) [0.97, 0.6637, 0.1803]\n", + " PeriodicSite: Li (10.29, 2.203, 7.887) [0.5064, 0.1085, 0.3883]\n", + " PeriodicSite: Li (17.07, 0.2704, 17.27) [0.8406, 0.01331, 0.8502]\n", + " PeriodicSite: Li (14.94, 11.81, 2.915) [0.7354, 0.5815, 0.1435]\n", + " PeriodicSite: Li (13.82, 9.099, 16.14) [0.6806, 0.448, 0.7946]\n", + " PeriodicSite: Li (3.404, 12.7, 15.05) [0.1676, 0.6252, 0.7408]\n", + " PeriodicSite: Li (2.486, 10.99, 9.885) [0.1224, 0.5409, 0.4867]\n", + " PeriodicSite: Li (0.08937, 17.13, 2.634) [0.004393, 0.8434, 0.1297]\n", + " PeriodicSite: Li (1.713, 1.306, 9.972) [0.08436, 0.06429, 0.491]\n", + " PeriodicSite: Li (12.43, 5.214, 2.568) [0.6117, 0.2567, 0.1264]\n", + " PeriodicSite: Li (11.92, 7.017, 14.58) [0.587, 0.3455, 0.7176]\n", + " PeriodicSite: Li (10.92, 14.65, 7.086) [0.5375, 0.7213, 0.3489]\n", + " PeriodicSite: Li (14.21, 19.57, 13.38) [0.6997, 0.9636, 0.6585]\n", + " PeriodicSite: Li (4.113, 7.276, 0.08112) [0.2025, 0.3582, 0.003995]\n", + " PeriodicSite: Li (2.699, 5.039, 10.68) [0.1329, 0.2481, 0.5256]\n", + " PeriodicSite: Li (6.49, 17.23, 19.78) [0.3195, 0.848, 0.9739]\n", + " PeriodicSite: Li (5.42, 18.31, 16.7) [0.2668, 0.9012, 0.8222]\n", + " PeriodicSite: Li (15.4, 6.718, 1.534) [0.7581, 0.3307, 0.07554]\n", + " PeriodicSite: Li (10.27, 7.573, 11.77) [0.5058, 0.3728, 0.5794]\n", + " PeriodicSite: Li (13.03, 18.75, 5.171) [0.6414, 0.9233, 0.2546]\n", + " PeriodicSite: Li (10.31, 17.16, 13.65) [0.5074, 0.8448, 0.6722]\n", + " PeriodicSite: Li (3.441, 10.68, 16.98) [0.1694, 0.526, 0.8361]\n", + " PeriodicSite: Li (4.72, 7.082, 12.04) [0.2324, 0.3487, 0.5925]\n", + " PeriodicSite: Li (4.748, 18.55, 3.218) [0.2337, 0.9133, 0.1584]\n", + " PeriodicSite: Li (2.293, 18.1, 10.5) [0.1129, 0.8912, 0.5168]\n", + " PeriodicSite: Li (11.14, 8.265, 0.7308) [0.5482, 0.4069, 0.03598]\n", + " PeriodicSite: Li (12.41, 5.105, 12.55) [0.611, 0.2513, 0.6177]\n", + " PeriodicSite: Li (12.41, 15.85, 4.02) [0.6109, 0.7805, 0.1979]\n", + " PeriodicSite: Li (13.45, 15.27, 12.43) [0.6623, 0.7516, 0.6119]\n", + " PeriodicSite: Li (0.4897, 8.105, 2.319) [0.02411, 0.399, 0.1142]\n", + " PeriodicSite: Li (17.19, 6.169, 9.86) [0.8461, 0.3037, 0.4854]\n", + " PeriodicSite: Li (2.197, 16.68, 4.657) [0.1081, 0.8214, 0.2293]\n", + " PeriodicSite: Li (0.6547, 19.24, 12.73) [0.03222, 0.9474, 0.6266]\n", + " PeriodicSite: Li (9.839, 7.244, 3.79) [0.4844, 0.3566, 0.1866]\n", + " PeriodicSite: Li (15.11, 9.037, 13.22) [0.7438, 0.4449, 0.651]\n", + " PeriodicSite: Li (13.19, 15.72, 1.118) [0.6494, 0.7741, 0.05507]\n", + " PeriodicSite: Li (11.8, 14.94, 16.95) [0.5809, 0.7354, 0.8347]\n", + " PeriodicSite: Li (6.083, 8.512, 3.656) [0.2995, 0.4191, 0.18]\n", + " PeriodicSite: Li (20.26, 12.6, 13.03) [0.9973, 0.6205, 0.6417]\n", + " PeriodicSite: Li (18.34, 17.04, 5.398) [0.9028, 0.839, 0.2658]\n", + " PeriodicSite: Li (3.738, 19.44, 13.07) [0.184, 0.9573, 0.6437]\n", + " PeriodicSite: Li (17.12, 10.39, 3.237) [0.843, 0.5117, 0.1594]\n", + " PeriodicSite: Li (13.11, 7.041, 10.28) [0.6453, 0.3466, 0.5061]\n", + " PeriodicSite: Li (12.33, 19.0, 0.4737) [0.6069, 0.9356, 0.02332]\n", + " PeriodicSite: Li (13.54, 16.97, 10.41) [0.6665, 0.8353, 0.5126]\n", + " PeriodicSite: Li (3.725, 3.02, 20.02) [0.1834, 0.1487, 0.9857]\n", + " PeriodicSite: Li (3.514, 9.842, 13.47) [0.173, 0.4845, 0.663]\n", + " PeriodicSite: Li (2.305, 19.86, 3.265) [0.1135, 0.9779, 0.1608]\n", + " PeriodicSite: Li (0.4444, 15.91, 12.75) [0.02188, 0.7832, 0.6277]\n", + " PeriodicSite: Li (13.32, 9.626, 4.807) [0.6558, 0.4739, 0.2366]\n", + " PeriodicSite: Li (15.02, 6.04, 12.21) [0.7394, 0.2973, 0.6012]\n", + " PeriodicSite: Li (15.3, 18.13, 3.128) [0.7532, 0.8924, 0.154]\n", + " PeriodicSite: Li (19.36, 4.313, 13.2) [0.9533, 0.2123, 0.6498]\n", + " PeriodicSite: Li (9.415, 2.775, 3.559) [0.4635, 0.1366, 0.1752]\n", + " PeriodicSite: Li (9.732, 1.465, 12.75) [0.4791, 0.07212, 0.6279]\n", + " PeriodicSite: Li (5.582, 11.42, 3.359) [0.2748, 0.5623, 0.1654]\n", + " PeriodicSite: Li (6.409, 12.43, 14.74) [0.3155, 0.6118, 0.7259]\n", + " PeriodicSite: Li (18.96, 2.898, 4.787) [0.9332, 0.1427, 0.2357]\n", + " PeriodicSite: Li (12.84, 4.459, 9.358) [0.6321, 0.2195, 0.4607]\n", + " PeriodicSite: Li (18.61, 11.66, 0.8049) [0.9163, 0.5742, 0.03963]\n", + " PeriodicSite: Li (17.74, 10.49, 13.54) [0.8736, 0.5162, 0.6664]\n", + " PeriodicSite: Li (5.916, 18.15, 5.396) [0.2912, 0.8935, 0.2656]\n", + " PeriodicSite: Li (8.043, 3.559, 14.76) [0.396, 0.1752, 0.7265]\n", + " PeriodicSite: Li (7.561, 14.3, 0.07404) [0.3722, 0.7041, 0.003648]\n", + " PeriodicSite: Li (9.961, 13.68, 13.49) [0.4904, 0.6734, 0.6642]\n", + " PeriodicSite: Li (13.92, 20.18, 2.928) [0.6854, 0.9936, 0.1441]\n", + " PeriodicSite: Li (18.83, 1.573, 10.89) [0.9269, 0.07746, 0.536]\n", + " PeriodicSite: Li (16.98, 14.96, 1.993) [0.8358, 0.7364, 0.09814]\n", + " PeriodicSite: Li (16.94, 14.68, 11.6) [0.8339, 0.7227, 0.571]\n", + " PeriodicSite: Li (8.005, 5.295, 6.355) [0.3941, 0.2607, 0.3129]\n", + " PeriodicSite: Li (7.298, 20.18, 14.5) [0.3593, 0.9935, 0.714]\n", + " PeriodicSite: Li (10.06, 12.27, 2.241) [0.4951, 0.6042, 0.1104]\n", + " PeriodicSite: Li (5.776, 13.1, 10.97) [0.2844, 0.6448, 0.5398]\n", + " PeriodicSite: Li (19.97, 2.206, 1.951) [0.983, 0.1086, 0.09604]\n", + " PeriodicSite: Li (0.5088, 8.454, 12.05) [0.02505, 0.4162, 0.5934]\n", + " PeriodicSite: Li (15.97, 12.75, 0.4914) [0.7862, 0.6275, 0.0242]\n", + " PeriodicSite: Li (15.53, 12.27, 13.58) [0.7644, 0.6042, 0.6687]\n", + " PeriodicSite: Li (2.472, 0.6198, 5.894) [0.1217, 0.03051, 0.2901]\n", + " PeriodicSite: Li (5.937, 2.234, 14.6) [0.2923, 0.11, 0.7188]\n", + " PeriodicSite: Li (5.66, 12.85, 1.294) [0.2786, 0.6328, 0.06369]\n", + " PeriodicSite: Li (8.224, 7.32, 15.45) [0.4049, 0.3603, 0.7606]\n", + " PeriodicSite: Li (17.81, 4.71, 3.049) [0.8767, 0.2319, 0.1501]\n", + " PeriodicSite: Li (17.05, 0.04969, 13.59) [0.8396, 0.002439, 0.6691]\n", + " PeriodicSite: Li (14.44, 14.56, 18.61) [0.7111, 0.7168, 0.9162]\n", + " PeriodicSite: Li (18.59, 12.16, 10.71) [0.9152, 0.5985, 0.527]\n", + " PeriodicSite: Li (7.252, 4.135, 0.9123) [0.357, 0.2036, 0.04491]\n", + " PeriodicSite: Li (4.899, 3.261, 12.04) [0.2412, 0.1606, 0.5928]\n", + " PeriodicSite: Li (8.086, 11.05, 1.637) [0.3981, 0.5441, 0.08057]\n", + " PeriodicSite: Li (8.805, 11.6, 10.65) [0.4335, 0.5713, 0.5241]\n", + " PeriodicSite: Li (16.39, 1.545, 4.36) [0.8071, 0.07604, 0.2147]\n", + " PeriodicSite: Li (15.31, 3.066, 11.05) [0.7536, 0.1509, 0.5442]\n", + " PeriodicSite: Li (1.013, 8.607, 18.87) [0.04985, 0.4237, 0.9292]\n", + " PeriodicSite: Li (17.89, 14.0, 14.84) [0.881, 0.6893, 0.7307]\n", + " PeriodicSite: Li (8.192, 0.3282, 1.299) [0.4033, 0.01615, 0.06395]\n", + " PeriodicSite: Li (7.843, 0.6581, 11.04) [0.3861, 0.0324, 0.5435]\n", + " PeriodicSite: Li (8.343, 14.33, 4.386) [0.4107, 0.7053, 0.2159]\n", + " PeriodicSite: Li (4.202, 16.0, 12.14) [0.2069, 0.7875, 0.5976]\n", + " PeriodicSite: Li (15.91, 3.155, 1.434) [0.7834, 0.1553, 0.07059]\n", + " PeriodicSite: Li (2.129, 7.22, 14.94) [0.1048, 0.3554, 0.7356]\n", + " PeriodicSite: Li (4.563, 13.1, 8.311) [0.2246, 0.6451, 0.4092]\n", + " PeriodicSite: Li (14.05, 13.04, 10.36) [0.6916, 0.6422, 0.5101]\n", + " PeriodicSite: Li (14.28, 12.25, 5.617) [0.7032, 0.6029, 0.2765]\n", + " PeriodicSite: Li (5.086, 7.905, 17.35) [0.2504, 0.3892, 0.8542]\n", + " PeriodicSite: Li (6.731, 16.97, 10.53) [0.3314, 0.8357, 0.5184]\n", + " PeriodicSite: Li (3.736, 16.17, 18.84) [0.1839, 0.7961, 0.9273]\n", + " PeriodicSite: Li (16.3, 9.757, 7.395) [0.8023, 0.4803, 0.3641]\n", + " PeriodicSite: Li (1.566, 4.838, 17.47) [0.07712, 0.2382, 0.8602]\n", + " PeriodicSite: Li (17.08, 19.55, 5.565) [0.841, 0.9624, 0.274]\n", + " PeriodicSite: Li (19.54, 18.64, 19.06) [0.9618, 0.9175, 0.9385]\n", + " PeriodicSite: Li (6.751, 11.4, 6.32) [0.3324, 0.5611, 0.3111]\n", + " PeriodicSite: Li (9.059, 5.848, 17.74) [0.446, 0.2879, 0.8732]\n", + " PeriodicSite: Li (7.773, 20.27, 7.647) [0.3826, 0.9981, 0.3765]\n", + " PeriodicSite: Li (8.483, 15.83, 16.45) [0.4176, 0.7795, 0.8097]\n", + " PeriodicSite: Li (18.1, 8.668, 9.846) [0.8911, 0.4267, 0.4847]\n", + " PeriodicSite: Li (17.07, 5.605, 19.27) [0.8405, 0.2759, 0.9488]\n", + " PeriodicSite: Li (17.99, 19.88, 8.288) [0.8855, 0.9787, 0.408]\n", + " PeriodicSite: Li (18.92, 17.32, 15.83) [0.9313, 0.8526, 0.7795]\n", + " PeriodicSite: Li (6.416, 6.907, 9.436) [0.3159, 0.34, 0.4645]\n", + " PeriodicSite: Li (5.11, 4.965, 18.18) [0.2516, 0.2444, 0.8952]\n", + " PeriodicSite: Li (9.57, 17.95, 9.119) [0.4711, 0.8838, 0.4489]\n", + " PeriodicSite: Li (13.57, 12.16, 15.35) [0.668, 0.5989, 0.7556]\n", + " PeriodicSite: Li (19.73, 7.744, 7.157) [0.9712, 0.3812, 0.3523]\n", + " PeriodicSite: Li (18.66, 5.513, 16.68) [0.9186, 0.2714, 0.8214]\n", + " PeriodicSite: Li (17.13, 17.43, 9.97) [0.8434, 0.8581, 0.4909]\n", + " PeriodicSite: Li (17.44, 14.91, 19.24) [0.8586, 0.7339, 0.9474]\n", + " PeriodicSite: Li (9.75, 8.231, 8.399) [0.48, 0.4052, 0.4135]\n", + " PeriodicSite: Li (4.34, 5.765, 2.404) [0.2136, 0.2838, 0.1184]\n", + " PeriodicSite: Li (4.892, 17.04, 8.651) [0.2408, 0.8389, 0.4259]\n", + " PeriodicSite: Li (6.909, 15.34, 1.973) [0.3401, 0.7553, 0.09713]\n", + " PeriodicSite: Li (15.06, 6.537, 8.244) [0.7415, 0.3218, 0.4059]\n", + " PeriodicSite: Li (18.65, 10.0, 18.51) [0.9184, 0.4923, 0.9111]\n", + " PeriodicSite: Li (15.26, 17.69, 7.452) [0.7511, 0.871, 0.3669]\n", + " PeriodicSite: Li (15.31, 18.39, 16.87) [0.7536, 0.9053, 0.8305]\n", + " PeriodicSite: Li (7.298, 4.86, 12.13) [0.3593, 0.2392, 0.5972]\n", + " PeriodicSite: Li (7.165, 6.917, 19.98) [0.3527, 0.3405, 0.9837]\n", + " PeriodicSite: Li (8.684, 17.66, 6.093) [0.4275, 0.8693, 0.3]\n", + " PeriodicSite: Li (10.48, 17.86, 2.842) [0.5162, 0.879, 0.1399]\n", + " PeriodicSite: Li (17.03, 7.925, 5.492) [0.8383, 0.3901, 0.2704]\n", + " PeriodicSite: Li (14.04, 6.675, 19.23) [0.6913, 0.3286, 0.9469]\n", + " PeriodicSite: Li (20.09, 17.58, 7.75) [0.9889, 0.8656, 0.3815]\n", + " PeriodicSite: Li (17.76, 0.8097, 1.286) [0.8746, 0.03985, 0.06333]\n", + " PeriodicSite: Li (2.96, 9.835, 3.416) [0.1457, 0.4842, 0.1682]\n", + " PeriodicSite: Li (9.284, 9.238, 17.58) [0.4571, 0.4548, 0.8656]\n", + " PeriodicSite: Li (7.258, 15.08, 8.648) [0.3573, 0.7423, 0.4257]\n", + " PeriodicSite: Li (7.036, 0.007569, 17.1) [0.3464, 0.0003707, 0.8416]\n", + " PeriodicSite: Li (18.39, 5.186, 7.267) [0.9055, 0.2553, 0.3578]\n", + " PeriodicSite: Li (16.83, 11.62, 16.41) [0.8288, 0.5722, 0.8077]\n", + " PeriodicSite: Li (3.118, 15.71, 1.426) [0.1535, 0.7734, 0.07021]\n", + " PeriodicSite: Li (16.1, 2.26, 14.72) [0.7925, 0.1113, 0.7247]\n", + " PeriodicSite: Cl (7.787, 12.6, 12.3) [0.3834, 0.6204, 0.6054]\n", + " PeriodicSite: Cl (2.829, 12.89, 17.35) [0.1393, 0.6345, 0.8539]\n", + " PeriodicSite: Cl (12.82, 17.63, 12.54) [0.6312, 0.8679, 0.6175]\n", + " PeriodicSite: Cl (18.37, 7.789, 17.6) [0.9042, 0.3834, 0.8667]\n", + " PeriodicSite: Cl (7.408, 2.342, 2.689) [0.3647, 0.1153, 0.1324]\n", + " PeriodicSite: Cl (7.175, 7.362, 7.249) [0.3532, 0.3624, 0.3569]\n", + " PeriodicSite: Cl (12.6, 12.92, 7.472) [0.6205, 0.636, 0.3679]\n", + " PeriodicSite: Cl (2.851, 7.395, 2.263) [0.1404, 0.364, 0.1114]\n", + " PeriodicSite: Cl (2.587, 7.815, 12.55) [0.1273, 0.3847, 0.618]\n", + " PeriodicSite: Cl (12.47, 12.94, 17.79) [0.6137, 0.6372, 0.8756]\n", + " PeriodicSite: Cl (17.63, 18.25, 17.83) [0.8682, 0.8984, 0.8777]\n", + " PeriodicSite: Cl (2.723, 2.1, 7.688) [0.1341, 0.1034, 0.3785]\n", + " PeriodicSite: Cl (12.94, 2.964, 17.7) [0.637, 0.1459, 0.8714]\n", + " PeriodicSite: Cl (12.85, 7.455, 2.244) [0.6327, 0.367, 0.1105]\n", + " PeriodicSite: Cl (17.4, 2.425, 12.41) [0.8564, 0.1194, 0.6111]\n", + " PeriodicSite: Cl (7.668, 18.11, 17.62) [0.3775, 0.8915, 0.8674]\n", + " PeriodicSite: Cl (20.07, 20.29, 0.2745) [0.9881, 0.9987, 0.01352]\n", + " PeriodicSite: Cl (20.18, 20.13, 10.31) [0.9934, 0.9908, 0.5076]\n", + " PeriodicSite: Cl (20.02, 9.69, 0.3219) [0.9855, 0.4771, 0.01585]\n", + " PeriodicSite: Cl (0.1522, 9.833, 9.995) [0.007493, 0.4841, 0.4921]\n", + " PeriodicSite: Cl (9.936, 20.17, 0.174) [0.4892, 0.9929, 0.00857]\n", + " PeriodicSite: Cl (9.927, 0.2116, 9.98) [0.4887, 0.01041, 0.4913]\n", + " PeriodicSite: Cl (10.42, 10.58, 19.86) [0.5131, 0.5207, 0.9778]\n", + " PeriodicSite: Cl (10.52, 10.11, 9.733) [0.5177, 0.4979, 0.4791]\n", + " PeriodicSite: Cl (0.01286, 4.727, 5.051) [0.0006324, 0.2327, 0.2487]\n", + " PeriodicSite: Cl (0.1616, 5.221, 15.36) [0.007957, 0.2571, 0.756]\n", + " PeriodicSite: Cl (0.4032, 15.04, 5.155) [0.01985, 0.7403, 0.2538]\n", + " PeriodicSite: Cl (20.01, 15.26, 15.18) [0.9852, 0.7513, 0.7475]\n", + " PeriodicSite: Cl (10.15, 4.718, 4.77) [0.4996, 0.2322, 0.2349]\n", + " PeriodicSite: Cl (9.804, 5.224, 15.22) [0.4826, 0.2572, 0.7492]\n", + " PeriodicSite: Cl (10.27, 15.84, 4.841) [0.5054, 0.7798, 0.2383]\n", + " PeriodicSite: Cl (10.28, 15.23, 15.24) [0.506, 0.7499, 0.7501]\n", + " PeriodicSite: S (4.561, 20.25, 4.74) [0.2245, 0.9971, 0.2333]\n", + " PeriodicSite: S (5.218, 0.008307, 15.63) [0.2569, 0.0004078, 0.7696]\n", + " PeriodicSite: S (4.846, 10.16, 5.018) [0.2386, 0.5002, 0.247]\n", + " PeriodicSite: S (5.064, 10.65, 15.04) [0.2493, 0.5243, 0.7403]\n", + " PeriodicSite: S (14.72, 20.21, 5.162) [0.7245, 0.9947, 0.2541]\n", + " PeriodicSite: S (15.23, 20.3, 15.46) [0.75, 0.9995, 0.7612]\n", + " PeriodicSite: S (15.5, 10.43, 4.929) [0.7628, 0.5134, 0.2427]\n", + " PeriodicSite: S (15.5, 10.33, 15.18) [0.7633, 0.5083, 0.7475]\n", + " PeriodicSite: S (4.983, 5.166, 0.3332) [0.2453, 0.2543, 0.0164]\n", + " PeriodicSite: S (5.066, 5.3, 10.58) [0.2494, 0.2609, 0.521]\n", + " PeriodicSite: S (5.335, 15.2, 0.1646) [0.2626, 0.7483, 0.008105]\n", + " PeriodicSite: S (5.103, 15.22, 10.06) [0.2512, 0.7491, 0.4952]\n", + " PeriodicSite: S (15.25, 5.004, 20.26) [0.7507, 0.2464, 0.9973]\n", + " PeriodicSite: S (15.01, 5.134, 10.13) [0.739, 0.2528, 0.4988]\n", + " PeriodicSite: S (15.36, 15.15, 0.3157) [0.756, 0.7459, 0.01555]\n", + " PeriodicSite: S (15.05, 15.24, 10.07) [0.7408, 0.7504, 0.4955]\n", + " PeriodicSite: S (8.778, 3.933, 8.71) [0.4322, 0.1936, 0.4288]\n", + " PeriodicSite: S (8.864, 3.956, 19.29) [0.4364, 0.1948, 0.9498]\n", + " PeriodicSite: S (9.362, 13.64, 9.193) [0.4609, 0.6715, 0.4526]\n", + " PeriodicSite: S (9.127, 14.81, 18.73) [0.4493, 0.7291, 0.9221]\n", + " PeriodicSite: S (18.42, 4.091, 9.351) [0.9069, 0.2014, 0.4604]\n", + " PeriodicSite: S (19.29, 4.274, 18.81) [0.9498, 0.2104, 0.926]\n", + " PeriodicSite: S (19.02, 13.58, 8.618) [0.9364, 0.6685, 0.4243]\n", + " PeriodicSite: S (19.83, 13.8, 19.34) [0.9765, 0.6795, 0.952]\n", + " PeriodicSite: S (3.608, 0.8559, 1.053) [0.1776, 0.04213, 0.05183]\n", + " PeriodicSite: S (3.834, 1.198, 11.46) [0.1887, 0.05899, 0.5644]\n", + " PeriodicSite: S (3.795, 11.38, 1.276) [0.1868, 0.5605, 0.06281]\n", + " PeriodicSite: S (4.11, 11.54, 11.38) [0.2023, 0.5679, 0.5603]\n", + " PeriodicSite: S (13.82, 1.269, 0.8161) [0.6805, 0.06245, 0.04018]\n", + " PeriodicSite: S (14.06, 1.131, 11.77) [0.6922, 0.05569, 0.5795]\n", + " PeriodicSite: S (14.18, 10.87, 0.7504) [0.6983, 0.5351, 0.03695]\n", + " PeriodicSite: S (14.14, 11.2, 11.52) [0.696, 0.5515, 0.567]\n", + " PeriodicSite: S (6.162, 1.089, 9.008) [0.3034, 0.05362, 0.4435]\n", + " PeriodicSite: S (6.232, 1.258, 19.12) [0.3068, 0.06191, 0.9411]\n", + " PeriodicSite: S (6.374, 11.58, 9.033) [0.3138, 0.5699, 0.4447]\n", + " PeriodicSite: S (6.535, 11.56, 19.44) [0.3217, 0.5689, 0.9569]\n", + " PeriodicSite: S (16.38, 1.348, 9.107) [0.8064, 0.06637, 0.4483]\n", + " PeriodicSite: S (16.7, 1.403, 19.5) [0.8223, 0.06905, 0.9602]\n", + " PeriodicSite: S (16.86, 11.09, 9.233) [0.8302, 0.5459, 0.4546]\n", + " PeriodicSite: S (16.61, 11.35, 19.19) [0.8175, 0.5586, 0.9449]\n", + " PeriodicSite: S (1.271, 3.606, 0.8429) [0.06257, 0.1775, 0.0415]\n", + " PeriodicSite: S (0.6682, 3.67, 11.6) [0.0329, 0.1807, 0.571]\n", + " PeriodicSite: S (1.05, 14.64, 1.815) [0.05166, 0.7207, 0.08935]\n", + " PeriodicSite: S (1.083, 14.0, 11.28) [0.05333, 0.6894, 0.5556]\n", + " PeriodicSite: S (10.89, 3.743, 1.55) [0.5363, 0.1843, 0.07632]\n", + " PeriodicSite: S (11.11, 3.824, 11.07) [0.5468, 0.1883, 0.5452]\n", + " PeriodicSite: S (11.21, 14.07, 0.9665) [0.5518, 0.6925, 0.04758]\n", + " PeriodicSite: S (11.68, 13.88, 11.55) [0.575, 0.6831, 0.5684]\n", + " PeriodicSite: S (2.534, 2.308, 17.74) [0.1248, 0.1136, 0.8736]\n", + " PeriodicSite: S (2.34, 12.66, 7.896) [0.1152, 0.6232, 0.3887]\n", + " PeriodicSite: S (12.78, 2.784, 7.695) [0.629, 0.137, 0.3789]\n", + " PeriodicSite: S (8.874, 9.5, 3.627) [0.4369, 0.4677, 0.1786]\n", + " PeriodicSite: S (8.992, 9.359, 13.54) [0.4427, 0.4608, 0.6667]\n", + " PeriodicSite: S (8.688, 19.19, 3.837) [0.4277, 0.9449, 0.1889]\n", + " PeriodicSite: S (9.508, 19.68, 13.9) [0.4681, 0.9688, 0.6844]\n", + " PeriodicSite: S (18.86, 8.648, 3.84) [0.9286, 0.4257, 0.1891]\n", + " PeriodicSite: S (19.42, 8.991, 14.13) [0.9558, 0.4427, 0.6954]\n", + " PeriodicSite: S (18.85, 18.79, 3.74) [0.9281, 0.9252, 0.1841]\n", + " PeriodicSite: S (19.06, 19.1, 14.17) [0.9381, 0.9405, 0.6974]\n", + " PeriodicSite: S (3.437, 6.016, 6.441) [0.1692, 0.2962, 0.3171]\n", + " PeriodicSite: S (3.694, 5.968, 16.51) [0.1819, 0.2938, 0.8129]\n", + " PeriodicSite: S (3.764, 15.91, 6.364) [0.1853, 0.7833, 0.3133]\n", + " PeriodicSite: S (4.003, 16.29, 16.61) [0.1971, 0.802, 0.8176]\n", + " PeriodicSite: S (13.8, 6.051, 6.291) [0.6793, 0.2979, 0.3097]\n", + " PeriodicSite: S (13.47, 6.332, 16.39) [0.6632, 0.3117, 0.8069]\n", + " PeriodicSite: S (13.86, 16.46, 5.957) [0.6824, 0.8103, 0.2933]\n", + " PeriodicSite: S (14.05, 16.14, 16.89) [0.6918, 0.7946, 0.8316]\n", + " PeriodicSite: S (6.154, 6.124, 4.411) [0.303, 0.3015, 0.2172]\n", + " PeriodicSite: S (6.061, 6.396, 14.21) [0.2984, 0.3149, 0.6995]\n", + " PeriodicSite: S (6.223, 16.23, 4.149) [0.3064, 0.7988, 0.2042]\n", + " PeriodicSite: S (6.54, 16.8, 14.39) [0.322, 0.827, 0.7083]\n", + " PeriodicSite: S (16.11, 6.43, 3.889) [0.7929, 0.3165, 0.1915]\n", + " PeriodicSite: S (16.16, 6.889, 14.24) [0.7958, 0.3392, 0.701]\n", + " PeriodicSite: S (16.56, 16.2, 4.062) [0.8151, 0.7977, 0.2]\n", + " PeriodicSite: S (16.65, 16.05, 14.62) [0.8196, 0.7899, 0.7199]\n", + " PeriodicSite: S (1.008, 8.95, 6.048) [0.04963, 0.4406, 0.2978]\n", + " PeriodicSite: S (1.518, 8.911, 16.31) [0.07473, 0.4387, 0.8028]\n", + " PeriodicSite: S (0.9561, 19.06, 6.293) [0.04706, 0.9385, 0.3098]\n", + " PeriodicSite: S (0.5524, 18.79, 16.91) [0.02719, 0.9251, 0.8327]\n", + " PeriodicSite: S (10.97, 8.724, 6.135) [0.5399, 0.4295, 0.302]\n", + " PeriodicSite: S (11.25, 8.933, 16.02) [0.5537, 0.4398, 0.7885]\n", + " PeriodicSite: S (10.69, 19.32, 6.46) [0.5264, 0.9511, 0.318]\n", + " PeriodicSite: S (10.96, 19.79, 16.74) [0.5396, 0.9742, 0.8244]\n", + " PeriodicSite: S (2.49, 17.76, 2.662) [0.1226, 0.8743, 0.1311]\n", + " PeriodicSite: S (2.364, 17.49, 12.82) [0.1164, 0.861, 0.6311]\n", + " PeriodicSite: S (12.72, 7.545, 12.43) [0.6261, 0.3715, 0.6118]\n", + " PeriodicSite: S (12.85, 17.75, 2.844) [0.6327, 0.8739, 0.14]\n", + " PeriodicSite: S (3.568, 3.981, 3.99) [0.1757, 0.196, 0.1964]\n", + " PeriodicSite: S (3.705, 3.86, 14.04) [0.1824, 0.19, 0.6913]\n", + " PeriodicSite: S (3.925, 13.66, 3.697) [0.1932, 0.6724, 0.182]\n", + " PeriodicSite: S (4.457, 14.38, 13.84) [0.2194, 0.7078, 0.6812]\n", + " PeriodicSite: S (14.15, 3.942, 3.575) [0.6967, 0.1941, 0.176]\n", + " PeriodicSite: S (14.26, 4.296, 13.87) [0.702, 0.2115, 0.6827]\n", + " PeriodicSite: S (13.86, 13.94, 3.838) [0.6826, 0.6864, 0.1889]\n", + " PeriodicSite: S (13.88, 14.1, 14.38) [0.6836, 0.6943, 0.7078]\n", + " PeriodicSite: S (8.736, 1.55, 5.907) [0.4301, 0.0763, 0.2908]\n", + " PeriodicSite: S (8.496, 1.739, 16.22) [0.4183, 0.08561, 0.7987]\n", + " PeriodicSite: S (8.951, 11.26, 6.561) [0.4407, 0.5543, 0.323]\n", + " PeriodicSite: S (8.924, 11.33, 16.11) [0.4393, 0.5576, 0.7932]\n", + " PeriodicSite: S (18.62, 0.8834, 6.219) [0.9166, 0.04348, 0.3062]\n", + " PeriodicSite: S (18.95, 1.171, 16.21) [0.9327, 0.05765, 0.798]\n", + " PeriodicSite: S (19.02, 11.32, 6.175) [0.9362, 0.5574, 0.304]\n", + " PeriodicSite: S (19.53, 11.31, 16.7) [0.9616, 0.5568, 0.8222]\n", + " PeriodicSite: S (0.6968, 1.176, 4.074) [0.0343, 0.05788, 0.2006]\n", + " PeriodicSite: S (1.444, 0.6837, 14.53) [0.07111, 0.03366, 0.7154]\n", + " PeriodicSite: S (0.915, 11.37, 3.772) [0.04504, 0.5598, 0.1857]\n", + " PeriodicSite: S (1.683, 11.21, 14.26) [0.08285, 0.5521, 0.702]\n", + " PeriodicSite: S (11.18, 0.9301, 3.765) [0.5506, 0.04579, 0.1854]\n", + " PeriodicSite: S (11.35, 2.097, 14.61) [0.5586, 0.1032, 0.7192]\n", + " PeriodicSite: S (11.48, 11.41, 4.168) [0.5652, 0.5617, 0.2052]\n", + " PeriodicSite: S (11.26, 11.53, 13.75) [0.5545, 0.5675, 0.6768]\n", + " PeriodicSite: S (6.055, 3.605, 6.271) [0.2981, 0.1775, 0.3087]\n", + " PeriodicSite: S (6.192, 3.827, 16.37) [0.3048, 0.1884, 0.8058]\n", + " PeriodicSite: S (6.274, 13.66, 6.143) [0.3089, 0.6723, 0.3024]\n", + " PeriodicSite: S (6.631, 14.19, 16.6) [0.3265, 0.6988, 0.8173]\n", + " PeriodicSite: S (16.38, 3.721, 5.99) [0.8063, 0.1832, 0.2949]\n", + " PeriodicSite: S (16.25, 4.25, 16.34) [0.7998, 0.2092, 0.8045]\n", + " PeriodicSite: S (15.97, 13.93, 6.366) [0.7861, 0.6858, 0.3134]\n", + " PeriodicSite: S (16.1, 13.63, 16.93) [0.7926, 0.671, 0.8335]\n", + " PeriodicSite: S (7.29, 2.596, 12.67) [0.3589, 0.1278, 0.6238]\n", + " PeriodicSite: S (7.62, 13.0, 2.515) [0.3751, 0.6399, 0.1238]\n", + " PeriodicSite: S (17.83, 2.513, 2.698) [0.8776, 0.1237, 0.1328]\n", + " PeriodicSite: S (17.56, 12.59, 2.612) [0.8646, 0.6197, 0.1286]\n", + " PeriodicSite: S (17.93, 12.71, 12.84) [0.8829, 0.6257, 0.6319]\n", + " PeriodicSite: S (3.886, 9.322, 8.857) [0.1913, 0.4589, 0.4361]\n", + " PeriodicSite: S (3.981, 9.392, 18.97) [0.196, 0.4624, 0.9339]\n", + " PeriodicSite: S (3.919, 19.09, 9.223) [0.1929, 0.94, 0.454]\n", + " PeriodicSite: S (3.947, 18.92, 19.07) [0.1943, 0.9317, 0.9386]\n", + " PeriodicSite: S (14.24, 9.138, 9.062) [0.7009, 0.4499, 0.4461]\n", + " PeriodicSite: S (14.45, 8.897, 18.51) [0.7116, 0.438, 0.9113]\n", + " PeriodicSite: S (13.99, 19.24, 9.059) [0.6888, 0.9473, 0.446]\n", + " PeriodicSite: S (14.04, 19.32, 18.79) [0.6911, 0.951, 0.9248]\n", + " PeriodicSite: S (9.206, 6.477, 1.243) [0.4532, 0.3189, 0.06119]\n", + " PeriodicSite: S (8.592, 6.315, 10.62) [0.423, 0.3109, 0.5227]\n", + " PeriodicSite: S (8.758, 16.71, 1.137) [0.4311, 0.8227, 0.05599]\n", + " PeriodicSite: S (9.024, 16.24, 11.39) [0.4442, 0.7997, 0.5606]\n", + " PeriodicSite: S (19.5, 5.82, 1.662) [0.9599, 0.2865, 0.08181]\n", + " PeriodicSite: S (19.36, 6.633, 11.51) [0.953, 0.3265, 0.5668]\n", + " PeriodicSite: S (18.84, 16.56, 0.6103) [0.9274, 0.8155, 0.03005]\n", + " PeriodicSite: S (19.0, 16.15, 11.16) [0.9354, 0.7949, 0.5493]\n", + " PeriodicSite: S (0.9505, 5.783, 9.027) [0.0468, 0.2847, 0.4444]\n", + " PeriodicSite: S (1.375, 6.302, 19.45) [0.06768, 0.3102, 0.9574]\n", + " PeriodicSite: S (1.091, 15.95, 8.938) [0.05369, 0.7854, 0.44]\n", + " PeriodicSite: S (1.388, 16.45, 19.2) [0.06832, 0.8096, 0.9452]\n", + " PeriodicSite: S (11.38, 6.18, 8.801) [0.5603, 0.3042, 0.4333]\n", + " PeriodicSite: S (11.43, 6.222, 19.18) [0.5625, 0.3063, 0.9443]\n", + " PeriodicSite: S (11.52, 16.05, 9.003) [0.5672, 0.7902, 0.4433]\n", + " PeriodicSite: S (11.64, 16.85, 19.5) [0.5729, 0.8295, 0.96]\n", + " PeriodicSite: S (6.438, 9.025, 1.339) [0.3169, 0.4443, 0.0659]\n", + " PeriodicSite: S (6.411, 8.941, 11.2) [0.3156, 0.4402, 0.5514]\n", + " PeriodicSite: S (6.272, 19.15, 1.262) [0.3088, 0.9426, 0.06211]\n", + " PeriodicSite: S (6.547, 19.39, 11.62) [0.3223, 0.9547, 0.572]\n", + " PeriodicSite: S (16.77, 8.689, 1.035) [0.8254, 0.4278, 0.05096]\n", + " PeriodicSite: S (16.53, 8.658, 11.5) [0.8137, 0.4262, 0.566]\n", + " PeriodicSite: S (16.09, 19.19, 1.195) [0.7919, 0.9449, 0.05883]\n", + " PeriodicSite: S (16.62, 19.3, 11.42) [0.8181, 0.9503, 0.5623]\n", + " PeriodicSite: S (7.354, 7.854, 17.77) [0.362, 0.3867, 0.8747]\n", + " PeriodicSite: S (7.327, 17.67, 7.954) [0.3607, 0.8697, 0.3916]\n", + " PeriodicSite: S (17.45, 7.436, 7.788) [0.859, 0.3661, 0.3834]\n", + " PeriodicSite: S (17.6, 17.67, 7.605) [0.8662, 0.8699, 0.3744]\n", + " PeriodicSite: P (5.051, 20.08, 20.2) [0.2487, 0.9887, 0.9947]\n", + " PeriodicSite: P (5.156, 20.3, 10.28) [0.2538, 0.9996, 0.5061]\n", + " PeriodicSite: P (5.217, 10.4, 0.1267) [0.2568, 0.5121, 0.00624]\n", + " PeriodicSite: P (5.121, 10.29, 10.11) [0.2521, 0.5068, 0.4978]\n", + " PeriodicSite: P (15.15, 0.179, 20.13) [0.7459, 0.008805, 0.991]\n", + " PeriodicSite: P (15.2, 0.03855, 10.32) [0.7481, 0.001892, 0.508]\n", + " PeriodicSite: P (15.59, 9.825, 20.04) [0.7675, 0.4837, 0.9865]\n", + " PeriodicSite: P (15.45, 10.07, 10.31) [0.7607, 0.4956, 0.5076]\n", + " PeriodicSite: P (4.829, 5.018, 5.379) [0.2377, 0.247, 0.2648]\n", + " PeriodicSite: P (4.989, 5.041, 15.24) [0.2456, 0.2482, 0.7504]\n", + " PeriodicSite: P (4.993, 14.87, 5.076) [0.2458, 0.7319, 0.2499]\n", + " PeriodicSite: P (5.481, 15.44, 15.34) [0.2698, 0.76, 0.7553]\n", + " PeriodicSite: P (15.04, 5.07, 5.002) [0.7405, 0.2496, 0.2462]\n", + " PeriodicSite: P (15.04, 5.556, 15.28) [0.7404, 0.2735, 0.7522]\n", + " PeriodicSite: P (15.03, 15.16, 5.042) [0.74, 0.7462, 0.2482]\n", + " PeriodicSite: P (15.26, 15.01, 15.7) [0.7511, 0.7389, 0.7729]\n", + " PeriodicSite: P (19.97, 20.01, 5.1) [0.9834, 0.9851, 0.2511]\n", + " PeriodicSite: P (20.16, 20.14, 15.52) [0.9926, 0.9916, 0.7639]\n", + " PeriodicSite: P (20.06, 10.07, 4.92) [0.9875, 0.4959, 0.2422]\n", + " PeriodicSite: P (0.2565, 10.17, 15.27) [0.01263, 0.5006, 0.7516]\n", + " PeriodicSite: P (9.858, 0.08607, 4.987) [0.4853, 0.004233, 0.2455]\n", + " PeriodicSite: P (10.03, 0.7597, 15.38) [0.4937, 0.0374, 0.7572]\n", + " PeriodicSite: P (10.02, 10.33, 5.176) [0.4935, 0.5084, 0.2548]\n", + " PeriodicSite: P (10.11, 10.29, 14.88) [0.4979, 0.5068, 0.7325]\n", + " PeriodicSite: P (0.1342, 5.052, 0.06082) [0.006603, 0.2487, 0.002995]\n", + " PeriodicSite: P (19.98, 4.973, 10.36) [0.9838, 0.2448, 0.51]\n", + " PeriodicSite: P (0.1309, 15.38, 0.1683) [0.006436, 0.7572, 0.008285]\n", + " PeriodicSite: P (20.05, 14.89, 9.95) [0.9871, 0.733, 0.4899]\n", + " PeriodicSite: P (10.23, 5.039, 0.1536) [0.5036, 0.2481, 0.007566]\n", + " PeriodicSite: P (9.934, 5.052, 9.948) [0.4891, 0.2487, 0.4897]\n", + " PeriodicSite: P (10.19, 15.63, 0.01945) [0.5015, 0.7692, 0.0009616]\n", + " PeriodicSite: P (10.41, 14.94, 10.37) [0.5126, 0.7356, 0.5105],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.421, 5.535, 3.326) [0.06998, 0.2725, 0.1637]\n", + " PeriodicSite: Li (2.093, 2.507, 15.5) [0.103, 0.1234, 0.7629]\n", + " PeriodicSite: Li (0.2127, 12.26, 7.772) [0.01047, 0.6034, 0.3826]\n", + " PeriodicSite: Li (1.206, 13.8, 17.28) [0.05937, 0.6792, 0.8509]\n", + " PeriodicSite: Li (14.66, 0.527, 7.234) [0.7215, 0.02594, 0.3561]\n", + " PeriodicSite: Li (11.82, 4.061, 15.83) [0.5817, 0.1999, 0.7791]\n", + " PeriodicSite: Li (17.5, 12.03, 4.651) [0.8613, 0.5923, 0.229]\n", + " PeriodicSite: Li (17.17, 8.433, 15.69) [0.8452, 0.4152, 0.7722]\n", + " PeriodicSite: Li (5.146, 4.284, 8.432) [0.2533, 0.2109, 0.4151]\n", + " PeriodicSite: Li (2.152, 1.157, 19.89) [0.1059, 0.05694, 0.9793]\n", + " PeriodicSite: Li (4.978, 7.894, 6.235) [0.2451, 0.3886, 0.307]\n", + " PeriodicSite: Li (7.053, 10.03, 16.74) [0.3472, 0.4936, 0.8242]\n", + " PeriodicSite: Li (12.17, 4.45, 6.69) [0.5991, 0.219, 0.3294]\n", + " PeriodicSite: Li (13.0, 4.022, 19.79) [0.6399, 0.198, 0.9744]\n", + " PeriodicSite: Li (11.94, 10.3, 11.79) [0.5878, 0.5073, 0.5807]\n", + " PeriodicSite: Li (9.789, 18.78, 18.43) [0.4819, 0.9248, 0.9071]\n", + " PeriodicSite: Li (4.651, 1.465, 6.916) [0.229, 0.07213, 0.3405]\n", + " PeriodicSite: Li (2.715, 20.17, 16.39) [0.1337, 0.9928, 0.8069]\n", + " PeriodicSite: Li (3.201, 10.35, 6.957) [0.1576, 0.5096, 0.3425]\n", + " PeriodicSite: Li (6.754, 10.11, 13.29) [0.3325, 0.4976, 0.6545]\n", + " PeriodicSite: Li (12.66, 0.6579, 9.371) [0.6235, 0.03238, 0.4613]\n", + " PeriodicSite: Li (10.33, 1.843, 18.36) [0.5087, 0.09071, 0.9041]\n", + " PeriodicSite: Li (13.69, 15.61, 8.448) [0.6738, 0.7686, 0.4159]\n", + " PeriodicSite: Li (12.65, 10.44, 19.41) [0.6227, 0.5139, 0.9554]\n", + " PeriodicSite: Li (1.799, 3.977, 6.285) [0.08856, 0.1958, 0.3094]\n", + " PeriodicSite: Li (0.005356, 2.286, 18.31) [0.0002676, 0.1126, 0.9014]\n", + " PeriodicSite: Li (1.604, 14.77, 6.987) [0.07897, 0.7274, 0.344]\n", + " PeriodicSite: Li (4.998, 13.51, 18.62) [0.2461, 0.6652, 0.9168]\n", + " PeriodicSite: Li (12.82, 1.447, 5.244) [0.6309, 0.07122, 0.2582]\n", + " PeriodicSite: Li (13.39, 0.4879, 16.77) [0.6594, 0.02402, 0.8255]\n", + " PeriodicSite: Li (10.5, 12.1, 8.339) [0.5171, 0.5955, 0.4106]\n", + " PeriodicSite: Li (15.42, 17.55, 19.74) [0.7592, 0.8639, 0.9719]\n", + " PeriodicSite: Li (7.107, 0.7381, 4.541) [0.3499, 0.03634, 0.2236]\n", + " PeriodicSite: Li (1.792, 18.26, 0.3047) [0.0882, 0.8992, 0.015]\n", + " PeriodicSite: Li (2.776, 14.22, 9.815) [0.1366, 0.7002, 0.4832]\n", + " PeriodicSite: Li (1.959, 17.01, 14.96) [0.09645, 0.8374, 0.7364]\n", + " PeriodicSite: Li (14.8, 3.568, 7.968) [0.7289, 0.1756, 0.3923]\n", + " PeriodicSite: Li (15.14, 3.34, 18.09) [0.7452, 0.1644, 0.8904]\n", + " PeriodicSite: Li (16.84, 14.97, 8.585) [0.8292, 0.7368, 0.4227]\n", + " PeriodicSite: Li (10.6, 12.72, 18.75) [0.5221, 0.6262, 0.9232]\n", + " PeriodicSite: Li (4.965, 2.135, 3.371) [0.2445, 0.1051, 0.1659]\n", + " PeriodicSite: Li (4.763, 1.606, 17.39) [0.2345, 0.07906, 0.856]\n", + " PeriodicSite: Li (2.643, 12.22, 4.954) [0.1301, 0.6017, 0.2439]\n", + " PeriodicSite: Li (19.82, 13.28, 3.109) [0.9757, 0.6537, 0.153]\n", + " PeriodicSite: Li (10.49, 1.519, 7.964) [0.5165, 0.07476, 0.3921]\n", + " PeriodicSite: Li (16.94, 20.22, 16.87) [0.8338, 0.9955, 0.8303]\n", + " PeriodicSite: Li (15.09, 11.95, 3.367) [0.7428, 0.5884, 0.1658]\n", + " PeriodicSite: Li (14.22, 8.752, 16.48) [0.7002, 0.4309, 0.8111]\n", + " PeriodicSite: Li (3.329, 12.44, 15.35) [0.1639, 0.6127, 0.7558]\n", + " PeriodicSite: Li (2.315, 10.94, 9.83) [0.114, 0.5384, 0.4839]\n", + " PeriodicSite: Li (0.2346, 16.75, 2.599) [0.01154, 0.8245, 0.1279]\n", + " PeriodicSite: Li (1.958, 0.4055, 9.526) [0.09638, 0.01996, 0.469]\n", + " PeriodicSite: Li (12.1, 5.171, 3.371) [0.5959, 0.2546, 0.166]\n", + " PeriodicSite: Li (11.83, 7.035, 14.8) [0.5824, 0.3464, 0.7287]\n", + " PeriodicSite: Li (11.61, 15.1, 6.66) [0.5716, 0.7436, 0.3279]\n", + " PeriodicSite: Li (13.95, 19.07, 13.96) [0.6868, 0.939, 0.687]\n", + " PeriodicSite: Li (3.447, 6.723, 0.5438) [0.1697, 0.331, 0.02677]\n", + " PeriodicSite: Li (2.726, 4.571, 10.32) [0.1342, 0.225, 0.5082]\n", + " PeriodicSite: Li (7.277, 17.19, 20.16) [0.3583, 0.8464, 0.9923]\n", + " PeriodicSite: Li (4.959, 18.35, 16.41) [0.2441, 0.9036, 0.8079]\n", + " PeriodicSite: Li (14.78, 6.923, 1.678) [0.7278, 0.3408, 0.08262]\n", + " PeriodicSite: Li (10.4, 8.005, 11.93) [0.5119, 0.3941, 0.5873]\n", + " PeriodicSite: Li (12.84, 18.77, 4.737) [0.632, 0.9239, 0.2332]\n", + " PeriodicSite: Li (10.3, 17.55, 13.47) [0.507, 0.8642, 0.6633]\n", + " PeriodicSite: Li (3.708, 10.21, 16.79) [0.1826, 0.5025, 0.8265]\n", + " PeriodicSite: Li (4.475, 7.154, 11.89) [0.2203, 0.3522, 0.5852]\n", + " PeriodicSite: Li (4.836, 18.41, 3.581) [0.2381, 0.9061, 0.1763]\n", + " PeriodicSite: Li (2.271, 18.08, 10.39) [0.1118, 0.8902, 0.5115]\n", + " PeriodicSite: Li (10.78, 7.78, 0.407) [0.5307, 0.383, 0.02004]\n", + " PeriodicSite: Li (12.6, 5.097, 12.12) [0.6205, 0.2509, 0.5968]\n", + " PeriodicSite: Li (12.05, 15.77, 3.243) [0.5931, 0.7764, 0.1597]\n", + " PeriodicSite: Li (13.83, 15.26, 12.32) [0.6809, 0.7512, 0.6067]\n", + " PeriodicSite: Li (19.68, 8.556, 1.727) [0.9689, 0.4212, 0.085]\n", + " PeriodicSite: Li (17.13, 6.238, 9.918) [0.8431, 0.3071, 0.4883]\n", + " PeriodicSite: Li (2.135, 17.25, 4.737) [0.1051, 0.8491, 0.2332]\n", + " PeriodicSite: Li (0.9939, 19.49, 12.91) [0.04893, 0.9593, 0.6357]\n", + " PeriodicSite: Li (9.625, 7.513, 4.416) [0.4738, 0.3698, 0.2174]\n", + " PeriodicSite: Li (14.21, 9.131, 13.34) [0.6994, 0.4495, 0.6567]\n", + " PeriodicSite: Li (13.37, 16.29, 0.9757) [0.6582, 0.8018, 0.04804]\n", + " PeriodicSite: Li (11.63, 15.81, 16.47) [0.5728, 0.7786, 0.8107]\n", + " PeriodicSite: Li (6.317, 9.447, 3.504) [0.311, 0.4651, 0.1725]\n", + " PeriodicSite: Li (20.1, 12.94, 13.58) [0.9895, 0.6371, 0.6688]\n", + " PeriodicSite: Li (18.47, 16.3, 5.444) [0.9094, 0.8025, 0.268]\n", + " PeriodicSite: Li (4.27, 18.87, 13.03) [0.2102, 0.929, 0.6416]\n", + " PeriodicSite: Li (17.04, 10.29, 2.771) [0.8388, 0.5068, 0.1364]\n", + " PeriodicSite: Li (13.08, 7.168, 10.05) [0.6439, 0.3529, 0.4948]\n", + " PeriodicSite: Li (12.02, 19.37, 0.004873) [0.5916, 0.9535, 0.0002448]\n", + " PeriodicSite: Li (13.44, 17.46, 10.79) [0.6615, 0.8598, 0.531]\n", + " PeriodicSite: Li (3.517, 3.633, 0.02597) [0.1731, 0.1789, 0.00128]\n", + " PeriodicSite: Li (3.333, 9.911, 13.83) [0.1641, 0.4879, 0.681]\n", + " PeriodicSite: Li (2.746, 20.19, 3.026) [0.1352, 0.9938, 0.149]\n", + " PeriodicSite: Li (0.4084, 16.47, 12.82) [0.0201, 0.8108, 0.6312]\n", + " PeriodicSite: Li (13.0, 9.083, 4.114) [0.6398, 0.4471, 0.2025]\n", + " PeriodicSite: Li (14.93, 6.583, 12.09) [0.7352, 0.3241, 0.5953]\n", + " PeriodicSite: Li (15.42, 18.26, 3.534) [0.7592, 0.899, 0.174]\n", + " PeriodicSite: Li (19.33, 4.147, 12.96) [0.9515, 0.2041, 0.6378]\n", + " PeriodicSite: Li (9.456, 3.062, 3.679) [0.4655, 0.1508, 0.1811]\n", + " PeriodicSite: Li (9.786, 1.482, 12.32) [0.4818, 0.07298, 0.6063]\n", + " PeriodicSite: Li (5.744, 12.22, 4.16) [0.2828, 0.6016, 0.2048]\n", + " PeriodicSite: Li (6.465, 12.61, 14.83) [0.3183, 0.6207, 0.7303]\n", + " PeriodicSite: Li (18.69, 3.144, 4.434) [0.92, 0.1548, 0.2183]\n", + " PeriodicSite: Li (12.46, 3.999, 9.359) [0.6136, 0.1969, 0.4608]\n", + " PeriodicSite: Li (18.95, 11.82, 0.7203) [0.933, 0.582, 0.03547]\n", + " PeriodicSite: Li (17.17, 10.33, 13.34) [0.8453, 0.5084, 0.6568]\n", + " PeriodicSite: Li (6.008, 18.4, 6.033) [0.2958, 0.9059, 0.297]\n", + " PeriodicSite: Li (8.426, 3.378, 14.76) [0.4148, 0.1663, 0.7266]\n", + " PeriodicSite: Li (8.03, 14.17, 0.07021) [0.3953, 0.6975, 0.00346]\n", + " PeriodicSite: Li (9.794, 12.68, 13.22) [0.4822, 0.6245, 0.651]\n", + " PeriodicSite: Li (13.96, 0.08479, 2.623) [0.6872, 0.004168, 0.1291]\n", + " PeriodicSite: Li (18.83, 1.552, 11.08) [0.9268, 0.0764, 0.5454]\n", + " PeriodicSite: Li (16.89, 15.12, 1.737) [0.8315, 0.7444, 0.0855]\n", + " PeriodicSite: Li (16.82, 15.14, 12.2) [0.8282, 0.7452, 0.6008]\n", + " PeriodicSite: Li (7.868, 5.081, 6.69) [0.3874, 0.2501, 0.3294]\n", + " PeriodicSite: Li (7.291, 0.7262, 13.8) [0.3589, 0.03575, 0.6795]\n", + " PeriodicSite: Li (9.913, 12.23, 3.117) [0.488, 0.6019, 0.1534]\n", + " PeriodicSite: Li (5.754, 13.4, 11.46) [0.2833, 0.6599, 0.5642]\n", + " PeriodicSite: Li (19.97, 2.552, 2.134) [0.9831, 0.1257, 0.1051]\n", + " PeriodicSite: Li (0.02305, 8.281, 12.11) [0.001135, 0.4077, 0.596]\n", + " PeriodicSite: Li (16.0, 13.05, 0.4811) [0.7879, 0.6422, 0.02369]\n", + " PeriodicSite: Li (15.5, 12.42, 13.85) [0.7633, 0.6115, 0.6819]\n", + " PeriodicSite: Li (2.578, 0.001784, 5.912) [0.1269, 8.713e-05, 0.2911]\n", + " PeriodicSite: Li (4.775, 1.799, 13.66) [0.2351, 0.08859, 0.6726]\n", + " PeriodicSite: Li (5.666, 13.07, 0.8715) [0.279, 0.6436, 0.04291]\n", + " PeriodicSite: Li (7.994, 6.924, 15.5) [0.3936, 0.3409, 0.7631]\n", + " PeriodicSite: Li (17.63, 5.021, 1.596) [0.8679, 0.2472, 0.07858]\n", + " PeriodicSite: Li (17.08, 20.11, 13.51) [0.8408, 0.9902, 0.6651]\n", + " PeriodicSite: Li (14.03, 14.39, 18.57) [0.6908, 0.7086, 0.914]\n", + " PeriodicSite: Li (18.54, 12.12, 10.59) [0.9129, 0.5967, 0.5212]\n", + " PeriodicSite: Li (6.992, 3.869, 0.8687) [0.3442, 0.1905, 0.04277]\n", + " PeriodicSite: Li (5.554, 2.668, 11.16) [0.2734, 0.1313, 0.5495]\n", + " PeriodicSite: Li (7.922, 10.81, 0.8031) [0.39, 0.532, 0.03954]\n", + " PeriodicSite: Li (8.362, 11.4, 10.29) [0.4117, 0.5613, 0.5064]\n", + " PeriodicSite: Li (16.03, 1.906, 4.029) [0.789, 0.09381, 0.1984]\n", + " PeriodicSite: Li (15.76, 3.228, 11.34) [0.7758, 0.1589, 0.5581]\n", + " PeriodicSite: Li (1.647, 9.515, 18.76) [0.08109, 0.4684, 0.9237]\n", + " PeriodicSite: Li (18.11, 13.97, 14.97) [0.8918, 0.6877, 0.7371]\n", + " PeriodicSite: Li (7.868, 0.4871, 0.536) [0.3874, 0.02398, 0.02639]\n", + " PeriodicSite: Li (8.338, 2.557, 10.52) [0.4105, 0.1259, 0.518]\n", + " PeriodicSite: Li (8.282, 14.27, 4.399) [0.4077, 0.7027, 0.2166]\n", + " PeriodicSite: Li (3.901, 15.93, 12.01) [0.192, 0.7844, 0.5911]\n", + " PeriodicSite: Li (15.63, 3.125, 1.093) [0.7693, 0.1538, 0.05383]\n", + " PeriodicSite: Li (1.789, 6.418, 14.86) [0.08807, 0.316, 0.7316]\n", + " PeriodicSite: Li (4.784, 13.61, 8.14) [0.2355, 0.6699, 0.4007]\n", + " PeriodicSite: Li (13.61, 13.0, 9.942) [0.6698, 0.6398, 0.4895]\n", + " PeriodicSite: Li (13.98, 11.88, 5.768) [0.6884, 0.5847, 0.284]\n", + " PeriodicSite: Li (5.372, 7.54, 17.37) [0.2645, 0.3712, 0.8552]\n", + " PeriodicSite: Li (7.213, 16.78, 10.3) [0.3551, 0.8263, 0.5071]\n", + " PeriodicSite: Li (3.757, 16.44, 19.2) [0.185, 0.8094, 0.9452]\n", + " PeriodicSite: Li (16.65, 9.913, 7.185) [0.8195, 0.488, 0.3537]\n", + " PeriodicSite: Li (1.947, 4.65, 17.35) [0.09585, 0.2289, 0.8541]\n", + " PeriodicSite: Li (17.09, 19.41, 5.706) [0.8411, 0.9556, 0.2809]\n", + " PeriodicSite: Li (19.52, 17.94, 18.93) [0.9608, 0.8833, 0.9317]\n", + " PeriodicSite: Li (6.589, 10.43, 6.941) [0.3244, 0.5134, 0.3417]\n", + " PeriodicSite: Li (9.281, 5.792, 17.82) [0.4569, 0.2851, 0.8774]\n", + " PeriodicSite: Li (7.927, 20.06, 8.021) [0.3902, 0.9875, 0.3949]\n", + " PeriodicSite: Li (8.433, 16.39, 15.88) [0.4152, 0.8069, 0.7819]\n", + " PeriodicSite: Li (18.18, 9.364, 9.12) [0.8953, 0.461, 0.449]\n", + " PeriodicSite: Li (16.65, 6.602, 18.95) [0.8198, 0.325, 0.9329]\n", + " PeriodicSite: Li (18.17, 20.13, 8.019) [0.8945, 0.991, 0.3948]\n", + " PeriodicSite: Li (18.94, 17.2, 15.98) [0.9327, 0.8466, 0.7866]\n", + " PeriodicSite: Li (6.258, 6.995, 9.658) [0.3081, 0.3444, 0.4755]\n", + " PeriodicSite: Li (4.717, 4.622, 18.21) [0.2322, 0.2275, 0.8966]\n", + " PeriodicSite: Li (9.549, 18.44, 9.741) [0.4701, 0.9076, 0.4796]\n", + " PeriodicSite: Li (13.76, 12.21, 15.75) [0.6773, 0.6009, 0.7756]\n", + " PeriodicSite: Li (0.1523, 8.061, 8.092) [0.007498, 0.3968, 0.3984]\n", + " PeriodicSite: Li (19.12, 5.572, 16.78) [0.9415, 0.2743, 0.8263]\n", + " PeriodicSite: Li (16.55, 17.25, 9.729) [0.8148, 0.8491, 0.479]\n", + " PeriodicSite: Li (17.34, 15.02, 18.83) [0.8535, 0.7396, 0.9271]\n", + " PeriodicSite: Li (9.615, 7.935, 7.795) [0.4734, 0.3906, 0.3837]\n", + " PeriodicSite: Li (4.694, 5.577, 2.65) [0.2311, 0.2746, 0.1305]\n", + " PeriodicSite: Li (5.133, 17.22, 8.76) [0.2527, 0.8478, 0.4313]\n", + " PeriodicSite: Li (6.725, 15.44, 2.103) [0.3311, 0.7603, 0.1035]\n", + " PeriodicSite: Li (15.5, 6.942, 7.572) [0.7633, 0.3418, 0.3728]\n", + " PeriodicSite: Li (18.73, 9.407, 18.65) [0.9219, 0.4631, 0.9182]\n", + " PeriodicSite: Li (15.16, 18.25, 6.695) [0.7464, 0.8985, 0.3296]\n", + " PeriodicSite: Li (15.33, 18.39, 16.87) [0.7549, 0.9053, 0.8303]\n", + " PeriodicSite: Li (7.015, 4.862, 12.14) [0.3454, 0.2394, 0.5977]\n", + " PeriodicSite: Li (6.83, 7.1, 19.78) [0.3362, 0.3495, 0.9736]\n", + " PeriodicSite: Li (8.766, 17.27, 6.008) [0.4316, 0.8503, 0.2958]\n", + " PeriodicSite: Li (10.2, 18.22, 2.73) [0.5019, 0.897, 0.1344]\n", + " PeriodicSite: Li (17.06, 8.286, 5.216) [0.8397, 0.4079, 0.2568]\n", + " PeriodicSite: Li (13.4, 6.385, 18.68) [0.6598, 0.3143, 0.9197]\n", + " PeriodicSite: Li (19.63, 18.12, 8.143) [0.9666, 0.892, 0.4009]\n", + " PeriodicSite: Li (18.15, 0.4073, 1.525) [0.8935, 0.02004, 0.07509]\n", + " PeriodicSite: Li (3.027, 9.738, 3.351) [0.149, 0.4794, 0.165]\n", + " PeriodicSite: Li (9.604, 9.072, 17.75) [0.4728, 0.4466, 0.8736]\n", + " PeriodicSite: Li (7.165, 15.45, 8.179) [0.3528, 0.7606, 0.4027]\n", + " PeriodicSite: Li (7.024, 20.04, 16.85) [0.3458, 0.9864, 0.8294]\n", + " PeriodicSite: Li (18.46, 5.386, 6.892) [0.909, 0.2652, 0.3393]\n", + " PeriodicSite: Li (16.48, 11.65, 16.51) [0.8111, 0.5734, 0.8129]\n", + " PeriodicSite: Li (3.586, 15.53, 1.951) [0.1766, 0.7648, 0.09605]\n", + " PeriodicSite: Li (15.97, 2.503, 14.9) [0.7861, 0.1232, 0.7336]\n", + " PeriodicSite: Cl (7.66, 12.25, 12.66) [0.3771, 0.6033, 0.6231]\n", + " PeriodicSite: Cl (3.107, 12.78, 17.58) [0.1529, 0.6294, 0.8653]\n", + " PeriodicSite: Cl (12.71, 17.34, 12.8) [0.6259, 0.8536, 0.6304]\n", + " PeriodicSite: Cl (18.12, 7.544, 17.59) [0.892, 0.3714, 0.8661]\n", + " PeriodicSite: Cl (7.078, 2.497, 2.654) [0.3485, 0.1229, 0.1307]\n", + " PeriodicSite: Cl (7.398, 7.218, 7.758) [0.3642, 0.3553, 0.3819]\n", + " PeriodicSite: Cl (12.66, 13.17, 7.674) [0.6234, 0.6484, 0.3778]\n", + " PeriodicSite: Cl (2.743, 7.524, 2.892) [0.135, 0.3704, 0.1424]\n", + " PeriodicSite: Cl (2.452, 7.849, 12.79) [0.1207, 0.3864, 0.6299]\n", + " PeriodicSite: Cl (12.68, 12.73, 17.76) [0.6241, 0.6265, 0.8743]\n", + " PeriodicSite: Cl (17.21, 17.91, 18.07) [0.8472, 0.8816, 0.8897]\n", + " PeriodicSite: Cl (2.387, 1.829, 7.413) [0.1175, 0.09005, 0.365]\n", + " PeriodicSite: Cl (12.71, 2.534, 17.89) [0.6259, 0.1247, 0.8805]\n", + " PeriodicSite: Cl (12.49, 7.804, 2.143) [0.6151, 0.3842, 0.1055]\n", + " PeriodicSite: Cl (17.8, 2.526, 13.11) [0.8764, 0.1243, 0.6454]\n", + " PeriodicSite: Cl (7.699, 17.92, 17.87) [0.379, 0.8821, 0.8799]\n", + " PeriodicSite: Cl (0.1347, 0.1494, 0.03836) [0.006633, 0.007353, 0.001888]\n", + " PeriodicSite: Cl (20.2, 19.82, 9.845) [0.9947, 0.9759, 0.4847]\n", + " PeriodicSite: Cl (0.09245, 9.939, 20.27) [0.004552, 0.4893, 0.9978]\n", + " PeriodicSite: Cl (0.02536, 10.15, 9.921) [0.001246, 0.4998, 0.4884]\n", + " PeriodicSite: Cl (9.988, 20.19, 20.23) [0.4917, 0.9939, 0.9959]\n", + " PeriodicSite: Cl (9.981, 0.3815, 9.96) [0.4914, 0.01878, 0.4903]\n", + " PeriodicSite: Cl (10.34, 10.39, 19.94) [0.5093, 0.5113, 0.9817]\n", + " PeriodicSite: Cl (10.32, 10.09, 9.916) [0.5082, 0.4969, 0.4882]\n", + " PeriodicSite: Cl (20.22, 4.918, 5.334) [0.9956, 0.2421, 0.2626]\n", + " PeriodicSite: Cl (0.2016, 4.172, 15.08) [0.009927, 0.2054, 0.7423]\n", + " PeriodicSite: Cl (0.4267, 15.29, 5.023) [0.021, 0.7527, 0.2473]\n", + " PeriodicSite: Cl (0.3631, 15.16, 15.29) [0.01787, 0.7462, 0.7528]\n", + " PeriodicSite: Cl (10.3, 5.301, 4.983) [0.5068, 0.261, 0.2453]\n", + " PeriodicSite: Cl (10.12, 5.509, 15.55) [0.4984, 0.2712, 0.7658]\n", + " PeriodicSite: Cl (10.02, 15.32, 5.135) [0.4934, 0.7541, 0.2528]\n", + " PeriodicSite: Cl (10.3, 15.77, 14.8) [0.507, 0.7766, 0.7284]\n", + " PeriodicSite: S (4.81, 20.23, 4.937) [0.2368, 0.9959, 0.2431]\n", + " PeriodicSite: S (5.003, 0.1829, 15.4) [0.2463, 0.009002, 0.7583]\n", + " PeriodicSite: S (4.614, 10.39, 5.135) [0.2271, 0.5113, 0.2528]\n", + " PeriodicSite: S (5.176, 10.65, 15.14) [0.2548, 0.5245, 0.7455]\n", + " PeriodicSite: S (14.81, 20.12, 5.002) [0.7292, 0.9905, 0.2463]\n", + " PeriodicSite: S (15.28, 0.1498, 15.29) [0.7524, 0.007369, 0.7529]\n", + " PeriodicSite: S (15.36, 10.02, 4.938) [0.7561, 0.4933, 0.2431]\n", + " PeriodicSite: S (15.34, 10.4, 15.03) [0.7551, 0.512, 0.74]\n", + " PeriodicSite: S (5.219, 5.369, 20.28) [0.2569, 0.2643, 0.9984]\n", + " PeriodicSite: S (5.041, 5.224, 10.41) [0.2482, 0.2572, 0.5123]\n", + " PeriodicSite: S (5.405, 15.32, 0.06962) [0.2661, 0.754, 0.00343]\n", + " PeriodicSite: S (5.077, 15.29, 9.984) [0.2499, 0.7527, 0.4915]\n", + " PeriodicSite: S (14.97, 4.945, 20.09) [0.737, 0.2434, 0.9892]\n", + " PeriodicSite: S (14.68, 5.3, 9.99) [0.7226, 0.2609, 0.4918]\n", + " PeriodicSite: S (15.61, 15.32, 20.23) [0.7685, 0.754, 0.9957]\n", + " PeriodicSite: S (15.25, 15.36, 10.43) [0.7507, 0.7563, 0.5132]\n", + " PeriodicSite: S (8.663, 3.858, 8.542) [0.4265, 0.19, 0.4205]\n", + " PeriodicSite: S (8.655, 3.863, 19.42) [0.4261, 0.1902, 0.9559]\n", + " PeriodicSite: S (8.998, 14.22, 8.897) [0.443, 0.7, 0.438]\n", + " PeriodicSite: S (9.644, 14.75, 18.71) [0.4748, 0.7263, 0.9211]\n", + " PeriodicSite: S (18.58, 4.046, 8.87) [0.9146, 0.1992, 0.4367]\n", + " PeriodicSite: S (19.33, 4.273, 19.01) [0.9515, 0.2104, 0.936]\n", + " PeriodicSite: S (18.94, 13.98, 9.039) [0.9323, 0.6882, 0.445]\n", + " PeriodicSite: S (19.53, 13.8, 19.35) [0.9616, 0.6794, 0.9524]\n", + " PeriodicSite: S (3.731, 1.21, 1.009) [0.1837, 0.05959, 0.04967]\n", + " PeriodicSite: S (3.792, 0.9937, 11.45) [0.1867, 0.04892, 0.5635]\n", + " PeriodicSite: S (3.832, 11.35, 1.277) [0.1887, 0.5586, 0.06287]\n", + " PeriodicSite: S (4.114, 11.72, 11.34) [0.2025, 0.577, 0.5585]\n", + " PeriodicSite: S (13.95, 1.523, 0.8842) [0.6866, 0.07499, 0.04354]\n", + " PeriodicSite: S (14.19, 1.11, 11.5) [0.6984, 0.05463, 0.566]\n", + " PeriodicSite: S (14.38, 11.32, 0.6995) [0.7079, 0.5572, 0.03444]\n", + " PeriodicSite: S (14.36, 10.99, 11.72) [0.7068, 0.5409, 0.5769]\n", + " PeriodicSite: S (6.012, 1.034, 9.066) [0.296, 0.05088, 0.4463]\n", + " PeriodicSite: S (6.276, 1.139, 19.3) [0.309, 0.05607, 0.9499]\n", + " PeriodicSite: S (6.175, 11.71, 8.911) [0.304, 0.5764, 0.4387]\n", + " PeriodicSite: S (6.192, 11.45, 18.99) [0.3048, 0.5637, 0.9351]\n", + " PeriodicSite: S (16.66, 1.186, 9.207) [0.8202, 0.05839, 0.4533]\n", + " PeriodicSite: S (16.49, 1.271, 19.08) [0.812, 0.06255, 0.9394]\n", + " PeriodicSite: S (16.66, 11.23, 9.305) [0.8202, 0.5528, 0.4581]\n", + " PeriodicSite: S (17.22, 11.2, 19.41) [0.8477, 0.5513, 0.9554]\n", + " PeriodicSite: S (1.469, 3.664, 1.037) [0.07234, 0.1804, 0.05106]\n", + " PeriodicSite: S (0.7528, 3.52, 11.18) [0.03706, 0.1733, 0.5503]\n", + " PeriodicSite: S (0.9457, 14.46, 1.857) [0.04655, 0.7119, 0.09143]\n", + " PeriodicSite: S (0.9795, 14.06, 11.45) [0.04822, 0.6923, 0.5635]\n", + " PeriodicSite: S (11.32, 3.996, 1.482) [0.5571, 0.1967, 0.07299]\n", + " PeriodicSite: S (10.84, 3.731, 11.14) [0.5338, 0.1837, 0.5482]\n", + " PeriodicSite: S (11.83, 14.39, 1.209) [0.5823, 0.7086, 0.05952]\n", + " PeriodicSite: S (11.41, 13.89, 11.16) [0.5616, 0.684, 0.5493]\n", + " PeriodicSite: S (2.698, 2.627, 17.87) [0.1328, 0.1293, 0.8798]\n", + " PeriodicSite: S (2.441, 12.69, 7.702) [0.1202, 0.6248, 0.3792]\n", + " PeriodicSite: S (12.81, 2.223, 7.678) [0.6306, 0.1095, 0.378]\n", + " PeriodicSite: S (8.95, 9.412, 3.658) [0.4406, 0.4634, 0.1801]\n", + " PeriodicSite: S (8.681, 8.819, 13.82) [0.4274, 0.4342, 0.6805]\n", + " PeriodicSite: S (8.418, 19.02, 4.483) [0.4144, 0.9366, 0.2207]\n", + " PeriodicSite: S (9.012, 19.32, 14.22) [0.4436, 0.9509, 0.7002]\n", + " PeriodicSite: S (19.02, 8.971, 4.059) [0.9363, 0.4416, 0.1998]\n", + " PeriodicSite: S (19.23, 9.072, 14.1) [0.9465, 0.4466, 0.6944]\n", + " PeriodicSite: S (18.67, 18.9, 3.743) [0.9192, 0.9304, 0.1843]\n", + " PeriodicSite: S (19.13, 18.96, 14.29) [0.942, 0.9337, 0.7036]\n", + " PeriodicSite: S (3.858, 5.789, 6.924) [0.1899, 0.285, 0.3409]\n", + " PeriodicSite: S (3.728, 5.883, 16.5) [0.1836, 0.2896, 0.8124]\n", + " PeriodicSite: S (3.838, 16.16, 6.644) [0.1889, 0.7956, 0.3271]\n", + " PeriodicSite: S (3.91, 16.44, 16.64) [0.1925, 0.8095, 0.8194]\n", + " PeriodicSite: S (13.93, 6.102, 5.974) [0.6858, 0.3004, 0.2941]\n", + " PeriodicSite: S (13.6, 6.265, 16.16) [0.6697, 0.3084, 0.7956]\n", + " PeriodicSite: S (13.91, 16.39, 6.071) [0.6849, 0.8069, 0.2989]\n", + " PeriodicSite: S (13.97, 16.46, 16.7) [0.6877, 0.8102, 0.8223]\n", + " PeriodicSite: S (6.012, 6.48, 4.406) [0.296, 0.319, 0.2169]\n", + " PeriodicSite: S (6.108, 6.238, 14.21) [0.3007, 0.3071, 0.6998]\n", + " PeriodicSite: S (6.451, 16.67, 4.114) [0.3176, 0.8207, 0.2025]\n", + " PeriodicSite: S (6.493, 16.9, 14.48) [0.3197, 0.8319, 0.7129]\n", + " PeriodicSite: S (16.3, 5.985, 3.639) [0.8023, 0.2947, 0.1792]\n", + " PeriodicSite: S (16.31, 6.746, 14.12) [0.8031, 0.3321, 0.6953]\n", + " PeriodicSite: S (16.39, 16.16, 3.929) [0.8068, 0.7954, 0.1935]\n", + " PeriodicSite: S (16.6, 16.31, 14.55) [0.8173, 0.8027, 0.7162]\n", + " PeriodicSite: S (1.246, 9.115, 6.3) [0.06133, 0.4487, 0.3102]\n", + " PeriodicSite: S (1.4, 8.828, 16.22) [0.06893, 0.4346, 0.7983]\n", + " PeriodicSite: S (0.7572, 18.82, 6.141) [0.03727, 0.9266, 0.3023]\n", + " PeriodicSite: S (0.5824, 18.83, 16.86) [0.02867, 0.9273, 0.8301]\n", + " PeriodicSite: S (11.09, 8.42, 5.943) [0.5458, 0.4145, 0.2926]\n", + " PeriodicSite: S (11.13, 8.834, 16.28) [0.5478, 0.4349, 0.8015]\n", + " PeriodicSite: S (11.14, 19.32, 6.404) [0.5483, 0.951, 0.3153]\n", + " PeriodicSite: S (11.17, 20.01, 17.01) [0.55, 0.9851, 0.8372]\n", + " PeriodicSite: S (2.564, 17.84, 2.561) [0.1262, 0.8784, 0.1261]\n", + " PeriodicSite: S (2.303, 17.71, 12.68) [0.1134, 0.8721, 0.624]\n", + " PeriodicSite: S (12.59, 7.381, 12.5) [0.6197, 0.3634, 0.6152]\n", + " PeriodicSite: S (12.57, 17.96, 2.591) [0.6188, 0.8843, 0.1276]\n", + " PeriodicSite: S (3.563, 3.974, 4.051) [0.1754, 0.1956, 0.1995]\n", + " PeriodicSite: S (3.757, 3.881, 13.95) [0.185, 0.1911, 0.6867]\n", + " PeriodicSite: S (3.951, 14.23, 4.115) [0.1945, 0.7004, 0.2026]\n", + " PeriodicSite: S (4.471, 14.36, 13.86) [0.2201, 0.7069, 0.6821]\n", + " PeriodicSite: S (13.79, 3.427, 3.844) [0.679, 0.1687, 0.1893]\n", + " PeriodicSite: S (14.34, 4.09, 14.05) [0.7059, 0.2014, 0.6917]\n", + " PeriodicSite: S (13.96, 13.89, 3.94) [0.6873, 0.6838, 0.194]\n", + " PeriodicSite: S (14.07, 14.16, 14.47) [0.6925, 0.6969, 0.7122]\n", + " PeriodicSite: S (8.629, 1.412, 6.314) [0.4248, 0.06952, 0.3109]\n", + " PeriodicSite: S (8.585, 1.46, 16.4) [0.4227, 0.07186, 0.8073]\n", + " PeriodicSite: S (8.917, 11.16, 6.346) [0.439, 0.5493, 0.3124]\n", + " PeriodicSite: S (8.762, 11.38, 16.14) [0.4314, 0.56, 0.7944]\n", + " PeriodicSite: S (18.5, 0.9968, 5.984) [0.9107, 0.04907, 0.2946]\n", + " PeriodicSite: S (19.01, 1.266, 16.39) [0.9357, 0.06234, 0.8068]\n", + " PeriodicSite: S (18.85, 11.23, 6.388) [0.9279, 0.5529, 0.3145]\n", + " PeriodicSite: S (19.61, 11.41, 16.57) [0.9656, 0.5617, 0.8157]\n", + " PeriodicSite: S (0.7492, 1.061, 3.857) [0.03689, 0.05222, 0.1899]\n", + " PeriodicSite: S (1.53, 0.6033, 14.6) [0.07534, 0.0297, 0.7187]\n", + " PeriodicSite: S (0.7968, 11.23, 3.733) [0.03923, 0.5527, 0.1838]\n", + " PeriodicSite: S (1.367, 11.2, 13.81) [0.0673, 0.5514, 0.6798]\n", + " PeriodicSite: S (10.84, 1.088, 3.865) [0.5335, 0.05354, 0.1903]\n", + " PeriodicSite: S (11.09, 1.531, 14.39) [0.5462, 0.07538, 0.7085]\n", + " PeriodicSite: S (11.74, 11.21, 4.383) [0.578, 0.5521, 0.2158]\n", + " PeriodicSite: S (11.31, 11.0, 13.92) [0.557, 0.5415, 0.6853]\n", + " PeriodicSite: S (6.04, 3.608, 6.119) [0.2973, 0.1776, 0.3013]\n", + " PeriodicSite: S (6.211, 3.74, 16.38) [0.3058, 0.1841, 0.8063]\n", + " PeriodicSite: S (6.594, 14.0, 6.105) [0.3246, 0.689, 0.3006]\n", + " PeriodicSite: S (6.704, 14.45, 16.58) [0.3301, 0.7112, 0.8164]\n", + " PeriodicSite: S (16.36, 3.626, 6.028) [0.8053, 0.1785, 0.2968]\n", + " PeriodicSite: S (16.6, 4.457, 16.49) [0.8172, 0.2194, 0.8121]\n", + " PeriodicSite: S (16.3, 13.96, 6.472) [0.8027, 0.6874, 0.3186]\n", + " PeriodicSite: S (16.3, 13.93, 16.88) [0.8027, 0.6856, 0.8312]\n", + " PeriodicSite: S (7.434, 2.609, 12.65) [0.366, 0.1285, 0.6229]\n", + " PeriodicSite: S (7.72, 12.97, 2.131) [0.38, 0.6385, 0.1049]\n", + " PeriodicSite: S (17.56, 2.512, 2.426) [0.8644, 0.1236, 0.1195]\n", + " PeriodicSite: S (17.52, 12.55, 2.47) [0.8623, 0.6177, 0.1216]\n", + " PeriodicSite: S (17.57, 12.87, 13.0) [0.8651, 0.6335, 0.6399]\n", + " PeriodicSite: S (3.819, 9.157, 9.007) [0.188, 0.4508, 0.4434]\n", + " PeriodicSite: S (3.975, 8.836, 18.98) [0.1957, 0.435, 0.9342]\n", + " PeriodicSite: S (3.577, 19.03, 8.896) [0.1761, 0.937, 0.438]\n", + " PeriodicSite: S (3.986, 19.03, 19.15) [0.1962, 0.9371, 0.9428]\n", + " PeriodicSite: S (14.34, 9.047, 8.994) [0.7062, 0.4454, 0.4428]\n", + " PeriodicSite: S (14.6, 9.088, 18.61) [0.719, 0.4474, 0.9164]\n", + " PeriodicSite: S (14.02, 19.34, 8.946) [0.6902, 0.9521, 0.4404]\n", + " PeriodicSite: S (14.06, 19.41, 18.91) [0.6923, 0.9555, 0.9309]\n", + " PeriodicSite: S (8.891, 6.378, 1.371) [0.4377, 0.314, 0.06752]\n", + " PeriodicSite: S (8.867, 6.378, 11.08) [0.4365, 0.314, 0.5456]\n", + " PeriodicSite: S (9.062, 16.56, 1.271) [0.4461, 0.8152, 0.06259]\n", + " PeriodicSite: S (9.215, 16.49, 11.42) [0.4537, 0.812, 0.5625]\n", + " PeriodicSite: S (19.69, 5.981, 1.637) [0.9692, 0.2944, 0.08061]\n", + " PeriodicSite: S (19.04, 6.03, 11.48) [0.9373, 0.2968, 0.5654]\n", + " PeriodicSite: S (18.88, 16.49, 0.7324) [0.9294, 0.8119, 0.03606]\n", + " PeriodicSite: S (19.0, 16.45, 11.24) [0.9356, 0.81, 0.5534]\n", + " PeriodicSite: S (1.066, 5.818, 8.988) [0.05248, 0.2864, 0.4425]\n", + " PeriodicSite: S (1.583, 6.39, 19.37) [0.07793, 0.3146, 0.9534]\n", + " PeriodicSite: S (1.147, 16.35, 8.9) [0.05647, 0.8052, 0.4382]\n", + " PeriodicSite: S (1.313, 16.31, 19.3) [0.06462, 0.8028, 0.9502]\n", + " PeriodicSite: S (10.99, 5.888, 8.508) [0.5408, 0.2899, 0.4189]\n", + " PeriodicSite: S (11.08, 6.059, 19.11) [0.5454, 0.2983, 0.941]\n", + " PeriodicSite: S (11.44, 16.67, 8.844) [0.563, 0.8206, 0.4354]\n", + " PeriodicSite: S (11.86, 17.15, 19.36) [0.5838, 0.8443, 0.9532]\n", + " PeriodicSite: S (6.03, 8.851, 1.128) [0.2969, 0.4357, 0.05553]\n", + " PeriodicSite: S (6.432, 9.083, 10.99) [0.3166, 0.4472, 0.5413]\n", + " PeriodicSite: S (6.278, 19.18, 1.404) [0.3091, 0.9444, 0.06913]\n", + " PeriodicSite: S (6.112, 18.98, 11.3) [0.3009, 0.9345, 0.5562]\n", + " PeriodicSite: S (16.43, 8.596, 0.9319) [0.8088, 0.4232, 0.04588]\n", + " PeriodicSite: S (16.62, 8.586, 11.43) [0.8184, 0.4227, 0.5627]\n", + " PeriodicSite: S (16.0, 19.47, 1.352) [0.7878, 0.9586, 0.06656]\n", + " PeriodicSite: S (16.27, 18.74, 11.5) [0.8011, 0.9225, 0.5661]\n", + " PeriodicSite: S (7.767, 7.735, 17.81) [0.3824, 0.3808, 0.8768]\n", + " PeriodicSite: S (7.544, 17.7, 7.898) [0.3714, 0.8715, 0.3888]\n", + " PeriodicSite: S (17.89, 7.674, 7.626) [0.8809, 0.3778, 0.3754]\n", + " PeriodicSite: S (17.48, 17.67, 7.52) [0.8606, 0.8698, 0.3702]\n", + " PeriodicSite: P (5.127, 20.31, 0.1775) [0.2524, 0.9998, 0.008739]\n", + " PeriodicSite: P (4.9, 20.08, 10.23) [0.2412, 0.9887, 0.5036]\n", + " PeriodicSite: P (4.985, 10.18, 0.02656) [0.2454, 0.5011, 0.00131]\n", + " PeriodicSite: P (5.137, 10.36, 10.04) [0.2529, 0.51, 0.4943]\n", + " PeriodicSite: P (15.12, 0.2967, 20.18) [0.7445, 0.0146, 0.9936]\n", + " PeriodicSite: P (15.43, 20.26, 10.39) [0.7595, 0.9976, 0.5113]\n", + " PeriodicSite: P (15.59, 10.07, 20.07) [0.7675, 0.4957, 0.9879]\n", + " PeriodicSite: P (15.53, 9.931, 10.38) [0.7648, 0.4889, 0.5112]\n", + " PeriodicSite: P (4.784, 4.997, 5.282) [0.2355, 0.246, 0.2601]\n", + " PeriodicSite: P (5.001, 4.801, 15.23) [0.2462, 0.2364, 0.7496]\n", + " PeriodicSite: P (5.157, 15.32, 5.299) [0.2539, 0.7543, 0.2609]\n", + " PeriodicSite: P (5.433, 15.5, 15.43) [0.2675, 0.763, 0.7598]\n", + " PeriodicSite: P (15.11, 4.774, 4.857) [0.7439, 0.235, 0.2391]\n", + " PeriodicSite: P (15.3, 5.418, 15.26) [0.7531, 0.2667, 0.7514]\n", + " PeriodicSite: P (15.21, 15.01, 5.136) [0.7489, 0.7389, 0.2529]\n", + " PeriodicSite: P (15.27, 15.31, 15.61) [0.7518, 0.7536, 0.7685]\n", + " PeriodicSite: P (19.86, 20.08, 4.931) [0.9775, 0.9884, 0.2428]\n", + " PeriodicSite: P (20.15, 20.17, 15.57) [0.9921, 0.993, 0.7666]\n", + " PeriodicSite: P (20.18, 10.14, 5.238) [0.9935, 0.4992, 0.2579]\n", + " PeriodicSite: P (0.2631, 10.21, 15.27) [0.01295, 0.5029, 0.7518]\n", + " PeriodicSite: P (9.832, 20.3, 5.294) [0.484, 0.9994, 0.2607]\n", + " PeriodicSite: P (9.985, 0.2485, 15.49) [0.4916, 0.01223, 0.7624]\n", + " PeriodicSite: P (10.18, 10.08, 5.152) [0.5011, 0.496, 0.2536]\n", + " PeriodicSite: P (9.894, 9.992, 15.05) [0.4871, 0.4919, 0.7411]\n", + " PeriodicSite: P (0.3827, 5.095, 20.29) [0.01884, 0.2508, 0.999]\n", + " PeriodicSite: P (19.96, 4.897, 10.05) [0.9829, 0.2411, 0.4946]\n", + " PeriodicSite: P (0.04586, 15.22, 0.2194) [0.002251, 0.7492, 0.0108]\n", + " PeriodicSite: P (20.2, 15.16, 10.13) [0.9942, 0.7465, 0.4986]\n", + " PeriodicSite: P (9.918, 4.999, 0.3106) [0.4883, 0.2461, 0.01529]\n", + " PeriodicSite: P (9.776, 5.012, 9.805) [0.4813, 0.2467, 0.4827]\n", + " PeriodicSite: P (10.63, 15.73, 0.05932) [0.5233, 0.7743, 0.002924]\n", + " PeriodicSite: P (10.26, 15.38, 10.05) [0.5052, 0.757, 0.4948],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.9266, 5.587, 3.256) [0.04562, 0.275, 0.1603]\n", + " PeriodicSite: Li (2.102, 2.681, 15.74) [0.1035, 0.132, 0.7749]\n", + " PeriodicSite: Li (0.2294, 12.41, 8.178) [0.01129, 0.6109, 0.4026]\n", + " PeriodicSite: Li (0.4163, 13.13, 17.3) [0.02049, 0.6465, 0.8517]\n", + " PeriodicSite: Li (15.05, 0.9624, 7.482) [0.7409, 0.04738, 0.3684]\n", + " PeriodicSite: Li (12.25, 3.069, 15.67) [0.603, 0.1511, 0.7712]\n", + " PeriodicSite: Li (17.16, 12.02, 5.007) [0.8447, 0.5917, 0.2465]\n", + " PeriodicSite: Li (16.74, 8.159, 15.4) [0.8241, 0.4017, 0.7583]\n", + " PeriodicSite: Li (5.896, 4.769, 8.345) [0.2903, 0.2348, 0.4109]\n", + " PeriodicSite: Li (2.334, 1.153, 19.83) [0.1149, 0.05676, 0.9765]\n", + " PeriodicSite: Li (4.206, 7.876, 5.49) [0.2071, 0.3877, 0.2703]\n", + " PeriodicSite: Li (7.214, 9.813, 16.94) [0.3551, 0.4831, 0.834]\n", + " PeriodicSite: Li (12.46, 4.403, 6.19) [0.6134, 0.2168, 0.3048]\n", + " PeriodicSite: Li (13.26, 3.474, 20.24) [0.6527, 0.171, 0.9962]\n", + " PeriodicSite: Li (12.13, 9.596, 11.1) [0.597, 0.4724, 0.5466]\n", + " PeriodicSite: Li (10.13, 18.59, 18.94) [0.4985, 0.9151, 0.9326]\n", + " PeriodicSite: Li (4.74, 1.296, 6.832) [0.2334, 0.06382, 0.3364]\n", + " PeriodicSite: Li (2.918, 0.1756, 16.48) [0.1436, 0.008646, 0.8111]\n", + " PeriodicSite: Li (4.012, 10.58, 7.109) [0.1975, 0.5209, 0.35]\n", + " PeriodicSite: Li (6.856, 9.967, 13.61) [0.3375, 0.4907, 0.67]\n", + " PeriodicSite: Li (12.03, 1.351, 9.752) [0.5921, 0.06653, 0.4801]\n", + " PeriodicSite: Li (10.67, 1.839, 18.34) [0.5253, 0.09052, 0.9029]\n", + " PeriodicSite: Li (13.63, 15.32, 8.527) [0.671, 0.7543, 0.4198]\n", + " PeriodicSite: Li (12.86, 10.52, 19.39) [0.6331, 0.5179, 0.9548]\n", + " PeriodicSite: Li (1.632, 4.572, 6.693) [0.08032, 0.2251, 0.3295]\n", + " PeriodicSite: Li (0.05283, 1.941, 18.5) [0.002605, 0.09556, 0.9107]\n", + " PeriodicSite: Li (2.009, 15.03, 6.903) [0.0989, 0.7401, 0.3398]\n", + " PeriodicSite: Li (4.515, 14.03, 18.0) [0.2223, 0.6907, 0.8861]\n", + " PeriodicSite: Li (12.73, 0.7839, 5.694) [0.6268, 0.03859, 0.2803]\n", + " PeriodicSite: Li (13.5, 0.3741, 17.08) [0.6648, 0.01841, 0.8409]\n", + " PeriodicSite: Li (10.76, 12.08, 8.351) [0.5298, 0.5945, 0.4111]\n", + " PeriodicSite: Li (16.9, 17.58, 20.05) [0.8319, 0.8657, 0.987]\n", + " PeriodicSite: Li (7.332, 0.8007, 4.339) [0.361, 0.03942, 0.2136]\n", + " PeriodicSite: Li (1.934, 18.48, 0.4412) [0.09523, 0.9099, 0.02172]\n", + " PeriodicSite: Li (2.874, 14.36, 9.798) [0.1415, 0.7069, 0.4824]\n", + " PeriodicSite: Li (1.862, 16.82, 15.38) [0.09168, 0.8281, 0.7573]\n", + " PeriodicSite: Li (14.87, 4.068, 7.717) [0.7322, 0.2003, 0.3799]\n", + " PeriodicSite: Li (14.92, 3.9, 18.35) [0.7344, 0.192, 0.9032]\n", + " PeriodicSite: Li (16.83, 15.28, 8.408) [0.8288, 0.7524, 0.4139]\n", + " PeriodicSite: Li (10.82, 12.34, 17.76) [0.5325, 0.6076, 0.8745]\n", + " PeriodicSite: Li (4.597, 2.179, 4.061) [0.2263, 0.1073, 0.1999]\n", + " PeriodicSite: Li (4.961, 1.842, 16.85) [0.2443, 0.09067, 0.8293]\n", + " PeriodicSite: Li (3.076, 12.59, 5.154) [0.1514, 0.6199, 0.2537]\n", + " PeriodicSite: Li (19.77, 12.96, 3.895) [0.9732, 0.6382, 0.1918]\n", + " PeriodicSite: Li (10.43, 2.412, 7.96) [0.5134, 0.1187, 0.3919]\n", + " PeriodicSite: Li (17.1, 0.1329, 17.32) [0.842, 0.006539, 0.8525]\n", + " PeriodicSite: Li (15.1, 12.38, 3.048) [0.7436, 0.6092, 0.1501]\n", + " PeriodicSite: Li (13.9, 8.854, 16.37) [0.6843, 0.4359, 0.8057]\n", + " PeriodicSite: Li (3.294, 11.83, 15.37) [0.1622, 0.5825, 0.7569]\n", + " PeriodicSite: Li (2.146, 10.86, 9.657) [0.1056, 0.5345, 0.4754]\n", + " PeriodicSite: Li (0.3238, 16.91, 2.857) [0.01594, 0.8327, 0.1406]\n", + " PeriodicSite: Li (1.802, 1.295, 9.503) [0.08869, 0.06374, 0.4678]\n", + " PeriodicSite: Li (11.97, 5.382, 3.499) [0.5895, 0.265, 0.1723]\n", + " PeriodicSite: Li (11.32, 6.771, 14.8) [0.5573, 0.3333, 0.7284]\n", + " PeriodicSite: Li (11.36, 14.73, 7.086) [0.5594, 0.7253, 0.3488]\n", + " PeriodicSite: Li (13.96, 20.28, 13.56) [0.6872, 0.9986, 0.6675]\n", + " PeriodicSite: Li (3.145, 6.7, 0.4211) [0.1548, 0.3298, 0.02073]\n", + " PeriodicSite: Li (2.812, 5.018, 10.26) [0.1385, 0.247, 0.5053]\n", + " PeriodicSite: Li (6.969, 17.13, 20.21) [0.3431, 0.8433, 0.9951]\n", + " PeriodicSite: Li (5.344, 18.21, 16.54) [0.2631, 0.8967, 0.8144]\n", + " PeriodicSite: Li (14.74, 6.967, 1.724) [0.7255, 0.343, 0.08489]\n", + " PeriodicSite: Li (9.817, 8.046, 12.05) [0.4833, 0.3961, 0.5932]\n", + " PeriodicSite: Li (12.8, 18.17, 5.227) [0.6302, 0.8945, 0.2573]\n", + " PeriodicSite: Li (10.48, 17.12, 13.41) [0.516, 0.8427, 0.6601]\n", + " PeriodicSite: Li (4.779, 10.86, 17.47) [0.2353, 0.5348, 0.8602]\n", + " PeriodicSite: Li (4.21, 6.329, 12.37) [0.2073, 0.3116, 0.6088]\n", + " PeriodicSite: Li (4.784, 18.4, 3.299) [0.2355, 0.9058, 0.1624]\n", + " PeriodicSite: Li (2.268, 18.14, 10.32) [0.1117, 0.8932, 0.5081]\n", + " PeriodicSite: Li (10.23, 8.13, 1.155) [0.5037, 0.4003, 0.05687]\n", + " PeriodicSite: Li (12.93, 5.352, 12.35) [0.6363, 0.2635, 0.608]\n", + " PeriodicSite: Li (11.44, 16.04, 2.991) [0.5634, 0.7899, 0.1472]\n", + " PeriodicSite: Li (13.24, 15.54, 12.61) [0.6519, 0.7652, 0.6206]\n", + " PeriodicSite: Li (0.2252, 9.02, 1.85) [0.01108, 0.4441, 0.09106]\n", + " PeriodicSite: Li (17.49, 6.469, 9.608) [0.861, 0.3185, 0.473]\n", + " PeriodicSite: Li (2.219, 17.43, 4.851) [0.1092, 0.8579, 0.2388]\n", + " PeriodicSite: Li (0.8442, 19.42, 12.84) [0.04155, 0.9558, 0.6323]\n", + " PeriodicSite: Li (8.969, 7.119, 3.937) [0.4416, 0.3505, 0.1938]\n", + " PeriodicSite: Li (14.26, 9.434, 13.04) [0.7021, 0.4645, 0.6418]\n", + " PeriodicSite: Li (13.27, 16.44, 0.895) [0.6531, 0.8093, 0.04406]\n", + " PeriodicSite: Li (11.34, 15.92, 16.91) [0.5584, 0.7836, 0.8323]\n", + " PeriodicSite: Li (6.601, 9.627, 3.556) [0.325, 0.4739, 0.1751]\n", + " PeriodicSite: Li (20.16, 12.96, 13.32) [0.9923, 0.6383, 0.6558]\n", + " PeriodicSite: Li (18.26, 16.52, 5.797) [0.8989, 0.8135, 0.2854]\n", + " PeriodicSite: Li (4.147, 18.88, 13.76) [0.2042, 0.9293, 0.6772]\n", + " PeriodicSite: Li (17.56, 10.08, 2.666) [0.8646, 0.4962, 0.1313]\n", + " PeriodicSite: Li (13.23, 6.935, 10.11) [0.6511, 0.3414, 0.4979]\n", + " PeriodicSite: Li (12.29, 19.29, 0.1685) [0.6053, 0.9498, 0.008302]\n", + " PeriodicSite: Li (14.39, 17.76, 10.93) [0.7086, 0.8745, 0.5381]\n", + " PeriodicSite: Li (3.415, 3.704, 0.2666) [0.1681, 0.1823, 0.01313]\n", + " PeriodicSite: Li (2.89, 9.379, 14.56) [0.1423, 0.4617, 0.717]\n", + " PeriodicSite: Li (2.946, 19.86, 3.291) [0.145, 0.9777, 0.162]\n", + " PeriodicSite: Li (0.713, 16.11, 12.88) [0.0351, 0.793, 0.6343]\n", + " PeriodicSite: Li (12.95, 9.233, 4.609) [0.6375, 0.4545, 0.2269]\n", + " PeriodicSite: Li (15.11, 6.891, 11.74) [0.7438, 0.3392, 0.5781]\n", + " PeriodicSite: Li (14.68, 17.74, 2.903) [0.7228, 0.8734, 0.1429]\n", + " PeriodicSite: Li (19.75, 3.475, 13.18) [0.9724, 0.1711, 0.6491]\n", + " PeriodicSite: Li (9.537, 3.438, 3.44) [0.4695, 0.1693, 0.1693]\n", + " PeriodicSite: Li (9.533, 1.241, 12.84) [0.4693, 0.06109, 0.6323]\n", + " PeriodicSite: Li (6.077, 12.22, 4.237) [0.2992, 0.6014, 0.2086]\n", + " PeriodicSite: Li (6.609, 12.56, 14.71) [0.3254, 0.6182, 0.7241]\n", + " PeriodicSite: Li (18.59, 2.827, 4.445) [0.9154, 0.1392, 0.2188]\n", + " PeriodicSite: Li (12.75, 4.11, 9.44) [0.6279, 0.2024, 0.4647]\n", + " PeriodicSite: Li (19.14, 12.13, 0.7059) [0.9422, 0.597, 0.03476]\n", + " PeriodicSite: Li (17.54, 10.7, 13.92) [0.8636, 0.5266, 0.6852]\n", + " PeriodicSite: Li (6.011, 18.66, 6.127) [0.2959, 0.9188, 0.3017]\n", + " PeriodicSite: Li (8.556, 3.364, 14.81) [0.4212, 0.1656, 0.729]\n", + " PeriodicSite: Li (7.878, 14.13, 0.2805) [0.3878, 0.6957, 0.01381]\n", + " PeriodicSite: Li (9.99, 13.38, 12.86) [0.4918, 0.6589, 0.633]\n", + " PeriodicSite: Li (13.23, 0.2896, 3.235) [0.6515, 0.01425, 0.1593]\n", + " PeriodicSite: Li (18.58, 1.571, 10.56) [0.915, 0.07736, 0.5197]\n", + " PeriodicSite: Li (17.26, 14.95, 2.175) [0.8497, 0.7362, 0.1071]\n", + " PeriodicSite: Li (16.69, 15.36, 12.08) [0.8215, 0.7562, 0.5949]\n", + " PeriodicSite: Li (8.25, 5.005, 6.241) [0.4061, 0.2464, 0.3072]\n", + " PeriodicSite: Li (7.054, 0.1481, 14.22) [0.3473, 0.007291, 0.6999]\n", + " PeriodicSite: Li (9.825, 11.8, 2.535) [0.4837, 0.5808, 0.1248]\n", + " PeriodicSite: Li (5.63, 13.3, 11.76) [0.2772, 0.655, 0.579]\n", + " PeriodicSite: Li (19.96, 2.266, 1.147) [0.9826, 0.1116, 0.05647]\n", + " PeriodicSite: Li (0.07511, 8.099, 12.17) [0.003697, 0.3987, 0.5991]\n", + " PeriodicSite: Li (16.11, 12.94, 20.07) [0.7931, 0.6372, 0.9882]\n", + " PeriodicSite: Li (15.83, 12.2, 13.37) [0.7792, 0.6007, 0.6581]\n", + " PeriodicSite: Li (2.135, 0.5442, 5.888) [0.1051, 0.02679, 0.2899]\n", + " PeriodicSite: Li (5.101, 1.59, 13.45) [0.2512, 0.07828, 0.662]\n", + " PeriodicSite: Li (5.184, 13.17, 1.225) [0.2552, 0.6484, 0.06032]\n", + " PeriodicSite: Li (7.939, 6.735, 15.65) [0.3908, 0.3316, 0.7704]\n", + " PeriodicSite: Li (17.94, 4.797, 1.69) [0.8833, 0.2362, 0.08323]\n", + " PeriodicSite: Li (17.21, 0.02692, 13.69) [0.8473, 0.001319, 0.6738]\n", + " PeriodicSite: Li (14.49, 14.86, 18.54) [0.7133, 0.7317, 0.9129]\n", + " PeriodicSite: Li (18.31, 12.2, 10.52) [0.9012, 0.6004, 0.5177]\n", + " PeriodicSite: Li (6.904, 3.925, 0.4284) [0.3399, 0.1932, 0.02109]\n", + " PeriodicSite: Li (5.177, 2.662, 11.17) [0.2549, 0.131, 0.5497]\n", + " PeriodicSite: Li (7.827, 11.0, 0.5541) [0.3853, 0.5415, 0.02728]\n", + " PeriodicSite: Li (7.827, 10.71, 10.55) [0.3854, 0.5272, 0.5195]\n", + " PeriodicSite: Li (15.82, 1.812, 4.05) [0.779, 0.08921, 0.1994]\n", + " PeriodicSite: Li (15.54, 3.169, 11.24) [0.7651, 0.156, 0.5532]\n", + " PeriodicSite: Li (2.014, 10.2, 18.75) [0.09918, 0.5021, 0.9231]\n", + " PeriodicSite: Li (18.37, 14.56, 14.82) [0.9043, 0.7167, 0.7295]\n", + " PeriodicSite: Li (7.997, 1.241, 0.6464) [0.3937, 0.06112, 0.03182]\n", + " PeriodicSite: Li (7.814, 2.167, 10.42) [0.3847, 0.1067, 0.5129]\n", + " PeriodicSite: Li (7.984, 14.19, 4.811) [0.3931, 0.6986, 0.2369]\n", + " PeriodicSite: Li (4.296, 15.9, 12.22) [0.2115, 0.7829, 0.6016]\n", + " PeriodicSite: Li (15.76, 2.896, 1.045) [0.776, 0.1426, 0.05144]\n", + " PeriodicSite: Li (1.673, 6.602, 15.03) [0.08236, 0.325, 0.7399]\n", + " PeriodicSite: Li (5.142, 13.29, 8.381) [0.2531, 0.6544, 0.4126]\n", + " PeriodicSite: Li (14.43, 13.31, 10.44) [0.7106, 0.655, 0.5139]\n", + " PeriodicSite: Li (13.64, 12.1, 5.74) [0.6715, 0.5955, 0.2826]\n", + " PeriodicSite: Li (5.2, 8.015, 17.2) [0.256, 0.3946, 0.8467]\n", + " PeriodicSite: Li (6.937, 17.06, 10.94) [0.3415, 0.84, 0.5383]\n", + " PeriodicSite: Li (4.317, 16.9, 19.2) [0.2126, 0.8319, 0.9453]\n", + " PeriodicSite: Li (16.66, 9.933, 6.837) [0.8202, 0.489, 0.3366]\n", + " PeriodicSite: Li (1.574, 4.332, 17.68) [0.0775, 0.2133, 0.8702]\n", + " PeriodicSite: Li (17.17, 19.23, 5.116) [0.8453, 0.9467, 0.2519]\n", + " PeriodicSite: Li (19.76, 18.08, 19.16) [0.9729, 0.8902, 0.9431]\n", + " PeriodicSite: Li (7.045, 9.763, 6.907) [0.3468, 0.4806, 0.34]\n", + " PeriodicSite: Li (8.79, 5.28, 17.78) [0.4327, 0.2599, 0.8751]\n", + " PeriodicSite: Li (7.875, 20.19, 8.482) [0.3877, 0.994, 0.4176]\n", + " PeriodicSite: Li (7.923, 16.76, 15.93) [0.3901, 0.8249, 0.7844]\n", + " PeriodicSite: Li (18.19, 9.7, 8.931) [0.8955, 0.4775, 0.4397]\n", + " PeriodicSite: Li (16.74, 7.272, 19.41) [0.8241, 0.358, 0.9557]\n", + " PeriodicSite: Li (18.29, 20.15, 8.1) [0.9005, 0.9921, 0.3988]\n", + " PeriodicSite: Li (18.7, 17.23, 15.59) [0.9208, 0.8482, 0.7676]\n", + " PeriodicSite: Li (6.65, 7.11, 9.661) [0.3274, 0.35, 0.4756]\n", + " PeriodicSite: Li (4.555, 4.806, 18.27) [0.2242, 0.2366, 0.8996]\n", + " PeriodicSite: Li (9.753, 18.28, 9.191) [0.4802, 0.8999, 0.4525]\n", + " PeriodicSite: Li (13.06, 11.16, 15.82) [0.6429, 0.5494, 0.779]\n", + " PeriodicSite: Li (19.91, 8.15, 7.876) [0.9801, 0.4012, 0.3878]\n", + " PeriodicSite: Li (18.26, 5.422, 16.81) [0.8992, 0.2669, 0.8277]\n", + " PeriodicSite: Li (16.89, 17.42, 9.861) [0.8317, 0.8575, 0.4855]\n", + " PeriodicSite: Li (17.21, 15.24, 18.69) [0.8474, 0.7501, 0.92]\n", + " PeriodicSite: Li (9.906, 8.376, 8.019) [0.4877, 0.4124, 0.3948]\n", + " PeriodicSite: Li (4.752, 5.681, 2.767) [0.2339, 0.2797, 0.1362]\n", + " PeriodicSite: Li (4.965, 17.3, 8.971) [0.2444, 0.8515, 0.4416]\n", + " PeriodicSite: Li (6.51, 15.27, 2.405) [0.3205, 0.7518, 0.1184]\n", + " PeriodicSite: Li (15.31, 7.027, 8.185) [0.7535, 0.3459, 0.4029]\n", + " PeriodicSite: Li (19.08, 9.472, 18.15) [0.9392, 0.4663, 0.8937]\n", + " PeriodicSite: Li (15.4, 18.14, 6.667) [0.7579, 0.8928, 0.3282]\n", + " PeriodicSite: Li (15.08, 18.21, 16.0) [0.7422, 0.8965, 0.7877]\n", + " PeriodicSite: Li (6.838, 4.591, 12.05) [0.3366, 0.226, 0.5932]\n", + " PeriodicSite: Li (6.374, 6.976, 19.69) [0.3138, 0.3434, 0.9695]\n", + " PeriodicSite: Li (8.965, 17.14, 6.431) [0.4413, 0.8437, 0.3166]\n", + " PeriodicSite: Li (10.38, 19.33, 2.42) [0.5108, 0.9519, 0.1192]\n", + " PeriodicSite: Li (16.44, 7.658, 5.14) [0.8094, 0.377, 0.2531]\n", + " PeriodicSite: Li (13.34, 6.391, 19.35) [0.6569, 0.3147, 0.9527]\n", + " PeriodicSite: Li (19.62, 17.96, 8.276) [0.9657, 0.8842, 0.4074]\n", + " PeriodicSite: Li (17.91, 0.1997, 1.905) [0.8817, 0.009826, 0.09377]\n", + " PeriodicSite: Li (3.301, 9.869, 3.649) [0.1625, 0.4859, 0.1796]\n", + " PeriodicSite: Li (9.555, 8.513, 18.28) [0.4704, 0.4191, 0.8998]\n", + " PeriodicSite: Li (7.09, 15.52, 8.517) [0.349, 0.7642, 0.4193]\n", + " PeriodicSite: Li (7.271, 0.1685, 17.35) [0.3579, 0.008294, 0.8541]\n", + " PeriodicSite: Li (18.16, 5.568, 6.848) [0.8938, 0.2741, 0.3372]\n", + " PeriodicSite: Li (16.54, 11.76, 16.5) [0.8143, 0.5791, 0.8122]\n", + " PeriodicSite: Li (3.228, 15.63, 1.259) [0.1589, 0.7693, 0.06197]\n", + " PeriodicSite: Li (15.95, 2.248, 15.01) [0.7854, 0.1107, 0.7388]\n", + " PeriodicSite: Cl (7.662, 12.35, 12.78) [0.3772, 0.6079, 0.6291]\n", + " PeriodicSite: Cl (2.757, 12.47, 17.38) [0.1357, 0.6139, 0.8556]\n", + " PeriodicSite: Cl (13.01, 17.86, 12.96) [0.6405, 0.8791, 0.6382]\n", + " PeriodicSite: Cl (17.82, 7.715, 17.37) [0.8771, 0.3798, 0.8553]\n", + " PeriodicSite: Cl (7.435, 2.471, 2.597) [0.366, 0.1216, 0.1278]\n", + " PeriodicSite: Cl (7.737, 7.761, 7.425) [0.3809, 0.3821, 0.3655]\n", + " PeriodicSite: Cl (12.81, 13.16, 7.976) [0.6308, 0.6479, 0.3927]\n", + " PeriodicSite: Cl (2.609, 7.417, 2.646) [0.1284, 0.3651, 0.1303]\n", + " PeriodicSite: Cl (2.316, 7.429, 12.82) [0.114, 0.3657, 0.6311]\n", + " PeriodicSite: Cl (12.8, 12.3, 17.64) [0.6303, 0.6055, 0.8683]\n", + " PeriodicSite: Cl (18.0, 17.67, 17.79) [0.8864, 0.87, 0.8761]\n", + " PeriodicSite: Cl (2.42, 2.528, 7.111) [0.1192, 0.1245, 0.3501]\n", + " PeriodicSite: Cl (12.63, 2.904, 17.92) [0.622, 0.143, 0.8823]\n", + " PeriodicSite: Cl (12.51, 7.578, 2.705) [0.6159, 0.373, 0.1332]\n", + " PeriodicSite: Cl (17.98, 2.018, 12.87) [0.8851, 0.09933, 0.6338]\n", + " PeriodicSite: Cl (7.423, 18.07, 17.83) [0.3654, 0.8898, 0.8779]\n", + " PeriodicSite: Cl (0.2233, 0.009957, 20.13) [0.011, 0.0004917, 0.991]\n", + " PeriodicSite: Cl (0.1182, 19.99, 10.0) [0.005812, 0.9841, 0.4925]\n", + " PeriodicSite: Cl (0.1761, 10.35, 20.05) [0.008673, 0.5094, 0.987]\n", + " PeriodicSite: Cl (20.02, 10.46, 10.08) [0.9854, 0.515, 0.4963]\n", + " PeriodicSite: Cl (10.02, 0.2223, 0.04026) [0.4934, 0.01094, 0.001985]\n", + " PeriodicSite: Cl (9.815, 0.3732, 9.976) [0.4832, 0.01837, 0.4911]\n", + " PeriodicSite: Cl (10.19, 10.14, 20.17) [0.5018, 0.4993, 0.9928]\n", + " PeriodicSite: Cl (10.02, 10.19, 10.42) [0.4934, 0.5015, 0.5131]\n", + " PeriodicSite: Cl (20.08, 4.573, 5.16) [0.9885, 0.2251, 0.254]\n", + " PeriodicSite: Cl (0.6217, 4.914, 15.72) [0.03061, 0.2419, 0.7739]\n", + " PeriodicSite: Cl (20.23, 15.8, 4.991) [0.996, 0.7779, 0.2457]\n", + " PeriodicSite: Cl (0.08005, 15.13, 15.25) [0.003938, 0.7449, 0.7506]\n", + " PeriodicSite: Cl (10.02, 4.804, 4.978) [0.4935, 0.2365, 0.2451]\n", + " PeriodicSite: Cl (9.746, 5.021, 15.58) [0.4798, 0.2472, 0.7671]\n", + " PeriodicSite: Cl (10.23, 15.17, 4.92) [0.5037, 0.7467, 0.2422]\n", + " PeriodicSite: Cl (10.03, 15.75, 15.15) [0.494, 0.7753, 0.7457]\n", + " PeriodicSite: S (4.742, 20.31, 4.874) [0.2334, 0.9999, 0.2399]\n", + " PeriodicSite: S (5.195, 20.21, 15.48) [0.2558, 0.9949, 0.7623]\n", + " PeriodicSite: S (5.099, 10.39, 5.222) [0.251, 0.5114, 0.2571]\n", + " PeriodicSite: S (5.141, 10.12, 15.46) [0.2531, 0.4983, 0.7609]\n", + " PeriodicSite: S (14.81, 20.0, 5.062) [0.7293, 0.9847, 0.2492]\n", + " PeriodicSite: S (15.34, 0.1679, 15.32) [0.7551, 0.008261, 0.7542]\n", + " PeriodicSite: S (15.4, 10.32, 4.893) [0.7581, 0.5081, 0.2409]\n", + " PeriodicSite: S (15.47, 10.25, 14.94) [0.7615, 0.5046, 0.7354]\n", + " PeriodicSite: S (4.896, 5.235, 0.1681) [0.241, 0.2577, 0.008277]\n", + " PeriodicSite: S (5.123, 5.006, 10.53) [0.2522, 0.2465, 0.5184]\n", + " PeriodicSite: S (5.439, 15.24, 0.08045) [0.2677, 0.7503, 0.003963]\n", + " PeriodicSite: S (5.245, 15.12, 9.908) [0.2582, 0.7443, 0.4878]\n", + " PeriodicSite: S (14.97, 5.169, 0.03635) [0.7369, 0.2545, 0.001794]\n", + " PeriodicSite: S (14.84, 5.192, 10.09) [0.7307, 0.2556, 0.4968]\n", + " PeriodicSite: S (15.65, 15.39, 0.3519) [0.7706, 0.7577, 0.01733]\n", + " PeriodicSite: S (15.28, 15.46, 10.27) [0.7525, 0.761, 0.5056]\n", + " PeriodicSite: S (8.543, 3.873, 8.646) [0.4206, 0.1907, 0.4257]\n", + " PeriodicSite: S (9.108, 3.643, 19.41) [0.4484, 0.1794, 0.9554]\n", + " PeriodicSite: S (9.223, 14.27, 8.576) [0.4541, 0.7024, 0.4222]\n", + " PeriodicSite: S (9.714, 14.17, 18.85) [0.4782, 0.6974, 0.9278]\n", + " PeriodicSite: S (18.6, 4.041, 8.732) [0.9156, 0.199, 0.4299]\n", + " PeriodicSite: S (19.29, 3.885, 19.59) [0.9498, 0.1913, 0.9644]\n", + " PeriodicSite: S (18.8, 14.03, 9.251) [0.9258, 0.6906, 0.4555]\n", + " PeriodicSite: S (19.03, 14.02, 19.24) [0.9371, 0.6902, 0.9474]\n", + " PeriodicSite: S (3.977, 1.278, 1.506) [0.1958, 0.06292, 0.07415]\n", + " PeriodicSite: S (3.414, 0.8503, 11.54) [0.1681, 0.04186, 0.5682]\n", + " PeriodicSite: S (3.579, 10.84, 1.018) [0.1762, 0.5335, 0.05012]\n", + " PeriodicSite: S (3.826, 11.42, 11.31) [0.1884, 0.5622, 0.5567]\n", + " PeriodicSite: S (13.55, 1.234, 0.9092) [0.667, 0.06074, 0.04476]\n", + " PeriodicSite: S (13.8, 1.184, 11.25) [0.6793, 0.05827, 0.5536]\n", + " PeriodicSite: S (14.58, 11.43, 0.8893) [0.7177, 0.5629, 0.04378]\n", + " PeriodicSite: S (13.9, 11.11, 11.19) [0.6841, 0.5468, 0.5507]\n", + " PeriodicSite: S (6.022, 1.284, 9.381) [0.2965, 0.06323, 0.4618]\n", + " PeriodicSite: S (6.278, 1.327, 19.35) [0.3091, 0.06534, 0.9526]\n", + " PeriodicSite: S (6.42, 11.25, 8.882) [0.3161, 0.554, 0.4373]\n", + " PeriodicSite: S (6.342, 11.26, 19.23) [0.3122, 0.5545, 0.9469]\n", + " PeriodicSite: S (16.58, 1.312, 9.397) [0.8163, 0.06458, 0.4626]\n", + " PeriodicSite: S (16.08, 1.751, 19.34) [0.7917, 0.08622, 0.9519]\n", + " PeriodicSite: S (16.41, 11.34, 8.977) [0.8081, 0.5584, 0.4419]\n", + " PeriodicSite: S (17.01, 10.79, 18.92) [0.8372, 0.5312, 0.9312]\n", + " PeriodicSite: S (1.535, 4.043, 1.462) [0.07557, 0.1991, 0.07197]\n", + " PeriodicSite: S (0.714, 3.091, 10.58) [0.03515, 0.1522, 0.5208]\n", + " PeriodicSite: S (1.084, 14.1, 1.235) [0.05334, 0.6944, 0.06082]\n", + " PeriodicSite: S (0.9851, 14.16, 11.63) [0.0485, 0.6973, 0.5724]\n", + " PeriodicSite: S (11.27, 3.967, 1.624) [0.555, 0.1953, 0.07995]\n", + " PeriodicSite: S (11.05, 3.657, 11.03) [0.5439, 0.18, 0.543]\n", + " PeriodicSite: S (11.9, 14.53, 1.173) [0.5858, 0.7153, 0.05775]\n", + " PeriodicSite: S (11.49, 14.13, 11.32) [0.5658, 0.6956, 0.5575]\n", + " PeriodicSite: S (2.842, 2.608, 18.0) [0.1399, 0.1284, 0.8862]\n", + " PeriodicSite: S (2.757, 12.84, 7.743) [0.1357, 0.6321, 0.3812]\n", + " PeriodicSite: S (12.93, 2.558, 7.769) [0.6368, 0.1259, 0.3825]\n", + " PeriodicSite: S (8.939, 9.542, 3.35) [0.4401, 0.4698, 0.1649]\n", + " PeriodicSite: S (9.168, 8.599, 14.24) [0.4514, 0.4234, 0.701]\n", + " PeriodicSite: S (8.872, 18.78, 4.282) [0.4368, 0.9244, 0.2108]\n", + " PeriodicSite: S (8.932, 19.33, 14.59) [0.4397, 0.9514, 0.7183]\n", + " PeriodicSite: S (19.54, 8.826, 4.033) [0.9622, 0.4345, 0.1986]\n", + " PeriodicSite: S (19.26, 9.08, 13.99) [0.9483, 0.447, 0.6886]\n", + " PeriodicSite: S (19.02, 18.75, 3.53) [0.9363, 0.9232, 0.1738]\n", + " PeriodicSite: S (19.13, 19.01, 14.14) [0.9418, 0.9361, 0.6962]\n", + " PeriodicSite: S (3.73, 5.865, 6.76) [0.1836, 0.2887, 0.3328]\n", + " PeriodicSite: S (3.773, 6.243, 16.34) [0.1857, 0.3073, 0.8046]\n", + " PeriodicSite: S (3.887, 16.85, 6.272) [0.1913, 0.8297, 0.3088]\n", + " PeriodicSite: S (3.695, 16.16, 16.66) [0.1819, 0.7957, 0.8203]\n", + " PeriodicSite: S (14.17, 6.11, 5.973) [0.6974, 0.3008, 0.2941]\n", + " PeriodicSite: S (13.91, 6.125, 16.35) [0.6846, 0.3016, 0.8048]\n", + " PeriodicSite: S (13.83, 16.28, 6.405) [0.6809, 0.8017, 0.3153]\n", + " PeriodicSite: S (13.97, 16.37, 16.48) [0.6879, 0.8058, 0.8116]\n", + " PeriodicSite: S (6.16, 6.366, 4.616) [0.3033, 0.3134, 0.2273]\n", + " PeriodicSite: S (6.252, 6.206, 13.82) [0.3078, 0.3055, 0.6805]\n", + " PeriodicSite: S (6.444, 16.78, 4.209) [0.3172, 0.8262, 0.2072]\n", + " PeriodicSite: S (5.965, 17.07, 14.26) [0.2937, 0.8403, 0.702]\n", + " PeriodicSite: S (16.1, 5.842, 3.336) [0.7925, 0.2876, 0.1642]\n", + " PeriodicSite: S (16.13, 6.431, 13.86) [0.7943, 0.3166, 0.6823]\n", + " PeriodicSite: S (16.29, 16.39, 4.148) [0.8021, 0.807, 0.2042]\n", + " PeriodicSite: S (16.53, 16.44, 14.32) [0.8138, 0.8092, 0.705]\n", + " PeriodicSite: S (1.428, 8.939, 6.309) [0.07028, 0.4401, 0.3106]\n", + " PeriodicSite: S (1.384, 8.811, 16.26) [0.06814, 0.4338, 0.8005]\n", + " PeriodicSite: S (0.6578, 18.82, 6.191) [0.03238, 0.9267, 0.3048]\n", + " PeriodicSite: S (0.7983, 18.7, 16.77) [0.0393, 0.9205, 0.8255]\n", + " PeriodicSite: S (10.94, 8.471, 5.808) [0.5383, 0.417, 0.286]\n", + " PeriodicSite: S (11.47, 9.033, 16.68) [0.5647, 0.4447, 0.8213]\n", + " PeriodicSite: S (11.3, 19.5, 6.819) [0.5564, 0.9599, 0.3357]\n", + " PeriodicSite: S (11.63, 19.38, 16.62) [0.5724, 0.954, 0.8181]\n", + " PeriodicSite: S (2.466, 17.65, 2.622) [0.1214, 0.8691, 0.1291]\n", + " PeriodicSite: S (2.498, 17.56, 13.04) [0.123, 0.8645, 0.642]\n", + " PeriodicSite: S (12.69, 7.727, 12.32) [0.6247, 0.3804, 0.6067]\n", + " PeriodicSite: S (12.52, 18.03, 2.585) [0.6162, 0.8876, 0.1273]\n", + " PeriodicSite: S (3.516, 4.121, 3.794) [0.1731, 0.2029, 0.1868]\n", + " PeriodicSite: S (3.734, 3.968, 13.83) [0.1838, 0.1953, 0.6809]\n", + " PeriodicSite: S (4.092, 14.41, 3.803) [0.2014, 0.7094, 0.1872]\n", + " PeriodicSite: S (4.502, 13.96, 13.84) [0.2216, 0.6873, 0.6813]\n", + " PeriodicSite: S (13.84, 3.344, 4.05) [0.6814, 0.1646, 0.1994]\n", + " PeriodicSite: S (14.19, 3.803, 13.91) [0.6987, 0.1872, 0.6849]\n", + " PeriodicSite: S (13.76, 13.91, 4.135) [0.6773, 0.6847, 0.2036]\n", + " PeriodicSite: S (14.25, 13.93, 14.2) [0.7018, 0.686, 0.6991]\n", + " PeriodicSite: S (8.655, 0.9844, 6.492) [0.4261, 0.04846, 0.3196]\n", + " PeriodicSite: S (9.242, 1.577, 16.53) [0.455, 0.07765, 0.8139]\n", + " PeriodicSite: S (9.11, 11.17, 6.482) [0.4485, 0.55, 0.3191]\n", + " PeriodicSite: S (9.171, 11.23, 16.29) [0.4515, 0.553, 0.802]\n", + " PeriodicSite: S (18.57, 0.8363, 5.752) [0.914, 0.04116, 0.2832]\n", + " PeriodicSite: S (19.14, 1.083, 16.66) [0.9422, 0.05332, 0.8201]\n", + " PeriodicSite: S (19.0, 11.26, 6.25) [0.9354, 0.5542, 0.3077]\n", + " PeriodicSite: S (19.3, 11.34, 16.4) [0.95, 0.5581, 0.8075]\n", + " PeriodicSite: S (1.037, 0.9077, 3.819) [0.05108, 0.04469, 0.188]\n", + " PeriodicSite: S (1.361, 0.7408, 14.43) [0.06701, 0.03647, 0.7102]\n", + " PeriodicSite: S (1.245, 11.42, 4.172) [0.0613, 0.5624, 0.2054]\n", + " PeriodicSite: S (1.217, 11.44, 13.98) [0.05993, 0.5631, 0.6882]\n", + " PeriodicSite: S (10.94, 1.086, 3.853) [0.5388, 0.05345, 0.1897]\n", + " PeriodicSite: S (11.28, 1.382, 14.17) [0.5552, 0.06805, 0.6976]\n", + " PeriodicSite: S (11.42, 11.4, 4.099) [0.5622, 0.5612, 0.2018]\n", + " PeriodicSite: S (11.48, 11.04, 13.65) [0.5651, 0.5437, 0.6722]\n", + " PeriodicSite: S (6.074, 3.605, 6.18) [0.299, 0.1775, 0.3042]\n", + " PeriodicSite: S (6.138, 3.943, 16.13) [0.3022, 0.1941, 0.7939]\n", + " PeriodicSite: S (6.166, 14.12, 6.385) [0.3036, 0.6949, 0.3143]\n", + " PeriodicSite: S (6.697, 14.64, 16.24) [0.3297, 0.7206, 0.7997]\n", + " PeriodicSite: S (16.61, 3.921, 6.156) [0.8177, 0.193, 0.3031]\n", + " PeriodicSite: S (16.36, 4.066, 16.46) [0.8053, 0.2002, 0.8101]\n", + " PeriodicSite: S (16.21, 13.94, 6.469) [0.7981, 0.6863, 0.3185]\n", + " PeriodicSite: S (16.58, 14.2, 16.68) [0.8165, 0.6992, 0.8212]\n", + " PeriodicSite: S (7.341, 2.196, 12.65) [0.3614, 0.1081, 0.6225]\n", + " PeriodicSite: S (7.401, 12.99, 2.476) [0.3644, 0.6397, 0.1219]\n", + " PeriodicSite: S (17.58, 2.448, 2.486) [0.8654, 0.1205, 0.1224]\n", + " PeriodicSite: S (17.64, 12.55, 2.594) [0.8686, 0.6178, 0.1277]\n", + " PeriodicSite: S (17.98, 12.97, 13.06) [0.8854, 0.6384, 0.6428]\n", + " PeriodicSite: S (3.803, 9.061, 9.012) [0.1872, 0.4461, 0.4437]\n", + " PeriodicSite: S (3.875, 8.843, 18.85) [0.1908, 0.4354, 0.928]\n", + " PeriodicSite: S (3.618, 19.26, 8.613) [0.1781, 0.9481, 0.424]\n", + " PeriodicSite: S (3.768, 19.38, 19.23) [0.1855, 0.9541, 0.9469]\n", + " PeriodicSite: S (13.77, 9.073, 8.804) [0.6779, 0.4466, 0.4334]\n", + " PeriodicSite: S (14.31, 8.703, 18.95) [0.7045, 0.4284, 0.9332]\n", + " PeriodicSite: S (14.39, 19.24, 9.137) [0.7086, 0.9474, 0.4498]\n", + " PeriodicSite: S (13.92, 19.27, 18.91) [0.6855, 0.9489, 0.931]\n", + " PeriodicSite: S (8.494, 5.981, 1.261) [0.4182, 0.2944, 0.06208]\n", + " PeriodicSite: S (8.727, 6.227, 11.09) [0.4296, 0.3066, 0.5462]\n", + " PeriodicSite: S (9.177, 16.66, 0.9317) [0.4518, 0.8202, 0.04587]\n", + " PeriodicSite: S (9.282, 16.57, 11.12) [0.457, 0.816, 0.5474]\n", + " PeriodicSite: S (19.53, 6.586, 1.267) [0.9614, 0.3242, 0.06239]\n", + " PeriodicSite: S (19.14, 5.829, 11.39) [0.9424, 0.287, 0.561]\n", + " PeriodicSite: S (19.13, 16.48, 0.9949) [0.9418, 0.8115, 0.04899]\n", + " PeriodicSite: S (18.85, 16.63, 11.18) [0.9279, 0.8187, 0.5502]\n", + " PeriodicSite: S (0.9992, 6.023, 8.908) [0.04919, 0.2965, 0.4385]\n", + " PeriodicSite: S (1.386, 6.516, 19.26) [0.06822, 0.3208, 0.9484]\n", + " PeriodicSite: S (1.134, 16.34, 8.959) [0.05581, 0.8044, 0.4411]\n", + " PeriodicSite: S (1.228, 16.57, 19.09) [0.06045, 0.8158, 0.94]\n", + " PeriodicSite: S (11.16, 6.124, 8.921) [0.5495, 0.3015, 0.4392]\n", + " PeriodicSite: S (11.04, 6.443, 19.52) [0.5434, 0.3172, 0.9612]\n", + " PeriodicSite: S (11.66, 16.61, 8.898) [0.5741, 0.8177, 0.438]\n", + " PeriodicSite: S (11.76, 16.89, 19.15) [0.5791, 0.8313, 0.9427]\n", + " PeriodicSite: S (6.496, 8.893, 1.073) [0.3198, 0.4378, 0.05282]\n", + " PeriodicSite: S (6.055, 9.093, 11.42) [0.2981, 0.4477, 0.5623]\n", + " PeriodicSite: S (6.384, 19.13, 0.9955) [0.3143, 0.942, 0.04901]\n", + " PeriodicSite: S (5.354, 18.76, 11.39) [0.2636, 0.9235, 0.5609]\n", + " PeriodicSite: S (16.52, 8.711, 1.034) [0.8132, 0.4288, 0.05092]\n", + " PeriodicSite: S (16.35, 9.005, 11.29) [0.805, 0.4433, 0.5559]\n", + " PeriodicSite: S (16.15, 19.31, 0.9776) [0.7951, 0.9505, 0.04814]\n", + " PeriodicSite: S (16.11, 19.06, 11.93) [0.7933, 0.9385, 0.5873]\n", + " PeriodicSite: S (7.494, 7.484, 17.69) [0.3689, 0.3684, 0.871]\n", + " PeriodicSite: S (7.224, 17.84, 8.062) [0.3556, 0.8783, 0.3969]\n", + " PeriodicSite: S (17.34, 7.769, 7.645) [0.8534, 0.3825, 0.3764]\n", + " PeriodicSite: S (17.52, 17.88, 7.646) [0.8628, 0.8804, 0.3764]\n", + " PeriodicSite: P (5.047, 0.0218, 0.05319) [0.2485, 0.001071, 0.00262]\n", + " PeriodicSite: P (4.623, 20.21, 10.13) [0.2276, 0.9949, 0.4988]\n", + " PeriodicSite: P (5.03, 10.0, 20.2) [0.2476, 0.4923, 0.9943]\n", + " PeriodicSite: P (4.966, 10.24, 10.14) [0.2445, 0.5043, 0.4993]\n", + " PeriodicSite: P (15.05, 0.151, 20.14) [0.7407, 0.007429, 0.9917]\n", + " PeriodicSite: P (15.29, 0.004748, 10.47) [0.7527, 0.0002276, 0.5153]\n", + " PeriodicSite: P (15.62, 9.954, 20.14) [0.7692, 0.49, 0.9916]\n", + " PeriodicSite: P (15.15, 10.03, 9.997) [0.7459, 0.494, 0.4922]\n", + " PeriodicSite: P (4.796, 4.979, 5.293) [0.2361, 0.2451, 0.2606]\n", + " PeriodicSite: P (4.889, 5.229, 14.91) [0.2407, 0.2574, 0.7339]\n", + " PeriodicSite: P (5.172, 15.5, 5.167) [0.2546, 0.7629, 0.2544]\n", + " PeriodicSite: P (5.085, 15.42, 15.17) [0.2504, 0.7593, 0.747]\n", + " PeriodicSite: P (15.19, 4.755, 4.795) [0.7477, 0.2341, 0.2361]\n", + " PeriodicSite: P (15.11, 5.163, 15.08) [0.7438, 0.2542, 0.7426]\n", + " PeriodicSite: P (15.02, 15.1, 5.214) [0.7396, 0.7436, 0.2567]\n", + " PeriodicSite: P (15.31, 15.17, 15.44) [0.7538, 0.7467, 0.7603]\n", + " PeriodicSite: P (19.98, 20.01, 4.799) [0.9835, 0.9852, 0.2363]\n", + " PeriodicSite: P (20.26, 20.04, 15.5) [0.9976, 0.9865, 0.7629]\n", + " PeriodicSite: P (0.1172, 10.12, 5.248) [0.005768, 0.4983, 0.2584]\n", + " PeriodicSite: P (0.1331, 10.19, 15.14) [0.006554, 0.5016, 0.7452]\n", + " PeriodicSite: P (9.951, 20.2, 5.363) [0.4899, 0.9943, 0.2641]\n", + " PeriodicSite: P (10.33, 0.2377, 15.5) [0.5083, 0.0117, 0.7629]\n", + " PeriodicSite: P (10.16, 10.13, 4.991) [0.5003, 0.4986, 0.2457]\n", + " PeriodicSite: P (10.41, 10.07, 15.1) [0.5126, 0.4956, 0.7433]\n", + " PeriodicSite: P (0.3333, 5.282, 0.204) [0.0164, 0.26, 0.01005]\n", + " PeriodicSite: P (20.08, 4.716, 9.925) [0.9885, 0.2322, 0.4886]\n", + " PeriodicSite: P (0.08296, 15.21, 20.27) [0.004083, 0.749, 0.998]\n", + " PeriodicSite: P (20.15, 15.29, 10.24) [0.9919, 0.7527, 0.5043]\n", + " PeriodicSite: P (10.05, 5.013, 0.3074) [0.4947, 0.2468, 0.01514]\n", + " PeriodicSite: P (9.868, 4.918, 9.974) [0.4858, 0.2421, 0.491]\n", + " PeriodicSite: P (10.6, 15.46, 20.2) [0.5217, 0.7612, 0.9944]\n", + " PeriodicSite: P (10.5, 15.3, 9.986) [0.5171, 0.7533, 0.4916],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.569, 6.828, 3.007) [0.02801, 0.3361, 0.148]\n", + " PeriodicSite: Li (1.959, 3.518, 15.6) [0.09643, 0.1732, 0.7681]\n", + " PeriodicSite: Li (0.1061, 12.33, 7.897) [0.005222, 0.607, 0.3888]\n", + " PeriodicSite: Li (0.3439, 13.17, 16.63) [0.01693, 0.6485, 0.8188]\n", + " PeriodicSite: Li (14.8, 1.457, 7.51) [0.7287, 0.0717, 0.3697]\n", + " PeriodicSite: Li (11.68, 3.303, 15.53) [0.5751, 0.1626, 0.7647]\n", + " PeriodicSite: Li (17.46, 12.37, 4.928) [0.8595, 0.6092, 0.2426]\n", + " PeriodicSite: Li (17.52, 8.471, 15.14) [0.8627, 0.417, 0.7452]\n", + " PeriodicSite: Li (5.058, 4.222, 7.989) [0.249, 0.2079, 0.3933]\n", + " PeriodicSite: Li (2.459, 0.8271, 19.54) [0.1211, 0.04072, 0.9618]\n", + " PeriodicSite: Li (4.312, 8.013, 5.449) [0.2123, 0.3945, 0.2683]\n", + " PeriodicSite: Li (7.15, 9.886, 17.34) [0.352, 0.4867, 0.8536]\n", + " PeriodicSite: Li (12.47, 4.385, 6.023) [0.6139, 0.2159, 0.2965]\n", + " PeriodicSite: Li (13.78, 3.159, 20.1) [0.6786, 0.1555, 0.9896]\n", + " PeriodicSite: Li (12.12, 9.738, 11.21) [0.5968, 0.4794, 0.5521]\n", + " PeriodicSite: Li (9.904, 18.23, 18.38) [0.4876, 0.8973, 0.9048]\n", + " PeriodicSite: Li (4.946, 1.22, 6.904) [0.2435, 0.06008, 0.3399]\n", + " PeriodicSite: Li (2.987, 0.4949, 16.74) [0.1471, 0.02436, 0.8241]\n", + " PeriodicSite: Li (3.524, 10.14, 7.25) [0.1735, 0.4993, 0.3569]\n", + " PeriodicSite: Li (7.101, 9.221, 13.85) [0.3496, 0.4539, 0.6818]\n", + " PeriodicSite: Li (12.15, 1.65, 9.715) [0.5979, 0.08125, 0.4783]\n", + " PeriodicSite: Li (11.11, 1.743, 19.17) [0.5469, 0.08579, 0.9436]\n", + " PeriodicSite: Li (13.86, 15.43, 8.538) [0.6823, 0.7595, 0.4204]\n", + " PeriodicSite: Li (12.42, 10.42, 19.47) [0.6113, 0.5128, 0.9586]\n", + " PeriodicSite: Li (1.991, 4.303, 5.765) [0.09804, 0.2119, 0.2838]\n", + " PeriodicSite: Li (20.2, 1.819, 18.65) [0.9944, 0.08953, 0.9179]\n", + " PeriodicSite: Li (1.808, 14.85, 6.975) [0.08902, 0.731, 0.3434]\n", + " PeriodicSite: Li (4.239, 13.98, 17.99) [0.2087, 0.688, 0.8858]\n", + " PeriodicSite: Li (13.05, 1.163, 6.074) [0.6426, 0.05725, 0.299]\n", + " PeriodicSite: Li (13.37, 0.5827, 17.19) [0.6583, 0.02868, 0.8462]\n", + " PeriodicSite: Li (10.88, 12.09, 9.101) [0.5356, 0.5954, 0.448]\n", + " PeriodicSite: Li (16.61, 17.35, 20.03) [0.8175, 0.854, 0.9859]\n", + " PeriodicSite: Li (7.029, 20.22, 4.512) [0.346, 0.9954, 0.2221]\n", + " PeriodicSite: Li (1.247, 18.4, 0.5318) [0.06138, 0.9059, 0.02619]\n", + " PeriodicSite: Li (2.862, 14.43, 9.788) [0.1409, 0.7105, 0.4819]\n", + " PeriodicSite: Li (2.169, 16.86, 15.12) [0.1068, 0.8302, 0.7441]\n", + " PeriodicSite: Li (15.24, 3.759, 8.188) [0.7503, 0.185, 0.4031]\n", + " PeriodicSite: Li (15.24, 4.003, 18.14) [0.7501, 0.1971, 0.8932]\n", + " PeriodicSite: Li (16.94, 15.48, 8.426) [0.8339, 0.7619, 0.4148]\n", + " PeriodicSite: Li (10.83, 12.22, 17.85) [0.5332, 0.6018, 0.8787]\n", + " PeriodicSite: Li (5.256, 2.276, 3.047) [0.2588, 0.1121, 0.15]\n", + " PeriodicSite: Li (4.929, 2.158, 17.45) [0.2427, 0.1062, 0.8593]\n", + " PeriodicSite: Li (3.004, 12.38, 5.603) [0.1479, 0.6094, 0.2759]\n", + " PeriodicSite: Li (20.24, 13.14, 3.538) [0.9964, 0.6468, 0.1742]\n", + " PeriodicSite: Li (10.15, 2.88, 6.516) [0.4995, 0.1418, 0.3208]\n", + " PeriodicSite: Li (16.68, 20.01, 17.35) [0.8211, 0.9852, 0.8541]\n", + " PeriodicSite: Li (14.86, 11.75, 2.981) [0.7316, 0.5782, 0.1467]\n", + " PeriodicSite: Li (14.96, 8.064, 16.51) [0.7363, 0.397, 0.8127]\n", + " PeriodicSite: Li (3.357, 11.93, 15.18) [0.1653, 0.5872, 0.7473]\n", + " PeriodicSite: Li (2.078, 11.3, 9.735) [0.1023, 0.5564, 0.4793]\n", + " PeriodicSite: Li (0.58, 17.0, 2.859) [0.02855, 0.8367, 0.1407]\n", + " PeriodicSite: Li (1.771, 1.082, 9.361) [0.08718, 0.05327, 0.4609]\n", + " PeriodicSite: Li (11.91, 5.201, 3.272) [0.5863, 0.256, 0.1611]\n", + " PeriodicSite: Li (11.84, 6.885, 14.59) [0.583, 0.3389, 0.7185]\n", + " PeriodicSite: Li (11.76, 14.75, 6.753) [0.579, 0.7264, 0.3324]\n", + " PeriodicSite: Li (14.08, 0.2563, 13.49) [0.6934, 0.01261, 0.664]\n", + " PeriodicSite: Li (3.189, 6.507, 0.2779) [0.157, 0.3203, 0.01368]\n", + " PeriodicSite: Li (2.823, 4.689, 9.266) [0.139, 0.2308, 0.4562]\n", + " PeriodicSite: Li (6.886, 15.91, 18.87) [0.339, 0.7831, 0.9292]\n", + " PeriodicSite: Li (4.98, 18.33, 16.96) [0.2452, 0.9024, 0.8349]\n", + " PeriodicSite: Li (14.75, 6.574, 1.896) [0.7262, 0.3236, 0.09335]\n", + " PeriodicSite: Li (10.34, 7.805, 11.95) [0.509, 0.3842, 0.5885]\n", + " PeriodicSite: Li (12.98, 18.25, 5.048) [0.6391, 0.8984, 0.2485]\n", + " PeriodicSite: Li (10.81, 17.09, 13.72) [0.5324, 0.8415, 0.6755]\n", + " PeriodicSite: Li (4.302, 10.68, 17.56) [0.2118, 0.5256, 0.8647]\n", + " PeriodicSite: Li (4.258, 6.501, 11.79) [0.2096, 0.32, 0.5805]\n", + " PeriodicSite: Li (5.146, 18.4, 3.036) [0.2534, 0.906, 0.1495]\n", + " PeriodicSite: Li (1.814, 18.04, 10.38) [0.08928, 0.8881, 0.5111]\n", + " PeriodicSite: Li (10.47, 7.901, 2.096) [0.5155, 0.3889, 0.1032]\n", + " PeriodicSite: Li (12.51, 5.132, 12.61) [0.616, 0.2527, 0.6209]\n", + " PeriodicSite: Li (10.87, 16.3, 2.545) [0.535, 0.8026, 0.1253]\n", + " PeriodicSite: Li (13.84, 15.37, 12.03) [0.6812, 0.7568, 0.5925]\n", + " PeriodicSite: Li (0.5737, 8.815, 1.43) [0.02824, 0.434, 0.07042]\n", + " PeriodicSite: Li (17.33, 6.142, 10.16) [0.8529, 0.3023, 0.5003]\n", + " PeriodicSite: Li (2.084, 17.34, 4.926) [0.1026, 0.8539, 0.2425]\n", + " PeriodicSite: Li (0.8156, 20.07, 12.53) [0.04015, 0.9881, 0.6166]\n", + " PeriodicSite: Li (9.121, 7.076, 5.612) [0.4491, 0.3483, 0.2763]\n", + " PeriodicSite: Li (13.88, 9.004, 13.46) [0.6835, 0.4433, 0.6629]\n", + " PeriodicSite: Li (13.87, 15.69, 1.387) [0.6829, 0.7723, 0.06827]\n", + " PeriodicSite: Li (11.74, 15.64, 16.61) [0.5782, 0.7698, 0.8177]\n", + " PeriodicSite: Li (6.412, 9.297, 3.775) [0.3157, 0.4577, 0.1858]\n", + " PeriodicSite: Li (20.29, 12.47, 12.88) [0.9991, 0.6138, 0.6342]\n", + " PeriodicSite: Li (18.48, 16.22, 5.716) [0.9097, 0.7985, 0.2814]\n", + " PeriodicSite: Li (3.959, 18.7, 13.76) [0.1949, 0.9207, 0.6772]\n", + " PeriodicSite: Li (17.59, 10.31, 3.162) [0.8659, 0.5078, 0.1557]\n", + " PeriodicSite: Li (13.1, 6.94, 10.06) [0.6451, 0.3417, 0.4951]\n", + " PeriodicSite: Li (12.69, 18.61, 0.1671) [0.6245, 0.916, 0.00823]\n", + " PeriodicSite: Li (13.53, 17.47, 10.44) [0.6663, 0.8599, 0.514]\n", + " PeriodicSite: Li (3.414, 3.295, 0.1872) [0.1681, 0.1622, 0.009217]\n", + " PeriodicSite: Li (3.763, 9.432, 13.45) [0.1852, 0.4644, 0.6622]\n", + " PeriodicSite: Li (2.965, 20.08, 2.928) [0.146, 0.9885, 0.1441]\n", + " PeriodicSite: Li (0.1172, 15.95, 13.21) [0.005764, 0.7855, 0.6504]\n", + " PeriodicSite: Li (13.03, 9.631, 3.796) [0.6415, 0.4741, 0.1869]\n", + " PeriodicSite: Li (14.98, 6.542, 11.99) [0.7375, 0.3221, 0.5905]\n", + " PeriodicSite: Li (15.07, 18.21, 3.266) [0.742, 0.8964, 0.1608]\n", + " PeriodicSite: Li (19.6, 3.688, 12.98) [0.965, 0.1816, 0.6391]\n", + " PeriodicSite: Li (9.885, 2.49, 2.771) [0.4867, 0.1226, 0.1364]\n", + " PeriodicSite: Li (9.321, 0.4441, 12.61) [0.4589, 0.02186, 0.6206]\n", + " PeriodicSite: Li (5.888, 12.31, 4.282) [0.2899, 0.6058, 0.2108]\n", + " PeriodicSite: Li (6.313, 12.28, 14.62) [0.3108, 0.6046, 0.7197]\n", + " PeriodicSite: Li (18.99, 2.841, 4.578) [0.9351, 0.1398, 0.2254]\n", + " PeriodicSite: Li (12.68, 4.412, 9.133) [0.6244, 0.2172, 0.4496]\n", + " PeriodicSite: Li (19.3, 12.34, 0.6982) [0.95, 0.6077, 0.03438]\n", + " PeriodicSite: Li (17.53, 10.88, 14.21) [0.8632, 0.5357, 0.6997]\n", + " PeriodicSite: Li (5.222, 18.6, 6.587) [0.2571, 0.9156, 0.3243]\n", + " PeriodicSite: Li (8.105, 2.947, 15.26) [0.399, 0.1451, 0.751]\n", + " PeriodicSite: Li (7.557, 14.04, 0.2674) [0.372, 0.691, 0.01317]\n", + " PeriodicSite: Li (10.31, 13.48, 13.67) [0.5074, 0.6636, 0.6732]\n", + " PeriodicSite: Li (13.39, 0.3013, 3.465) [0.6592, 0.01483, 0.1706]\n", + " PeriodicSite: Li (19.11, 2.078, 10.41) [0.941, 0.1023, 0.5125]\n", + " PeriodicSite: Li (16.99, 15.03, 1.931) [0.8363, 0.74, 0.09507]\n", + " PeriodicSite: Li (17.34, 14.82, 11.44) [0.8535, 0.7298, 0.563]\n", + " PeriodicSite: Li (7.949, 5.053, 6.988) [0.3913, 0.2488, 0.344]\n", + " PeriodicSite: Li (6.504, 20.07, 13.85) [0.3202, 0.9878, 0.6821]\n", + " PeriodicSite: Li (10.32, 12.79, 2.224) [0.508, 0.6297, 0.1095]\n", + " PeriodicSite: Li (5.91, 13.21, 11.53) [0.2909, 0.6505, 0.5679]\n", + " PeriodicSite: Li (20.11, 2.579, 1.489) [0.99, 0.1269, 0.0733]\n", + " PeriodicSite: Li (0.6093, 7.595, 11.47) [0.02999, 0.3739, 0.5648]\n", + " PeriodicSite: Li (16.59, 12.85, 0.4663) [0.8169, 0.6326, 0.02296]\n", + " PeriodicSite: Li (15.65, 11.58, 12.58) [0.7703, 0.5703, 0.6194]\n", + " PeriodicSite: Li (2.617, 0.695, 5.197) [0.1289, 0.03422, 0.2558]\n", + " PeriodicSite: Li (4.694, 1.731, 14.04) [0.2311, 0.08521, 0.6912]\n", + " PeriodicSite: Li (5.526, 13.0, 0.9806) [0.272, 0.6399, 0.04828]\n", + " PeriodicSite: Li (8.46, 6.945, 15.33) [0.4165, 0.3419, 0.7546]\n", + " PeriodicSite: Li (17.56, 4.634, 2.608) [0.8646, 0.2282, 0.1284]\n", + " PeriodicSite: Li (17.58, 0.1997, 13.93) [0.8655, 0.009825, 0.6857]\n", + " PeriodicSite: Li (14.1, 14.54, 18.53) [0.694, 0.716, 0.9124]\n", + " PeriodicSite: Li (17.81, 11.45, 10.41) [0.8768, 0.5638, 0.5125]\n", + " PeriodicSite: Li (7.051, 3.78, 0.5254) [0.3471, 0.1861, 0.02587]\n", + " PeriodicSite: Li (4.879, 2.962, 11.84) [0.2402, 0.1458, 0.583]\n", + " PeriodicSite: Li (8.133, 10.86, 1.465) [0.4004, 0.5347, 0.07214]\n", + " PeriodicSite: Li (7.805, 10.21, 10.99) [0.3842, 0.5026, 0.5412]\n", + " PeriodicSite: Li (15.98, 2.003, 4.195) [0.7868, 0.09859, 0.2065]\n", + " PeriodicSite: Li (15.73, 3.668, 11.06) [0.7746, 0.1806, 0.5444]\n", + " PeriodicSite: Li (2.097, 11.75, 19.97) [0.1032, 0.5786, 0.9833]\n", + " PeriodicSite: Li (18.04, 13.85, 14.7) [0.8883, 0.6817, 0.7239]\n", + " PeriodicSite: Li (8.012, 0.6755, 0.657) [0.3944, 0.03325, 0.03235]\n", + " PeriodicSite: Li (7.763, 2.131, 10.4) [0.3822, 0.1049, 0.5118]\n", + " PeriodicSite: Li (8.55, 13.62, 4.671) [0.4209, 0.6707, 0.23]\n", + " PeriodicSite: Li (3.927, 16.09, 12.32) [0.1933, 0.792, 0.6066]\n", + " PeriodicSite: Li (16.06, 2.674, 0.9392) [0.7908, 0.1317, 0.04624]\n", + " PeriodicSite: Li (0.7607, 7.312, 15.05) [0.03745, 0.36, 0.7409]\n", + " PeriodicSite: Li (4.847, 13.14, 8.478) [0.2386, 0.6469, 0.4174]\n", + " PeriodicSite: Li (14.72, 13.34, 9.592) [0.7247, 0.6569, 0.4722]\n", + " PeriodicSite: Li (14.41, 12.18, 6.018) [0.7095, 0.5996, 0.2963]\n", + " PeriodicSite: Li (5.782, 7.761, 16.19) [0.2847, 0.3821, 0.7968]\n", + " PeriodicSite: Li (6.854, 16.84, 10.09) [0.3374, 0.8291, 0.4967]\n", + " PeriodicSite: Li (3.527, 16.74, 0.07324) [0.1736, 0.824, 0.003608]\n", + " PeriodicSite: Li (16.7, 9.868, 6.566) [0.8224, 0.4858, 0.3233]\n", + " PeriodicSite: Li (0.9456, 4.493, 18.43) [0.04655, 0.2212, 0.9074]\n", + " PeriodicSite: Li (17.12, 18.79, 5.489) [0.8427, 0.9251, 0.2702]\n", + " PeriodicSite: Li (19.83, 19.15, 18.13) [0.9765, 0.9426, 0.8925]\n", + " PeriodicSite: Li (6.957, 10.18, 6.749) [0.3425, 0.501, 0.3323]\n", + " PeriodicSite: Li (8.75, 5.146, 17.53) [0.4308, 0.2533, 0.8632]\n", + " PeriodicSite: Li (7.611, 19.88, 8.274) [0.3747, 0.9787, 0.4074]\n", + " PeriodicSite: Li (7.922, 16.6, 14.95) [0.39, 0.8171, 0.736]\n", + " PeriodicSite: Li (18.59, 8.955, 8.986) [0.9151, 0.4409, 0.4424]\n", + " PeriodicSite: Li (16.55, 7.076, 19.69) [0.815, 0.3483, 0.9692]\n", + " PeriodicSite: Li (17.67, 20.1, 8.189) [0.8701, 0.9895, 0.4032]\n", + " PeriodicSite: Li (18.12, 17.29, 15.7) [0.892, 0.8513, 0.773]\n", + " PeriodicSite: Li (6.873, 6.775, 9.7) [0.3384, 0.3335, 0.4775]\n", + " PeriodicSite: Li (4.336, 5.005, 17.71) [0.2135, 0.2464, 0.8718]\n", + " PeriodicSite: Li (10.56, 18.37, 9.663) [0.5199, 0.9044, 0.4757]\n", + " PeriodicSite: Li (13.38, 12.33, 15.49) [0.6588, 0.6072, 0.7626]\n", + " PeriodicSite: Li (20.03, 7.552, 6.773) [0.9861, 0.3718, 0.3335]\n", + " PeriodicSite: Li (18.03, 5.295, 16.76) [0.8877, 0.2606, 0.8253]\n", + " PeriodicSite: Li (17.24, 17.48, 9.94) [0.8488, 0.8604, 0.4894]\n", + " PeriodicSite: Li (17.21, 15.35, 18.31) [0.8473, 0.7557, 0.9012]\n", + " PeriodicSite: Li (9.949, 8.703, 7.982) [0.4898, 0.4284, 0.393]\n", + " PeriodicSite: Li (5.669, 5.898, 1.861) [0.2791, 0.2904, 0.09163]\n", + " PeriodicSite: Li (4.592, 16.97, 8.639) [0.2261, 0.8353, 0.4253]\n", + " PeriodicSite: Li (6.384, 15.16, 2.299) [0.3143, 0.7465, 0.1132]\n", + " PeriodicSite: Li (15.58, 7.53, 8.777) [0.7671, 0.3707, 0.4321]\n", + " PeriodicSite: Li (18.8, 9.407, 18.0) [0.9254, 0.4631, 0.8861]\n", + " PeriodicSite: Li (15.49, 17.95, 7.852) [0.7624, 0.8839, 0.3866]\n", + " PeriodicSite: Li (14.76, 17.93, 14.65) [0.7267, 0.8828, 0.721]\n", + " PeriodicSite: Li (7.061, 4.654, 12.03) [0.3476, 0.2291, 0.5923]\n", + " PeriodicSite: Li (6.346, 7.079, 19.39) [0.3124, 0.3485, 0.9547]\n", + " PeriodicSite: Li (8.401, 16.9, 5.772) [0.4136, 0.8322, 0.2842]\n", + " PeriodicSite: Li (11.01, 19.39, 2.337) [0.5419, 0.9544, 0.1151]\n", + " PeriodicSite: Li (15.17, 8.04, 5.212) [0.747, 0.3958, 0.2566]\n", + " PeriodicSite: Li (13.43, 6.17, 19.34) [0.6613, 0.3037, 0.9523]\n", + " PeriodicSite: Li (20.2, 18.26, 8.061) [0.9943, 0.8989, 0.3969]\n", + " PeriodicSite: Li (17.75, 0.2009, 2.704) [0.8738, 0.00988, 0.1331]\n", + " PeriodicSite: Li (3.13, 9.899, 3.351) [0.1541, 0.4874, 0.165]\n", + " PeriodicSite: Li (9.751, 8.236, 18.41) [0.4801, 0.4055, 0.9063]\n", + " PeriodicSite: Li (7.772, 15.2, 7.889) [0.3826, 0.7484, 0.3884]\n", + " PeriodicSite: Li (7.315, 0.03394, 16.81) [0.3601, 0.001669, 0.8276]\n", + " PeriodicSite: Li (18.02, 5.307, 6.33) [0.8874, 0.2612, 0.3116]\n", + " PeriodicSite: Li (15.02, 11.16, 17.25) [0.7394, 0.5494, 0.8492]\n", + " PeriodicSite: Li (2.958, 15.37, 1.682) [0.1456, 0.7566, 0.08279]\n", + " PeriodicSite: Li (15.73, 2.199, 14.08) [0.7744, 0.1083, 0.6931]\n", + " PeriodicSite: Cl (7.65, 12.22, 12.63) [0.3766, 0.6014, 0.6218]\n", + " PeriodicSite: Cl (2.562, 12.43, 17.71) [0.1261, 0.6119, 0.872]\n", + " PeriodicSite: Cl (12.87, 18.06, 13.02) [0.6334, 0.889, 0.6409]\n", + " PeriodicSite: Cl (17.46, 7.394, 17.55) [0.8597, 0.364, 0.8642]\n", + " PeriodicSite: Cl (7.673, 2.068, 2.422) [0.3778, 0.1018, 0.1192]\n", + " PeriodicSite: Cl (7.684, 7.495, 7.601) [0.3783, 0.369, 0.3742]\n", + " PeriodicSite: Cl (12.91, 12.81, 7.849) [0.6354, 0.6306, 0.3864]\n", + " PeriodicSite: Cl (2.755, 8.035, 2.506) [0.1356, 0.3956, 0.1234]\n", + " PeriodicSite: Cl (2.275, 7.267, 12.86) [0.112, 0.3578, 0.6332]\n", + " PeriodicSite: Cl (13.2, 12.45, 17.7) [0.6499, 0.613, 0.8712]\n", + " PeriodicSite: Cl (17.82, 17.7, 18.06) [0.8771, 0.8716, 0.889]\n", + " PeriodicSite: Cl (2.708, 2.587, 7.658) [0.1333, 0.1274, 0.377]\n", + " PeriodicSite: Cl (12.8, 3.113, 17.93) [0.6303, 0.1532, 0.8829]\n", + " PeriodicSite: Cl (12.76, 7.525, 2.897) [0.628, 0.3705, 0.1426]\n", + " PeriodicSite: Cl (17.71, 2.21, 12.39) [0.8718, 0.1088, 0.61]\n", + " PeriodicSite: Cl (7.393, 18.26, 17.7) [0.364, 0.8988, 0.8712]\n", + " PeriodicSite: Cl (0.2257, 0.1991, 20.18) [0.01112, 0.009802, 0.9936]\n", + " PeriodicSite: Cl (20.27, 20.04, 10.05) [0.9981, 0.9865, 0.4949]\n", + " PeriodicSite: Cl (20.24, 10.41, 20.28) [0.9965, 0.5125, 0.9986]\n", + " PeriodicSite: Cl (20.01, 10.53, 9.884) [0.9852, 0.5185, 0.4866]\n", + " PeriodicSite: Cl (10.43, 19.97, 0.241) [0.5134, 0.9834, 0.01187]\n", + " PeriodicSite: Cl (9.525, 0.1159, 10.11) [0.4689, 0.005701, 0.4977]\n", + " PeriodicSite: Cl (10.26, 10.17, 20.24) [0.505, 0.5005, 0.9964]\n", + " PeriodicSite: Cl (10.04, 9.756, 10.17) [0.4942, 0.4803, 0.5008]\n", + " PeriodicSite: Cl (20.22, 5.084, 4.958) [0.9952, 0.2503, 0.2441]\n", + " PeriodicSite: Cl (20.24, 5.144, 15.99) [0.9965, 0.2532, 0.787]\n", + " PeriodicSite: Cl (0.2421, 15.21, 4.912) [0.01191, 0.7491, 0.2418]\n", + " PeriodicSite: Cl (19.77, 15.1, 15.19) [0.9731, 0.7436, 0.7477]\n", + " PeriodicSite: Cl (10.08, 4.718, 5.111) [0.4963, 0.2323, 0.2516]\n", + " PeriodicSite: Cl (9.831, 4.933, 15.47) [0.484, 0.2429, 0.7618]\n", + " PeriodicSite: Cl (10.13, 15.48, 5.045) [0.4988, 0.7621, 0.2484]\n", + " PeriodicSite: Cl (9.919, 15.41, 15.04) [0.4883, 0.7588, 0.7403]\n", + " PeriodicSite: S (4.816, 0.0005636, 4.764) [0.2371, 2.591e-05, 0.2345]\n", + " PeriodicSite: S (5.099, 0.2655, 15.81) [0.251, 0.01307, 0.7781]\n", + " PeriodicSite: S (4.899, 10.36, 5.091) [0.2412, 0.51, 0.2506]\n", + " PeriodicSite: S (5.501, 10.22, 15.33) [0.2708, 0.503, 0.7546]\n", + " PeriodicSite: S (14.83, 20.03, 5.316) [0.7298, 0.9861, 0.2617]\n", + " PeriodicSite: S (15.46, 0.08877, 15.21) [0.761, 0.004364, 0.7488]\n", + " PeriodicSite: S (15.47, 10.48, 4.643) [0.7616, 0.5161, 0.2286]\n", + " PeriodicSite: S (15.5, 10.1, 14.98) [0.7631, 0.497, 0.7377]\n", + " PeriodicSite: S (5.051, 5.126, 20.12) [0.2487, 0.2523, 0.9905]\n", + " PeriodicSite: S (5.073, 5.111, 10.33) [0.2497, 0.2516, 0.5084]\n", + " PeriodicSite: S (5.275, 15.1, 0.1973) [0.2597, 0.7436, 0.009715]\n", + " PeriodicSite: S (5.067, 15.32, 10.2) [0.2494, 0.7545, 0.5021]\n", + " PeriodicSite: S (15.07, 5.029, 0.0976) [0.7421, 0.2476, 0.004809]\n", + " PeriodicSite: S (14.74, 5.455, 9.883) [0.7259, 0.2686, 0.4865]\n", + " PeriodicSite: S (15.66, 15.16, 20.07) [0.771, 0.7464, 0.9882]\n", + " PeriodicSite: S (15.29, 15.67, 10.23) [0.753, 0.7714, 0.5038]\n", + " PeriodicSite: S (8.69, 4.024, 8.803) [0.4278, 0.1981, 0.4334]\n", + " PeriodicSite: S (9.184, 3.624, 19.44) [0.4521, 0.1784, 0.9571]\n", + " PeriodicSite: S (9.506, 14.11, 9.1) [0.468, 0.6949, 0.448]\n", + " PeriodicSite: S (9.044, 14.1, 18.91) [0.4453, 0.6943, 0.9309]\n", + " PeriodicSite: S (18.63, 3.986, 8.876) [0.9171, 0.1962, 0.437]\n", + " PeriodicSite: S (19.31, 3.913, 19.34) [0.9509, 0.1926, 0.9523]\n", + " PeriodicSite: S (19.0, 14.13, 8.771) [0.9356, 0.6956, 0.4318]\n", + " PeriodicSite: S (19.35, 14.19, 18.83) [0.9529, 0.6987, 0.9272]\n", + " PeriodicSite: S (3.947, 1.254, 1.225) [0.1943, 0.06173, 0.0603]\n", + " PeriodicSite: S (3.201, 1.299, 11.3) [0.1576, 0.06394, 0.5562]\n", + " PeriodicSite: S (3.841, 11.13, 1.162) [0.1891, 0.5478, 0.05718]\n", + " PeriodicSite: S (3.856, 11.45, 11.36) [0.1899, 0.5637, 0.559]\n", + " PeriodicSite: S (13.66, 1.014, 1.089) [0.6724, 0.04993, 0.0536]\n", + " PeriodicSite: S (14.11, 1.434, 11.64) [0.6944, 0.07059, 0.5732]\n", + " PeriodicSite: S (14.26, 11.23, 0.7765) [0.7021, 0.5526, 0.03823]\n", + " PeriodicSite: S (13.83, 11.66, 11.14) [0.6809, 0.5738, 0.5486]\n", + " PeriodicSite: S (6.069, 1.136, 9.239) [0.2988, 0.05592, 0.4549]\n", + " PeriodicSite: S (6.291, 1.53, 19.28) [0.3097, 0.07532, 0.9492]\n", + " PeriodicSite: S (6.347, 11.08, 9.197) [0.3124, 0.5456, 0.4528]\n", + " PeriodicSite: S (6.119, 11.61, 19.4) [0.3012, 0.5716, 0.9553]\n", + " PeriodicSite: S (16.36, 1.53, 9.228) [0.8052, 0.07531, 0.4543]\n", + " PeriodicSite: S (15.99, 1.583, 19.23) [0.7871, 0.07791, 0.9468]\n", + " PeriodicSite: S (16.05, 11.36, 8.626) [0.7901, 0.559, 0.4247]\n", + " PeriodicSite: S (16.63, 11.09, 19.03) [0.8188, 0.5458, 0.9367]\n", + " PeriodicSite: S (1.335, 4.5, 1.693) [0.06574, 0.2216, 0.08333]\n", + " PeriodicSite: S (1.129, 3.447, 10.63) [0.05556, 0.1697, 0.5231]\n", + " PeriodicSite: S (1.303, 13.87, 1.033) [0.06415, 0.6828, 0.05085]\n", + " PeriodicSite: S (1.032, 14.05, 11.4) [0.05081, 0.6919, 0.5615]\n", + " PeriodicSite: S (11.18, 3.992, 1.566) [0.5506, 0.1965, 0.0771]\n", + " PeriodicSite: S (11.08, 3.88, 11.15) [0.5455, 0.191, 0.5487]\n", + " PeriodicSite: S (11.44, 14.31, 1.092) [0.5633, 0.7047, 0.05376]\n", + " PeriodicSite: S (11.7, 14.32, 11.66) [0.5758, 0.7052, 0.574]\n", + " PeriodicSite: S (2.498, 2.636, 17.95) [0.123, 0.1298, 0.8835]\n", + " PeriodicSite: S (2.414, 12.85, 7.926) [0.1188, 0.6325, 0.3902]\n", + " PeriodicSite: S (12.75, 2.724, 7.686) [0.6277, 0.1341, 0.3784]\n", + " PeriodicSite: S (8.827, 9.228, 3.511) [0.4346, 0.4543, 0.1729]\n", + " PeriodicSite: S (9.427, 8.623, 14.24) [0.4641, 0.4245, 0.7012]\n", + " PeriodicSite: S (9.064, 18.92, 4.138) [0.4462, 0.9314, 0.2037]\n", + " PeriodicSite: S (9.167, 19.28, 14.33) [0.4513, 0.9489, 0.7053]\n", + " PeriodicSite: S (19.85, 8.946, 3.653) [0.9771, 0.4404, 0.1798]\n", + " PeriodicSite: S (19.48, 8.861, 13.87) [0.9591, 0.4362, 0.6827]\n", + " PeriodicSite: S (19.16, 18.6, 3.829) [0.9434, 0.9155, 0.1885]\n", + " PeriodicSite: S (19.48, 18.94, 14.25) [0.9588, 0.9322, 0.7013]\n", + " PeriodicSite: S (3.966, 6.087, 6.743) [0.1953, 0.2997, 0.332]\n", + " PeriodicSite: S (3.659, 6.308, 16.2) [0.1801, 0.3105, 0.7974]\n", + " PeriodicSite: S (3.796, 16.42, 6.217) [0.1869, 0.8082, 0.3061]\n", + " PeriodicSite: S (3.666, 16.04, 16.46) [0.1805, 0.7896, 0.8106]\n", + " PeriodicSite: S (14.05, 6.137, 6.228) [0.6917, 0.3021, 0.3066]\n", + " PeriodicSite: S (13.59, 6.127, 16.23) [0.6691, 0.3016, 0.7988]\n", + " PeriodicSite: S (13.73, 16.48, 6.396) [0.676, 0.8111, 0.3149]\n", + " PeriodicSite: S (13.98, 16.19, 16.51) [0.6881, 0.7968, 0.8127]\n", + " PeriodicSite: S (6.32, 6.432, 4.511) [0.3112, 0.3167, 0.2221]\n", + " PeriodicSite: S (6.213, 6.441, 13.91) [0.3059, 0.3171, 0.6848]\n", + " PeriodicSite: S (6.421, 16.48, 4.182) [0.3161, 0.8115, 0.2059]\n", + " PeriodicSite: S (5.896, 16.72, 13.94) [0.2902, 0.823, 0.6864]\n", + " PeriodicSite: S (16.3, 6.375, 3.946) [0.8025, 0.3138, 0.1943]\n", + " PeriodicSite: S (16.35, 6.142, 13.87) [0.8047, 0.3024, 0.6828]\n", + " PeriodicSite: S (16.36, 16.6, 4.119) [0.8056, 0.8172, 0.2028]\n", + " PeriodicSite: S (16.37, 16.32, 14.18) [0.8057, 0.8035, 0.6981]\n", + " PeriodicSite: S (1.437, 9.234, 6.516) [0.07075, 0.4546, 0.3208]\n", + " PeriodicSite: S (1.248, 8.913, 16.74) [0.06143, 0.4388, 0.8243]\n", + " PeriodicSite: S (1.1, 19.47, 6.176) [0.05414, 0.9585, 0.3041]\n", + " PeriodicSite: S (1.544, 19.0, 16.54) [0.076, 0.9355, 0.8143]\n", + " PeriodicSite: S (11.26, 8.772, 5.935) [0.5544, 0.4319, 0.2922]\n", + " PeriodicSite: S (11.86, 9.204, 16.48) [0.5839, 0.4531, 0.8116]\n", + " PeriodicSite: S (11.18, 19.16, 6.706) [0.5505, 0.9432, 0.3301]\n", + " PeriodicSite: S (11.4, 19.17, 16.75) [0.5611, 0.9435, 0.8245]\n", + " PeriodicSite: S (2.746, 17.77, 2.459) [0.1352, 0.8749, 0.1211]\n", + " PeriodicSite: S (2.053, 17.66, 12.91) [0.1011, 0.8694, 0.6353]\n", + " PeriodicSite: S (12.69, 7.41, 12.4) [0.6245, 0.3648, 0.6107]\n", + " PeriodicSite: S (12.78, 17.9, 2.566) [0.6294, 0.8812, 0.1263]\n", + " PeriodicSite: S (3.728, 4.241, 3.83) [0.1835, 0.2088, 0.1886]\n", + " PeriodicSite: S (3.71, 4.016, 13.89) [0.1826, 0.1977, 0.6837]\n", + " PeriodicSite: S (4.025, 14.06, 3.852) [0.1981, 0.692, 0.1897]\n", + " PeriodicSite: S (4.231, 13.87, 14.05) [0.2083, 0.6826, 0.6918]\n", + " PeriodicSite: S (13.93, 3.849, 3.932) [0.6859, 0.1895, 0.1936]\n", + " PeriodicSite: S (13.75, 3.768, 14.04) [0.6769, 0.1855, 0.6911]\n", + " PeriodicSite: S (13.88, 14.02, 4.011) [0.6834, 0.6901, 0.1975]\n", + " PeriodicSite: S (14.13, 13.93, 13.98) [0.6955, 0.6857, 0.6882]\n", + " PeriodicSite: S (8.547, 1.25, 6.1) [0.4208, 0.06153, 0.3003]\n", + " PeriodicSite: S (9.279, 1.293, 16.81) [0.4568, 0.06366, 0.8275]\n", + " PeriodicSite: S (8.99, 11.27, 6.207) [0.4426, 0.5547, 0.3056]\n", + " PeriodicSite: S (9.053, 11.2, 16.2) [0.4457, 0.5514, 0.7974]\n", + " PeriodicSite: S (18.47, 0.6829, 5.986) [0.9094, 0.03361, 0.2947]\n", + " PeriodicSite: S (19.11, 0.9079, 16.66) [0.9409, 0.04469, 0.8202]\n", + " PeriodicSite: S (19.26, 11.08, 6.177) [0.948, 0.5457, 0.3041]\n", + " PeriodicSite: S (19.12, 11.19, 16.05) [0.9414, 0.5509, 0.7903]\n", + " PeriodicSite: S (0.7407, 1.284, 3.77) [0.03646, 0.06323, 0.1856]\n", + " PeriodicSite: S (1.339, 1.363, 14.45) [0.06591, 0.06711, 0.7112]\n", + " PeriodicSite: S (1.542, 11.51, 4.06) [0.07591, 0.5665, 0.1999]\n", + " PeriodicSite: S (1.564, 10.97, 13.95) [0.07699, 0.5399, 0.6866]\n", + " PeriodicSite: S (11.34, 1.188, 4.214) [0.5585, 0.05848, 0.2075]\n", + " PeriodicSite: S (11.49, 1.234, 14.1) [0.5658, 0.06073, 0.694]\n", + " PeriodicSite: S (11.43, 11.41, 4.06) [0.5629, 0.5619, 0.1999]\n", + " PeriodicSite: S (11.44, 11.41, 13.98) [0.5633, 0.5615, 0.6884]\n", + " PeriodicSite: S (6.223, 3.498, 6.111) [0.3064, 0.1722, 0.3009]\n", + " PeriodicSite: S (6.154, 3.955, 16.46) [0.303, 0.1947, 0.8102]\n", + " PeriodicSite: S (6.184, 14.02, 6.343) [0.3044, 0.6902, 0.3123]\n", + " PeriodicSite: S (6.571, 14.37, 16.43) [0.3235, 0.7075, 0.8086]\n", + " PeriodicSite: S (16.47, 3.617, 5.935) [0.8108, 0.1781, 0.2922]\n", + " PeriodicSite: S (16.34, 3.946, 16.1) [0.8043, 0.1943, 0.7926]\n", + " PeriodicSite: S (16.15, 14.35, 6.449) [0.7949, 0.7066, 0.3175]\n", + " PeriodicSite: S (16.35, 13.84, 16.6) [0.8049, 0.6814, 0.8174]\n", + " PeriodicSite: S (6.909, 2.163, 12.79) [0.3401, 0.1065, 0.6297]\n", + " PeriodicSite: S (7.523, 12.9, 2.435) [0.3704, 0.6349, 0.1199]\n", + " PeriodicSite: S (17.63, 2.502, 2.619) [0.8679, 0.1232, 0.1289]\n", + " PeriodicSite: S (17.96, 12.82, 2.532) [0.8842, 0.6309, 0.1247]\n", + " PeriodicSite: S (17.67, 12.61, 12.67) [0.87, 0.6208, 0.6236]\n", + " PeriodicSite: S (3.609, 8.867, 9.277) [0.1777, 0.4365, 0.4567]\n", + " PeriodicSite: S (4.324, 8.796, 18.94) [0.2129, 0.4331, 0.9324]\n", + " PeriodicSite: S (3.22, 19.41, 8.93) [0.1585, 0.9554, 0.4396]\n", + " PeriodicSite: S (3.98, 19.22, 19.05) [0.1959, 0.9463, 0.9377]\n", + " PeriodicSite: S (13.56, 9.07, 8.827) [0.6676, 0.4465, 0.4346]\n", + " PeriodicSite: S (14.17, 8.644, 19.18) [0.6975, 0.4256, 0.9443]\n", + " PeriodicSite: S (13.83, 19.53, 9.184) [0.681, 0.9615, 0.4521]\n", + " PeriodicSite: S (14.4, 19.08, 18.83) [0.7089, 0.9391, 0.9269]\n", + " PeriodicSite: S (8.453, 5.867, 1.695) [0.4161, 0.2889, 0.08343]\n", + " PeriodicSite: S (8.787, 6.222, 11.42) [0.4326, 0.3063, 0.562]\n", + " PeriodicSite: S (8.989, 16.48, 0.7931) [0.4425, 0.8115, 0.03905]\n", + " PeriodicSite: S (9.342, 16.77, 11.19) [0.4599, 0.8257, 0.551]\n", + " PeriodicSite: S (18.9, 6.452, 1.361) [0.9306, 0.3176, 0.06703]\n", + " PeriodicSite: S (19.1, 5.747, 11.69) [0.9401, 0.2829, 0.5756]\n", + " PeriodicSite: S (19.37, 16.55, 0.9863) [0.9534, 0.8149, 0.04856]\n", + " PeriodicSite: S (19.03, 16.46, 11.21) [0.9369, 0.8101, 0.5517]\n", + " PeriodicSite: S (0.7686, 6.2, 8.772) [0.03784, 0.3052, 0.4319]\n", + " PeriodicSite: S (0.9774, 6.475, 19.33) [0.04812, 0.3188, 0.9514]\n", + " PeriodicSite: S (1.225, 16.32, 8.911) [0.0603, 0.8035, 0.4387]\n", + " PeriodicSite: S (1.562, 16.48, 19.2) [0.07692, 0.8115, 0.945]\n", + " PeriodicSite: S (11.09, 6.355, 8.722) [0.5459, 0.3129, 0.4294]\n", + " PeriodicSite: S (11.03, 6.727, 20.0) [0.5429, 0.3312, 0.9845]\n", + " PeriodicSite: S (11.81, 16.45, 9.164) [0.5812, 0.81, 0.4512]\n", + " PeriodicSite: S (11.52, 16.31, 19.05) [0.5672, 0.803, 0.9379]\n", + " PeriodicSite: S (6.372, 8.799, 1.107) [0.3137, 0.4332, 0.05451]\n", + " PeriodicSite: S (5.851, 8.726, 11.6) [0.288, 0.4296, 0.5712]\n", + " PeriodicSite: S (6.433, 19.47, 1.125) [0.3167, 0.9586, 0.05539]\n", + " PeriodicSite: S (5.45, 19.0, 11.46) [0.2683, 0.9356, 0.564]\n", + " PeriodicSite: S (16.73, 8.766, 1.18) [0.8235, 0.4316, 0.05809]\n", + " PeriodicSite: S (16.08, 9.05, 11.0) [0.7917, 0.4455, 0.5418]\n", + " PeriodicSite: S (16.44, 19.44, 1.264) [0.8091, 0.9569, 0.06224]\n", + " PeriodicSite: S (16.36, 19.37, 11.48) [0.8052, 0.9535, 0.5651]\n", + " PeriodicSite: S (7.746, 7.529, 17.5) [0.3814, 0.3707, 0.8615]\n", + " PeriodicSite: S (7.138, 17.5, 7.943) [0.3514, 0.8613, 0.3911]\n", + " PeriodicSite: S (17.75, 7.639, 7.48) [0.8737, 0.3761, 0.3682]\n", + " PeriodicSite: S (17.81, 17.84, 7.556) [0.8766, 0.8782, 0.372]\n", + " PeriodicSite: P (5.138, 0.2245, 0.0485) [0.253, 0.01105, 0.002389]\n", + " PeriodicSite: P (4.547, 0.107, 10.31) [0.2239, 0.005265, 0.5076]\n", + " PeriodicSite: P (5.065, 9.971, 0.06725) [0.2493, 0.4909, 0.003313]\n", + " PeriodicSite: P (4.915, 10.08, 10.31) [0.2419, 0.4964, 0.5074]\n", + " PeriodicSite: P (15.02, 0.1196, 20.25) [0.7396, 0.005881, 0.997]\n", + " PeriodicSite: P (15.2, 0.2807, 10.43) [0.7481, 0.01381, 0.5133]\n", + " PeriodicSite: P (15.51, 9.846, 20.2) [0.7636, 0.4847, 0.9944]\n", + " PeriodicSite: P (14.8, 10.25, 9.914) [0.7284, 0.5044, 0.4881]\n", + " PeriodicSite: P (5.041, 5.009, 5.383) [0.2482, 0.2466, 0.265]\n", + " PeriodicSite: P (5.026, 5.007, 15.14) [0.2474, 0.2465, 0.7455]\n", + " PeriodicSite: P (5.018, 15.31, 5.137) [0.2471, 0.7539, 0.2529]\n", + " PeriodicSite: P (5.131, 15.25, 15.24) [0.2526, 0.7507, 0.7501]\n", + " PeriodicSite: P (15.2, 5.001, 5.008) [0.7484, 0.2462, 0.2466]\n", + " PeriodicSite: P (15.07, 5.123, 15.02) [0.7417, 0.2522, 0.7396]\n", + " PeriodicSite: P (15.0, 15.32, 5.1) [0.7386, 0.7542, 0.2511]\n", + " PeriodicSite: P (15.18, 15.04, 15.29) [0.7473, 0.7406, 0.753]\n", + " PeriodicSite: P (20.04, 20.14, 4.904) [0.9866, 0.9916, 0.2414]\n", + " PeriodicSite: P (0.2402, 20.24, 15.55) [0.01182, 0.9963, 0.7654]\n", + " PeriodicSite: P (0.4341, 10.16, 5.077) [0.02137, 0.5003, 0.25]\n", + " PeriodicSite: P (0.2752, 9.931, 15.33) [0.01355, 0.4889, 0.7547]\n", + " PeriodicSite: P (10.02, 20.18, 5.407) [0.4934, 0.9934, 0.2662]\n", + " PeriodicSite: P (10.4, 0.08798, 15.44) [0.5121, 0.004328, 0.7601]\n", + " PeriodicSite: P (10.06, 10.11, 4.956) [0.495, 0.4977, 0.244]\n", + " PeriodicSite: P (10.49, 10.11, 15.3) [0.5165, 0.4978, 0.7532]\n", + " PeriodicSite: P (20.24, 5.289, 0.3488) [0.9963, 0.2604, 0.01718]\n", + " PeriodicSite: P (20.07, 4.879, 9.996) [0.9883, 0.2402, 0.4921]\n", + " PeriodicSite: P (0.1769, 15.3, 20.17) [0.008707, 0.7534, 0.993]\n", + " PeriodicSite: P (20.2, 15.17, 10.17) [0.9945, 0.7468, 0.5007]\n", + " PeriodicSite: P (9.926, 5.138, 0.4707) [0.4887, 0.2529, 0.02318]\n", + " PeriodicSite: P (9.894, 5.221, 10.02) [0.4871, 0.257, 0.4931]\n", + " PeriodicSite: P (10.15, 15.28, 20.14) [0.4997, 0.7521, 0.9915]\n", + " PeriodicSite: P (10.46, 15.34, 10.36) [0.5151, 0.755, 0.51],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.7405, 6.536, 2.988) [0.03645, 0.3218, 0.1471]\n", + " PeriodicSite: Li (1.632, 3.483, 15.51) [0.08035, 0.1715, 0.7634]\n", + " PeriodicSite: Li (0.5403, 12.14, 7.593) [0.0266, 0.5979, 0.3738]\n", + " PeriodicSite: Li (0.3076, 13.67, 16.53) [0.01514, 0.6729, 0.814]\n", + " PeriodicSite: Li (15.08, 1.486, 7.226) [0.7423, 0.07313, 0.3558]\n", + " PeriodicSite: Li (11.93, 3.296, 15.73) [0.5872, 0.1623, 0.7746]\n", + " PeriodicSite: Li (17.93, 12.8, 4.631) [0.883, 0.6299, 0.228]\n", + " PeriodicSite: Li (17.19, 8.054, 15.21) [0.8462, 0.3965, 0.7486]\n", + " PeriodicSite: Li (5.297, 3.736, 8.475) [0.2608, 0.1839, 0.4172]\n", + " PeriodicSite: Li (2.243, 0.8521, 19.21) [0.1104, 0.04195, 0.9457]\n", + " PeriodicSite: Li (4.265, 7.83, 5.658) [0.2099, 0.3855, 0.2785]\n", + " PeriodicSite: Li (7.457, 9.865, 16.65) [0.3671, 0.4857, 0.8198]\n", + " PeriodicSite: Li (12.3, 4.463, 6.226) [0.6054, 0.2197, 0.3065]\n", + " PeriodicSite: Li (13.48, 3.526, 0.2348) [0.6639, 0.1736, 0.01156]\n", + " PeriodicSite: Li (12.52, 9.997, 11.87) [0.6162, 0.4921, 0.5842]\n", + " PeriodicSite: Li (9.917, 18.35, 18.58) [0.4882, 0.9034, 0.9146]\n", + " PeriodicSite: Li (5.317, 1.527, 6.261) [0.2618, 0.07517, 0.3082]\n", + " PeriodicSite: Li (2.877, 0.3574, 15.14) [0.1417, 0.0176, 0.7455]\n", + " PeriodicSite: Li (3.604, 10.19, 7.454) [0.1774, 0.5017, 0.367]\n", + " PeriodicSite: Li (6.941, 9.958, 13.74) [0.3417, 0.4902, 0.6767]\n", + " PeriodicSite: Li (12.5, 1.598, 9.715) [0.6156, 0.07869, 0.4783]\n", + " PeriodicSite: Li (10.2, 2.055, 18.44) [0.5023, 0.1012, 0.9081]\n", + " PeriodicSite: Li (13.51, 15.71, 8.361) [0.665, 0.7736, 0.4116]\n", + " PeriodicSite: Li (12.88, 10.9, 19.21) [0.6341, 0.5365, 0.9458]\n", + " PeriodicSite: Li (2.139, 4.625, 5.749) [0.1053, 0.2277, 0.283]\n", + " PeriodicSite: Li (0.404, 2.171, 18.04) [0.01989, 0.1069, 0.8883]\n", + " PeriodicSite: Li (1.842, 14.59, 6.978) [0.09067, 0.7183, 0.3435]\n", + " PeriodicSite: Li (3.95, 14.39, 18.53) [0.1945, 0.7085, 0.9122]\n", + " PeriodicSite: Li (12.67, 0.7141, 6.23) [0.6237, 0.03515, 0.3067]\n", + " PeriodicSite: Li (13.55, 20.22, 17.03) [0.6673, 0.9955, 0.8386]\n", + " PeriodicSite: Li (11.54, 12.68, 9.658) [0.5683, 0.6244, 0.4755]\n", + " PeriodicSite: Li (16.11, 17.47, 20.03) [0.7931, 0.8602, 0.9859]\n", + " PeriodicSite: Li (7.427, 0.2411, 4.018) [0.3656, 0.01186, 0.1978]\n", + " PeriodicSite: Li (1.133, 18.17, 0.8185) [0.05575, 0.8946, 0.0403]\n", + " PeriodicSite: Li (2.918, 14.26, 9.515) [0.1436, 0.7021, 0.4684]\n", + " PeriodicSite: Li (1.329, 17.18, 15.0) [0.06541, 0.8456, 0.7386]\n", + " PeriodicSite: Li (14.73, 4.198, 7.971) [0.7253, 0.2067, 0.3924]\n", + " PeriodicSite: Li (14.85, 3.17, 18.36) [0.7312, 0.1561, 0.904]\n", + " PeriodicSite: Li (17.16, 15.07, 8.077) [0.845, 0.7419, 0.3977]\n", + " PeriodicSite: Li (10.3, 12.4, 18.93) [0.5069, 0.6105, 0.9319]\n", + " PeriodicSite: Li (4.798, 1.978, 3.046) [0.2362, 0.09738, 0.15]\n", + " PeriodicSite: Li (4.646, 1.379, 17.41) [0.2287, 0.06788, 0.8572]\n", + " PeriodicSite: Li (3.278, 12.09, 5.679) [0.1614, 0.5954, 0.2796]\n", + " PeriodicSite: Li (20.02, 13.44, 3.377) [0.9854, 0.6615, 0.1663]\n", + " PeriodicSite: Li (10.38, 2.43, 7.959) [0.5112, 0.1196, 0.3918]\n", + " PeriodicSite: Li (16.8, 20.01, 17.07) [0.8271, 0.9851, 0.8406]\n", + " PeriodicSite: Li (15.57, 12.28, 3.467) [0.7663, 0.6046, 0.1707]\n", + " PeriodicSite: Li (15.47, 8.348, 16.86) [0.7618, 0.411, 0.8301]\n", + " PeriodicSite: Li (3.546, 12.11, 15.19) [0.1746, 0.596, 0.7479]\n", + " PeriodicSite: Li (2.216, 11.23, 9.952) [0.1091, 0.5531, 0.49]\n", + " PeriodicSite: Li (0.7077, 16.64, 2.967) [0.03483, 0.8194, 0.1461]\n", + " PeriodicSite: Li (1.813, 1.364, 9.493) [0.08924, 0.06714, 0.4673]\n", + " PeriodicSite: Li (12.05, 5.498, 3.138) [0.5934, 0.2707, 0.1545]\n", + " PeriodicSite: Li (11.32, 6.738, 15.67) [0.5574, 0.3317, 0.7713]\n", + " PeriodicSite: Li (12.24, 14.32, 5.298) [0.6027, 0.7049, 0.2608]\n", + " PeriodicSite: Li (13.06, 20.23, 13.4) [0.643, 0.9959, 0.6595]\n", + " PeriodicSite: Li (3.36, 6.881, 0.3001) [0.1654, 0.3387, 0.01477]\n", + " PeriodicSite: Li (2.719, 4.979, 9.975) [0.1339, 0.2451, 0.4911]\n", + " PeriodicSite: Li (7.184, 15.74, 18.91) [0.3537, 0.7747, 0.931]\n", + " PeriodicSite: Li (4.768, 18.29, 16.35) [0.2347, 0.9004, 0.8048]\n", + " PeriodicSite: Li (14.66, 6.415, 2.21) [0.7215, 0.3158, 0.1088]\n", + " PeriodicSite: Li (10.58, 8.028, 11.65) [0.5206, 0.3952, 0.5733]\n", + " PeriodicSite: Li (12.78, 18.17, 4.842) [0.6292, 0.8943, 0.2384]\n", + " PeriodicSite: Li (10.67, 17.48, 13.57) [0.5254, 0.8607, 0.668]\n", + " PeriodicSite: Li (3.89, 10.34, 17.71) [0.1915, 0.5089, 0.872]\n", + " PeriodicSite: Li (4.627, 6.889, 11.64) [0.2278, 0.3391, 0.573]\n", + " PeriodicSite: Li (4.88, 18.7, 3.15) [0.2402, 0.9208, 0.1551]\n", + " PeriodicSite: Li (2.04, 18.02, 10.6) [0.1004, 0.8872, 0.5219]\n", + " PeriodicSite: Li (10.73, 8.141, 1.749) [0.5281, 0.4008, 0.08609]\n", + " PeriodicSite: Li (13.47, 5.551, 12.09) [0.6631, 0.2733, 0.595]\n", + " PeriodicSite: Li (10.48, 15.91, 2.864) [0.5159, 0.7834, 0.141]\n", + " PeriodicSite: Li (13.82, 15.49, 12.03) [0.6805, 0.7628, 0.5922]\n", + " PeriodicSite: Li (0.5296, 8.639, 1.187) [0.02607, 0.4253, 0.05844]\n", + " PeriodicSite: Li (17.02, 6.002, 9.237) [0.8379, 0.2955, 0.4548]\n", + " PeriodicSite: Li (2.654, 18.1, 5.002) [0.1307, 0.8911, 0.2463]\n", + " PeriodicSite: Li (1.365, 19.63, 12.89) [0.06718, 0.9664, 0.6348]\n", + " PeriodicSite: Li (9.719, 7.378, 5.447) [0.4785, 0.3632, 0.2682]\n", + " PeriodicSite: Li (13.7, 8.371, 14.9) [0.6745, 0.4121, 0.7334]\n", + " PeriodicSite: Li (13.71, 15.58, 1.711) [0.6748, 0.7668, 0.08422]\n", + " PeriodicSite: Li (11.9, 15.99, 16.26) [0.586, 0.7871, 0.8007]\n", + " PeriodicSite: Li (6.756, 9.161, 4.372) [0.3326, 0.451, 0.2152]\n", + " PeriodicSite: Li (20.09, 10.92, 12.22) [0.989, 0.5377, 0.6016]\n", + " PeriodicSite: Li (18.5, 16.32, 5.876) [0.9109, 0.8035, 0.2893]\n", + " PeriodicSite: Li (4.33, 18.46, 13.54) [0.2132, 0.909, 0.6665]\n", + " PeriodicSite: Li (17.48, 10.12, 3.017) [0.8604, 0.4982, 0.1485]\n", + " PeriodicSite: Li (12.82, 7.563, 10.08) [0.631, 0.3723, 0.4962]\n", + " PeriodicSite: Li (12.82, 17.94, 0.01082) [0.6312, 0.8834, 0.0005377]\n", + " PeriodicSite: Li (14.47, 17.75, 10.26) [0.7122, 0.8738, 0.5049]\n", + " PeriodicSite: Li (3.327, 3.786, 0.05038) [0.1638, 0.1864, 0.002482]\n", + " PeriodicSite: Li (3.562, 9.61, 14.02) [0.1754, 0.4731, 0.69]\n", + " PeriodicSite: Li (2.208, 20.23, 2.609) [0.1087, 0.9961, 0.1284]\n", + " PeriodicSite: Li (0.6146, 15.81, 12.85) [0.03026, 0.7785, 0.6325]\n", + " PeriodicSite: Li (13.57, 10.21, 3.401) [0.6681, 0.5024, 0.1674]\n", + " PeriodicSite: Li (15.06, 7.528, 12.06) [0.7415, 0.3706, 0.5937]\n", + " PeriodicSite: Li (15.12, 18.23, 3.218) [0.7444, 0.8973, 0.1584]\n", + " PeriodicSite: Li (18.43, 4.79, 13.44) [0.9071, 0.2358, 0.6615]\n", + " PeriodicSite: Li (9.39, 4.04, 3.556) [0.4623, 0.1989, 0.1751]\n", + " PeriodicSite: Li (9.674, 1.643, 12.39) [0.4763, 0.08089, 0.6102]\n", + " PeriodicSite: Li (6.172, 12.23, 4.53) [0.3039, 0.602, 0.223]\n", + " PeriodicSite: Li (6.35, 12.34, 15.41) [0.3126, 0.6076, 0.7585]\n", + " PeriodicSite: Li (19.08, 2.696, 4.784) [0.9396, 0.1327, 0.2355]\n", + " PeriodicSite: Li (12.72, 4.544, 9.601) [0.6264, 0.2237, 0.4727]\n", + " PeriodicSite: Li (18.79, 12.47, 0.399) [0.9249, 0.614, 0.01965]\n", + " PeriodicSite: Li (17.55, 10.61, 14.24) [0.8639, 0.5221, 0.7009]\n", + " PeriodicSite: Li (5.536, 18.42, 6.074) [0.2726, 0.9066, 0.299]\n", + " PeriodicSite: Li (8.387, 3.52, 15.27) [0.4129, 0.1733, 0.7515]\n", + " PeriodicSite: Li (7.147, 13.05, 20.19) [0.3519, 0.6425, 0.9941]\n", + " PeriodicSite: Li (9.837, 12.8, 12.97) [0.4843, 0.6304, 0.6386]\n", + " PeriodicSite: Li (13.34, 20.19, 3.29) [0.6566, 0.9939, 0.162]\n", + " PeriodicSite: Li (18.75, 1.802, 10.76) [0.9229, 0.08871, 0.5296]\n", + " PeriodicSite: Li (17.28, 15.05, 1.599) [0.8506, 0.7407, 0.07871]\n", + " PeriodicSite: Li (16.82, 14.66, 11.73) [0.8279, 0.7218, 0.5774]\n", + " PeriodicSite: Li (8.374, 4.886, 6.878) [0.4123, 0.2405, 0.3386]\n", + " PeriodicSite: Li (7.104, 0.08475, 13.54) [0.3497, 0.00417, 0.6667]\n", + " PeriodicSite: Li (10.06, 12.31, 2.135) [0.4955, 0.6059, 0.1051]\n", + " PeriodicSite: Li (5.701, 13.3, 12.02) [0.2807, 0.6549, 0.5917]\n", + " PeriodicSite: Li (19.93, 2.492, 1.723) [0.981, 0.1227, 0.08481]\n", + " PeriodicSite: Li (0.9526, 7.279, 11.65) [0.0469, 0.3584, 0.5736]\n", + " PeriodicSite: Li (15.56, 12.84, 0.6651) [0.7661, 0.6323, 0.03275]\n", + " PeriodicSite: Li (15.54, 11.56, 13.26) [0.7651, 0.5692, 0.6526]\n", + " PeriodicSite: Li (2.512, 0.8105, 5.821) [0.1237, 0.0399, 0.2866]\n", + " PeriodicSite: Li (5.842, 2.334, 14.54) [0.2876, 0.1149, 0.7159]\n", + " PeriodicSite: Li (5.477, 12.78, 1.522) [0.2697, 0.6291, 0.07494]\n", + " PeriodicSite: Li (8.447, 7.044, 15.29) [0.4159, 0.3468, 0.7528]\n", + " PeriodicSite: Li (17.7, 4.974, 3.132) [0.8715, 0.2448, 0.1542]\n", + " PeriodicSite: Li (17.02, 0.03875, 13.13) [0.8381, 0.001901, 0.6464]\n", + " PeriodicSite: Li (14.19, 14.66, 18.52) [0.6985, 0.7216, 0.912]\n", + " PeriodicSite: Li (17.96, 11.46, 10.27) [0.884, 0.5644, 0.5054]\n", + " PeriodicSite: Li (6.652, 3.511, 0.2491) [0.3275, 0.1729, 0.01227]\n", + " PeriodicSite: Li (4.551, 3.314, 11.73) [0.2241, 0.1631, 0.5776]\n", + " PeriodicSite: Li (8.324, 10.4, 1.753) [0.4098, 0.5121, 0.0863]\n", + " PeriodicSite: Li (7.945, 10.64, 10.71) [0.3911, 0.5241, 0.5274]\n", + " PeriodicSite: Li (15.98, 2.301, 4.26) [0.7869, 0.1133, 0.2097]\n", + " PeriodicSite: Li (16.42, 3.802, 10.89) [0.8083, 0.1872, 0.5363]\n", + " PeriodicSite: Li (1.985, 11.68, 19.84) [0.09772, 0.5749, 0.9768]\n", + " PeriodicSite: Li (18.23, 13.72, 14.16) [0.8974, 0.6756, 0.6972]\n", + " PeriodicSite: Li (8.016, 0.06953, 0.9244) [0.3946, 0.00342, 0.04551]\n", + " PeriodicSite: Li (7.678, 1.874, 10.26) [0.378, 0.09224, 0.5053]\n", + " PeriodicSite: Li (8.681, 13.33, 4.704) [0.4274, 0.6563, 0.2316]\n", + " PeriodicSite: Li (3.899, 15.93, 12.03) [0.1919, 0.7842, 0.5923]\n", + " PeriodicSite: Li (16.96, 3.064, 0.3684) [0.8349, 0.1508, 0.01814]\n", + " PeriodicSite: Li (1.439, 7.197, 15.18) [0.07083, 0.3543, 0.7471]\n", + " PeriodicSite: Li (5.012, 13.14, 8.277) [0.2467, 0.6469, 0.4075]\n", + " PeriodicSite: Li (14.91, 13.11, 9.41) [0.7341, 0.6454, 0.4633]\n", + " PeriodicSite: Li (14.99, 11.85, 6.688) [0.7382, 0.5834, 0.3293]\n", + " PeriodicSite: Li (5.518, 8.015, 16.53) [0.2717, 0.3946, 0.8137]\n", + " PeriodicSite: Li (6.786, 16.99, 10.53) [0.3341, 0.8362, 0.5185]\n", + " PeriodicSite: Li (4.645, 17.22, 0.3711) [0.2287, 0.8478, 0.01827]\n", + " PeriodicSite: Li (17.15, 9.879, 6.194) [0.8445, 0.4864, 0.3049]\n", + " PeriodicSite: Li (1.094, 5.085, 17.91) [0.05388, 0.2503, 0.8817]\n", + " PeriodicSite: Li (17.11, 19.12, 5.628) [0.8424, 0.9413, 0.2771]\n", + " PeriodicSite: Li (19.95, 18.8, 18.47) [0.9822, 0.9255, 0.9093]\n", + " PeriodicSite: Li (6.921, 9.785, 7.176) [0.3407, 0.4817, 0.3533]\n", + " PeriodicSite: Li (7.489, 5.504, 17.82) [0.3687, 0.271, 0.8771]\n", + " PeriodicSite: Li (7.637, 19.99, 8.25) [0.376, 0.9844, 0.4062]\n", + " PeriodicSite: Li (8.156, 16.53, 15.47) [0.4015, 0.8138, 0.7614]\n", + " PeriodicSite: Li (19.37, 7.801, 9.3) [0.9536, 0.3841, 0.4579]\n", + " PeriodicSite: Li (16.87, 6.63, 20.1) [0.8304, 0.3264, 0.9894]\n", + " PeriodicSite: Li (18.05, 20.08, 8.335) [0.8885, 0.9886, 0.4104]\n", + " PeriodicSite: Li (18.26, 17.31, 15.55) [0.8989, 0.8523, 0.7655]\n", + " PeriodicSite: Li (6.673, 6.699, 9.428) [0.3285, 0.3298, 0.4642]\n", + " PeriodicSite: Li (4.065, 4.79, 18.0) [0.2001, 0.2358, 0.8861]\n", + " PeriodicSite: Li (9.663, 18.16, 9.514) [0.4757, 0.8942, 0.4684]\n", + " PeriodicSite: Li (13.63, 11.83, 15.89) [0.671, 0.5823, 0.7823]\n", + " PeriodicSite: Li (19.28, 7.659, 5.919) [0.9493, 0.377, 0.2914]\n", + " PeriodicSite: Li (17.8, 5.015, 17.41) [0.8762, 0.2469, 0.857]\n", + " PeriodicSite: Li (16.94, 17.53, 9.86) [0.834, 0.8631, 0.4854]\n", + " PeriodicSite: Li (17.2, 14.7, 18.71) [0.8466, 0.7238, 0.9211]\n", + " PeriodicSite: Li (9.732, 8.565, 8.219) [0.4791, 0.4217, 0.4047]\n", + " PeriodicSite: Li (6.117, 6.446, 1.981) [0.3012, 0.3173, 0.09754]\n", + " PeriodicSite: Li (5.04, 16.92, 8.527) [0.2481, 0.833, 0.4198]\n", + " PeriodicSite: Li (7.193, 15.19, 2.318) [0.3541, 0.7478, 0.1141]\n", + " PeriodicSite: Li (15.13, 7.332, 8.285) [0.7448, 0.361, 0.4079]\n", + " PeriodicSite: Li (19.47, 10.28, 18.02) [0.9584, 0.5059, 0.8871]\n", + " PeriodicSite: Li (14.9, 18.58, 7.118) [0.7335, 0.9149, 0.3504]\n", + " PeriodicSite: Li (14.76, 17.6, 14.56) [0.7266, 0.8665, 0.717]\n", + " PeriodicSite: Li (7.052, 4.607, 12.06) [0.3472, 0.2268, 0.5936]\n", + " PeriodicSite: Li (6.029, 7.423, 19.58) [0.2968, 0.3654, 0.9641]\n", + " PeriodicSite: Li (8.245, 17.62, 5.706) [0.4059, 0.8673, 0.2809]\n", + " PeriodicSite: Li (10.92, 19.29, 1.993) [0.5378, 0.9498, 0.0981]\n", + " PeriodicSite: Li (15.23, 8.197, 5.387) [0.7498, 0.4035, 0.2652]\n", + " PeriodicSite: Li (13.69, 6.625, 19.33) [0.6738, 0.3261, 0.9514]\n", + " PeriodicSite: Li (20.06, 18.1, 8.035) [0.9874, 0.8912, 0.3956]\n", + " PeriodicSite: Li (18.17, 0.1507, 2.159) [0.8946, 0.007412, 0.1063]\n", + " PeriodicSite: Li (2.862, 9.777, 3.68) [0.1409, 0.4813, 0.1812]\n", + " PeriodicSite: Li (10.03, 8.512, 18.38) [0.4936, 0.4191, 0.905]\n", + " PeriodicSite: Li (7.273, 15.15, 8.552) [0.3581, 0.7458, 0.421]\n", + " PeriodicSite: Li (7.065, 20.0, 17.06) [0.3478, 0.9847, 0.8397]\n", + " PeriodicSite: Li (18.29, 5.361, 6.773) [0.9005, 0.2639, 0.3334]\n", + " PeriodicSite: Li (16.06, 11.08, 17.08) [0.7904, 0.5453, 0.841]\n", + " PeriodicSite: Li (3.511, 15.38, 1.81) [0.1728, 0.7572, 0.08909]\n", + " PeriodicSite: Li (15.04, 2.003, 14.5) [0.7402, 0.09861, 0.7138]\n", + " PeriodicSite: Cl (7.704, 11.97, 12.74) [0.3793, 0.5893, 0.6272]\n", + " PeriodicSite: Cl (2.846, 12.48, 17.72) [0.1401, 0.6142, 0.8724]\n", + " PeriodicSite: Cl (13.08, 17.7, 12.8) [0.6441, 0.8714, 0.6304]\n", + " PeriodicSite: Cl (17.35, 7.304, 17.52) [0.8543, 0.3596, 0.8626]\n", + " PeriodicSite: Cl (7.467, 2.012, 2.272) [0.3676, 0.09904, 0.1118]\n", + " PeriodicSite: Cl (7.806, 7.613, 7.562) [0.3843, 0.3748, 0.3723]\n", + " PeriodicSite: Cl (12.8, 13.4, 7.604) [0.63, 0.6599, 0.3744]\n", + " PeriodicSite: Cl (2.564, 7.637, 2.408) [0.1262, 0.376, 0.1185]\n", + " PeriodicSite: Cl (2.677, 7.705, 13.0) [0.1318, 0.3793, 0.6402]\n", + " PeriodicSite: Cl (12.39, 12.61, 17.93) [0.6097, 0.621, 0.8825]\n", + " PeriodicSite: Cl (17.68, 18.01, 17.67) [0.8705, 0.8867, 0.87]\n", + " PeriodicSite: Cl (3.086, 2.605, 7.364) [0.1519, 0.1282, 0.3625]\n", + " PeriodicSite: Cl (12.55, 2.272, 18.1) [0.6181, 0.1118, 0.891]\n", + " PeriodicSite: Cl (12.73, 7.719, 2.684) [0.6266, 0.38, 0.1321]\n", + " PeriodicSite: Cl (17.69, 2.659, 12.71) [0.871, 0.1309, 0.6259]\n", + " PeriodicSite: Cl (7.752, 17.65, 17.63) [0.3816, 0.8687, 0.8679]\n", + " PeriodicSite: Cl (0.2381, 0.04055, 20.29) [0.01173, 0.001998, 0.9991]\n", + " PeriodicSite: Cl (19.92, 20.18, 9.837) [0.9808, 0.9934, 0.4843]\n", + " PeriodicSite: Cl (0.03574, 10.6, 20.19) [0.00176, 0.5217, 0.994]\n", + " PeriodicSite: Cl (20.09, 10.41, 9.904) [0.9891, 0.5125, 0.4876]\n", + " PeriodicSite: Cl (10.35, 19.95, 20.12) [0.5095, 0.9821, 0.9904]\n", + " PeriodicSite: Cl (9.396, 0.3901, 10.32) [0.4626, 0.0192, 0.5082]\n", + " PeriodicSite: Cl (10.25, 10.4, 20.2) [0.5047, 0.5119, 0.9943]\n", + " PeriodicSite: Cl (10.26, 9.905, 10.18) [0.5051, 0.4876, 0.5014]\n", + " PeriodicSite: Cl (20.17, 5.392, 5.474) [0.9931, 0.2654, 0.2695]\n", + " PeriodicSite: Cl (20.21, 4.789, 15.37) [0.9948, 0.2358, 0.7568]\n", + " PeriodicSite: Cl (0.2939, 15.15, 4.925) [0.01446, 0.7461, 0.2425]\n", + " PeriodicSite: Cl (19.95, 15.27, 15.0) [0.9822, 0.752, 0.7387]\n", + " PeriodicSite: Cl (10.29, 5.162, 5.542) [0.5066, 0.2541, 0.2728]\n", + " PeriodicSite: Cl (10.11, 4.901, 15.27) [0.4976, 0.2413, 0.7518]\n", + " PeriodicSite: Cl (9.8, 15.3, 5.006) [0.4825, 0.7534, 0.2465]\n", + " PeriodicSite: Cl (10.04, 15.5, 14.72) [0.4943, 0.763, 0.7249]\n", + " PeriodicSite: S (4.468, 20.3, 4.762) [0.22, 0.9995, 0.2344]\n", + " PeriodicSite: S (5.127, 20.25, 15.11) [0.2524, 0.9972, 0.744]\n", + " PeriodicSite: S (4.956, 10.02, 5.395) [0.244, 0.4931, 0.2656]\n", + " PeriodicSite: S (5.156, 10.36, 15.45) [0.2538, 0.5103, 0.7604]\n", + " PeriodicSite: S (14.71, 20.08, 5.005) [0.7244, 0.9886, 0.2464]\n", + " PeriodicSite: S (15.3, 20.01, 14.93) [0.7533, 0.985, 0.7352]\n", + " PeriodicSite: S (15.51, 10.43, 4.781) [0.7636, 0.5132, 0.2354]\n", + " PeriodicSite: S (15.59, 9.788, 15.16) [0.7677, 0.4819, 0.7462]\n", + " PeriodicSite: S (5.127, 5.407, 0.1277) [0.2524, 0.2662, 0.006287]\n", + " PeriodicSite: S (4.993, 5.073, 10.38) [0.2458, 0.2497, 0.5109]\n", + " PeriodicSite: S (5.492, 15.2, 0.2775) [0.2704, 0.7481, 0.01366]\n", + " PeriodicSite: S (5.101, 14.98, 10.19) [0.2511, 0.7374, 0.5015]\n", + " PeriodicSite: S (15.17, 4.962, 0.02802) [0.7467, 0.2443, 0.001384]\n", + " PeriodicSite: S (15.0, 5.509, 10.18) [0.7386, 0.2712, 0.5012]\n", + " PeriodicSite: S (15.5, 15.09, 0.1849) [0.763, 0.7428, 0.009109]\n", + " PeriodicSite: S (15.4, 15.62, 9.848) [0.7581, 0.769, 0.4849]\n", + " PeriodicSite: S (8.522, 3.772, 8.912) [0.4195, 0.1857, 0.4387]\n", + " PeriodicSite: S (8.957, 4.024, 19.38) [0.441, 0.1981, 0.9543]\n", + " PeriodicSite: S (9.288, 14.02, 9.734) [0.4572, 0.6901, 0.4792]\n", + " PeriodicSite: S (8.986, 14.1, 18.85) [0.4424, 0.6941, 0.9281]\n", + " PeriodicSite: S (18.76, 4.021, 8.678) [0.9238, 0.198, 0.4273]\n", + " PeriodicSite: S (19.16, 4.111, 19.39) [0.9434, 0.2024, 0.9548]\n", + " PeriodicSite: S (19.19, 13.91, 8.509) [0.9446, 0.6846, 0.4189]\n", + " PeriodicSite: S (19.63, 13.99, 18.81) [0.9663, 0.6887, 0.9261]\n", + " PeriodicSite: S (3.86, 1.483, 1.083) [0.19, 0.07302, 0.05331]\n", + " PeriodicSite: S (3.366, 0.9393, 11.35) [0.1657, 0.04624, 0.5588]\n", + " PeriodicSite: S (3.718, 11.05, 1.153) [0.1831, 0.5442, 0.05674]\n", + " PeriodicSite: S (3.974, 11.42, 11.76) [0.1956, 0.5624, 0.5792]\n", + " PeriodicSite: S (14.13, 1.366, 1.126) [0.6955, 0.06724, 0.05542]\n", + " PeriodicSite: S (14.23, 1.809, 11.52) [0.7004, 0.08904, 0.5673]\n", + " PeriodicSite: S (14.08, 11.08, 0.962) [0.6932, 0.5456, 0.04737]\n", + " PeriodicSite: S (13.91, 11.58, 11.07) [0.6848, 0.5701, 0.5452]\n", + " PeriodicSite: S (5.859, 1.045, 8.812) [0.2885, 0.05144, 0.4338]\n", + " PeriodicSite: S (6.583, 1.038, 19.29) [0.3241, 0.05108, 0.9496]\n", + " PeriodicSite: S (5.997, 11.12, 9.093) [0.2953, 0.5473, 0.4477]\n", + " PeriodicSite: S (6.182, 11.11, 19.16) [0.3043, 0.547, 0.9435]\n", + " PeriodicSite: S (16.53, 1.506, 8.884) [0.8137, 0.07414, 0.4374]\n", + " PeriodicSite: S (16.64, 1.17, 19.08) [0.8191, 0.05757, 0.9392]\n", + " PeriodicSite: S (16.09, 11.26, 8.492) [0.7921, 0.5544, 0.4181]\n", + " PeriodicSite: S (16.87, 11.21, 19.46) [0.8304, 0.552, 0.9581]\n", + " PeriodicSite: S (1.093, 4.254, 1.4) [0.05379, 0.2094, 0.06893]\n", + " PeriodicSite: S (0.8571, 3.567, 10.84) [0.0422, 0.1756, 0.5337]\n", + " PeriodicSite: S (1.433, 14.08, 1.138) [0.07052, 0.693, 0.05601]\n", + " PeriodicSite: S (1.026, 13.94, 10.98) [0.05052, 0.6864, 0.5407]\n", + " PeriodicSite: S (11.3, 3.758, 1.573) [0.5563, 0.185, 0.07745]\n", + " PeriodicSite: S (11.29, 3.746, 10.93) [0.5557, 0.1844, 0.5382]\n", + " PeriodicSite: S (11.3, 14.26, 1.125) [0.5565, 0.7021, 0.05539]\n", + " PeriodicSite: S (11.57, 14.41, 11.82) [0.5696, 0.7096, 0.5821]\n", + " PeriodicSite: S (2.441, 3.046, 18.06) [0.1202, 0.15, 0.889]\n", + " PeriodicSite: S (2.678, 12.51, 7.873) [0.1319, 0.616, 0.3876]\n", + " PeriodicSite: S (12.76, 2.698, 7.625) [0.6279, 0.1328, 0.3754]\n", + " PeriodicSite: S (9.065, 8.959, 3.6) [0.4463, 0.4411, 0.1772]\n", + " PeriodicSite: S (9.189, 8.845, 13.98) [0.4524, 0.4355, 0.6881]\n", + " PeriodicSite: S (9.02, 18.96, 3.702) [0.444, 0.9335, 0.1823]\n", + " PeriodicSite: S (8.998, 18.97, 14.38) [0.443, 0.9339, 0.7079]\n", + " PeriodicSite: S (19.33, 8.889, 3.707) [0.9516, 0.4376, 0.1825]\n", + " PeriodicSite: S (19.32, 8.658, 14.1) [0.9509, 0.4262, 0.6942]\n", + " PeriodicSite: S (19.17, 18.72, 4.124) [0.9439, 0.9215, 0.203]\n", + " PeriodicSite: S (19.43, 19.16, 14.12) [0.9566, 0.9433, 0.695]\n", + " PeriodicSite: S (4.163, 5.892, 6.725) [0.2049, 0.2901, 0.3311]\n", + " PeriodicSite: S (3.615, 6.344, 16.24) [0.178, 0.3123, 0.7997]\n", + " PeriodicSite: S (3.724, 15.95, 6.58) [0.1833, 0.7854, 0.324]\n", + " PeriodicSite: S (3.774, 16.2, 16.67) [0.1858, 0.7975, 0.8204]\n", + " PeriodicSite: S (13.99, 6.129, 6.545) [0.6889, 0.3017, 0.3222]\n", + " PeriodicSite: S (13.9, 6.549, 16.39) [0.6844, 0.3224, 0.8067]\n", + " PeriodicSite: S (14.03, 16.42, 6.154) [0.6907, 0.8083, 0.303]\n", + " PeriodicSite: S (14.24, 16.16, 16.47) [0.7011, 0.7956, 0.811]\n", + " PeriodicSite: S (6.189, 6.584, 4.266) [0.3047, 0.3241, 0.21]\n", + " PeriodicSite: S (6.13, 6.233, 14.01) [0.3018, 0.3069, 0.6896]\n", + " PeriodicSite: S (5.942, 16.52, 4.191) [0.2925, 0.8132, 0.2063]\n", + " PeriodicSite: S (5.81, 16.75, 14.11) [0.286, 0.8244, 0.6948]\n", + " PeriodicSite: S (16.46, 6.498, 4.226) [0.8102, 0.3199, 0.208]\n", + " PeriodicSite: S (16.14, 6.188, 13.77) [0.7948, 0.3046, 0.6781]\n", + " PeriodicSite: S (16.64, 16.51, 3.923) [0.819, 0.8127, 0.1932]\n", + " PeriodicSite: S (16.45, 15.83, 14.05) [0.81, 0.7792, 0.6916]\n", + " PeriodicSite: S (1.262, 9.131, 6.066) [0.06213, 0.4495, 0.2986]\n", + " PeriodicSite: S (0.964, 8.844, 16.7) [0.04746, 0.4354, 0.8224]\n", + " PeriodicSite: S (1.246, 19.43, 6.52) [0.06136, 0.9564, 0.321]\n", + " PeriodicSite: S (1.462, 19.67, 16.76) [0.07199, 0.9681, 0.825]\n", + " PeriodicSite: S (11.15, 9.088, 6.227) [0.549, 0.4474, 0.3066]\n", + " PeriodicSite: S (11.49, 9.07, 16.53) [0.5655, 0.4465, 0.8137]\n", + " PeriodicSite: S (10.95, 18.94, 6.518) [0.539, 0.9323, 0.3209]\n", + " PeriodicSite: S (11.48, 19.02, 16.53) [0.5649, 0.9363, 0.8139]\n", + " PeriodicSite: S (2.627, 17.75, 2.425) [0.1293, 0.8737, 0.1194]\n", + " PeriodicSite: S (2.383, 17.55, 12.77) [0.1173, 0.8641, 0.6288]\n", + " PeriodicSite: S (12.66, 7.832, 12.65) [0.6233, 0.3856, 0.6228]\n", + " PeriodicSite: S (12.74, 17.73, 2.519) [0.6271, 0.8728, 0.124]\n", + " PeriodicSite: S (4.161, 4.172, 3.752) [0.2049, 0.2054, 0.1847]\n", + " PeriodicSite: S (3.809, 3.827, 13.99) [0.1875, 0.1884, 0.6888]\n", + " PeriodicSite: S (4.117, 13.8, 4.085) [0.2027, 0.6792, 0.2011]\n", + " PeriodicSite: S (4.125, 14.0, 14.08) [0.2031, 0.689, 0.693]\n", + " PeriodicSite: S (14.16, 4.339, 3.872) [0.6973, 0.2136, 0.1906]\n", + " PeriodicSite: S (13.69, 3.979, 13.95) [0.674, 0.1959, 0.6866]\n", + " PeriodicSite: S (14.14, 14.16, 3.88) [0.6961, 0.697, 0.191]\n", + " PeriodicSite: S (13.84, 13.63, 14.1) [0.6814, 0.6709, 0.6942]\n", + " PeriodicSite: S (8.612, 0.9599, 6.293) [0.424, 0.04726, 0.3098]\n", + " PeriodicSite: S (8.989, 1.21, 16.65) [0.4425, 0.05955, 0.8198]\n", + " PeriodicSite: S (8.695, 11.26, 6.182) [0.428, 0.5545, 0.3044]\n", + " PeriodicSite: S (9.13, 11.47, 16.15) [0.4495, 0.5646, 0.7951]\n", + " PeriodicSite: S (18.83, 0.9561, 6.284) [0.9269, 0.04706, 0.3094]\n", + " PeriodicSite: S (18.88, 0.9005, 16.91) [0.9294, 0.04433, 0.8326]\n", + " PeriodicSite: S (19.22, 11.53, 5.88) [0.9462, 0.5675, 0.2895]\n", + " PeriodicSite: S (19.37, 11.54, 16.14) [0.9538, 0.5683, 0.7947]\n", + " PeriodicSite: S (0.8142, 1.249, 3.953) [0.04009, 0.06151, 0.1946]\n", + " PeriodicSite: S (0.8704, 1.507, 14.25) [0.04285, 0.07419, 0.7015]\n", + " PeriodicSite: S (1.356, 11.72, 3.958) [0.06676, 0.5772, 0.1949]\n", + " PeriodicSite: S (1.448, 10.93, 13.96) [0.07127, 0.538, 0.6871]\n", + " PeriodicSite: S (11.24, 0.9118, 4.057) [0.5534, 0.04489, 0.1997]\n", + " PeriodicSite: S (11.15, 1.263, 14.32) [0.5487, 0.0622, 0.705]\n", + " PeriodicSite: S (11.28, 11.47, 3.871) [0.5551, 0.5646, 0.1906]\n", + " PeriodicSite: S (11.52, 11.31, 14.08) [0.5673, 0.5569, 0.6934]\n", + " PeriodicSite: S (6.644, 3.488, 5.845) [0.3271, 0.1717, 0.2878]\n", + " PeriodicSite: S (6.144, 3.83, 16.66) [0.3025, 0.1886, 0.8201]\n", + " PeriodicSite: S (6.463, 13.89, 6.301) [0.3182, 0.6837, 0.3102]\n", + " PeriodicSite: S (6.408, 14.33, 16.48) [0.3155, 0.7053, 0.8114]\n", + " PeriodicSite: S (16.28, 3.706, 6.288) [0.8016, 0.1824, 0.3096]\n", + " PeriodicSite: S (16.11, 3.822, 16.16) [0.793, 0.1882, 0.7957]\n", + " PeriodicSite: S (16.47, 14.09, 6.208) [0.811, 0.6937, 0.3056]\n", + " PeriodicSite: S (16.13, 13.49, 16.53) [0.7939, 0.6643, 0.8137]\n", + " PeriodicSite: S (7.564, 2.481, 12.81) [0.3724, 0.1221, 0.6309]\n", + " PeriodicSite: S (7.574, 12.77, 2.529) [0.3729, 0.6289, 0.1245]\n", + " PeriodicSite: S (17.67, 2.54, 2.708) [0.87, 0.125, 0.1333]\n", + " PeriodicSite: S (17.64, 12.81, 2.213) [0.8686, 0.6306, 0.1089]\n", + " PeriodicSite: S (17.65, 12.17, 12.5) [0.8691, 0.5989, 0.6154]\n", + " PeriodicSite: S (3.364, 9.182, 9.471) [0.1656, 0.452, 0.4662]\n", + " PeriodicSite: S (4.074, 8.744, 19.27) [0.2006, 0.4305, 0.9485]\n", + " PeriodicSite: S (3.688, 18.93, 9.057) [0.1816, 0.9321, 0.4459]\n", + " PeriodicSite: S (4.076, 19.47, 18.95) [0.2007, 0.9586, 0.9329]\n", + " PeriodicSite: S (13.71, 9.087, 8.494) [0.6752, 0.4474, 0.4182]\n", + " PeriodicSite: S (14.26, 9.105, 18.9) [0.702, 0.4483, 0.9304]\n", + " PeriodicSite: S (13.59, 19.79, 9.092) [0.6692, 0.9743, 0.4476]\n", + " PeriodicSite: S (14.23, 19.11, 19.08) [0.7008, 0.941, 0.9392]\n", + " PeriodicSite: S (8.979, 5.707, 2.188) [0.4421, 0.2809, 0.1077]\n", + " PeriodicSite: S (8.612, 6.19, 11.18) [0.424, 0.3047, 0.5504]\n", + " PeriodicSite: S (8.923, 16.39, 0.708) [0.4393, 0.8067, 0.03486]\n", + " PeriodicSite: S (9.13, 16.84, 11.43) [0.4495, 0.8292, 0.5626]\n", + " PeriodicSite: S (18.88, 6.527, 1.582) [0.9296, 0.3213, 0.07787]\n", + " PeriodicSite: S (18.95, 6.214, 11.46) [0.9327, 0.3059, 0.5644]\n", + " PeriodicSite: S (19.27, 16.52, 0.9784) [0.9485, 0.8134, 0.04817]\n", + " PeriodicSite: S (18.96, 16.34, 11.14) [0.9333, 0.8043, 0.5484]\n", + " PeriodicSite: S (1.045, 6.484, 9.171) [0.05146, 0.3192, 0.4515]\n", + " PeriodicSite: S (0.8418, 6.917, 19.59) [0.04145, 0.3405, 0.9642]\n", + " PeriodicSite: S (1.076, 16.29, 8.867) [0.05296, 0.8018, 0.4365]\n", + " PeriodicSite: S (1.588, 16.54, 19.15) [0.07818, 0.8141, 0.9426]\n", + " PeriodicSite: S (11.05, 6.154, 8.791) [0.544, 0.303, 0.4328]\n", + " PeriodicSite: S (10.98, 6.611, 19.85) [0.5406, 0.3255, 0.9773]\n", + " PeriodicSite: S (11.61, 16.65, 9.414) [0.5718, 0.8199, 0.4635]\n", + " PeriodicSite: S (11.28, 16.47, 18.88) [0.5554, 0.8109, 0.9293]\n", + " PeriodicSite: S (6.311, 8.826, 1.349) [0.3107, 0.4345, 0.06642]\n", + " PeriodicSite: S (6.145, 8.832, 11.52) [0.3025, 0.4348, 0.5673]\n", + " PeriodicSite: S (6.14, 19.08, 1.337) [0.3023, 0.9392, 0.06583]\n", + " PeriodicSite: S (6.036, 19.13, 11.54) [0.2971, 0.9418, 0.5681]\n", + " PeriodicSite: S (16.19, 8.526, 1.365) [0.7968, 0.4197, 0.06723]\n", + " PeriodicSite: S (16.44, 9.112, 10.84) [0.8091, 0.4486, 0.5335]\n", + " PeriodicSite: S (16.51, 19.26, 1.147) [0.8129, 0.9484, 0.05647]\n", + " PeriodicSite: S (16.18, 19.5, 11.05) [0.7964, 0.9599, 0.544]\n", + " PeriodicSite: S (7.713, 7.628, 17.5) [0.3797, 0.3755, 0.8617]\n", + " PeriodicSite: S (7.062, 17.76, 7.798) [0.3477, 0.8744, 0.3839]\n", + " PeriodicSite: S (17.61, 7.494, 7.619) [0.867, 0.3689, 0.3751]\n", + " PeriodicSite: S (17.56, 17.8, 7.66) [0.8643, 0.8765, 0.3771]\n", + " PeriodicSite: P (5.245, 20.31, 0.03819) [0.2582, 0.9997, 0.001883]\n", + " PeriodicSite: P (4.824, 20.09, 10.26) [0.2375, 0.9891, 0.5052]\n", + " PeriodicSite: P (5.216, 9.997, 0.1188) [0.2568, 0.4921, 0.00585]\n", + " PeriodicSite: P (4.916, 10.07, 10.48) [0.242, 0.4958, 0.5159]\n", + " PeriodicSite: P (15.36, 0.1158, 0.002055) [0.756, 0.005692, 0.0001054]\n", + " PeriodicSite: P (15.08, 0.5595, 10.12) [0.7426, 0.02754, 0.4985]\n", + " PeriodicSite: P (15.45, 9.936, 0.05423) [0.7606, 0.4891, 0.002675]\n", + " PeriodicSite: P (14.96, 10.17, 9.846) [0.7366, 0.5007, 0.4847]\n", + " PeriodicSite: P (5.278, 5.011, 5.093) [0.2598, 0.2467, 0.2507]\n", + " PeriodicSite: P (4.907, 5.169, 15.19) [0.2416, 0.2545, 0.7476]\n", + " PeriodicSite: P (5.145, 15.03, 5.353) [0.2533, 0.7398, 0.2635]\n", + " PeriodicSite: P (5.108, 15.36, 15.33) [0.2514, 0.7563, 0.7547]\n", + " PeriodicSite: P (15.25, 5.153, 5.303) [0.7509, 0.2537, 0.2611]\n", + " PeriodicSite: P (14.91, 5.184, 15.19) [0.7338, 0.2552, 0.748]\n", + " PeriodicSite: P (15.33, 15.4, 5.012) [0.7547, 0.7582, 0.2467]\n", + " PeriodicSite: P (15.11, 14.78, 15.22) [0.744, 0.7274, 0.7492]\n", + " PeriodicSite: P (20.13, 20.18, 5.185) [0.991, 0.9933, 0.2553]\n", + " PeriodicSite: P (20.19, 0.1767, 15.51) [0.9942, 0.008691, 0.7637]\n", + " PeriodicSite: P (0.176, 10.27, 4.813) [0.008661, 0.5055, 0.2369]\n", + " PeriodicSite: P (0.1828, 9.945, 15.23) [0.008997, 0.4896, 0.7499]\n", + " PeriodicSite: P (10.04, 20.14, 5.226) [0.4942, 0.9914, 0.2573]\n", + " PeriodicSite: P (10.14, 20.21, 15.59) [0.4993, 0.9949, 0.7675]\n", + " PeriodicSite: P (9.994, 10.27, 4.98) [0.492, 0.5055, 0.2452]\n", + " PeriodicSite: P (10.28, 10.17, 15.18) [0.5061, 0.5005, 0.7472]\n", + " PeriodicSite: P (20.22, 5.432, 0.2379) [0.9954, 0.2674, 0.01172]\n", + " PeriodicSite: P (20.01, 5.087, 9.989) [0.985, 0.2504, 0.4918]\n", + " PeriodicSite: P (0.3383, 15.27, 20.18) [0.01665, 0.7518, 0.9936]\n", + " PeriodicSite: P (20.1, 15.12, 9.856) [0.9897, 0.7445, 0.4852]\n", + " PeriodicSite: P (10.01, 5.022, 0.4863) [0.4926, 0.2472, 0.02394]\n", + " PeriodicSite: P (9.892, 4.918, 10.05) [0.487, 0.2421, 0.4946]\n", + " PeriodicSite: P (10.17, 15.25, 20.05) [0.5008, 0.7507, 0.9873]\n", + " PeriodicSite: P (10.39, 15.55, 10.57) [0.5113, 0.7654, 0.5203],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.8936, 5.762, 3.185) [0.04399, 0.2837, 0.1568]\n", + " PeriodicSite: Li (1.778, 3.005, 15.64) [0.08754, 0.1479, 0.7702]\n", + " PeriodicSite: Li (0.1873, 11.95, 8.147) [0.009219, 0.5884, 0.4011]\n", + " PeriodicSite: Li (0.3302, 13.27, 17.47) [0.01626, 0.6535, 0.8602]\n", + " PeriodicSite: Li (15.35, 1.786, 6.523) [0.7559, 0.0879, 0.3211]\n", + " PeriodicSite: Li (11.71, 3.261, 16.05) [0.5763, 0.1606, 0.7899]\n", + " PeriodicSite: Li (17.59, 12.65, 4.826) [0.8658, 0.6229, 0.2376]\n", + " PeriodicSite: Li (17.43, 8.229, 15.1) [0.8583, 0.4051, 0.7432]\n", + " PeriodicSite: Li (5.647, 4.034, 8.513) [0.278, 0.1986, 0.4191]\n", + " PeriodicSite: Li (2.34, 0.6712, 19.32) [0.1152, 0.03304, 0.9511]\n", + " PeriodicSite: Li (3.956, 7.816, 5.549) [0.1948, 0.3848, 0.2732]\n", + " PeriodicSite: Li (6.989, 10.04, 17.22) [0.3441, 0.4941, 0.8479]\n", + " PeriodicSite: Li (12.32, 4.491, 6.229) [0.6065, 0.2211, 0.3067]\n", + " PeriodicSite: Li (13.68, 3.603, 0.7042) [0.6733, 0.1774, 0.03467]\n", + " PeriodicSite: Li (12.61, 9.96, 11.57) [0.6207, 0.4903, 0.5697]\n", + " PeriodicSite: Li (9.721, 18.5, 18.57) [0.4786, 0.9108, 0.9144]\n", + " PeriodicSite: Li (5.294, 1.508, 6.722) [0.2606, 0.07422, 0.3309]\n", + " PeriodicSite: Li (2.707, 20.15, 14.8) [0.1333, 0.992, 0.7285]\n", + " PeriodicSite: Li (3.406, 10.26, 7.621) [0.1677, 0.5053, 0.3752]\n", + " PeriodicSite: Li (6.435, 10.28, 13.47) [0.3168, 0.5062, 0.6631]\n", + " PeriodicSite: Li (12.09, 1.732, 9.866) [0.5954, 0.08524, 0.4857]\n", + " PeriodicSite: Li (10.6, 2.081, 19.15) [0.522, 0.1024, 0.9428]\n", + " PeriodicSite: Li (13.4, 15.72, 8.696) [0.6599, 0.7738, 0.4281]\n", + " PeriodicSite: Li (12.48, 11.11, 20.11) [0.6145, 0.547, 0.9899]\n", + " PeriodicSite: Li (2.264, 4.35, 6.032) [0.1115, 0.2141, 0.297]\n", + " PeriodicSite: Li (0.1728, 2.35, 18.21) [0.00851, 0.1157, 0.8966]\n", + " PeriodicSite: Li (1.432, 14.4, 6.676) [0.07047, 0.7089, 0.3287]\n", + " PeriodicSite: Li (3.439, 15.0, 18.53) [0.1693, 0.7385, 0.912]\n", + " PeriodicSite: Li (12.74, 0.531, 6.349) [0.6271, 0.02614, 0.3126]\n", + " PeriodicSite: Li (13.66, 0.02554, 16.89) [0.6724, 0.001252, 0.8316]\n", + " PeriodicSite: Li (11.25, 12.58, 9.432) [0.5537, 0.6191, 0.4644]\n", + " PeriodicSite: Li (15.52, 17.49, 18.97) [0.7638, 0.8611, 0.9337]\n", + " PeriodicSite: Li (7.158, 0.2443, 4.463) [0.3524, 0.01202, 0.2197]\n", + " PeriodicSite: Li (1.285, 18.21, 0.5374) [0.06324, 0.8967, 0.02646]\n", + " PeriodicSite: Li (2.905, 14.36, 9.366) [0.143, 0.7069, 0.4611]\n", + " PeriodicSite: Li (1.681, 17.32, 15.07) [0.08274, 0.8529, 0.7418]\n", + " PeriodicSite: Li (15.1, 3.891, 8.085) [0.7432, 0.1915, 0.398]\n", + " PeriodicSite: Li (14.75, 3.208, 18.29) [0.7259, 0.1579, 0.9006]\n", + " PeriodicSite: Li (16.41, 15.58, 7.853) [0.8076, 0.7669, 0.3866]\n", + " PeriodicSite: Li (10.5, 11.98, 18.22) [0.5171, 0.5897, 0.8969]\n", + " PeriodicSite: Li (4.908, 1.938, 3.428) [0.2416, 0.09539, 0.1688]\n", + " PeriodicSite: Li (4.451, 1.594, 17.21) [0.2191, 0.0785, 0.8472]\n", + " PeriodicSite: Li (2.839, 11.91, 5.535) [0.1397, 0.5862, 0.2725]\n", + " PeriodicSite: Li (19.85, 13.07, 3.064) [0.9774, 0.6434, 0.1509]\n", + " PeriodicSite: Li (10.0, 1.985, 7.887) [0.4924, 0.09773, 0.3883]\n", + " PeriodicSite: Li (16.91, 19.92, 16.93) [0.8327, 0.9809, 0.8335]\n", + " PeriodicSite: Li (15.45, 12.49, 3.493) [0.7607, 0.6146, 0.172]\n", + " PeriodicSite: Li (15.17, 8.513, 17.02) [0.7469, 0.4191, 0.8377]\n", + " PeriodicSite: Li (3.51, 12.04, 15.39) [0.1728, 0.5925, 0.7574]\n", + " PeriodicSite: Li (2.398, 11.57, 10.28) [0.1181, 0.5697, 0.5059]\n", + " PeriodicSite: Li (0.06981, 16.97, 3.329) [0.00343, 0.8353, 0.1639]\n", + " PeriodicSite: Li (1.795, 1.535, 9.554) [0.08836, 0.07555, 0.4703]\n", + " PeriodicSite: Li (11.63, 5.383, 3.364) [0.5727, 0.265, 0.1656]\n", + " PeriodicSite: Li (12.05, 6.671, 14.86) [0.5932, 0.3284, 0.7316]\n", + " PeriodicSite: Li (12.17, 13.64, 5.179) [0.5993, 0.6717, 0.255]\n", + " PeriodicSite: Li (13.49, 20.18, 13.35) [0.6642, 0.9934, 0.6574]\n", + " PeriodicSite: Li (3.094, 6.728, 0.6096) [0.1523, 0.3312, 0.03001]\n", + " PeriodicSite: Li (2.809, 5.03, 10.51) [0.1383, 0.2477, 0.5174]\n", + " PeriodicSite: Li (7.039, 16.17, 19.53) [0.3465, 0.7961, 0.9613]\n", + " PeriodicSite: Li (4.835, 18.17, 16.03) [0.238, 0.8946, 0.7891]\n", + " PeriodicSite: Li (14.96, 6.449, 2.294) [0.7366, 0.3175, 0.1129]\n", + " PeriodicSite: Li (10.47, 7.761, 12.66) [0.5156, 0.3821, 0.6232]\n", + " PeriodicSite: Li (13.12, 18.12, 4.801) [0.6459, 0.892, 0.2364]\n", + " PeriodicSite: Li (10.62, 17.89, 12.89) [0.5227, 0.8809, 0.6347]\n", + " PeriodicSite: Li (4.09, 11.02, 17.54) [0.2013, 0.5426, 0.8634]\n", + " PeriodicSite: Li (4.717, 6.72, 11.91) [0.2322, 0.3308, 0.5865]\n", + " PeriodicSite: Li (4.808, 18.7, 3.245) [0.2367, 0.9207, 0.1598]\n", + " PeriodicSite: Li (2.577, 17.22, 10.57) [0.1268, 0.8478, 0.5204]\n", + " PeriodicSite: Li (10.77, 8.355, 1.517) [0.5304, 0.4113, 0.07467]\n", + " PeriodicSite: Li (13.15, 5.307, 12.13) [0.6472, 0.2612, 0.5974]\n", + " PeriodicSite: Li (11.28, 16.11, 2.87) [0.5553, 0.793, 0.1413]\n", + " PeriodicSite: Li (13.75, 14.84, 12.54) [0.6767, 0.7305, 0.6174]\n", + " PeriodicSite: Li (0.09621, 8.697, 1.762) [0.004733, 0.4282, 0.08674]\n", + " PeriodicSite: Li (17.22, 6.068, 9.836) [0.8478, 0.2987, 0.4843]\n", + " PeriodicSite: Li (2.741, 17.88, 4.823) [0.1349, 0.8801, 0.2374]\n", + " PeriodicSite: Li (0.1606, 19.34, 12.73) [0.007901, 0.9521, 0.6266]\n", + " PeriodicSite: Li (9.644, 7.546, 5.412) [0.4748, 0.3715, 0.2665]\n", + " PeriodicSite: Li (13.0, 9.27, 14.73) [0.6398, 0.4564, 0.7253]\n", + " PeriodicSite: Li (13.62, 15.68, 1.151) [0.6704, 0.7719, 0.05665]\n", + " PeriodicSite: Li (11.67, 15.8, 16.59) [0.5744, 0.7777, 0.8169]\n", + " PeriodicSite: Li (6.734, 9.427, 3.848) [0.3315, 0.4641, 0.1894]\n", + " PeriodicSite: Li (20.08, 11.1, 12.49) [0.9886, 0.5467, 0.615]\n", + " PeriodicSite: Li (18.44, 17.05, 5.261) [0.9079, 0.8394, 0.259]\n", + " PeriodicSite: Li (4.323, 19.2, 12.98) [0.2128, 0.9453, 0.6392]\n", + " PeriodicSite: Li (16.93, 10.1, 2.995) [0.8333, 0.4973, 0.1474]\n", + " PeriodicSite: Li (13.01, 7.023, 9.961) [0.6405, 0.3457, 0.4904]\n", + " PeriodicSite: Li (12.59, 18.51, 20.22) [0.6199, 0.911, 0.9955]\n", + " PeriodicSite: Li (13.89, 18.04, 10.48) [0.6839, 0.8883, 0.5159]\n", + " PeriodicSite: Li (3.125, 3.66, 20.27) [0.1539, 0.1802, 0.9977]\n", + " PeriodicSite: Li (3.6, 9.69, 13.59) [0.1772, 0.4771, 0.669]\n", + " PeriodicSite: Li (2.733, 20.13, 2.897) [0.1345, 0.9911, 0.1426]\n", + " PeriodicSite: Li (0.7482, 16.02, 12.74) [0.03683, 0.7885, 0.6272]\n", + " PeriodicSite: Li (13.35, 9.915, 4.047) [0.6575, 0.4881, 0.1993]\n", + " PeriodicSite: Li (14.96, 8.125, 12.79) [0.7365, 0.4, 0.6295]\n", + " PeriodicSite: Li (14.88, 18.16, 2.81) [0.7325, 0.8941, 0.1384]\n", + " PeriodicSite: Li (19.0, 4.4, 13.35) [0.9355, 0.2166, 0.6572]\n", + " PeriodicSite: Li (9.7, 2.748, 3.323) [0.4775, 0.1353, 0.1636]\n", + " PeriodicSite: Li (9.573, 1.367, 12.72) [0.4713, 0.06732, 0.6262]\n", + " PeriodicSite: Li (6.162, 12.37, 4.574) [0.3034, 0.6089, 0.2252]\n", + " PeriodicSite: Li (6.822, 12.45, 15.12) [0.3359, 0.6128, 0.7446]\n", + " PeriodicSite: Li (19.17, 2.944, 4.674) [0.9438, 0.145, 0.2301]\n", + " PeriodicSite: Li (12.74, 4.314, 9.399) [0.6271, 0.2124, 0.4627]\n", + " PeriodicSite: Li (18.82, 11.71, 0.4115) [0.9266, 0.5767, 0.02027]\n", + " PeriodicSite: Li (17.7, 10.83, 14.2) [0.8715, 0.533, 0.6993]\n", + " PeriodicSite: Li (6.001, 17.99, 6.181) [0.2954, 0.8858, 0.3043]\n", + " PeriodicSite: Li (8.652, 2.98, 14.97) [0.426, 0.1467, 0.7367]\n", + " PeriodicSite: Li (7.065, 13.32, 20.1) [0.3478, 0.6559, 0.9894]\n", + " PeriodicSite: Li (10.17, 13.44, 14.01) [0.5008, 0.6616, 0.6896]\n", + " PeriodicSite: Li (12.86, 20.25, 2.903) [0.6332, 0.997, 0.1429]\n", + " PeriodicSite: Li (18.95, 2.387, 10.66) [0.933, 0.1175, 0.525]\n", + " PeriodicSite: Li (17.24, 14.98, 1.599) [0.849, 0.7376, 0.07871]\n", + " PeriodicSite: Li (17.05, 14.57, 11.36) [0.8393, 0.7175, 0.5592]\n", + " PeriodicSite: Li (8.238, 5.167, 6.949) [0.4055, 0.2544, 0.3421]\n", + " PeriodicSite: Li (6.967, 0.2895, 13.24) [0.343, 0.01425, 0.6518]\n", + " PeriodicSite: Li (9.881, 12.53, 1.624) [0.4864, 0.617, 0.07998]\n", + " PeriodicSite: Li (5.615, 13.23, 11.71) [0.2764, 0.6515, 0.5764]\n", + " PeriodicSite: Li (20.17, 2.007, 1.673) [0.9929, 0.09881, 0.08237]\n", + " PeriodicSite: Li (0.9648, 7.965, 11.16) [0.0475, 0.3921, 0.5494]\n", + " PeriodicSite: Li (15.74, 12.96, 20.25) [0.7751, 0.638, 0.9972]\n", + " PeriodicSite: Li (15.45, 11.86, 13.13) [0.7608, 0.5838, 0.6464]\n", + " PeriodicSite: Li (2.849, 0.3046, 5.95) [0.1403, 0.01499, 0.2929]\n", + " PeriodicSite: Li (5.805, 2.216, 14.71) [0.2858, 0.1091, 0.7242]\n", + " PeriodicSite: Li (5.118, 13.01, 1.758) [0.252, 0.6407, 0.08654]\n", + " PeriodicSite: Li (8.411, 6.842, 15.72) [0.4141, 0.3369, 0.7741]\n", + " PeriodicSite: Li (17.74, 4.917, 2.983) [0.8735, 0.2421, 0.1468]\n", + " PeriodicSite: Li (17.02, 0.07377, 13.55) [0.8379, 0.003625, 0.6669]\n", + " PeriodicSite: Li (13.6, 14.89, 18.7) [0.6693, 0.7329, 0.9208]\n", + " PeriodicSite: Li (17.89, 11.51, 10.67) [0.8809, 0.5667, 0.5254]\n", + " PeriodicSite: Li (6.593, 2.98, 0.2469) [0.3246, 0.1467, 0.01216]\n", + " PeriodicSite: Li (5.15, 2.795, 11.74) [0.2536, 0.1376, 0.5781]\n", + " PeriodicSite: Li (8.234, 10.51, 1.385) [0.4054, 0.5172, 0.06818]\n", + " PeriodicSite: Li (8.366, 10.78, 11.32) [0.4119, 0.5305, 0.5574]\n", + " PeriodicSite: Li (15.79, 1.908, 3.419) [0.7775, 0.09392, 0.1683]\n", + " PeriodicSite: Li (15.23, 3.401, 11.06) [0.7497, 0.1674, 0.5444]\n", + " PeriodicSite: Li (2.05, 12.12, 20.28) [0.1009, 0.5965, 0.9983]\n", + " PeriodicSite: Li (18.51, 13.61, 14.4) [0.911, 0.6699, 0.7088]\n", + " PeriodicSite: Li (7.445, 0.5194, 0.9649) [0.3665, 0.02557, 0.04751]\n", + " PeriodicSite: Li (7.758, 2.21, 10.62) [0.3819, 0.1088, 0.5229]\n", + " PeriodicSite: Li (8.949, 13.25, 4.314) [0.4406, 0.6524, 0.2124]\n", + " PeriodicSite: Li (4.526, 16.22, 12.57) [0.2228, 0.7987, 0.6189]\n", + " PeriodicSite: Li (16.56, 2.905, 0.749) [0.8154, 0.143, 0.03688]\n", + " PeriodicSite: Li (2.199, 6.305, 14.66) [0.1082, 0.3104, 0.7218]\n", + " PeriodicSite: Li (4.961, 13.32, 8.362) [0.2442, 0.6558, 0.4117]\n", + " PeriodicSite: Li (14.63, 13.5, 9.517) [0.7201, 0.6648, 0.4685]\n", + " PeriodicSite: Li (14.46, 12.31, 6.077) [0.7119, 0.606, 0.2992]\n", + " PeriodicSite: Li (5.234, 8.15, 16.39) [0.2577, 0.4012, 0.8068]\n", + " PeriodicSite: Li (6.986, 17.09, 10.49) [0.3439, 0.8414, 0.5165]\n", + " PeriodicSite: Li (4.339, 17.23, 0.4022) [0.2136, 0.8482, 0.0198]\n", + " PeriodicSite: Li (17.02, 10.05, 6.477) [0.8379, 0.4949, 0.3189]\n", + " PeriodicSite: Li (0.984, 5.282, 17.45) [0.04845, 0.26, 0.8589]\n", + " PeriodicSite: Li (17.15, 19.87, 5.498) [0.8442, 0.9781, 0.2707]\n", + " PeriodicSite: Li (20.13, 17.98, 18.12) [0.9912, 0.8849, 0.8919]\n", + " PeriodicSite: Li (6.463, 9.86, 7.097) [0.3182, 0.4854, 0.3494]\n", + " PeriodicSite: Li (6.93, 5.383, 18.36) [0.3412, 0.265, 0.9038]\n", + " PeriodicSite: Li (7.871, 19.96, 8.122) [0.3875, 0.9824, 0.3999]\n", + " PeriodicSite: Li (8.192, 16.04, 16.1) [0.4033, 0.7897, 0.7927]\n", + " PeriodicSite: Li (18.64, 8.786, 9.469) [0.9177, 0.4325, 0.4662]\n", + " PeriodicSite: Li (17.14, 6.602, 20.15) [0.8438, 0.325, 0.992]\n", + " PeriodicSite: Li (18.01, 0.06417, 8.236) [0.8865, 0.003152, 0.4055]\n", + " PeriodicSite: Li (18.33, 16.71, 15.29) [0.9026, 0.8227, 0.7529]\n", + " PeriodicSite: Li (6.893, 6.872, 9.816) [0.3393, 0.3383, 0.4833]\n", + " PeriodicSite: Li (4.465, 4.157, 18.05) [0.2198, 0.2047, 0.8885]\n", + " PeriodicSite: Li (9.365, 18.13, 9.872) [0.461, 0.8925, 0.486]\n", + " PeriodicSite: Li (13.61, 11.64, 16.05) [0.6699, 0.5728, 0.79]\n", + " PeriodicSite: Li (19.32, 7.855, 5.751) [0.9511, 0.3867, 0.2832]\n", + " PeriodicSite: Li (17.88, 5.144, 17.0) [0.8801, 0.2532, 0.8368]\n", + " PeriodicSite: Li (17.25, 17.24, 9.8) [0.8491, 0.8487, 0.4825]\n", + " PeriodicSite: Li (17.26, 15.04, 18.71) [0.8499, 0.7403, 0.9209]\n", + " PeriodicSite: Li (9.953, 8.53, 8.441) [0.49, 0.4199, 0.4156]\n", + " PeriodicSite: Li (6.459, 6.112, 1.783) [0.318, 0.3009, 0.08777]\n", + " PeriodicSite: Li (5.257, 16.72, 8.387) [0.2588, 0.8229, 0.4129]\n", + " PeriodicSite: Li (7.204, 15.25, 2.334) [0.3547, 0.7508, 0.1149]\n", + " PeriodicSite: Li (15.33, 7.181, 8.316) [0.7548, 0.3535, 0.4094]\n", + " PeriodicSite: Li (19.85, 8.846, 18.51) [0.9771, 0.4355, 0.9111]\n", + " PeriodicSite: Li (15.29, 18.35, 6.984) [0.7526, 0.9035, 0.3438]\n", + " PeriodicSite: Li (14.67, 17.82, 14.79) [0.7222, 0.8773, 0.728]\n", + " PeriodicSite: Li (7.261, 4.876, 12.44) [0.3574, 0.24, 0.6126]\n", + " PeriodicSite: Li (5.507, 7.275, 19.51) [0.2711, 0.3581, 0.9603]\n", + " PeriodicSite: Li (9.432, 16.54, 6.8) [0.4644, 0.8142, 0.3348]\n", + " PeriodicSite: Li (10.24, 18.94, 1.946) [0.5043, 0.9326, 0.0958]\n", + " PeriodicSite: Li (15.25, 8.434, 6.222) [0.7509, 0.4152, 0.3063]\n", + " PeriodicSite: Li (13.48, 6.531, 19.34) [0.6638, 0.3215, 0.952]\n", + " PeriodicSite: Li (20.02, 18.1, 8.179) [0.9858, 0.8909, 0.4027]\n", + " PeriodicSite: Li (17.92, 0.2374, 2.516) [0.8824, 0.01168, 0.1239]\n", + " PeriodicSite: Li (3.46, 9.823, 3.27) [0.1703, 0.4836, 0.161]\n", + " PeriodicSite: Li (9.571, 7.456, 18.4) [0.4712, 0.3671, 0.9059]\n", + " PeriodicSite: Li (7.297, 15.09, 8.637) [0.3592, 0.7427, 0.4252]\n", + " PeriodicSite: Li (7.124, 19.94, 16.29) [0.3507, 0.9818, 0.8019]\n", + " PeriodicSite: Li (18.3, 5.547, 6.681) [0.9007, 0.2731, 0.3289]\n", + " PeriodicSite: Li (16.59, 11.17, 17.05) [0.8169, 0.5501, 0.8394]\n", + " PeriodicSite: Li (3.492, 15.64, 2.496) [0.1719, 0.7699, 0.1229]\n", + " PeriodicSite: Li (15.3, 2.087, 14.64) [0.753, 0.1027, 0.7207]\n", + " PeriodicSite: Cl (7.562, 12.35, 12.91) [0.3723, 0.6081, 0.6357]\n", + " PeriodicSite: Cl (2.778, 12.83, 17.62) [0.1368, 0.6314, 0.8674]\n", + " PeriodicSite: Cl (13.17, 17.77, 12.83) [0.6485, 0.8746, 0.6316]\n", + " PeriodicSite: Cl (17.81, 7.466, 17.73) [0.8767, 0.3675, 0.8726]\n", + " PeriodicSite: Cl (7.308, 2.114, 2.706) [0.3598, 0.1041, 0.1332]\n", + " PeriodicSite: Cl (8.01, 7.893, 7.461) [0.3944, 0.3886, 0.3673]\n", + " PeriodicSite: Cl (12.97, 13.33, 7.683) [0.6387, 0.6562, 0.3783]\n", + " PeriodicSite: Cl (2.007, 7.576, 2.748) [0.09881, 0.373, 0.1353]\n", + " PeriodicSite: Cl (2.658, 7.514, 13.01) [0.1309, 0.3699, 0.6404]\n", + " PeriodicSite: Cl (12.36, 12.81, 17.8) [0.6084, 0.6309, 0.8761]\n", + " PeriodicSite: Cl (17.85, 17.51, 17.34) [0.8789, 0.8622, 0.8536]\n", + " PeriodicSite: Cl (3.013, 2.335, 7.188) [0.1484, 0.1149, 0.3539]\n", + " PeriodicSite: Cl (12.56, 2.076, 17.81) [0.6185, 0.1022, 0.877]\n", + " PeriodicSite: Cl (12.69, 7.685, 2.671) [0.6247, 0.3783, 0.1315]\n", + " PeriodicSite: Cl (17.45, 2.551, 12.6) [0.8593, 0.1256, 0.6201]\n", + " PeriodicSite: Cl (7.736, 17.58, 17.69) [0.3809, 0.8656, 0.8707]\n", + " PeriodicSite: Cl (0.4452, 0.1792, 0.306) [0.02192, 0.008823, 0.01507]\n", + " PeriodicSite: Cl (20.18, 0.1948, 9.942) [0.9933, 0.009581, 0.4894]\n", + " PeriodicSite: Cl (0.5607, 10.45, 0.008232) [0.0276, 0.5143, 0.0004063]\n", + " PeriodicSite: Cl (20.24, 10.24, 10.21) [0.9965, 0.5042, 0.5024]\n", + " PeriodicSite: Cl (9.979, 20.2, 0.04616) [0.4913, 0.9946, 0.002277]\n", + " PeriodicSite: Cl (9.749, 0.3397, 9.702) [0.48, 0.01672, 0.4777]\n", + " PeriodicSite: Cl (10.18, 10.48, 0.273) [0.5013, 0.5159, 0.01344]\n", + " PeriodicSite: Cl (10.37, 10.21, 10.71) [0.5107, 0.5025, 0.5274]\n", + " PeriodicSite: Cl (0.006221, 4.874, 5.285) [0.0003055, 0.2399, 0.2602]\n", + " PeriodicSite: Cl (0.184, 5.296, 15.42) [0.009062, 0.2607, 0.7593]\n", + " PeriodicSite: Cl (19.95, 15.26, 4.76) [0.9821, 0.7515, 0.2344]\n", + " PeriodicSite: Cl (0.1553, 15.54, 14.8) [0.007644, 0.7652, 0.7287]\n", + " PeriodicSite: Cl (10.27, 5.151, 4.923) [0.5058, 0.2536, 0.2423]\n", + " PeriodicSite: Cl (9.844, 5.045, 15.39) [0.4846, 0.2484, 0.7575]\n", + " PeriodicSite: Cl (10.21, 15.07, 4.549) [0.5026, 0.7421, 0.2239]\n", + " PeriodicSite: Cl (10.28, 15.37, 14.95) [0.5059, 0.7566, 0.7359]\n", + " PeriodicSite: S (5.092, 20.15, 5.054) [0.2507, 0.9922, 0.2488]\n", + " PeriodicSite: S (5.082, 20.26, 15.28) [0.2502, 0.9972, 0.7522]\n", + " PeriodicSite: S (4.778, 10.06, 5.324) [0.2352, 0.4953, 0.2621]\n", + " PeriodicSite: S (5.235, 10.31, 15.51) [0.2577, 0.5078, 0.7634]\n", + " PeriodicSite: S (14.94, 0.03216, 4.916) [0.7354, 0.001577, 0.242]\n", + " PeriodicSite: S (14.94, 0.0387, 15.13) [0.7356, 0.0019, 0.7447]\n", + " PeriodicSite: S (15.33, 10.44, 4.887) [0.7549, 0.5142, 0.2406]\n", + " PeriodicSite: S (15.38, 10.05, 15.21) [0.757, 0.4949, 0.7486]\n", + " PeriodicSite: S (5.31, 5.02, 20.11) [0.2614, 0.2472, 0.9901]\n", + " PeriodicSite: S (5.231, 4.81, 10.64) [0.2575, 0.2368, 0.524]\n", + " PeriodicSite: S (4.986, 15.03, 0.3835) [0.2455, 0.7401, 0.01888]\n", + " PeriodicSite: S (5.371, 15.08, 10.21) [0.2644, 0.7424, 0.5028]\n", + " PeriodicSite: S (15.34, 4.994, 20.11) [0.755, 0.2459, 0.9898]\n", + " PeriodicSite: S (14.79, 5.41, 10.13) [0.7279, 0.2664, 0.4988]\n", + " PeriodicSite: S (15.42, 15.43, 20.14) [0.7589, 0.7598, 0.9914]\n", + " PeriodicSite: S (15.13, 15.51, 10.22) [0.745, 0.7634, 0.5034]\n", + " PeriodicSite: S (8.709, 3.694, 8.952) [0.4288, 0.1819, 0.4407]\n", + " PeriodicSite: S (8.801, 3.837, 19.64) [0.4333, 0.1889, 0.9669]\n", + " PeriodicSite: S (9.142, 14.09, 9.32) [0.4501, 0.6937, 0.4589]\n", + " PeriodicSite: S (8.872, 14.32, 19.16) [0.4368, 0.7049, 0.9432]\n", + " PeriodicSite: S (18.72, 4.128, 9.112) [0.9215, 0.2032, 0.4486]\n", + " PeriodicSite: S (19.07, 4.261, 19.32) [0.9389, 0.2098, 0.9513]\n", + " PeriodicSite: S (18.96, 13.74, 8.585) [0.9335, 0.6763, 0.4226]\n", + " PeriodicSite: S (19.33, 13.95, 19.1) [0.9518, 0.6869, 0.9405]\n", + " PeriodicSite: S (3.877, 1.31, 0.8342) [0.1909, 0.06447, 0.04107]\n", + " PeriodicSite: S (3.478, 0.6175, 11.32) [0.1712, 0.0304, 0.5575]\n", + " PeriodicSite: S (3.936, 11.09, 1.353) [0.1938, 0.5459, 0.06663]\n", + " PeriodicSite: S (4.32, 11.37, 11.79) [0.2127, 0.5596, 0.5803]\n", + " PeriodicSite: S (14.46, 1.291, 1.292) [0.7118, 0.06353, 0.06363]\n", + " PeriodicSite: S (14.03, 1.285, 11.49) [0.6906, 0.06324, 0.5656]\n", + " PeriodicSite: S (14.17, 11.4, 1.409) [0.6975, 0.5611, 0.06937]\n", + " PeriodicSite: S (13.97, 11.44, 10.74) [0.6876, 0.5634, 0.5287]\n", + " PeriodicSite: S (5.806, 1.313, 9.071) [0.2858, 0.06465, 0.4466]\n", + " PeriodicSite: S (6.604, 1.102, 19.02) [0.3251, 0.05426, 0.9366]\n", + " PeriodicSite: S (5.968, 11.23, 9.115) [0.2938, 0.5527, 0.4488]\n", + " PeriodicSite: S (6.293, 11.12, 19.41) [0.3098, 0.5474, 0.9557]\n", + " PeriodicSite: S (16.43, 1.824, 9.218) [0.8091, 0.08981, 0.4538]\n", + " PeriodicSite: S (16.7, 1.335, 19.19) [0.8221, 0.06571, 0.945]\n", + " PeriodicSite: S (16.49, 11.73, 8.502) [0.8119, 0.5773, 0.4186]\n", + " PeriodicSite: S (16.79, 10.96, 19.41) [0.8268, 0.5397, 0.9557]\n", + " PeriodicSite: S (1.217, 4.246, 1.426) [0.05993, 0.209, 0.07022]\n", + " PeriodicSite: S (0.8311, 3.632, 11.31) [0.04092, 0.1788, 0.5568]\n", + " PeriodicSite: S (1.466, 14.24, 1.135) [0.07215, 0.7011, 0.05587]\n", + " PeriodicSite: S (1.123, 13.67, 11.01) [0.05531, 0.673, 0.5419]\n", + " PeriodicSite: S (11.23, 3.741, 1.53) [0.5531, 0.1842, 0.07535]\n", + " PeriodicSite: S (11.13, 3.886, 11.36) [0.5481, 0.1913, 0.5593]\n", + " PeriodicSite: S (11.51, 14.25, 1.016) [0.5668, 0.7016, 0.05]\n", + " PeriodicSite: S (11.36, 14.42, 11.68) [0.5594, 0.7099, 0.575]\n", + " PeriodicSite: S (2.446, 2.726, 17.99) [0.1204, 0.1342, 0.8855]\n", + " PeriodicSite: S (2.509, 12.71, 7.767) [0.1235, 0.6255, 0.3824]\n", + " PeriodicSite: S (12.85, 2.535, 7.642) [0.6325, 0.1248, 0.3762]\n", + " PeriodicSite: S (9.315, 9.035, 3.58) [0.4586, 0.4448, 0.1763]\n", + " PeriodicSite: S (8.574, 8.95, 14.01) [0.4221, 0.4406, 0.6898]\n", + " PeriodicSite: S (8.519, 18.82, 3.839) [0.4194, 0.9264, 0.189]\n", + " PeriodicSite: S (8.752, 19.22, 13.96) [0.4309, 0.9464, 0.6873]\n", + " PeriodicSite: S (19.1, 9.323, 3.487) [0.9404, 0.459, 0.1717]\n", + " PeriodicSite: S (19.19, 9.152, 13.88) [0.9449, 0.4505, 0.6831]\n", + " PeriodicSite: S (19.17, 19.03, 3.927) [0.9439, 0.9369, 0.1933]\n", + " PeriodicSite: S (18.75, 19.17, 14.43) [0.9229, 0.944, 0.7104]\n", + " PeriodicSite: S (4.312, 5.68, 6.76) [0.2123, 0.2796, 0.3328]\n", + " PeriodicSite: S (3.663, 6.195, 16.42) [0.1803, 0.305, 0.8082]\n", + " PeriodicSite: S (3.727, 16.36, 6.308) [0.1835, 0.8056, 0.3105]\n", + " PeriodicSite: S (3.567, 16.2, 16.55) [0.1756, 0.7978, 0.8148]\n", + " PeriodicSite: S (14.14, 6.265, 6.477) [0.6963, 0.3084, 0.3189]\n", + " PeriodicSite: S (13.91, 6.564, 16.59) [0.6846, 0.3231, 0.8165]\n", + " PeriodicSite: S (14.26, 16.49, 6.173) [0.7022, 0.8119, 0.3039]\n", + " PeriodicSite: S (14.12, 16.06, 16.33) [0.6949, 0.7906, 0.8042]\n", + " PeriodicSite: S (6.391, 6.294, 4.013) [0.3147, 0.3098, 0.1976]\n", + " PeriodicSite: S (6.191, 6.132, 14.16) [0.3048, 0.3019, 0.6973]\n", + " PeriodicSite: S (6.422, 16.45, 4.179) [0.3161, 0.8097, 0.2057]\n", + " PeriodicSite: S (5.959, 16.87, 14.38) [0.2934, 0.8308, 0.7081]\n", + " PeriodicSite: S (16.52, 6.456, 4.077) [0.8133, 0.3178, 0.2007]\n", + " PeriodicSite: S (16.14, 6.171, 14.13) [0.7945, 0.3038, 0.6956]\n", + " PeriodicSite: S (16.5, 16.47, 3.663) [0.8121, 0.811, 0.1803]\n", + " PeriodicSite: S (16.67, 15.43, 14.1) [0.8205, 0.7597, 0.6942]\n", + " PeriodicSite: S (1.13, 9.01, 6.031) [0.05562, 0.4436, 0.2969]\n", + " PeriodicSite: S (1.103, 9.125, 16.52) [0.05432, 0.4492, 0.8131]\n", + " PeriodicSite: S (1.198, 18.96, 6.451) [0.05896, 0.9334, 0.3176]\n", + " PeriodicSite: S (1.106, 19.57, 16.66) [0.05444, 0.9637, 0.8201]\n", + " PeriodicSite: S (11.15, 9.225, 6.113) [0.549, 0.4541, 0.3009]\n", + " PeriodicSite: S (11.12, 8.835, 16.39) [0.5475, 0.435, 0.807]\n", + " PeriodicSite: S (10.99, 18.81, 6.097) [0.5409, 0.9259, 0.3002]\n", + " PeriodicSite: S (11.29, 18.99, 16.39) [0.5556, 0.9347, 0.8071]\n", + " PeriodicSite: S (2.437, 17.72, 2.57) [0.12, 0.8723, 0.1265]\n", + " PeriodicSite: S (2.552, 17.81, 12.86) [0.1256, 0.877, 0.633]\n", + " PeriodicSite: S (12.65, 7.738, 12.62) [0.6225, 0.381, 0.6211]\n", + " PeriodicSite: S (12.48, 18.11, 2.344) [0.6144, 0.8914, 0.1154]\n", + " PeriodicSite: S (3.769, 4.086, 4.06) [0.1856, 0.2012, 0.1999]\n", + " PeriodicSite: S (3.813, 3.672, 14.02) [0.1877, 0.1808, 0.6903]\n", + " PeriodicSite: S (3.962, 13.96, 4.18) [0.1951, 0.6874, 0.2058]\n", + " PeriodicSite: S (4.211, 14.01, 14.02) [0.2073, 0.6899, 0.6902]\n", + " PeriodicSite: S (13.92, 4.152, 3.908) [0.6851, 0.2044, 0.1924]\n", + " PeriodicSite: S (13.52, 3.979, 14.28) [0.6658, 0.1959, 0.7031]\n", + " PeriodicSite: S (13.97, 14.42, 3.761) [0.6875, 0.71, 0.1852]\n", + " PeriodicSite: S (14.07, 13.4, 14.4) [0.6928, 0.6595, 0.7087]\n", + " PeriodicSite: S (8.755, 0.938, 6.106) [0.431, 0.04617, 0.3006]\n", + " PeriodicSite: S (9.144, 1.264, 16.52) [0.4502, 0.06221, 0.8135]\n", + " PeriodicSite: S (8.342, 11.26, 5.861) [0.4107, 0.5543, 0.2885]\n", + " PeriodicSite: S (8.802, 11.39, 16.22) [0.4333, 0.5605, 0.7983]\n", + " PeriodicSite: S (18.86, 1.122, 6.293) [0.9287, 0.05521, 0.3098]\n", + " PeriodicSite: S (18.77, 1.592, 16.36) [0.9242, 0.07837, 0.8055]\n", + " PeriodicSite: S (19.31, 11.29, 6.192) [0.9509, 0.5558, 0.3048]\n", + " PeriodicSite: S (19.16, 11.6, 16.2) [0.9435, 0.571, 0.7978]\n", + " PeriodicSite: S (1.033, 1.129, 4.175) [0.05085, 0.0556, 0.2056]\n", + " PeriodicSite: S (0.8139, 1.271, 14.14) [0.04007, 0.06259, 0.6961]\n", + " PeriodicSite: S (1.309, 11.24, 3.463) [0.06444, 0.5532, 0.1705]\n", + " PeriodicSite: S (1.431, 11.37, 14.13) [0.07044, 0.5596, 0.6954]\n", + " PeriodicSite: S (10.98, 0.9204, 3.864) [0.5406, 0.04531, 0.1902]\n", + " PeriodicSite: S (11.3, 0.9675, 14.18) [0.5563, 0.04763, 0.6981]\n", + " PeriodicSite: S (11.25, 11.81, 4.104) [0.5537, 0.5816, 0.202]\n", + " PeriodicSite: S (11.27, 11.11, 13.95) [0.5551, 0.5469, 0.687]\n", + " PeriodicSite: S (6.662, 3.458, 5.769) [0.328, 0.1702, 0.284]\n", + " PeriodicSite: S (6.292, 3.803, 16.37) [0.3098, 0.1872, 0.8057]\n", + " PeriodicSite: S (6.523, 14.09, 6.392) [0.3211, 0.6937, 0.3147]\n", + " PeriodicSite: S (6.338, 14.49, 16.55) [0.312, 0.7135, 0.8148]\n", + " PeriodicSite: S (16.47, 3.821, 5.972) [0.811, 0.1881, 0.294]\n", + " PeriodicSite: S (16.09, 3.846, 16.48) [0.7922, 0.1893, 0.8115]\n", + " PeriodicSite: S (16.23, 13.97, 6.206) [0.7989, 0.6877, 0.3055]\n", + " PeriodicSite: S (16.37, 13.58, 16.78) [0.8058, 0.6687, 0.8262]\n", + " PeriodicSite: S (7.321, 2.504, 13.02) [0.3604, 0.1233, 0.641]\n", + " PeriodicSite: S (7.654, 12.7, 2.389) [0.3768, 0.625, 0.1176]\n", + " PeriodicSite: S (18.04, 2.481, 2.543) [0.8881, 0.1221, 0.1252]\n", + " PeriodicSite: S (17.7, 12.71, 2.548) [0.8713, 0.6256, 0.1255]\n", + " PeriodicSite: S (17.71, 12.48, 12.59) [0.872, 0.6143, 0.6198]\n", + " PeriodicSite: S (3.401, 8.998, 9.743) [0.1674, 0.443, 0.4797]\n", + " PeriodicSite: S (3.794, 8.803, 19.3) [0.1868, 0.4334, 0.9501]\n", + " PeriodicSite: S (4.013, 18.69, 8.81) [0.1975, 0.9199, 0.4337]\n", + " PeriodicSite: S (3.852, 19.36, 18.74) [0.1896, 0.9529, 0.9227]\n", + " PeriodicSite: S (13.98, 9.273, 8.509) [0.6884, 0.4565, 0.4189]\n", + " PeriodicSite: S (13.93, 9.23, 19.03) [0.6856, 0.4544, 0.9369]\n", + " PeriodicSite: S (14.2, 19.63, 8.711) [0.699, 0.9665, 0.4289]\n", + " PeriodicSite: S (14.33, 19.33, 19.09) [0.7053, 0.9517, 0.9397]\n", + " PeriodicSite: S (8.91, 6.428, 1.586) [0.4387, 0.3164, 0.07809]\n", + " PeriodicSite: S (8.792, 6.302, 11.26) [0.4328, 0.3103, 0.5544]\n", + " PeriodicSite: S (9.227, 16.79, 1.042) [0.4542, 0.8266, 0.05129]\n", + " PeriodicSite: S (8.955, 16.61, 11.79) [0.4409, 0.818, 0.5805]\n", + " PeriodicSite: S (19.09, 6.287, 1.464) [0.94, 0.3095, 0.07206]\n", + " PeriodicSite: S (19.21, 6.426, 11.56) [0.9457, 0.3163, 0.5692]\n", + " PeriodicSite: S (19.31, 16.46, 1.168) [0.9507, 0.8104, 0.05752]\n", + " PeriodicSite: S (19.11, 15.86, 11.08) [0.9409, 0.7809, 0.5453]\n", + " PeriodicSite: S (1.256, 6.319, 9.319) [0.06184, 0.3111, 0.4588]\n", + " PeriodicSite: S (1.206, 6.677, 19.32) [0.05939, 0.3287, 0.9513]\n", + " PeriodicSite: S (1.166, 16.03, 8.754) [0.05739, 0.7891, 0.4309]\n", + " PeriodicSite: S (1.394, 16.48, 18.98) [0.06863, 0.8113, 0.9346]\n", + " PeriodicSite: S (11.11, 6.012, 8.777) [0.547, 0.296, 0.4321]\n", + " PeriodicSite: S (11.21, 6.453, 19.81) [0.5521, 0.3177, 0.9752]\n", + " PeriodicSite: S (11.24, 16.74, 9.211) [0.5534, 0.8242, 0.4535]\n", + " PeriodicSite: S (11.56, 16.63, 18.91) [0.5689, 0.8186, 0.9309]\n", + " PeriodicSite: S (6.105, 8.596, 1.317) [0.3005, 0.4232, 0.06486]\n", + " PeriodicSite: S (6.474, 8.798, 11.26) [0.3187, 0.4331, 0.5542]\n", + " PeriodicSite: S (6.12, 18.8, 1.007) [0.3013, 0.9254, 0.04958]\n", + " PeriodicSite: S (6.432, 19.31, 11.24) [0.3166, 0.9508, 0.5531]\n", + " PeriodicSite: S (16.17, 8.556, 1.18) [0.7962, 0.4212, 0.05809]\n", + " PeriodicSite: S (16.63, 9.185, 10.66) [0.8188, 0.4522, 0.5247]\n", + " PeriodicSite: S (16.5, 18.88, 1.057) [0.8124, 0.9293, 0.05206]\n", + " PeriodicSite: S (16.19, 19.18, 11.24) [0.7969, 0.9445, 0.5534]\n", + " PeriodicSite: S (7.136, 7.464, 17.66) [0.3513, 0.3675, 0.8694]\n", + " PeriodicSite: S (7.686, 17.49, 8.152) [0.3784, 0.8611, 0.4013]\n", + " PeriodicSite: S (17.52, 7.771, 7.393) [0.8624, 0.3826, 0.364]\n", + " PeriodicSite: S (17.64, 18.03, 7.485) [0.8684, 0.8878, 0.3685]\n", + " PeriodicSite: P (5.055, 0.05047, 20.12) [0.2489, 0.002484, 0.9905]\n", + " PeriodicSite: P (4.834, 20.11, 10.04) [0.238, 0.9901, 0.4943]\n", + " PeriodicSite: P (4.96, 9.931, 0.1677) [0.2442, 0.4889, 0.008259]\n", + " PeriodicSite: P (4.945, 10.02, 10.44) [0.2435, 0.4935, 0.5141]\n", + " PeriodicSite: P (15.52, 0.0858, 0.008773) [0.7641, 0.004217, 0.0004362]\n", + " PeriodicSite: P (15.28, 0.2949, 10.07) [0.7524, 0.01451, 0.496]\n", + " PeriodicSite: P (15.26, 10.02, 0.1191) [0.7512, 0.4932, 0.005867]\n", + " PeriodicSite: P (15.34, 10.4, 9.562) [0.7552, 0.5118, 0.4708]\n", + " PeriodicSite: P (5.354, 4.913, 5.198) [0.2636, 0.2419, 0.2559]\n", + " PeriodicSite: P (4.974, 4.918, 15.26) [0.2449, 0.2421, 0.7513]\n", + " PeriodicSite: P (5.113, 15.27, 5.221) [0.2517, 0.7515, 0.257]\n", + " PeriodicSite: P (4.947, 15.3, 15.38) [0.2435, 0.7531, 0.7573]\n", + " PeriodicSite: P (15.21, 5.212, 5.022) [0.7489, 0.2566, 0.2473]\n", + " PeriodicSite: P (14.85, 5.135, 15.35) [0.7312, 0.2528, 0.7557]\n", + " PeriodicSite: P (15.36, 15.33, 4.895) [0.7562, 0.7546, 0.241]\n", + " PeriodicSite: P (15.32, 14.6, 15.48) [0.7543, 0.7187, 0.7619]\n", + " PeriodicSite: P (20.2, 20.15, 5.31) [0.9944, 0.9919, 0.2614]\n", + " PeriodicSite: P (20.05, 0.2176, 15.48) [0.987, 0.01071, 0.7619]\n", + " PeriodicSite: P (0.08351, 10.27, 4.769) [0.004108, 0.5056, 0.2348]\n", + " PeriodicSite: P (0.06325, 10.26, 15.25) [0.003113, 0.5053, 0.7509]\n", + " PeriodicSite: P (9.787, 19.92, 4.905) [0.4818, 0.9806, 0.2415]\n", + " PeriodicSite: P (10.07, 20.18, 15.24) [0.4956, 0.9936, 0.7505]\n", + " PeriodicSite: P (10.04, 10.42, 4.93) [0.4942, 0.513, 0.2427]\n", + " PeriodicSite: P (9.911, 10.02, 15.14) [0.4879, 0.4931, 0.7451]\n", + " PeriodicSite: P (0.02964, 5.431, 0.1836) [0.001457, 0.2674, 0.009038]\n", + " PeriodicSite: P (20.19, 5.082, 10.24) [0.994, 0.2502, 0.504]\n", + " PeriodicSite: P (0.1671, 15.33, 20.28) [0.008227, 0.7547, 0.9985]\n", + " PeriodicSite: P (20.14, 14.71, 9.797) [0.9916, 0.7242, 0.4823]\n", + " PeriodicSite: P (10.01, 5.131, 0.5213) [0.4926, 0.2526, 0.02567]\n", + " PeriodicSite: P (9.843, 5.01, 10.14) [0.4846, 0.2466, 0.4993]\n", + " PeriodicSite: P (10.27, 15.44, 20.16) [0.5057, 0.7602, 0.9927]\n", + " PeriodicSite: P (10.18, 15.45, 10.46) [0.5013, 0.7605, 0.5151],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.042, 5.733, 3.023) [0.05128, 0.2822, 0.1488]\n", + " PeriodicSite: Li (1.264, 2.354, 15.76) [0.06221, 0.1159, 0.7758]\n", + " PeriodicSite: Li (0.172, 11.8, 8.223) [0.008464, 0.5807, 0.4048]\n", + " PeriodicSite: Li (20.3, 12.91, 17.79) [0.9995, 0.6354, 0.8758]\n", + " PeriodicSite: Li (14.64, 1.223, 7.584) [0.7208, 0.06022, 0.3734]\n", + " PeriodicSite: Li (11.08, 2.996, 15.64) [0.5454, 0.1475, 0.77]\n", + " PeriodicSite: Li (17.66, 12.91, 4.853) [0.8693, 0.6353, 0.2389]\n", + " PeriodicSite: Li (17.45, 8.328, 15.15) [0.8589, 0.41, 0.7458]\n", + " PeriodicSite: Li (5.092, 4.325, 8.528) [0.2507, 0.2129, 0.4198]\n", + " PeriodicSite: Li (2.223, 0.4895, 19.29) [0.1094, 0.0241, 0.9497]\n", + " PeriodicSite: Li (3.693, 7.949, 5.271) [0.1818, 0.3913, 0.2595]\n", + " PeriodicSite: Li (6.881, 9.788, 17.57) [0.3388, 0.4819, 0.8649]\n", + " PeriodicSite: Li (12.26, 4.477, 6.19) [0.6038, 0.2204, 0.3047]\n", + " PeriodicSite: Li (14.21, 3.487, 1.364) [0.6998, 0.1717, 0.06717]\n", + " PeriodicSite: Li (12.27, 10.22, 12.19) [0.6038, 0.5033, 0.6]\n", + " PeriodicSite: Li (9.892, 18.65, 18.38) [0.487, 0.9182, 0.9047]\n", + " PeriodicSite: Li (4.655, 1.376, 6.939) [0.2292, 0.06776, 0.3416]\n", + " PeriodicSite: Li (2.463, 19.59, 14.9) [0.1212, 0.9643, 0.7337]\n", + " PeriodicSite: Li (3.393, 10.25, 7.121) [0.1671, 0.5045, 0.3506]\n", + " PeriodicSite: Li (5.822, 9.576, 13.38) [0.2866, 0.4714, 0.6586]\n", + " PeriodicSite: Li (12.08, 1.164, 9.158) [0.5945, 0.0573, 0.4509]\n", + " PeriodicSite: Li (11.01, 2.173, 19.56) [0.5419, 0.107, 0.9628]\n", + " PeriodicSite: Li (13.37, 15.51, 8.411) [0.6582, 0.7638, 0.4141]\n", + " PeriodicSite: Li (12.75, 11.82, 20.05) [0.6275, 0.5821, 0.987]\n", + " PeriodicSite: Li (2.398, 3.987, 6.215) [0.1181, 0.1963, 0.306]\n", + " PeriodicSite: Li (20.24, 1.773, 18.41) [0.9965, 0.08727, 0.9063]\n", + " PeriodicSite: Li (0.8139, 14.4, 7.024) [0.04006, 0.709, 0.3458]\n", + " PeriodicSite: Li (3.671, 15.21, 18.81) [0.1807, 0.7489, 0.9259]\n", + " PeriodicSite: Li (12.73, 0.4084, 6.334) [0.6265, 0.0201, 0.3118]\n", + " PeriodicSite: Li (13.48, 0.6165, 16.61) [0.6635, 0.03034, 0.8175]\n", + " PeriodicSite: Li (11.34, 12.36, 9.608) [0.5584, 0.6083, 0.473]\n", + " PeriodicSite: Li (15.9, 17.53, 19.13) [0.7827, 0.8631, 0.9418]\n", + " PeriodicSite: Li (6.954, 0.6628, 4.778) [0.3423, 0.03263, 0.2352]\n", + " PeriodicSite: Li (0.7634, 18.12, 0.5602) [0.03758, 0.8919, 0.02758]\n", + " PeriodicSite: Li (2.732, 14.14, 9.335) [0.1345, 0.696, 0.4596]\n", + " PeriodicSite: Li (1.872, 16.9, 14.95) [0.09216, 0.832, 0.736]\n", + " PeriodicSite: Li (14.67, 4.111, 7.685) [0.722, 0.2024, 0.3783]\n", + " PeriodicSite: Li (14.84, 3.056, 18.74) [0.7306, 0.1504, 0.9225]\n", + " PeriodicSite: Li (16.23, 16.21, 7.718) [0.799, 0.7979, 0.38]\n", + " PeriodicSite: Li (9.497, 12.0, 18.63) [0.4675, 0.5907, 0.9172]\n", + " PeriodicSite: Li (4.714, 1.623, 3.553) [0.2321, 0.07992, 0.1749]\n", + " PeriodicSite: Li (3.616, 0.6914, 17.08) [0.178, 0.03404, 0.8406]\n", + " PeriodicSite: Li (3.219, 12.24, 5.515) [0.1585, 0.6024, 0.2715]\n", + " PeriodicSite: Li (19.73, 13.32, 3.027) [0.9712, 0.6555, 0.149]\n", + " PeriodicSite: Li (9.81, 2.797, 7.214) [0.483, 0.1377, 0.3551]\n", + " PeriodicSite: Li (17.05, 0.8543, 16.74) [0.8395, 0.04205, 0.824]\n", + " PeriodicSite: Li (15.13, 12.54, 3.534) [0.745, 0.6173, 0.174]\n", + " PeriodicSite: Li (14.62, 8.627, 17.19) [0.72, 0.4247, 0.8464]\n", + " PeriodicSite: Li (3.254, 12.59, 15.77) [0.1602, 0.6197, 0.7766]\n", + " PeriodicSite: Li (2.327, 11.02, 9.877) [0.1146, 0.5427, 0.4863]\n", + " PeriodicSite: Li (0.5432, 16.82, 3.322) [0.02674, 0.8281, 0.1635]\n", + " PeriodicSite: Li (1.541, 1.867, 10.11) [0.07588, 0.09193, 0.4979]\n", + " PeriodicSite: Li (12.17, 5.5, 3.189) [0.5991, 0.2708, 0.157]\n", + " PeriodicSite: Li (11.7, 6.233, 15.04) [0.5759, 0.3068, 0.7405]\n", + " PeriodicSite: Li (12.07, 13.47, 5.655) [0.5943, 0.663, 0.2784]\n", + " PeriodicSite: Li (13.89, 20.22, 13.38) [0.6836, 0.9956, 0.6588]\n", + " PeriodicSite: Li (3.532, 6.759, 0.5772) [0.1739, 0.3328, 0.02842]\n", + " PeriodicSite: Li (2.896, 5.26, 10.89) [0.1426, 0.259, 0.5361]\n", + " PeriodicSite: Li (6.776, 16.58, 19.4) [0.3336, 0.8164, 0.955]\n", + " PeriodicSite: Li (5.285, 18.29, 16.38) [0.2602, 0.9004, 0.8065]\n", + " PeriodicSite: Li (14.48, 6.988, 1.712) [0.7131, 0.344, 0.08431]\n", + " PeriodicSite: Li (10.45, 7.906, 12.31) [0.5143, 0.3892, 0.6062]\n", + " PeriodicSite: Li (13.87, 18.0, 4.54) [0.6829, 0.8862, 0.2235]\n", + " PeriodicSite: Li (10.05, 17.21, 14.03) [0.4948, 0.847, 0.6906]\n", + " PeriodicSite: Li (3.664, 10.76, 17.76) [0.1804, 0.5297, 0.8741]\n", + " PeriodicSite: Li (4.825, 6.991, 11.89) [0.2375, 0.3442, 0.5855]\n", + " PeriodicSite: Li (4.974, 18.3, 2.994) [0.2449, 0.901, 0.1474]\n", + " PeriodicSite: Li (2.791, 17.32, 10.33) [0.1374, 0.8525, 0.5086]\n", + " PeriodicSite: Li (10.5, 7.921, 1.053) [0.5168, 0.39, 0.05186]\n", + " PeriodicSite: Li (13.45, 5.411, 12.04) [0.6624, 0.2664, 0.5929]\n", + " PeriodicSite: Li (11.59, 16.05, 2.859) [0.5704, 0.7903, 0.1407]\n", + " PeriodicSite: Li (13.63, 15.57, 12.2) [0.6709, 0.7665, 0.6004]\n", + " PeriodicSite: Li (0.1654, 8.625, 1.991) [0.00814, 0.4246, 0.09802]\n", + " PeriodicSite: Li (16.84, 5.018, 11.76) [0.8288, 0.247, 0.5788]\n", + " PeriodicSite: Li (3.255, 18.22, 4.711) [0.1603, 0.8972, 0.2319]\n", + " PeriodicSite: Li (0.6917, 19.49, 12.16) [0.03405, 0.9593, 0.5984]\n", + " PeriodicSite: Li (9.708, 7.634, 4.738) [0.4779, 0.3758, 0.2333]\n", + " PeriodicSite: Li (12.7, 8.873, 14.93) [0.6255, 0.4368, 0.7348]\n", + " PeriodicSite: Li (14.54, 16.13, 1.746) [0.7156, 0.7942, 0.08595]\n", + " PeriodicSite: Li (11.68, 15.37, 17.01) [0.5751, 0.7568, 0.8373]\n", + " PeriodicSite: Li (6.33, 8.491, 3.769) [0.3116, 0.418, 0.1855]\n", + " PeriodicSite: Li (20.25, 12.0, 12.36) [0.9971, 0.5906, 0.6086]\n", + " PeriodicSite: Li (17.8, 16.12, 5.709) [0.8764, 0.7936, 0.2811]\n", + " PeriodicSite: Li (4.389, 19.3, 12.99) [0.2161, 0.9502, 0.6397]\n", + " PeriodicSite: Li (16.8, 10.34, 2.932) [0.8271, 0.509, 0.1444]\n", + " PeriodicSite: Li (13.88, 7.348, 10.25) [0.6835, 0.3617, 0.5047]\n", + " PeriodicSite: Li (12.31, 18.73, 0.2873) [0.606, 0.922, 0.01415]\n", + " PeriodicSite: Li (13.96, 17.68, 10.67) [0.6871, 0.8704, 0.5255]\n", + " PeriodicSite: Li (3.295, 3.086, 20.16) [0.1622, 0.1519, 0.9923]\n", + " PeriodicSite: Li (2.823, 9.77, 14.51) [0.139, 0.481, 0.7142]\n", + " PeriodicSite: Li (2.183, 20.04, 2.152) [0.1075, 0.9868, 0.1059]\n", + " PeriodicSite: Li (0.5751, 15.64, 12.85) [0.02831, 0.7698, 0.6327]\n", + " PeriodicSite: Li (13.18, 9.877, 4.378) [0.6487, 0.4863, 0.2156]\n", + " PeriodicSite: Li (14.96, 8.402, 13.23) [0.7363, 0.4136, 0.6515]\n", + " PeriodicSite: Li (15.62, 18.92, 2.832) [0.7691, 0.9317, 0.1394]\n", + " PeriodicSite: Li (19.57, 4.729, 13.36) [0.9635, 0.2328, 0.6576]\n", + " PeriodicSite: Li (9.093, 3.54, 3.196) [0.4476, 0.1743, 0.1574]\n", + " PeriodicSite: Li (9.522, 1.045, 12.31) [0.4688, 0.05147, 0.606]\n", + " PeriodicSite: Li (6.58, 11.76, 4.838) [0.3239, 0.5791, 0.2382]\n", + " PeriodicSite: Li (6.489, 12.67, 14.96) [0.3194, 0.6237, 0.7367]\n", + " PeriodicSite: Li (19.3, 2.811, 4.51) [0.9501, 0.1384, 0.222]\n", + " PeriodicSite: Li (12.85, 4.493, 9.209) [0.6325, 0.2212, 0.4534]\n", + " PeriodicSite: Li (18.64, 11.6, 0.3401) [0.9177, 0.5712, 0.01675]\n", + " PeriodicSite: Li (17.77, 10.83, 13.8) [0.8749, 0.5333, 0.6795]\n", + " PeriodicSite: Li (6.625, 17.99, 5.73) [0.3261, 0.8857, 0.2821]\n", + " PeriodicSite: Li (8.173, 2.893, 14.74) [0.4024, 0.1424, 0.7257]\n", + " PeriodicSite: Li (6.91, 13.47, 20.17) [0.3402, 0.663, 0.9931]\n", + " PeriodicSite: Li (9.806, 13.75, 13.1) [0.4828, 0.6771, 0.645]\n", + " PeriodicSite: Li (13.17, 0.421, 3.331) [0.6483, 0.02072, 0.164]\n", + " PeriodicSite: Li (18.37, 2.25, 10.73) [0.9042, 0.1108, 0.5283]\n", + " PeriodicSite: Li (17.14, 15.01, 1.613) [0.8437, 0.7389, 0.07942]\n", + " PeriodicSite: Li (17.11, 15.07, 11.87) [0.8422, 0.7421, 0.5845]\n", + " PeriodicSite: Li (7.925, 5.317, 6.3) [0.3902, 0.2618, 0.3102]\n", + " PeriodicSite: Li (6.827, 20.15, 13.47) [0.3361, 0.9919, 0.6633]\n", + " PeriodicSite: Li (9.852, 12.47, 1.883) [0.485, 0.6137, 0.09269]\n", + " PeriodicSite: Li (5.651, 13.68, 11.42) [0.2782, 0.6733, 0.5623]\n", + " PeriodicSite: Li (0.03514, 2.152, 2.252) [0.00173, 0.1059, 0.1108]\n", + " PeriodicSite: Li (1.784, 8.186, 10.48) [0.08784, 0.403, 0.5159]\n", + " PeriodicSite: Li (15.97, 12.82, 20.26) [0.7862, 0.6313, 0.9975]\n", + " PeriodicSite: Li (15.62, 11.91, 12.8) [0.7689, 0.5862, 0.6304]\n", + " PeriodicSite: Li (2.885, 20.04, 6.84) [0.142, 0.9868, 0.3367]\n", + " PeriodicSite: Li (5.158, 2.005, 14.21) [0.254, 0.09872, 0.6996]\n", + " PeriodicSite: Li (5.238, 13.37, 1.91) [0.2579, 0.658, 0.09403]\n", + " PeriodicSite: Li (8.37, 6.766, 15.56) [0.4121, 0.3331, 0.7662]\n", + " PeriodicSite: Li (17.91, 4.758, 2.65) [0.8816, 0.2342, 0.1305]\n", + " PeriodicSite: Li (16.87, 0.191, 13.64) [0.8306, 0.009396, 0.6716]\n", + " PeriodicSite: Li (13.91, 14.89, 18.67) [0.685, 0.7328, 0.9193]\n", + " PeriodicSite: Li (18.09, 11.91, 10.5) [0.8906, 0.5865, 0.5168]\n", + " PeriodicSite: Li (6.434, 3.013, 0.3446) [0.3167, 0.1483, 0.01697]\n", + " PeriodicSite: Li (5.257, 3.034, 11.73) [0.2588, 0.1494, 0.5775]\n", + " PeriodicSite: Li (7.871, 10.84, 1.083) [0.3875, 0.5337, 0.05332]\n", + " PeriodicSite: Li (8.041, 10.52, 11.19) [0.3958, 0.5177, 0.551]\n", + " PeriodicSite: Li (15.93, 2.016, 4.156) [0.7843, 0.09924, 0.2046]\n", + " PeriodicSite: Li (14.88, 2.884, 10.59) [0.7328, 0.142, 0.5214]\n", + " PeriodicSite: Li (1.809, 11.49, 20.31) [0.08905, 0.5655, 0.9998]\n", + " PeriodicSite: Li (18.24, 13.87, 14.71) [0.8981, 0.683, 0.7241]\n", + " PeriodicSite: Li (8.006, 20.21, 2.07) [0.3941, 0.9948, 0.1019]\n", + " PeriodicSite: Li (8.456, 2.155, 10.24) [0.4163, 0.1061, 0.5042]\n", + " PeriodicSite: Li (8.736, 13.7, 4.368) [0.4301, 0.6746, 0.215]\n", + " PeriodicSite: Li (4.014, 16.07, 12.28) [0.1976, 0.791, 0.6045]\n", + " PeriodicSite: Li (17.15, 3.074, 0.4014) [0.8442, 0.1513, 0.01977]\n", + " PeriodicSite: Li (2.184, 5.956, 14.32) [0.1075, 0.2932, 0.7048]\n", + " PeriodicSite: Li (5.003, 12.9, 8.345) [0.2463, 0.6352, 0.4108]\n", + " PeriodicSite: Li (15.18, 13.24, 9.28) [0.7472, 0.6519, 0.4569]\n", + " PeriodicSite: Li (14.11, 11.18, 7.006) [0.6944, 0.5504, 0.3449]\n", + " PeriodicSite: Li (5.722, 8.241, 15.98) [0.2817, 0.4057, 0.7867]\n", + " PeriodicSite: Li (6.8, 16.79, 10.62) [0.3348, 0.8266, 0.5229]\n", + " PeriodicSite: Li (4.118, 17.44, 0.4294) [0.2027, 0.8586, 0.02114]\n", + " PeriodicSite: Li (17.37, 10.08, 6.588) [0.855, 0.4964, 0.3243]\n", + " PeriodicSite: Li (1.453, 4.999, 17.37) [0.07156, 0.2461, 0.8552]\n", + " PeriodicSite: Li (17.3, 19.84, 5.445) [0.8517, 0.9765, 0.2681]\n", + " PeriodicSite: Li (19.92, 17.17, 17.98) [0.9808, 0.8451, 0.885]\n", + " PeriodicSite: Li (6.637, 9.62, 6.914) [0.3267, 0.4736, 0.3404]\n", + " PeriodicSite: Li (7.019, 5.335, 18.64) [0.3455, 0.2626, 0.9176]\n", + " PeriodicSite: Li (7.893, 19.81, 8.353) [0.3886, 0.9751, 0.4112]\n", + " PeriodicSite: Li (7.701, 15.77, 16.0) [0.3791, 0.7763, 0.7878]\n", + " PeriodicSite: Li (18.28, 8.61, 9.567) [0.9001, 0.4239, 0.471]\n", + " PeriodicSite: Li (17.12, 6.558, 19.98) [0.843, 0.3229, 0.9837]\n", + " PeriodicSite: Li (18.19, 20.1, 8.218) [0.8956, 0.9893, 0.4046]\n", + " PeriodicSite: Li (18.34, 17.12, 15.4) [0.9028, 0.8426, 0.758]\n", + " PeriodicSite: Li (7.088, 6.677, 9.589) [0.349, 0.3287, 0.4721]\n", + " PeriodicSite: Li (4.499, 3.67, 18.04) [0.2215, 0.1807, 0.8879]\n", + " PeriodicSite: Li (9.367, 17.74, 9.5) [0.4612, 0.8733, 0.4677]\n", + " PeriodicSite: Li (14.53, 12.16, 16.38) [0.7152, 0.5988, 0.8063]\n", + " PeriodicSite: Li (19.7, 7.128, 5.808) [0.9698, 0.3509, 0.286]\n", + " PeriodicSite: Li (18.44, 5.597, 16.81) [0.9076, 0.2756, 0.8275]\n", + " PeriodicSite: Li (17.3, 17.22, 9.762) [0.8517, 0.8476, 0.4806]\n", + " PeriodicSite: Li (17.27, 15.07, 18.76) [0.8502, 0.7418, 0.9234]\n", + " PeriodicSite: Li (9.877, 8.592, 8.171) [0.4863, 0.423, 0.4023]\n", + " PeriodicSite: Li (6.446, 5.561, 1.615) [0.3174, 0.2738, 0.07949]\n", + " PeriodicSite: Li (5.152, 17.18, 8.532) [0.2536, 0.8457, 0.42]\n", + " PeriodicSite: Li (7.376, 15.2, 2.172) [0.3631, 0.7481, 0.107]\n", + " PeriodicSite: Li (15.69, 6.629, 8.141) [0.7725, 0.3264, 0.4008]\n", + " PeriodicSite: Li (20.27, 8.453, 18.24) [0.9977, 0.4162, 0.8981]\n", + " PeriodicSite: Li (15.57, 18.45, 6.775) [0.7666, 0.9083, 0.3336]\n", + " PeriodicSite: Li (15.03, 18.0, 15.05) [0.7398, 0.8861, 0.7409]\n", + " PeriodicSite: Li (7.382, 4.646, 11.92) [0.3634, 0.2287, 0.5868]\n", + " PeriodicSite: Li (5.207, 6.956, 18.56) [0.2563, 0.3425, 0.9138]\n", + " PeriodicSite: Li (9.572, 16.79, 6.84) [0.4712, 0.8264, 0.3368]\n", + " PeriodicSite: Li (10.99, 18.88, 2.691) [0.541, 0.9296, 0.1325]\n", + " PeriodicSite: Li (15.4, 7.987, 5.494) [0.758, 0.3932, 0.2705]\n", + " PeriodicSite: Li (13.72, 6.121, 19.24) [0.6757, 0.3013, 0.9474]\n", + " PeriodicSite: Li (20.08, 17.52, 7.686) [0.9885, 0.8627, 0.3784]\n", + " PeriodicSite: Li (18.48, 0.2139, 1.779) [0.9098, 0.01052, 0.08758]\n", + " PeriodicSite: Li (3.211, 10.11, 3.35) [0.1581, 0.4978, 0.1649]\n", + " PeriodicSite: Li (9.619, 7.392, 18.01) [0.4736, 0.3639, 0.8869]\n", + " PeriodicSite: Li (7.58, 15.07, 7.795) [0.3732, 0.7421, 0.3838]\n", + " PeriodicSite: Li (7.562, 19.91, 16.0) [0.3723, 0.9801, 0.7879]\n", + " PeriodicSite: Li (18.41, 5.231, 6.915) [0.9062, 0.2575, 0.3405]\n", + " PeriodicSite: Li (16.94, 10.48, 16.82) [0.834, 0.516, 0.8282]\n", + " PeriodicSite: Li (3.542, 15.55, 2.067) [0.1744, 0.7656, 0.1017]\n", + " PeriodicSite: Li (15.77, 2.498, 14.82) [0.7764, 0.123, 0.7295]\n", + " PeriodicSite: Cl (7.779, 12.75, 12.94) [0.383, 0.6277, 0.6369]\n", + " PeriodicSite: Cl (2.484, 12.63, 18.05) [0.1223, 0.622, 0.8885]\n", + " PeriodicSite: Cl (12.85, 17.89, 13.01) [0.6328, 0.881, 0.6403]\n", + " PeriodicSite: Cl (17.95, 7.936, 17.65) [0.8837, 0.3907, 0.8689]\n", + " PeriodicSite: Cl (7.318, 2.195, 2.329) [0.3603, 0.1081, 0.1147]\n", + " PeriodicSite: Cl (7.998, 7.394, 7.437) [0.3938, 0.364, 0.3661]\n", + " PeriodicSite: Cl (12.68, 13.09, 7.919) [0.6244, 0.6444, 0.3898]\n", + " PeriodicSite: Cl (2.47, 7.672, 2.747) [0.1216, 0.3777, 0.1353]\n", + " PeriodicSite: Cl (2.683, 7.51, 12.55) [0.1321, 0.3697, 0.6176]\n", + " PeriodicSite: Cl (12.86, 12.94, 18.11) [0.6332, 0.6371, 0.8918]\n", + " PeriodicSite: Cl (17.64, 17.22, 17.63) [0.8682, 0.8478, 0.868]\n", + " PeriodicSite: Cl (2.579, 2.015, 7.896) [0.127, 0.0992, 0.3887]\n", + " PeriodicSite: Cl (12.59, 2.717, 17.87) [0.6199, 0.1338, 0.8799]\n", + " PeriodicSite: Cl (12.62, 7.805, 2.822) [0.6212, 0.3843, 0.1389]\n", + " PeriodicSite: Cl (17.09, 2.623, 12.83) [0.8414, 0.1291, 0.6316]\n", + " PeriodicSite: Cl (7.382, 18.31, 17.8) [0.3634, 0.9015, 0.8761]\n", + " PeriodicSite: Cl (0.3913, 0.1903, 0.5291) [0.01927, 0.009369, 0.02605]\n", + " PeriodicSite: Cl (20.14, 0.3123, 10.28) [0.9914, 0.01537, 0.5063]\n", + " PeriodicSite: Cl (0.1523, 10.05, 20.3) [0.007499, 0.4948, 0.9995]\n", + " PeriodicSite: Cl (0.04056, 10.32, 10.36) [0.001995, 0.5083, 0.5099]\n", + " PeriodicSite: Cl (10.13, 20.24, 20.25) [0.4988, 0.9966, 0.9968]\n", + " PeriodicSite: Cl (9.922, 0.3389, 9.558) [0.4885, 0.01668, 0.4706]\n", + " PeriodicSite: Cl (10.24, 10.9, 0.1184) [0.5041, 0.5367, 0.005833]\n", + " PeriodicSite: Cl (10.18, 9.973, 10.04) [0.5011, 0.491, 0.4943]\n", + " PeriodicSite: Cl (20.16, 4.758, 5.083) [0.9925, 0.2342, 0.2503]\n", + " PeriodicSite: Cl (0.1186, 5.021, 15.55) [0.005841, 0.2472, 0.7655]\n", + " PeriodicSite: Cl (19.99, 15.24, 4.753) [0.9841, 0.7503, 0.234]\n", + " PeriodicSite: Cl (0.01505, 15.34, 15.16) [0.000738, 0.7552, 0.7465]\n", + " PeriodicSite: Cl (10.01, 4.847, 5.209) [0.4929, 0.2386, 0.2565]\n", + " PeriodicSite: Cl (9.826, 4.939, 15.49) [0.4838, 0.2432, 0.7626]\n", + " PeriodicSite: Cl (10.36, 15.37, 5.157) [0.51, 0.7567, 0.2539]\n", + " PeriodicSite: Cl (10.03, 15.16, 15.29) [0.4938, 0.7464, 0.7528]\n", + " PeriodicSite: S (4.784, 20.09, 4.837) [0.2355, 0.989, 0.2381]\n", + " PeriodicSite: S (4.877, 20.26, 15.07) [0.2401, 0.9972, 0.742]\n", + " PeriodicSite: S (4.703, 10.13, 5.243) [0.2315, 0.4986, 0.2581]\n", + " PeriodicSite: S (4.774, 10.26, 15.48) [0.235, 0.505, 0.7622]\n", + " PeriodicSite: S (15.03, 20.18, 5.268) [0.7399, 0.9932, 0.2593]\n", + " PeriodicSite: S (15.18, 0.1107, 15.17) [0.7474, 0.005442, 0.7469]\n", + " PeriodicSite: S (15.25, 10.61, 4.897) [0.751, 0.5223, 0.2411]\n", + " PeriodicSite: S (15.4, 9.843, 15.32) [0.7582, 0.4846, 0.7544]\n", + " PeriodicSite: S (4.846, 4.887, 20.05) [0.2386, 0.2406, 0.9872]\n", + " PeriodicSite: S (5.218, 5.085, 10.63) [0.2569, 0.2503, 0.5232]\n", + " PeriodicSite: S (5.247, 15.43, 0.3741) [0.2583, 0.7596, 0.01842]\n", + " PeriodicSite: S (4.694, 15.58, 10.13) [0.2311, 0.7671, 0.4989]\n", + " PeriodicSite: S (15.24, 5.085, 0.1915) [0.7501, 0.2503, 0.009434]\n", + " PeriodicSite: S (14.9, 5.035, 10.08) [0.7336, 0.2479, 0.4964]\n", + " PeriodicSite: S (15.56, 15.27, 20.17) [0.7659, 0.7516, 0.9931]\n", + " PeriodicSite: S (15.24, 15.72, 9.862) [0.7505, 0.774, 0.4855]\n", + " PeriodicSite: S (8.848, 4.133, 8.761) [0.4356, 0.2035, 0.4313]\n", + " PeriodicSite: S (9.021, 3.74, 19.46) [0.4441, 0.1841, 0.958]\n", + " PeriodicSite: S (9.41, 13.88, 8.844) [0.4633, 0.6834, 0.4354]\n", + " PeriodicSite: S (8.947, 14.56, 19.03) [0.4405, 0.7166, 0.9367]\n", + " PeriodicSite: S (18.65, 4.476, 9.537) [0.9184, 0.2204, 0.4695]\n", + " PeriodicSite: S (19.29, 4.157, 18.95) [0.9495, 0.2047, 0.933]\n", + " PeriodicSite: S (19.1, 13.63, 8.996) [0.9405, 0.6708, 0.4429]\n", + " PeriodicSite: S (19.2, 13.73, 19.49) [0.9454, 0.6761, 0.9594]\n", + " PeriodicSite: S (3.976, 0.9798, 1.254) [0.1957, 0.04824, 0.06174]\n", + " PeriodicSite: S (3.979, 1.282, 11.22) [0.1959, 0.06313, 0.5522]\n", + " PeriodicSite: S (3.918, 11.44, 1.571) [0.1929, 0.5631, 0.07733]\n", + " PeriodicSite: S (4.361, 11.26, 11.91) [0.2147, 0.5542, 0.5863]\n", + " PeriodicSite: S (14.42, 1.258, 1.098) [0.7097, 0.06193, 0.05407]\n", + " PeriodicSite: S (13.74, 0.9777, 11.2) [0.6764, 0.04813, 0.5512]\n", + " PeriodicSite: S (14.43, 11.47, 1.201) [0.7106, 0.5648, 0.05912]\n", + " PeriodicSite: S (14.13, 11.45, 10.96) [0.6956, 0.5638, 0.5393]\n", + " PeriodicSite: S (6.401, 1.212, 8.876) [0.3151, 0.05968, 0.437]\n", + " PeriodicSite: S (5.978, 1.313, 18.81) [0.2943, 0.06466, 0.9263]\n", + " PeriodicSite: S (6.359, 11.07, 9.028) [0.3131, 0.5449, 0.4445]\n", + " PeriodicSite: S (6.374, 11.04, 19.44) [0.3138, 0.5436, 0.9572]\n", + " PeriodicSite: S (16.33, 1.386, 9.128) [0.804, 0.06821, 0.4494]\n", + " PeriodicSite: S (16.7, 1.362, 19.07) [0.8224, 0.06704, 0.939]\n", + " PeriodicSite: S (16.4, 11.45, 8.609) [0.8072, 0.5638, 0.4238]\n", + " PeriodicSite: S (16.48, 10.97, 18.9) [0.8114, 0.54, 0.9307]\n", + " PeriodicSite: S (1.379, 3.908, 1.172) [0.0679, 0.1924, 0.05768]\n", + " PeriodicSite: S (1.014, 3.698, 11.47) [0.04994, 0.182, 0.5647]\n", + " PeriodicSite: S (1.13, 13.94, 1.263) [0.05561, 0.6862, 0.06219]\n", + " PeriodicSite: S (1.091, 13.87, 11.45) [0.05371, 0.6831, 0.5636]\n", + " PeriodicSite: S (11.07, 4.084, 1.64) [0.5452, 0.2011, 0.08074]\n", + " PeriodicSite: S (11.32, 4.005, 11.08) [0.5573, 0.1971, 0.5454]\n", + " PeriodicSite: S (11.83, 14.32, 0.9949) [0.5824, 0.705, 0.04898]\n", + " PeriodicSite: S (11.58, 13.85, 11.33) [0.5703, 0.682, 0.5578]\n", + " PeriodicSite: S (2.267, 2.284, 17.81) [0.1116, 0.1125, 0.877]\n", + " PeriodicSite: S (2.559, 12.46, 7.743) [0.126, 0.6134, 0.3812]\n", + " PeriodicSite: S (12.72, 2.617, 7.553) [0.6261, 0.1288, 0.3718]\n", + " PeriodicSite: S (8.752, 9.253, 3.437) [0.4309, 0.4555, 0.1692]\n", + " PeriodicSite: S (8.257, 8.927, 13.93) [0.4065, 0.4395, 0.6859]\n", + " PeriodicSite: S (8.51, 18.96, 4.069) [0.419, 0.9333, 0.2003]\n", + " PeriodicSite: S (9.042, 19.19, 14.04) [0.4451, 0.9448, 0.6914]\n", + " PeriodicSite: S (19.21, 9.003, 3.98) [0.9459, 0.4432, 0.1959]\n", + " PeriodicSite: S (19.33, 9.364, 13.85) [0.9519, 0.461, 0.6819]\n", + " PeriodicSite: S (19.2, 19.1, 3.583) [0.945, 0.9405, 0.1764]\n", + " PeriodicSite: S (18.65, 19.28, 13.96) [0.9182, 0.949, 0.6874]\n", + " PeriodicSite: S (4.321, 6.069, 6.807) [0.2127, 0.2988, 0.3351]\n", + " PeriodicSite: S (3.855, 6.058, 16.69) [0.1898, 0.2982, 0.8215]\n", + " PeriodicSite: S (4.253, 16.57, 6.426) [0.2094, 0.8155, 0.3163]\n", + " PeriodicSite: S (3.603, 16.24, 16.49) [0.1774, 0.7993, 0.8118]\n", + " PeriodicSite: S (14.17, 6.034, 6.313) [0.6974, 0.297, 0.3108]\n", + " PeriodicSite: S (13.9, 6.54, 16.67) [0.6844, 0.322, 0.8205]\n", + " PeriodicSite: S (13.98, 16.75, 6.211) [0.688, 0.8247, 0.3058]\n", + " PeriodicSite: S (14.32, 16.14, 16.65) [0.705, 0.7947, 0.8195]\n", + " PeriodicSite: S (6.591, 5.939, 4.123) [0.3245, 0.2924, 0.203]\n", + " PeriodicSite: S (6.157, 6.22, 14.2) [0.3031, 0.3062, 0.699]\n", + " PeriodicSite: S (6.521, 16.32, 3.986) [0.321, 0.8036, 0.1962]\n", + " PeriodicSite: S (6.338, 16.71, 14.41) [0.312, 0.8229, 0.7096]\n", + " PeriodicSite: S (16.12, 6.33, 3.602) [0.7935, 0.3116, 0.1774]\n", + " PeriodicSite: S (16.47, 6.317, 14.45) [0.811, 0.311, 0.7114]\n", + " PeriodicSite: S (16.04, 16.75, 3.808) [0.7895, 0.8248, 0.1875]\n", + " PeriodicSite: S (16.54, 16.08, 14.23) [0.8143, 0.7918, 0.7007]\n", + " PeriodicSite: S (1.22, 8.73, 6.115) [0.06004, 0.4298, 0.3011]\n", + " PeriodicSite: S (1.46, 9.382, 16.32) [0.07186, 0.4619, 0.8037]\n", + " PeriodicSite: S (1.043, 18.77, 6.107) [0.05132, 0.9242, 0.3007]\n", + " PeriodicSite: S (0.632, 19.16, 16.41) [0.03111, 0.9432, 0.8077]\n", + " PeriodicSite: S (10.95, 9.33, 6.095) [0.539, 0.4593, 0.3001]\n", + " PeriodicSite: S (10.77, 8.378, 16.26) [0.5301, 0.4124, 0.8004]\n", + " PeriodicSite: S (11.22, 18.88, 6.122) [0.5525, 0.9293, 0.3014]\n", + " PeriodicSite: S (11.28, 19.03, 16.21) [0.5551, 0.9366, 0.7982]\n", + " PeriodicSite: S (2.617, 17.9, 2.404) [0.1288, 0.8813, 0.1184]\n", + " PeriodicSite: S (2.05, 17.48, 12.57) [0.1009, 0.8607, 0.6189]\n", + " PeriodicSite: S (12.66, 7.69, 12.72) [0.6234, 0.3786, 0.6264]\n", + " PeriodicSite: S (13.08, 17.93, 2.302) [0.6437, 0.8826, 0.1134]\n", + " PeriodicSite: S (3.798, 3.867, 4.288) [0.187, 0.1904, 0.2111]\n", + " PeriodicSite: S (3.728, 4.003, 13.98) [0.1835, 0.1971, 0.6881]\n", + " PeriodicSite: S (3.931, 14.14, 4.021) [0.1935, 0.6959, 0.198]\n", + " PeriodicSite: S (4.383, 14.14, 13.89) [0.2158, 0.6963, 0.684]\n", + " PeriodicSite: S (13.99, 3.535, 3.918) [0.6885, 0.174, 0.1929]\n", + " PeriodicSite: S (13.71, 4.481, 14.3) [0.6748, 0.2206, 0.7042]\n", + " PeriodicSite: S (13.47, 14.54, 3.749) [0.6634, 0.7157, 0.1846]\n", + " PeriodicSite: S (14.32, 13.74, 14.25) [0.705, 0.6765, 0.7017]\n", + " PeriodicSite: S (8.831, 0.8454, 6.255) [0.4348, 0.04162, 0.3079]\n", + " PeriodicSite: S (9.251, 1.353, 16.4) [0.4554, 0.06662, 0.8075]\n", + " PeriodicSite: S (8.474, 11.42, 5.919) [0.4172, 0.5621, 0.2914]\n", + " PeriodicSite: S (8.579, 11.27, 16.48) [0.4224, 0.5548, 0.8111]\n", + " PeriodicSite: S (19.15, 0.9951, 6.293) [0.9426, 0.04898, 0.3098]\n", + " PeriodicSite: S (19.26, 1.596, 16.11) [0.948, 0.07855, 0.793]\n", + " PeriodicSite: S (19.3, 11.58, 6.135) [0.95, 0.57, 0.302]\n", + " PeriodicSite: S (19.07, 11.65, 16.18) [0.9387, 0.5737, 0.7968]\n", + " PeriodicSite: S (1.204, 1.209, 4.033) [0.05927, 0.05951, 0.1985]\n", + " PeriodicSite: S (0.9883, 0.9454, 13.84) [0.04866, 0.04655, 0.6811]\n", + " PeriodicSite: S (1.29, 11.43, 3.934) [0.06348, 0.5629, 0.1937]\n", + " PeriodicSite: S (1.284, 11.79, 14.29) [0.06323, 0.5802, 0.7037]\n", + " PeriodicSite: S (10.84, 0.9031, 3.597) [0.5339, 0.04446, 0.1771]\n", + " PeriodicSite: S (11.5, 1.356, 13.88) [0.5662, 0.06677, 0.6835]\n", + " PeriodicSite: S (11.19, 11.65, 3.885) [0.5508, 0.5737, 0.1913]\n", + " PeriodicSite: S (10.91, 10.97, 14.07) [0.5369, 0.54, 0.6926]\n", + " PeriodicSite: S (6.129, 3.529, 6.428) [0.3017, 0.1737, 0.3165]\n", + " PeriodicSite: S (6.066, 3.453, 16.23) [0.2986, 0.17, 0.799]\n", + " PeriodicSite: S (6.145, 13.82, 6.411) [0.3025, 0.6802, 0.3156]\n", + " PeriodicSite: S (6.118, 14.29, 16.79) [0.3012, 0.7037, 0.8265]\n", + " PeriodicSite: S (16.42, 3.833, 6.006) [0.8084, 0.1887, 0.2957]\n", + " PeriodicSite: S (16.19, 4.075, 16.79) [0.7973, 0.2006, 0.8268]\n", + " PeriodicSite: S (16.25, 14.41, 6.075) [0.8002, 0.7096, 0.2991]\n", + " PeriodicSite: S (16.39, 13.53, 16.81) [0.8068, 0.6662, 0.8275]\n", + " PeriodicSite: S (7.319, 2.283, 12.67) [0.3603, 0.1124, 0.6237]\n", + " PeriodicSite: S (7.382, 12.9, 2.392) [0.3634, 0.6351, 0.1178]\n", + " PeriodicSite: S (17.91, 2.49, 2.54) [0.8816, 0.1226, 0.125]\n", + " PeriodicSite: S (17.66, 12.72, 2.389) [0.8694, 0.6263, 0.1176]\n", + " PeriodicSite: S (17.81, 12.74, 12.59) [0.877, 0.627, 0.6198]\n", + " PeriodicSite: S (3.694, 9.102, 9.164) [0.1819, 0.4481, 0.4512]\n", + " PeriodicSite: S (3.758, 8.936, 19.48) [0.185, 0.4399, 0.9588]\n", + " PeriodicSite: S (4.04, 19.33, 8.767) [0.1989, 0.9518, 0.4316]\n", + " PeriodicSite: S (3.681, 19.16, 18.88) [0.1812, 0.9432, 0.9296]\n", + " PeriodicSite: S (14.14, 9.167, 8.61) [0.6959, 0.4513, 0.4239]\n", + " PeriodicSite: S (13.79, 8.846, 19.41) [0.679, 0.4355, 0.9554]\n", + " PeriodicSite: S (14.03, 19.21, 8.794) [0.6908, 0.9457, 0.433]\n", + " PeriodicSite: S (14.1, 19.41, 18.74) [0.6944, 0.9557, 0.9226]\n", + " PeriodicSite: S (8.713, 6.403, 1.114) [0.4289, 0.3152, 0.05482]\n", + " PeriodicSite: S (8.932, 6.281, 11.2) [0.4398, 0.3092, 0.5516]\n", + " PeriodicSite: S (9.361, 16.69, 1.454) [0.4608, 0.8214, 0.0716]\n", + " PeriodicSite: S (9.129, 16.3, 11.5) [0.4494, 0.8024, 0.566]\n", + " PeriodicSite: S (19.36, 6.354, 1.275) [0.9531, 0.3128, 0.06278]\n", + " PeriodicSite: S (19.54, 6.39, 11.84) [0.9619, 0.3146, 0.5828]\n", + " PeriodicSite: S (19.22, 16.55, 1.2) [0.9464, 0.8149, 0.05909]\n", + " PeriodicSite: S (19.12, 16.29, 11.22) [0.9414, 0.8021, 0.5526]\n", + " PeriodicSite: S (1.329, 6.211, 9.311) [0.06543, 0.3058, 0.4584]\n", + " PeriodicSite: S (1.381, 6.502, 19.37) [0.06799, 0.3201, 0.9538]\n", + " PeriodicSite: S (1.192, 16.09, 8.888) [0.0587, 0.792, 0.4376]\n", + " PeriodicSite: S (1.291, 16.39, 19.37) [0.06355, 0.8071, 0.9537]\n", + " PeriodicSite: S (11.4, 6.474, 8.904) [0.5612, 0.3187, 0.4383]\n", + " PeriodicSite: S (11.35, 6.275, 19.24) [0.559, 0.3089, 0.9471]\n", + " PeriodicSite: S (11.58, 16.65, 9.394) [0.5699, 0.8195, 0.4625]\n", + " PeriodicSite: S (11.49, 16.84, 19.02) [0.5657, 0.8288, 0.9363]\n", + " PeriodicSite: S (5.852, 8.74, 1.629) [0.2881, 0.4303, 0.08021]\n", + " PeriodicSite: S (6.334, 8.781, 11.15) [0.3119, 0.4323, 0.5488]\n", + " PeriodicSite: S (6.199, 18.84, 0.7919) [0.3052, 0.9275, 0.03899]\n", + " PeriodicSite: S (6.126, 19.05, 11.35) [0.3016, 0.9377, 0.5589]\n", + " PeriodicSite: S (16.43, 8.703, 1.106) [0.8089, 0.4285, 0.05445]\n", + " PeriodicSite: S (16.37, 9.063, 11.08) [0.806, 0.4462, 0.5456]\n", + " PeriodicSite: S (16.58, 19.08, 0.5931) [0.8161, 0.9392, 0.0292]\n", + " PeriodicSite: S (16.58, 19.26, 11.3) [0.8163, 0.9484, 0.5564]\n", + " PeriodicSite: S (7.242, 7.399, 17.48) [0.3565, 0.3643, 0.8604]\n", + " PeriodicSite: S (7.663, 17.55, 7.969) [0.3772, 0.8641, 0.3923]\n", + " PeriodicSite: S (17.5, 7.513, 7.135) [0.8614, 0.3699, 0.3513]\n", + " PeriodicSite: S (17.67, 17.92, 7.554) [0.8698, 0.8821, 0.3719]\n", + " PeriodicSite: P (5.214, 20.19, 20.02) [0.2567, 0.9937, 0.9857]\n", + " PeriodicSite: P (5.149, 0.1079, 10.09) [0.2535, 0.005312, 0.4966]\n", + " PeriodicSite: P (4.978, 10.01, 0.4229) [0.2451, 0.4926, 0.02082]\n", + " PeriodicSite: P (5.054, 10.1, 10.34) [0.2488, 0.4971, 0.509]\n", + " PeriodicSite: P (15.38, 0.1425, 20.05) [0.7574, 0.007012, 0.9872]\n", + " PeriodicSite: P (15.21, 0.04484, 10.24) [0.749, 0.002201, 0.5041]\n", + " PeriodicSite: P (15.25, 9.956, 0.05202) [0.7508, 0.4902, 0.002566]\n", + " PeriodicSite: P (15.3, 10.2, 9.832) [0.7532, 0.5021, 0.484]\n", + " PeriodicSite: P (5.1, 4.933, 5.311) [0.2511, 0.2429, 0.2614]\n", + " PeriodicSite: P (4.871, 5.013, 15.25) [0.2398, 0.2468, 0.7508]\n", + " PeriodicSite: P (5.209, 15.27, 5.219) [0.2565, 0.7517, 0.2569]\n", + " PeriodicSite: P (5.047, 15.38, 15.33) [0.2485, 0.7573, 0.7545]\n", + " PeriodicSite: P (15.28, 5.023, 4.823) [0.7525, 0.2473, 0.2374]\n", + " PeriodicSite: P (15.11, 5.353, 15.57) [0.7438, 0.2636, 0.7666]\n", + " PeriodicSite: P (14.89, 15.49, 4.971) [0.7329, 0.7623, 0.2447]\n", + " PeriodicSite: P (15.41, 14.91, 15.45) [0.7587, 0.7342, 0.7608]\n", + " PeriodicSite: P (0.01692, 20.16, 5.009) [0.0008251, 0.9924, 0.2466]\n", + " PeriodicSite: P (19.94, 0.04099, 15.05) [0.9816, 0.00201, 0.7408]\n", + " PeriodicSite: P (0.1564, 10.18, 5.07) [0.007697, 0.5013, 0.2496]\n", + " PeriodicSite: P (0.08691, 10.45, 15.18) [0.004278, 0.5145, 0.7475]\n", + " PeriodicSite: P (9.926, 20.09, 5.079) [0.4887, 0.9891, 0.2501]\n", + " PeriodicSite: P (10.33, 0.1048, 15.2) [0.5087, 0.005154, 0.7483]\n", + " PeriodicSite: P (9.813, 10.38, 4.847) [0.4831, 0.5113, 0.2386]\n", + " PeriodicSite: P (9.651, 9.86, 15.22) [0.4752, 0.4854, 0.7494]\n", + " PeriodicSite: P (0.1418, 5.067, 0.01404) [0.006977, 0.2494, 0.0006914]\n", + " PeriodicSite: P (0.004904, 5.195, 10.48) [0.0002419, 0.2557, 0.5158]\n", + " PeriodicSite: P (0.009692, 15.15, 0.1635) [0.0004702, 0.7458, 0.008049]\n", + " PeriodicSite: P (20.3, 14.93, 10.09) [0.9995, 0.7351, 0.4969]\n", + " PeriodicSite: P (10.05, 5.134, 0.1245) [0.4949, 0.2528, 0.006134]\n", + " PeriodicSite: P (10.18, 5.229, 9.905) [0.5011, 0.2574, 0.4876]\n", + " PeriodicSite: P (10.38, 15.6, 0.07461) [0.5112, 0.7682, 0.003677]\n", + " PeriodicSite: P (10.3, 15.13, 10.21) [0.507, 0.7448, 0.5025],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.467, 5.328, 3.441) [0.07223, 0.2623, 0.1694]\n", + " PeriodicSite: Li (1.777, 2.631, 15.3) [0.08748, 0.1295, 0.7534]\n", + " PeriodicSite: Li (0.482, 11.09, 8.001) [0.02373, 0.5462, 0.3939]\n", + " PeriodicSite: Li (0.4097, 13.57, 17.54) [0.02017, 0.6683, 0.8633]\n", + " PeriodicSite: Li (14.87, 1.118, 7.009) [0.7323, 0.05501, 0.3451]\n", + " PeriodicSite: Li (10.85, 3.048, 16.46) [0.534, 0.1501, 0.8103]\n", + " PeriodicSite: Li (16.92, 12.02, 5.533) [0.8332, 0.5917, 0.2724]\n", + " PeriodicSite: Li (17.59, 8.428, 15.18) [0.8661, 0.4149, 0.7473]\n", + " PeriodicSite: Li (4.311, 4.662, 8.346) [0.2122, 0.2295, 0.4109]\n", + " PeriodicSite: Li (2.042, 0.5732, 19.34) [0.1005, 0.02822, 0.9519]\n", + " PeriodicSite: Li (2.962, 8.194, 5.141) [0.1458, 0.4034, 0.2531]\n", + " PeriodicSite: Li (6.476, 9.768, 17.52) [0.3188, 0.4809, 0.8623]\n", + " PeriodicSite: Li (12.27, 4.017, 6.156) [0.6039, 0.1978, 0.3031]\n", + " PeriodicSite: Li (14.58, 3.86, 1.488) [0.7178, 0.19, 0.07328]\n", + " PeriodicSite: Li (12.07, 10.19, 11.88) [0.594, 0.5019, 0.5847]\n", + " PeriodicSite: Li (9.786, 19.54, 17.92) [0.4818, 0.9619, 0.8822]\n", + " PeriodicSite: Li (4.847, 1.273, 7.019) [0.2386, 0.06266, 0.3455]\n", + " PeriodicSite: Li (3.001, 18.99, 15.12) [0.1478, 0.9347, 0.7443]\n", + " PeriodicSite: Li (3.58, 10.22, 7.117) [0.1763, 0.5034, 0.3504]\n", + " PeriodicSite: Li (6.041, 10.67, 12.94) [0.2974, 0.5255, 0.6372]\n", + " PeriodicSite: Li (12.27, 0.8445, 9.297) [0.6039, 0.04157, 0.4577]\n", + " PeriodicSite: Li (11.1, 2.149, 19.57) [0.5465, 0.1058, 0.9635]\n", + " PeriodicSite: Li (12.99, 14.72, 8.762) [0.6394, 0.7248, 0.4313]\n", + " PeriodicSite: Li (12.21, 12.03, 20.02) [0.6011, 0.5925, 0.9857]\n", + " PeriodicSite: Li (1.927, 4.412, 6.018) [0.09486, 0.2172, 0.2963]\n", + " PeriodicSite: Li (0.186, 2.165, 17.77) [0.009159, 0.1066, 0.8746]\n", + " PeriodicSite: Li (0.3933, 13.92, 7.21) [0.01936, 0.6854, 0.355]\n", + " PeriodicSite: Li (4.35, 14.49, 18.44) [0.2142, 0.7132, 0.9077]\n", + " PeriodicSite: Li (13.01, 1.414, 5.372) [0.6403, 0.06959, 0.2645]\n", + " PeriodicSite: Li (13.9, 0.9438, 16.89) [0.6844, 0.04646, 0.8317]\n", + " PeriodicSite: Li (11.35, 12.34, 9.317) [0.5586, 0.6077, 0.4587]\n", + " PeriodicSite: Li (15.92, 17.64, 18.97) [0.7837, 0.8682, 0.934]\n", + " PeriodicSite: Li (7.387, 0.7368, 4.743) [0.3637, 0.03627, 0.2335]\n", + " PeriodicSite: Li (0.5441, 17.82, 0.6039) [0.02678, 0.8772, 0.02973]\n", + " PeriodicSite: Li (2.903, 14.43, 9.46) [0.1429, 0.7105, 0.4657]\n", + " PeriodicSite: Li (1.837, 16.47, 15.03) [0.09044, 0.8107, 0.74]\n", + " PeriodicSite: Li (14.97, 4.086, 7.841) [0.737, 0.2011, 0.386]\n", + " PeriodicSite: Li (14.93, 3.468, 18.4) [0.7351, 0.1707, 0.9057]\n", + " PeriodicSite: Li (16.04, 15.72, 7.998) [0.7896, 0.7737, 0.3937]\n", + " PeriodicSite: Li (10.22, 12.14, 17.93) [0.5032, 0.5977, 0.883]\n", + " PeriodicSite: Li (4.42, 1.719, 3.896) [0.2176, 0.08464, 0.1918]\n", + " PeriodicSite: Li (4.164, 0.5443, 16.95) [0.205, 0.0268, 0.8346]\n", + " PeriodicSite: Li (3.045, 12.5, 5.584) [0.1499, 0.6154, 0.2749]\n", + " PeriodicSite: Li (19.72, 13.34, 3.522) [0.9707, 0.6567, 0.1734]\n", + " PeriodicSite: Li (10.33, 2.874, 7.652) [0.5087, 0.1415, 0.3767]\n", + " PeriodicSite: Li (16.87, 0.09653, 16.81) [0.8304, 0.004746, 0.8275]\n", + " PeriodicSite: Li (15.1, 12.02, 3.556) [0.7432, 0.5915, 0.1751]\n", + " PeriodicSite: Li (14.94, 9.357, 17.04) [0.7356, 0.4607, 0.8388]\n", + " PeriodicSite: Li (3.451, 12.15, 15.41) [0.1699, 0.5979, 0.7586]\n", + " PeriodicSite: Li (2.332, 11.14, 9.84) [0.1148, 0.5485, 0.4845]\n", + " PeriodicSite: Li (0.643, 17.07, 3.679) [0.03165, 0.8404, 0.1811]\n", + " PeriodicSite: Li (1.914, 1.359, 9.944) [0.09423, 0.06689, 0.4896]\n", + " PeriodicSite: Li (12.27, 5.49, 3.38) [0.6042, 0.2703, 0.1664]\n", + " PeriodicSite: Li (12.2, 6.511, 14.69) [0.6006, 0.3205, 0.7234]\n", + " PeriodicSite: Li (11.89, 13.38, 5.73) [0.5852, 0.6589, 0.2821]\n", + " PeriodicSite: Li (13.23, 19.9, 14.14) [0.6512, 0.9799, 0.696]\n", + " PeriodicSite: Li (3.323, 6.65, 0.6335) [0.1636, 0.3274, 0.03119]\n", + " PeriodicSite: Li (2.895, 5.296, 11.13) [0.1425, 0.2607, 0.548]\n", + " PeriodicSite: Li (7.25, 16.96, 19.85) [0.3569, 0.8351, 0.9773]\n", + " PeriodicSite: Li (5.54, 18.05, 16.12) [0.2727, 0.8887, 0.7935]\n", + " PeriodicSite: Li (14.93, 7.059, 1.286) [0.735, 0.3475, 0.06333]\n", + " PeriodicSite: Li (10.39, 8.261, 12.44) [0.5117, 0.4067, 0.6122]\n", + " PeriodicSite: Li (13.16, 18.51, 4.689) [0.6477, 0.9115, 0.2308]\n", + " PeriodicSite: Li (10.74, 16.57, 13.36) [0.5286, 0.8156, 0.658]\n", + " PeriodicSite: Li (3.311, 9.909, 17.49) [0.163, 0.4878, 0.8612]\n", + " PeriodicSite: Li (5.005, 7.053, 11.91) [0.2464, 0.3472, 0.5864]\n", + " PeriodicSite: Li (4.798, 19.43, 2.652) [0.2362, 0.9566, 0.1305]\n", + " PeriodicSite: Li (3.186, 17.35, 10.58) [0.1568, 0.8544, 0.5207]\n", + " PeriodicSite: Li (10.99, 8.064, 0.641) [0.541, 0.397, 0.03156]\n", + " PeriodicSite: Li (13.01, 5.136, 12.15) [0.6405, 0.2529, 0.5984]\n", + " PeriodicSite: Li (11.55, 16.22, 3.339) [0.5687, 0.7983, 0.1644]\n", + " PeriodicSite: Li (13.54, 15.17, 12.02) [0.6665, 0.7467, 0.5916]\n", + " PeriodicSite: Li (0.5572, 8.418, 1.791) [0.02743, 0.4144, 0.0882]\n", + " PeriodicSite: Li (16.74, 5.577, 11.57) [0.8241, 0.2746, 0.5697]\n", + " PeriodicSite: Li (3.514, 17.86, 4.478) [0.173, 0.8793, 0.2205]\n", + " PeriodicSite: Li (20.28, 18.59, 11.68) [0.9986, 0.915, 0.575]\n", + " PeriodicSite: Li (9.65, 7.351, 4.49) [0.4751, 0.3619, 0.221]\n", + " PeriodicSite: Li (13.06, 9.519, 14.79) [0.643, 0.4686, 0.7281]\n", + " PeriodicSite: Li (14.33, 16.12, 2.244) [0.7057, 0.7937, 0.1105]\n", + " PeriodicSite: Li (11.79, 15.25, 16.67) [0.5805, 0.7507, 0.8209]\n", + " PeriodicSite: Li (6.839, 8.128, 5.015) [0.3367, 0.4002, 0.2469]\n", + " PeriodicSite: Li (20.1, 12.27, 12.12) [0.9894, 0.604, 0.5967]\n", + " PeriodicSite: Li (17.97, 16.19, 5.318) [0.8845, 0.797, 0.2618]\n", + " PeriodicSite: Li (3.911, 19.45, 12.61) [0.1925, 0.9577, 0.621]\n", + " PeriodicSite: Li (17.24, 10.24, 3.255) [0.8486, 0.504, 0.1603]\n", + " PeriodicSite: Li (13.28, 7.234, 10.63) [0.6537, 0.3561, 0.5234]\n", + " PeriodicSite: Li (12.69, 18.53, 0.1657) [0.6246, 0.9121, 0.008163]\n", + " PeriodicSite: Li (13.92, 17.44, 10.58) [0.6852, 0.8585, 0.521]\n", + " PeriodicSite: Li (3.404, 3.465, 0.05993) [0.1676, 0.1706, 0.002952]\n", + " PeriodicSite: Li (2.925, 9.722, 13.97) [0.144, 0.4786, 0.6877]\n", + " PeriodicSite: Li (1.907, 20.11, 2.096) [0.09387, 0.9899, 0.1032]\n", + " PeriodicSite: Li (0.5924, 16.13, 12.76) [0.02916, 0.7943, 0.6281]\n", + " PeriodicSite: Li (13.15, 9.928, 3.593) [0.6476, 0.4888, 0.1769]\n", + " PeriodicSite: Li (15.04, 8.271, 13.51) [0.7404, 0.4072, 0.6649]\n", + " PeriodicSite: Li (15.23, 18.95, 2.653) [0.75, 0.9329, 0.1306]\n", + " PeriodicSite: Li (19.44, 3.971, 13.45) [0.9571, 0.1955, 0.662]\n", + " PeriodicSite: Li (9.211, 3.696, 2.974) [0.4535, 0.1819, 0.1464]\n", + " PeriodicSite: Li (9.513, 1.267, 12.56) [0.4683, 0.06238, 0.6183]\n", + " PeriodicSite: Li (6.707, 11.2, 4.533) [0.3302, 0.5516, 0.2232]\n", + " PeriodicSite: Li (6.773, 11.9, 15.29) [0.3335, 0.586, 0.7529]\n", + " PeriodicSite: Li (19.09, 2.948, 4.724) [0.94, 0.1451, 0.2326]\n", + " PeriodicSite: Li (12.74, 4.377, 9.105) [0.6273, 0.2155, 0.4482]\n", + " PeriodicSite: Li (18.37, 11.62, 0.8295) [0.9043, 0.572, 0.04084]\n", + " PeriodicSite: Li (17.73, 10.91, 13.97) [0.8727, 0.5372, 0.688]\n", + " PeriodicSite: Li (6.08, 18.18, 5.728) [0.2993, 0.8952, 0.282]\n", + " PeriodicSite: Li (8.308, 3.116, 14.63) [0.409, 0.1534, 0.7205]\n", + " PeriodicSite: Li (6.672, 13.43, 19.87) [0.3284, 0.661, 0.9783]\n", + " PeriodicSite: Li (9.352, 13.93, 13.22) [0.4604, 0.6859, 0.6507]\n", + " PeriodicSite: Li (12.8, 0.2847, 2.825) [0.6301, 0.01401, 0.1391]\n", + " PeriodicSite: Li (18.77, 2.489, 11.26) [0.9243, 0.1225, 0.5545]\n", + " PeriodicSite: Li (17.07, 15.09, 2.296) [0.8406, 0.7427, 0.113]\n", + " PeriodicSite: Li (16.91, 15.11, 12.32) [0.8325, 0.7438, 0.6066]\n", + " PeriodicSite: Li (7.913, 5.272, 6.51) [0.3896, 0.2596, 0.3205]\n", + " PeriodicSite: Li (7.043, 0.2386, 12.89) [0.3467, 0.01174, 0.6344]\n", + " PeriodicSite: Li (10.13, 12.55, 1.861) [0.4986, 0.6176, 0.09163]\n", + " PeriodicSite: Li (5.252, 13.53, 11.99) [0.2585, 0.6663, 0.5902]\n", + " PeriodicSite: Li (20.25, 2.295, 2.039) [0.9968, 0.113, 0.1004]\n", + " PeriodicSite: Li (1.296, 8.15, 10.63) [0.0638, 0.4013, 0.5232]\n", + " PeriodicSite: Li (15.29, 13.03, 0.8595) [0.7528, 0.6413, 0.04232]\n", + " PeriodicSite: Li (15.34, 12.05, 12.74) [0.7554, 0.5931, 0.6273]\n", + " PeriodicSite: Li (2.502, 0.3318, 6.221) [0.1232, 0.01633, 0.3063]\n", + " PeriodicSite: Li (4.749, 1.924, 14.27) [0.2338, 0.09473, 0.7024]\n", + " PeriodicSite: Li (5.332, 13.51, 2.078) [0.2625, 0.6651, 0.1023]\n", + " PeriodicSite: Li (8.482, 7.085, 15.68) [0.4176, 0.3488, 0.7721]\n", + " PeriodicSite: Li (17.84, 4.784, 2.548) [0.8784, 0.2355, 0.1255]\n", + " PeriodicSite: Li (16.43, 20.25, 13.04) [0.8089, 0.9968, 0.6422]\n", + " PeriodicSite: Li (13.44, 14.95, 19.68) [0.6618, 0.736, 0.969]\n", + " PeriodicSite: Li (17.91, 12.5, 10.42) [0.8818, 0.6155, 0.5132]\n", + " PeriodicSite: Li (6.888, 3.384, 0.3474) [0.3391, 0.1666, 0.0171]\n", + " PeriodicSite: Li (5.488, 3.296, 11.35) [0.2702, 0.1623, 0.5587]\n", + " PeriodicSite: Li (7.91, 10.73, 1.5) [0.3894, 0.5285, 0.07383]\n", + " PeriodicSite: Li (8.255, 11.08, 10.69) [0.4064, 0.5454, 0.5262]\n", + " PeriodicSite: Li (15.87, 1.939, 3.919) [0.7811, 0.09543, 0.1929]\n", + " PeriodicSite: Li (15.71, 2.964, 10.97) [0.7736, 0.1459, 0.5399]\n", + " PeriodicSite: Li (1.207, 11.83, 0.0267) [0.05943, 0.5826, 0.001316]\n", + " PeriodicSite: Li (18.57, 13.56, 14.65) [0.914, 0.6676, 0.7212]\n", + " PeriodicSite: Li (8.43, 0.5077, 1.32) [0.415, 0.02499, 0.06498]\n", + " PeriodicSite: Li (7.957, 2.908, 10.19) [0.3917, 0.1432, 0.5015]\n", + " PeriodicSite: Li (8.206, 14.11, 4.42) [0.404, 0.6946, 0.2176]\n", + " PeriodicSite: Li (3.95, 16.06, 12.62) [0.1944, 0.7906, 0.6214]\n", + " PeriodicSite: Li (17.27, 3.367, 0.1134) [0.85, 0.1658, 0.00559]\n", + " PeriodicSite: Li (1.8, 6.248, 14.42) [0.08861, 0.3076, 0.71]\n", + " PeriodicSite: Li (4.937, 12.9, 8.025) [0.2431, 0.635, 0.3951]\n", + " PeriodicSite: Li (15.12, 12.93, 9.763) [0.7444, 0.6363, 0.4807]\n", + " PeriodicSite: Li (13.85, 10.05, 6.567) [0.6818, 0.4945, 0.3233]\n", + " PeriodicSite: Li (5.388, 7.953, 15.87) [0.2653, 0.3915, 0.7812]\n", + " PeriodicSite: Li (7.089, 16.64, 10.43) [0.349, 0.8191, 0.5137]\n", + " PeriodicSite: Li (4.192, 17.14, 0.3471) [0.2064, 0.8441, 0.01709]\n", + " PeriodicSite: Li (17.06, 9.879, 7.349) [0.8397, 0.4863, 0.3618]\n", + " PeriodicSite: Li (2.587, 4.735, 17.78) [0.1274, 0.2331, 0.8752]\n", + " PeriodicSite: Li (17.13, 19.58, 5.131) [0.8433, 0.9638, 0.2526]\n", + " PeriodicSite: Li (20.0, 16.83, 17.68) [0.9847, 0.8287, 0.8705]\n", + " PeriodicSite: Li (6.193, 9.865, 7.229) [0.3049, 0.4857, 0.3559]\n", + " PeriodicSite: Li (7.333, 5.407, 18.99) [0.361, 0.2662, 0.935]\n", + " PeriodicSite: Li (8.128, 20.01, 8.182) [0.4001, 0.985, 0.4028]\n", + " PeriodicSite: Li (7.837, 15.8, 16.79) [0.3858, 0.7779, 0.8266]\n", + " PeriodicSite: Li (18.82, 7.377, 9.502) [0.9265, 0.3632, 0.4678]\n", + " PeriodicSite: Li (17.45, 6.701, 19.75) [0.8593, 0.3299, 0.9721]\n", + " PeriodicSite: Li (18.61, 19.6, 8.253) [0.9164, 0.9651, 0.4063]\n", + " PeriodicSite: Li (18.46, 17.53, 15.44) [0.9086, 0.8629, 0.7601]\n", + " PeriodicSite: Li (7.042, 6.752, 9.368) [0.3467, 0.3324, 0.4612]\n", + " PeriodicSite: Li (5.132, 3.242, 18.16) [0.2527, 0.1596, 0.8942]\n", + " PeriodicSite: Li (9.536, 18.13, 9.922) [0.4694, 0.8923, 0.4885]\n", + " PeriodicSite: Li (14.55, 12.64, 15.95) [0.7162, 0.6225, 0.7852]\n", + " PeriodicSite: Li (19.74, 7.565, 6.039) [0.9716, 0.3724, 0.2973]\n", + " PeriodicSite: Li (18.57, 5.098, 16.64) [0.9142, 0.251, 0.8192]\n", + " PeriodicSite: Li (16.82, 17.3, 9.657) [0.8278, 0.8517, 0.4754]\n", + " PeriodicSite: Li (16.75, 15.05, 18.51) [0.8249, 0.741, 0.9114]\n", + " PeriodicSite: Li (10.08, 8.237, 7.89) [0.4961, 0.4055, 0.3884]\n", + " PeriodicSite: Li (6.141, 6.306, 1.723) [0.3023, 0.3104, 0.08482]\n", + " PeriodicSite: Li (5.172, 17.09, 8.633) [0.2546, 0.8411, 0.425]\n", + " PeriodicSite: Li (7.482, 15.15, 1.934) [0.3683, 0.7456, 0.09521]\n", + " PeriodicSite: Li (15.8, 7.212, 8.752) [0.7778, 0.3551, 0.4309]\n", + " PeriodicSite: Li (0.03003, 8.266, 18.74) [0.00148, 0.407, 0.9224]\n", + " PeriodicSite: Li (15.29, 18.53, 6.711) [0.7529, 0.9125, 0.3304]\n", + " PeriodicSite: Li (14.88, 18.21, 15.67) [0.7326, 0.8966, 0.7714]\n", + " PeriodicSite: Li (7.854, 5.091, 12.54) [0.3867, 0.2506, 0.6173]\n", + " PeriodicSite: Li (5.067, 6.815, 18.61) [0.2495, 0.3355, 0.9162]\n", + " PeriodicSite: Li (9.269, 17.33, 6.061) [0.4563, 0.8532, 0.2984]\n", + " PeriodicSite: Li (10.61, 18.64, 2.182) [0.5223, 0.9177, 0.1074]\n", + " PeriodicSite: Li (16.54, 7.791, 5.056) [0.8142, 0.3835, 0.2489]\n", + " PeriodicSite: Li (13.84, 6.173, 19.18) [0.6815, 0.3039, 0.9441]\n", + " PeriodicSite: Li (19.81, 16.78, 7.065) [0.9751, 0.8261, 0.3478]\n", + " PeriodicSite: Li (17.98, 0.1473, 1.791) [0.8854, 0.007245, 0.08818]\n", + " PeriodicSite: Li (3.948, 10.13, 3.375) [0.1943, 0.4986, 0.1661]\n", + " PeriodicSite: Li (9.29, 7.982, 17.91) [0.4573, 0.393, 0.8819]\n", + " PeriodicSite: Li (8.161, 15.33, 7.332) [0.4018, 0.7546, 0.361]\n", + " PeriodicSite: Li (7.257, 0.074, 15.76) [0.3573, 0.003641, 0.7758]\n", + " PeriodicSite: Li (18.08, 5.278, 7.764) [0.8899, 0.2599, 0.3822]\n", + " PeriodicSite: Li (18.1, 10.15, 18.06) [0.8912, 0.4997, 0.8891]\n", + " PeriodicSite: Li (2.964, 15.54, 1.412) [0.1459, 0.7652, 0.06951]\n", + " PeriodicSite: Li (15.66, 3.009, 14.7) [0.7709, 0.1481, 0.7238]\n", + " PeriodicSite: Cl (7.538, 12.51, 12.55) [0.3711, 0.6157, 0.6178]\n", + " PeriodicSite: Cl (2.543, 12.51, 18.36) [0.1252, 0.6161, 0.9041]\n", + " PeriodicSite: Cl (13.05, 17.3, 12.83) [0.6427, 0.8517, 0.6314]\n", + " PeriodicSite: Cl (18.2, 7.743, 17.54) [0.8962, 0.3812, 0.8634]\n", + " PeriodicSite: Cl (7.376, 2.142, 2.439) [0.3631, 0.1055, 0.1201]\n", + " PeriodicSite: Cl (7.468, 7.663, 7.267) [0.3677, 0.3773, 0.3578]\n", + " PeriodicSite: Cl (13.13, 12.58, 7.406) [0.6462, 0.6193, 0.3646]\n", + " PeriodicSite: Cl (2.641, 7.478, 2.684) [0.13, 0.3681, 0.1321]\n", + " PeriodicSite: Cl (2.922, 7.741, 12.76) [0.1438, 0.3811, 0.6279]\n", + " PeriodicSite: Cl (12.68, 13.04, 17.92) [0.6245, 0.642, 0.8821]\n", + " PeriodicSite: Cl (17.84, 17.22, 17.77) [0.8784, 0.8478, 0.8749]\n", + " PeriodicSite: Cl (2.591, 2.536, 7.763) [0.1275, 0.1249, 0.3822]\n", + " PeriodicSite: Cl (12.65, 2.87, 18.08) [0.6229, 0.1413, 0.8902]\n", + " PeriodicSite: Cl (12.1, 7.615, 2.675) [0.5956, 0.3749, 0.1317]\n", + " PeriodicSite: Cl (17.29, 3.115, 12.74) [0.8511, 0.1533, 0.6274]\n", + " PeriodicSite: Cl (7.497, 18.13, 17.56) [0.3691, 0.8925, 0.8646]\n", + " PeriodicSite: Cl (20.28, 0.02946, 0.3701) [0.9984, 0.001441, 0.01822]\n", + " PeriodicSite: Cl (19.85, 0.2563, 10.17) [0.9771, 0.01261, 0.5005]\n", + " PeriodicSite: Cl (19.91, 9.993, 0.0727) [0.9801, 0.492, 0.003586]\n", + " PeriodicSite: Cl (0.2716, 10.22, 10.33) [0.01337, 0.503, 0.5084]\n", + " PeriodicSite: Cl (10.78, 20.1, 20.22) [0.5309, 0.9895, 0.9952]\n", + " PeriodicSite: Cl (9.876, 0.09869, 10.44) [0.4862, 0.004855, 0.514]\n", + " PeriodicSite: Cl (10.03, 11.06, 20.2) [0.4937, 0.5447, 0.9946]\n", + " PeriodicSite: Cl (10.1, 9.935, 10.09) [0.4971, 0.4891, 0.4967]\n", + " PeriodicSite: Cl (20.22, 5.253, 5.18) [0.9955, 0.2586, 0.255]\n", + " PeriodicSite: Cl (0.2139, 4.672, 15.45) [0.01053, 0.23, 0.7605]\n", + " PeriodicSite: Cl (20.09, 15.11, 5.296) [0.9888, 0.7438, 0.2607]\n", + " PeriodicSite: Cl (19.8, 15.41, 15.64) [0.9746, 0.7586, 0.77]\n", + " PeriodicSite: Cl (10.28, 4.874, 5.135) [0.5059, 0.24, 0.2528]\n", + " PeriodicSite: Cl (9.847, 4.935, 15.12) [0.4848, 0.243, 0.7446]\n", + " PeriodicSite: Cl (10.04, 15.26, 5.523) [0.494, 0.7514, 0.2719]\n", + " PeriodicSite: Cl (9.966, 15.0, 15.26) [0.4906, 0.7383, 0.7513]\n", + " PeriodicSite: S (4.896, 0.004828, 5.086) [0.2411, 0.0002359, 0.2504]\n", + " PeriodicSite: S (4.97, 20.05, 14.75) [0.2447, 0.9872, 0.7264]\n", + " PeriodicSite: S (4.815, 9.776, 5.337) [0.237, 0.4813, 0.2627]\n", + " PeriodicSite: S (5.066, 10.21, 15.47) [0.2494, 0.5029, 0.7615]\n", + " PeriodicSite: S (14.84, 20.23, 4.705) [0.7307, 0.9957, 0.2316]\n", + " PeriodicSite: S (15.07, 0.2434, 15.07) [0.7418, 0.01198, 0.7421]\n", + " PeriodicSite: S (15.54, 10.09, 5.043) [0.7651, 0.4966, 0.2483]\n", + " PeriodicSite: S (15.51, 10.17, 14.93) [0.7638, 0.5009, 0.7352]\n", + " PeriodicSite: S (5.31, 4.97, 19.91) [0.2614, 0.2447, 0.9804]\n", + " PeriodicSite: S (5.183, 5.363, 10.34) [0.2552, 0.264, 0.5093]\n", + " PeriodicSite: S (5.439, 15.22, 0.1375) [0.2677, 0.7491, 0.006771]\n", + " PeriodicSite: S (4.966, 15.3, 10.41) [0.2445, 0.7533, 0.5124]\n", + " PeriodicSite: S (15.58, 5.295, 0.157) [0.7672, 0.2606, 0.007736]\n", + " PeriodicSite: S (14.84, 5.351, 9.961) [0.7306, 0.2634, 0.4904]\n", + " PeriodicSite: S (15.72, 15.32, 0.3927) [0.774, 0.7543, 0.01934]\n", + " PeriodicSite: S (15.15, 15.3, 10.42) [0.7461, 0.7534, 0.5128]\n", + " PeriodicSite: S (9.071, 4.397, 8.677) [0.4466, 0.2165, 0.4272]\n", + " PeriodicSite: S (9.086, 3.621, 19.26) [0.4473, 0.1782, 0.9484]\n", + " PeriodicSite: S (9.6, 13.89, 8.89) [0.4726, 0.6839, 0.4377]\n", + " PeriodicSite: S (8.947, 14.78, 19.0) [0.4405, 0.7276, 0.9356]\n", + " PeriodicSite: S (18.6, 4.18, 9.744) [0.9159, 0.2058, 0.4797]\n", + " PeriodicSite: S (19.04, 4.231, 19.06) [0.9372, 0.2083, 0.9384]\n", + " PeriodicSite: S (19.07, 13.95, 8.911) [0.9388, 0.6869, 0.4387]\n", + " PeriodicSite: S (19.25, 13.82, 19.27) [0.9476, 0.6806, 0.9485]\n", + " PeriodicSite: S (3.788, 1.137, 1.148) [0.1865, 0.05595, 0.05653]\n", + " PeriodicSite: S (3.972, 1.194, 11.38) [0.1955, 0.0588, 0.5601]\n", + " PeriodicSite: S (3.827, 11.44, 1.361) [0.1884, 0.5633, 0.067]\n", + " PeriodicSite: S (4.237, 11.34, 11.48) [0.2086, 0.5585, 0.5652]\n", + " PeriodicSite: S (14.28, 1.276, 1.108) [0.7032, 0.06279, 0.05454]\n", + " PeriodicSite: S (13.98, 1.252, 11.43) [0.6881, 0.06165, 0.5626]\n", + " PeriodicSite: S (13.86, 11.11, 1.29) [0.6824, 0.5472, 0.06352]\n", + " PeriodicSite: S (13.96, 11.18, 11.13) [0.6871, 0.5503, 0.5477]\n", + " PeriodicSite: S (6.431, 0.9278, 8.987) [0.3166, 0.04568, 0.4424]\n", + " PeriodicSite: S (6.169, 1.163, 18.77) [0.3037, 0.05726, 0.924]\n", + " PeriodicSite: S (6.548, 11.19, 9.007) [0.3223, 0.5508, 0.4434]\n", + " PeriodicSite: S (6.447, 10.96, 19.42) [0.3174, 0.5398, 0.9562]\n", + " PeriodicSite: S (16.36, 1.23, 8.897) [0.8054, 0.06054, 0.438]\n", + " PeriodicSite: S (16.32, 1.676, 18.88) [0.8036, 0.08253, 0.9292]\n", + " PeriodicSite: S (16.51, 11.09, 9.206) [0.813, 0.5462, 0.4532]\n", + " PeriodicSite: S (16.04, 11.26, 19.11) [0.7896, 0.5541, 0.9406]\n", + " PeriodicSite: S (1.44, 4.003, 1.138) [0.07087, 0.1971, 0.05602]\n", + " PeriodicSite: S (0.7387, 3.855, 11.73) [0.03637, 0.1898, 0.5775]\n", + " PeriodicSite: S (1.09, 13.63, 1.55) [0.05365, 0.6709, 0.07633]\n", + " PeriodicSite: S (1.073, 14.33, 11.54) [0.05281, 0.7055, 0.5682]\n", + " PeriodicSite: S (11.12, 3.978, 1.302) [0.5472, 0.1958, 0.06409]\n", + " PeriodicSite: S (11.23, 3.846, 10.91) [0.5531, 0.1894, 0.537]\n", + " PeriodicSite: S (11.68, 14.31, 0.9807) [0.5748, 0.7046, 0.04828]\n", + " PeriodicSite: S (11.62, 13.72, 11.39) [0.5721, 0.6756, 0.5607]\n", + " PeriodicSite: S (2.553, 2.463, 18.07) [0.1257, 0.1213, 0.8895]\n", + " PeriodicSite: S (2.477, 12.72, 7.863) [0.122, 0.626, 0.3871]\n", + " PeriodicSite: S (12.93, 2.518, 7.634) [0.6368, 0.1239, 0.3758]\n", + " PeriodicSite: S (8.649, 9.277, 3.732) [0.4258, 0.4567, 0.1837]\n", + " PeriodicSite: S (8.446, 9.105, 13.74) [0.4158, 0.4482, 0.6763]\n", + " PeriodicSite: S (8.694, 19.2, 4.045) [0.428, 0.9453, 0.1991]\n", + " PeriodicSite: S (9.002, 19.44, 14.08) [0.4432, 0.9572, 0.6933]\n", + " PeriodicSite: S (19.36, 9.095, 3.912) [0.953, 0.4477, 0.1926]\n", + " PeriodicSite: S (19.56, 9.261, 13.96) [0.9631, 0.4559, 0.6874]\n", + " PeriodicSite: S (19.06, 18.95, 3.584) [0.9382, 0.933, 0.1765]\n", + " PeriodicSite: S (18.86, 19.18, 13.71) [0.9287, 0.9441, 0.6751]\n", + " PeriodicSite: S (3.687, 6.107, 6.36) [0.1815, 0.3007, 0.3131]\n", + " PeriodicSite: S (3.75, 6.11, 16.2) [0.1846, 0.3008, 0.7977]\n", + " PeriodicSite: S (4.135, 16.55, 6.343) [0.2035, 0.8149, 0.3123]\n", + " PeriodicSite: S (3.712, 16.39, 16.54) [0.1827, 0.8068, 0.8143]\n", + " PeriodicSite: S (13.9, 5.915, 6.17) [0.6844, 0.2912, 0.3038]\n", + " PeriodicSite: S (13.98, 6.924, 16.28) [0.6883, 0.3409, 0.8017]\n", + " PeriodicSite: S (13.88, 16.48, 6.52) [0.6835, 0.8112, 0.321]\n", + " PeriodicSite: S (14.06, 16.39, 16.63) [0.692, 0.807, 0.8185]\n", + " PeriodicSite: S (6.563, 5.584, 4.354) [0.3231, 0.2749, 0.2143]\n", + " PeriodicSite: S (6.286, 6.068, 14.01) [0.3095, 0.2987, 0.6896]\n", + " PeriodicSite: S (6.601, 16.34, 4.131) [0.325, 0.8045, 0.2034]\n", + " PeriodicSite: S (6.3, 16.41, 14.47) [0.3101, 0.808, 0.7126]\n", + " PeriodicSite: S (16.1, 5.999, 3.575) [0.7928, 0.2953, 0.176]\n", + " PeriodicSite: S (16.62, 6.351, 14.18) [0.8181, 0.3127, 0.6981]\n", + " PeriodicSite: S (16.08, 16.74, 4.022) [0.7914, 0.8243, 0.198]\n", + " PeriodicSite: S (16.47, 16.75, 14.18) [0.811, 0.8245, 0.6981]\n", + " PeriodicSite: S (1.1, 9.172, 6.677) [0.05413, 0.4516, 0.3287]\n", + " PeriodicSite: S (1.246, 9.281, 16.59) [0.06134, 0.4569, 0.8165]\n", + " PeriodicSite: S (1.082, 18.68, 5.8) [0.05324, 0.9197, 0.2855]\n", + " PeriodicSite: S (0.8085, 18.6, 16.09) [0.0398, 0.9157, 0.7923]\n", + " PeriodicSite: S (11.12, 9.01, 5.82) [0.5473, 0.4435, 0.2865]\n", + " PeriodicSite: S (10.66, 8.218, 16.06) [0.5246, 0.4046, 0.7909]\n", + " PeriodicSite: S (11.28, 19.37, 6.23) [0.5554, 0.9537, 0.3067]\n", + " PeriodicSite: S (11.54, 19.31, 16.26) [0.568, 0.9506, 0.8003]\n", + " PeriodicSite: S (2.828, 17.79, 2.312) [0.1392, 0.8761, 0.1138]\n", + " PeriodicSite: S (2.269, 17.75, 12.96) [0.1117, 0.8739, 0.6382]\n", + " PeriodicSite: S (12.77, 7.814, 12.99) [0.6285, 0.3847, 0.6395]\n", + " PeriodicSite: S (12.74, 18.2, 2.523) [0.6273, 0.896, 0.1242]\n", + " PeriodicSite: S (3.429, 3.813, 4.138) [0.1688, 0.1877, 0.2037]\n", + " PeriodicSite: S (3.424, 3.966, 13.71) [0.1686, 0.1952, 0.6749]\n", + " PeriodicSite: S (3.694, 14.23, 3.857) [0.1819, 0.7005, 0.1899]\n", + " PeriodicSite: S (4.098, 13.98, 14.18) [0.2017, 0.6883, 0.698]\n", + " PeriodicSite: S (13.69, 3.585, 3.939) [0.6738, 0.1765, 0.1939]\n", + " PeriodicSite: S (13.93, 4.433, 14.19) [0.6858, 0.2182, 0.6988]\n", + " PeriodicSite: S (13.75, 14.28, 3.852) [0.6768, 0.7031, 0.1897]\n", + " PeriodicSite: S (13.78, 14.17, 14.24) [0.6786, 0.6977, 0.7009]\n", + " PeriodicSite: S (8.938, 1.379, 6.267) [0.44, 0.06787, 0.3086]\n", + " PeriodicSite: S (9.068, 1.245, 16.59) [0.4464, 0.06131, 0.8168]\n", + " PeriodicSite: S (8.807, 11.61, 6.182) [0.4336, 0.5717, 0.3043]\n", + " PeriodicSite: S (8.707, 10.97, 16.53) [0.4287, 0.5399, 0.8139]\n", + " PeriodicSite: S (19.07, 0.5251, 6.222) [0.9387, 0.02584, 0.3063]\n", + " PeriodicSite: S (19.05, 1.001, 15.95) [0.9376, 0.04928, 0.7851]\n", + " PeriodicSite: S (18.99, 11.37, 6.373) [0.935, 0.56, 0.3138]\n", + " PeriodicSite: S (19.05, 11.64, 16.34) [0.9378, 0.5728, 0.8042]\n", + " PeriodicSite: S (1.26, 1.331, 4.146) [0.06204, 0.06555, 0.2041]\n", + " PeriodicSite: S (1.399, 0.6909, 13.87) [0.06887, 0.03402, 0.6831]\n", + " PeriodicSite: S (1.437, 11.4, 4.098) [0.07076, 0.5614, 0.2018]\n", + " PeriodicSite: S (1.338, 11.72, 14.19) [0.06586, 0.5772, 0.6985]\n", + " PeriodicSite: S (10.94, 1.267, 3.631) [0.5386, 0.06237, 0.1788]\n", + " PeriodicSite: S (11.51, 1.496, 13.93) [0.5667, 0.07366, 0.6856]\n", + " PeriodicSite: S (11.01, 11.63, 3.775) [0.5418, 0.5723, 0.1858]\n", + " PeriodicSite: S (11.12, 11.13, 14.2) [0.5477, 0.5478, 0.6991]\n", + " PeriodicSite: S (5.898, 3.667, 6.759) [0.2904, 0.1805, 0.3327]\n", + " PeriodicSite: S (5.898, 3.545, 16.01) [0.2904, 0.1745, 0.7882]\n", + " PeriodicSite: S (6.032, 13.82, 6.163) [0.297, 0.6802, 0.3034]\n", + " PeriodicSite: S (6.174, 13.94, 16.85) [0.304, 0.6863, 0.8294]\n", + " PeriodicSite: S (16.5, 3.602, 5.994) [0.8123, 0.1773, 0.2951]\n", + " PeriodicSite: S (16.1, 4.246, 16.57) [0.7928, 0.209, 0.8159]\n", + " PeriodicSite: S (16.36, 14.24, 6.119) [0.8057, 0.7012, 0.3012]\n", + " PeriodicSite: S (16.41, 13.94, 16.15) [0.808, 0.6865, 0.7949]\n", + " PeriodicSite: S (7.761, 2.816, 12.46) [0.3821, 0.1386, 0.6135]\n", + " PeriodicSite: S (7.579, 13.06, 2.535) [0.3731, 0.6432, 0.1248]\n", + " PeriodicSite: S (17.8, 2.527, 2.442) [0.8765, 0.1244, 0.1202]\n", + " PeriodicSite: S (17.57, 12.53, 2.752) [0.8651, 0.617, 0.1355]\n", + " PeriodicSite: S (17.77, 12.76, 12.75) [0.875, 0.628, 0.6275]\n", + " PeriodicSite: S (3.842, 9.035, 9.051) [0.1891, 0.4448, 0.4456]\n", + " PeriodicSite: S (3.553, 8.853, 19.55) [0.1749, 0.4358, 0.9625]\n", + " PeriodicSite: S (3.689, 19.4, 8.937) [0.1816, 0.9551, 0.44]\n", + " PeriodicSite: S (3.804, 18.95, 18.97) [0.1873, 0.9332, 0.9337]\n", + " PeriodicSite: S (14.03, 8.943, 8.822) [0.6905, 0.4403, 0.4343]\n", + " PeriodicSite: S (14.19, 8.582, 19.62) [0.6987, 0.4225, 0.9659]\n", + " PeriodicSite: S (13.83, 19.32, 8.708) [0.6807, 0.9509, 0.4287]\n", + " PeriodicSite: S (14.45, 19.42, 18.65) [0.7112, 0.9559, 0.9181]\n", + " PeriodicSite: S (8.556, 6.33, 0.9322) [0.4212, 0.3116, 0.04589]\n", + " PeriodicSite: S (9.043, 6.59, 11.09) [0.4452, 0.3245, 0.546]\n", + " PeriodicSite: S (9.349, 16.72, 1.533) [0.4603, 0.8232, 0.07548]\n", + " PeriodicSite: S (9.225, 15.97, 11.67) [0.4542, 0.7864, 0.5746]\n", + " PeriodicSite: S (19.38, 6.486, 1.344) [0.954, 0.3193, 0.06615]\n", + " PeriodicSite: S (19.34, 6.696, 11.82) [0.9519, 0.3296, 0.582]\n", + " PeriodicSite: S (19.51, 16.14, 1.552) [0.9603, 0.7948, 0.07643]\n", + " PeriodicSite: S (19.02, 16.49, 11.18) [0.9362, 0.8117, 0.5505]\n", + " PeriodicSite: S (0.882, 6.021, 9.127) [0.04342, 0.2964, 0.4493]\n", + " PeriodicSite: S (1.331, 6.332, 19.22) [0.06554, 0.3117, 0.9461]\n", + " PeriodicSite: S (1.153, 16.32, 8.717) [0.05674, 0.8033, 0.4292]\n", + " PeriodicSite: S (1.393, 15.8, 19.37) [0.06859, 0.7778, 0.9535]\n", + " PeriodicSite: S (11.55, 6.455, 8.939) [0.5686, 0.3178, 0.4401]\n", + " PeriodicSite: S (11.23, 6.362, 19.25) [0.5528, 0.3132, 0.9478]\n", + " PeriodicSite: S (11.59, 16.58, 9.296) [0.5703, 0.8163, 0.4576]\n", + " PeriodicSite: S (11.55, 16.79, 18.92) [0.5686, 0.8266, 0.9312]\n", + " PeriodicSite: S (6.089, 8.954, 1.606) [0.2998, 0.4408, 0.07906]\n", + " PeriodicSite: S (6.409, 8.906, 11.29) [0.3155, 0.4385, 0.5557]\n", + " PeriodicSite: S (6.391, 19.42, 0.8462) [0.3146, 0.9563, 0.04166]\n", + " PeriodicSite: S (6.004, 18.91, 11.37) [0.2956, 0.9311, 0.5596]\n", + " PeriodicSite: S (16.85, 9.074, 1.217) [0.8294, 0.4467, 0.05994]\n", + " PeriodicSite: S (16.27, 8.746, 11.46) [0.801, 0.4306, 0.5642]\n", + " PeriodicSite: S (16.72, 19.25, 0.5168) [0.8232, 0.9477, 0.02545]\n", + " PeriodicSite: S (16.1, 18.96, 11.16) [0.7924, 0.9336, 0.5492]\n", + " PeriodicSite: S (7.055, 7.483, 17.48) [0.3473, 0.3684, 0.8606]\n", + " PeriodicSite: S (7.864, 17.71, 8.02) [0.3871, 0.8718, 0.3948]\n", + " PeriodicSite: S (17.66, 7.611, 7.449) [0.8694, 0.3747, 0.3667]\n", + " PeriodicSite: S (17.5, 17.59, 7.269) [0.8618, 0.866, 0.3579]\n", + " PeriodicSite: P (4.913, 0.04566, 20.0) [0.2419, 0.002247, 0.9847]\n", + " PeriodicSite: P (5.071, 20.19, 10.17) [0.2497, 0.9939, 0.5007]\n", + " PeriodicSite: P (5.009, 10.12, 0.2288) [0.2466, 0.498, 0.01127]\n", + " PeriodicSite: P (5.266, 10.15, 10.13) [0.2593, 0.4998, 0.4988]\n", + " PeriodicSite: P (15.41, 0.2581, 19.97) [0.7585, 0.0127, 0.9831]\n", + " PeriodicSite: P (15.07, 20.24, 10.0) [0.7421, 0.9964, 0.4924]\n", + " PeriodicSite: P (15.34, 9.965, 0.0972) [0.7554, 0.4906, 0.00479]\n", + " PeriodicSite: P (15.18, 9.861, 10.23) [0.7473, 0.4855, 0.5034]\n", + " PeriodicSite: P (4.941, 4.741, 5.298) [0.2432, 0.2334, 0.2609]\n", + " PeriodicSite: P (4.996, 4.892, 15.0) [0.246, 0.2408, 0.7383]\n", + " PeriodicSite: P (5.136, 15.23, 5.033) [0.2528, 0.7498, 0.2478]\n", + " PeriodicSite: P (5.209, 15.22, 15.5) [0.2565, 0.7491, 0.763]\n", + " PeriodicSite: P (15.02, 4.803, 4.974) [0.7393, 0.2364, 0.2449]\n", + " PeriodicSite: P (15.16, 5.55, 15.36) [0.7465, 0.2732, 0.7561]\n", + " PeriodicSite: P (14.98, 15.4, 5.169) [0.7373, 0.7582, 0.2545]\n", + " PeriodicSite: P (15.24, 15.3, 15.26) [0.7502, 0.7533, 0.7515]\n", + " PeriodicSite: P (20.24, 20.07, 4.828) [0.9963, 0.9879, 0.2377]\n", + " PeriodicSite: P (20.24, 20.05, 14.91) [0.9967, 0.9872, 0.7343]\n", + " PeriodicSite: P (0.1251, 10.25, 5.218) [0.006154, 0.5046, 0.2569]\n", + " PeriodicSite: P (0.1585, 10.44, 15.36) [0.007804, 0.5142, 0.7564]\n", + " PeriodicSite: P (10.06, 0.03681, 4.973) [0.4953, 0.001808, 0.2448]\n", + " PeriodicSite: P (10.37, 0.3174, 15.12) [0.5104, 0.01562, 0.7444]\n", + " PeriodicSite: P (9.809, 10.46, 4.978) [0.4829, 0.5152, 0.2451]\n", + " PeriodicSite: P (9.687, 9.876, 15.11) [0.4769, 0.4862, 0.7438]\n", + " PeriodicSite: P (0.1059, 5.19, 0.001961) [0.005213, 0.2555, 9.7e-05]\n", + " PeriodicSite: P (20.07, 5.225, 10.64) [0.9882, 0.2572, 0.524]\n", + " PeriodicSite: P (0.1181, 14.85, 0.2855) [0.00581, 0.7312, 0.01406]\n", + " PeriodicSite: P (20.21, 15.28, 10.06) [0.9949, 0.7523, 0.4954]\n", + " PeriodicSite: P (9.989, 5.154, 0.07372) [0.4918, 0.2538, 0.003633]\n", + " PeriodicSite: P (10.25, 5.333, 10.09) [0.5045, 0.2625, 0.4967]\n", + " PeriodicSite: P (10.36, 15.63, 20.18) [0.51, 0.7693, 0.9934]\n", + " PeriodicSite: P (10.55, 15.11, 10.26) [0.5194, 0.7439, 0.5052],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.63, 5.553, 3.387) [0.08026, 0.2734, 0.1668]\n", + " PeriodicSite: Li (2.267, 2.628, 15.13) [0.1116, 0.1294, 0.7448]\n", + " PeriodicSite: Li (0.3465, 11.91, 8.311) [0.01705, 0.5864, 0.4091]\n", + " PeriodicSite: Li (0.4665, 13.27, 17.21) [0.02296, 0.6534, 0.847]\n", + " PeriodicSite: Li (14.43, 0.8737, 7.125) [0.7103, 0.04301, 0.3508]\n", + " PeriodicSite: Li (11.2, 3.295, 16.29) [0.5516, 0.1622, 0.8021]\n", + " PeriodicSite: Li (17.15, 11.88, 5.145) [0.8443, 0.5848, 0.2533]\n", + " PeriodicSite: Li (17.1, 8.511, 15.45) [0.8419, 0.419, 0.7606]\n", + " PeriodicSite: Li (4.345, 4.942, 8.098) [0.2139, 0.2433, 0.3987]\n", + " PeriodicSite: Li (2.197, 0.9734, 19.29) [0.1082, 0.04792, 0.9496]\n", + " PeriodicSite: Li (2.675, 8.375, 4.915) [0.1317, 0.4123, 0.242]\n", + " PeriodicSite: Li (6.731, 9.954, 17.29) [0.3314, 0.49, 0.851]\n", + " PeriodicSite: Li (11.7, 4.825, 6.9) [0.5758, 0.2375, 0.3397]\n", + " PeriodicSite: Li (14.02, 4.084, 1.304) [0.6901, 0.2011, 0.06422]\n", + " PeriodicSite: Li (12.07, 10.06, 12.11) [0.5943, 0.4953, 0.5962]\n", + " PeriodicSite: Li (10.23, 19.38, 18.15) [0.5036, 0.9541, 0.8935]\n", + " PeriodicSite: Li (4.829, 1.404, 6.873) [0.2377, 0.06911, 0.3384]\n", + " PeriodicSite: Li (3.063, 19.39, 15.23) [0.1508, 0.9546, 0.7496]\n", + " PeriodicSite: Li (3.411, 10.16, 7.181) [0.1679, 0.5004, 0.3535]\n", + " PeriodicSite: Li (6.455, 10.09, 13.45) [0.3178, 0.4965, 0.6623]\n", + " PeriodicSite: Li (12.18, 0.8983, 9.851) [0.5997, 0.04422, 0.485]\n", + " PeriodicSite: Li (12.29, 1.785, 20.02) [0.605, 0.08787, 0.9855]\n", + " PeriodicSite: Li (13.35, 15.3, 8.582) [0.6572, 0.7531, 0.4225]\n", + " PeriodicSite: Li (12.47, 11.37, 19.93) [0.6137, 0.5599, 0.9814]\n", + " PeriodicSite: Li (1.958, 4.299, 6.483) [0.0964, 0.2116, 0.3192]\n", + " PeriodicSite: Li (0.2498, 2.726, 17.42) [0.0123, 0.1342, 0.8578]\n", + " PeriodicSite: Li (0.9813, 14.46, 7.214) [0.04831, 0.7117, 0.3552]\n", + " PeriodicSite: Li (4.183, 14.46, 18.56) [0.2059, 0.7119, 0.9138]\n", + " PeriodicSite: Li (13.23, 1.876, 5.309) [0.6515, 0.09237, 0.2614]\n", + " PeriodicSite: Li (13.49, 0.5428, 16.77) [0.6644, 0.02672, 0.8257]\n", + " PeriodicSite: Li (11.71, 11.88, 9.411) [0.5767, 0.5847, 0.4633]\n", + " PeriodicSite: Li (16.12, 17.62, 19.84) [0.7938, 0.8677, 0.9769]\n", + " PeriodicSite: Li (7.453, 0.5792, 4.467) [0.3669, 0.02851, 0.2199]\n", + " PeriodicSite: Li (0.894, 17.77, 0.6226) [0.044, 0.8746, 0.03065]\n", + " PeriodicSite: Li (2.707, 14.51, 9.5) [0.1332, 0.7145, 0.4677]\n", + " PeriodicSite: Li (2.209, 16.59, 15.36) [0.1088, 0.8167, 0.7561]\n", + " PeriodicSite: Li (14.82, 4.174, 8.038) [0.7295, 0.2055, 0.3957]\n", + " PeriodicSite: Li (15.13, 3.212, 17.97) [0.7448, 0.1581, 0.8846]\n", + " PeriodicSite: Li (16.15, 15.47, 7.847) [0.7953, 0.7617, 0.3863]\n", + " PeriodicSite: Li (10.02, 12.31, 18.03) [0.4932, 0.606, 0.8875]\n", + " PeriodicSite: Li (5.21, 2.073, 3.036) [0.2565, 0.102, 0.1494]\n", + " PeriodicSite: Li (4.825, 0.8537, 17.37) [0.2376, 0.04203, 0.8554]\n", + " PeriodicSite: Li (3.367, 12.7, 5.601) [0.1658, 0.625, 0.2758]\n", + " PeriodicSite: Li (19.83, 13.21, 4.16) [0.9762, 0.6505, 0.2048]\n", + " PeriodicSite: Li (10.31, 2.354, 7.871) [0.5075, 0.1159, 0.3875]\n", + " PeriodicSite: Li (16.91, 0.1056, 16.88) [0.8325, 0.005192, 0.8312]\n", + " PeriodicSite: Li (15.03, 11.7, 3.536) [0.7399, 0.5759, 0.1741]\n", + " PeriodicSite: Li (15.34, 9.279, 17.32) [0.7552, 0.4568, 0.8526]\n", + " PeriodicSite: Li (3.728, 12.08, 15.68) [0.1835, 0.5946, 0.7719]\n", + " PeriodicSite: Li (2.595, 11.09, 9.753) [0.1278, 0.546, 0.4802]\n", + " PeriodicSite: Li (0.6274, 16.71, 3.54) [0.03088, 0.8226, 0.1743]\n", + " PeriodicSite: Li (2.182, 0.5332, 9.304) [0.1074, 0.02625, 0.4581]\n", + " PeriodicSite: Li (12.33, 5.578, 3.141) [0.607, 0.2746, 0.1546]\n", + " PeriodicSite: Li (12.45, 6.546, 14.55) [0.6128, 0.3222, 0.7162]\n", + " PeriodicSite: Li (12.18, 13.24, 5.755) [0.5994, 0.6519, 0.2833]\n", + " PeriodicSite: Li (13.07, 0.2066, 13.65) [0.6436, 0.01017, 0.6719]\n", + " PeriodicSite: Li (3.412, 6.828, 0.5841) [0.168, 0.3361, 0.02876]\n", + " PeriodicSite: Li (2.634, 4.706, 11.09) [0.1297, 0.2317, 0.5461]\n", + " PeriodicSite: Li (7.317, 16.41, 19.43) [0.3602, 0.8076, 0.9567]\n", + " PeriodicSite: Li (5.446, 17.81, 15.92) [0.2681, 0.877, 0.7837]\n", + " PeriodicSite: Li (15.4, 6.866, 0.9185) [0.7581, 0.338, 0.04523]\n", + " PeriodicSite: Li (10.16, 7.493, 12.42) [0.5001, 0.3689, 0.6114]\n", + " PeriodicSite: Li (12.84, 18.02, 4.821) [0.6323, 0.8873, 0.2374]\n", + " PeriodicSite: Li (10.18, 17.13, 13.34) [0.5012, 0.8433, 0.6568]\n", + " PeriodicSite: Li (3.889, 10.08, 17.15) [0.1915, 0.4961, 0.8442]\n", + " PeriodicSite: Li (4.38, 6.833, 11.74) [0.2156, 0.3364, 0.578]\n", + " PeriodicSite: Li (4.741, 19.27, 2.707) [0.2334, 0.9488, 0.1333]\n", + " PeriodicSite: Li (3.09, 17.23, 10.45) [0.1521, 0.848, 0.5145]\n", + " PeriodicSite: Li (10.51, 7.919, 0.8175) [0.5173, 0.3899, 0.04025]\n", + " PeriodicSite: Li (13.28, 5.312, 12.49) [0.6537, 0.2615, 0.6147]\n", + " PeriodicSite: Li (10.69, 15.83, 2.892) [0.5262, 0.7794, 0.1424]\n", + " PeriodicSite: Li (13.81, 15.19, 11.93) [0.6801, 0.7477, 0.5872]\n", + " PeriodicSite: Li (0.4576, 8.946, 1.974) [0.02252, 0.4404, 0.09718]\n", + " PeriodicSite: Li (16.71, 5.894, 11.06) [0.8227, 0.2902, 0.5443]\n", + " PeriodicSite: Li (3.268, 18.11, 4.747) [0.1609, 0.8915, 0.2337]\n", + " PeriodicSite: Li (0.6853, 18.91, 11.82) [0.03373, 0.931, 0.5818]\n", + " PeriodicSite: Li (10.43, 7.65, 4.317) [0.5137, 0.3766, 0.2125]\n", + " PeriodicSite: Li (13.16, 9.178, 15.17) [0.6478, 0.4518, 0.7466]\n", + " PeriodicSite: Li (13.69, 15.22, 1.85) [0.6739, 0.7493, 0.09111]\n", + " PeriodicSite: Li (11.87, 15.68, 16.62) [0.5843, 0.7721, 0.8183]\n", + " PeriodicSite: Li (5.694, 7.572, 5.84) [0.2803, 0.3728, 0.2875]\n", + " PeriodicSite: Li (20.05, 12.09, 12.77) [0.987, 0.5954, 0.6288]\n", + " PeriodicSite: Li (17.91, 16.32, 5.512) [0.8819, 0.8034, 0.2714]\n", + " PeriodicSite: Li (4.003, 19.4, 12.72) [0.1971, 0.9551, 0.626]\n", + " PeriodicSite: Li (17.21, 10.04, 3.371) [0.8475, 0.4942, 0.166]\n", + " PeriodicSite: Li (12.99, 7.08, 10.24) [0.6393, 0.3486, 0.5041]\n", + " PeriodicSite: Li (12.72, 18.16, 0.263) [0.6264, 0.894, 0.01295]\n", + " PeriodicSite: Li (13.63, 17.42, 10.5) [0.671, 0.8578, 0.5169]\n", + " PeriodicSite: Li (2.951, 3.615, 20.1) [0.1453, 0.178, 0.9897]\n", + " PeriodicSite: Li (3.17, 9.952, 13.17) [0.1561, 0.4899, 0.6485]\n", + " PeriodicSite: Li (1.853, 20.16, 2.009) [0.09121, 0.9923, 0.09889]\n", + " PeriodicSite: Li (0.987, 15.72, 12.91) [0.04859, 0.7741, 0.6358]\n", + " PeriodicSite: Li (13.28, 9.479, 3.904) [0.6536, 0.4666, 0.1922]\n", + " PeriodicSite: Li (14.96, 8.354, 13.11) [0.7367, 0.4113, 0.6456]\n", + " PeriodicSite: Li (14.93, 18.32, 2.993) [0.7349, 0.9017, 0.1474]\n", + " PeriodicSite: Li (18.55, 5.1, 13.13) [0.9135, 0.2511, 0.6463]\n", + " PeriodicSite: Li (9.46, 3.515, 3.588) [0.4657, 0.1731, 0.1766]\n", + " PeriodicSite: Li (9.845, 2.134, 12.37) [0.4847, 0.105, 0.609]\n", + " PeriodicSite: Li (6.991, 10.72, 4.183) [0.3442, 0.5277, 0.2059]\n", + " PeriodicSite: Li (6.848, 12.13, 15.2) [0.3371, 0.5971, 0.7483]\n", + " PeriodicSite: Li (18.32, 3.146, 4.914) [0.902, 0.1549, 0.2419]\n", + " PeriodicSite: Li (12.8, 3.989, 9.696) [0.6302, 0.1964, 0.4773]\n", + " PeriodicSite: Li (18.95, 12.21, 1.446) [0.9328, 0.6009, 0.07118]\n", + " PeriodicSite: Li (17.41, 10.99, 14.74) [0.857, 0.5409, 0.7255]\n", + " PeriodicSite: Li (5.816, 18.43, 6.209) [0.2863, 0.9072, 0.3057]\n", + " PeriodicSite: Li (8.322, 2.993, 14.87) [0.4097, 0.1474, 0.7319]\n", + " PeriodicSite: Li (6.966, 13.49, 20.06) [0.3429, 0.6643, 0.9874]\n", + " PeriodicSite: Li (9.818, 13.47, 12.8) [0.4834, 0.6634, 0.6301]\n", + " PeriodicSite: Li (12.91, 20.17, 3.041) [0.6355, 0.9929, 0.1497]\n", + " PeriodicSite: Li (19.02, 2.321, 10.78) [0.9362, 0.1143, 0.5309]\n", + " PeriodicSite: Li (17.22, 15.21, 1.848) [0.8478, 0.7487, 0.09096]\n", + " PeriodicSite: Li (17.17, 15.24, 12.03) [0.8451, 0.7504, 0.5925]\n", + " PeriodicSite: Li (7.831, 5.585, 6.646) [0.3855, 0.2749, 0.3272]\n", + " PeriodicSite: Li (7.316, 20.24, 12.66) [0.3602, 0.9962, 0.6231]\n", + " PeriodicSite: Li (10.14, 12.36, 2.059) [0.4993, 0.6085, 0.1014]\n", + " PeriodicSite: Li (5.326, 13.48, 11.77) [0.2622, 0.6635, 0.5797]\n", + " PeriodicSite: Li (20.05, 2.539, 2.582) [0.9872, 0.125, 0.1271]\n", + " PeriodicSite: Li (0.6243, 7.929, 11.47) [0.03074, 0.3904, 0.5646]\n", + " PeriodicSite: Li (15.9, 13.21, 1.041) [0.7829, 0.6503, 0.05128]\n", + " PeriodicSite: Li (15.58, 12.72, 13.15) [0.7668, 0.6263, 0.6473]\n", + " PeriodicSite: Li (2.18, 1.12, 5.492) [0.1073, 0.05511, 0.2704]\n", + " PeriodicSite: Li (5.642, 1.937, 14.35) [0.2777, 0.09537, 0.7063]\n", + " PeriodicSite: Li (5.152, 13.14, 1.971) [0.2536, 0.6468, 0.09705]\n", + " PeriodicSite: Li (8.621, 6.964, 15.44) [0.4244, 0.3429, 0.7603]\n", + " PeriodicSite: Li (17.45, 5.16, 2.258) [0.8593, 0.254, 0.1112]\n", + " PeriodicSite: Li (16.85, 19.46, 13.82) [0.8297, 0.9579, 0.6806]\n", + " PeriodicSite: Li (13.38, 14.66, 18.63) [0.6586, 0.7219, 0.9171]\n", + " PeriodicSite: Li (17.82, 12.69, 10.43) [0.8773, 0.6249, 0.5134]\n", + " PeriodicSite: Li (7.042, 3.831, 0.251) [0.3467, 0.1886, 0.01236]\n", + " PeriodicSite: Li (5.093, 3.242, 11.83) [0.2507, 0.1596, 0.5826]\n", + " PeriodicSite: Li (8.039, 10.53, 1.212) [0.3957, 0.5184, 0.05967]\n", + " PeriodicSite: Li (8.129, 11.36, 10.47) [0.4002, 0.5593, 0.5157]\n", + " PeriodicSite: Li (15.85, 1.708, 3.506) [0.7803, 0.08409, 0.1726]\n", + " PeriodicSite: Li (16.28, 2.877, 10.87) [0.8015, 0.1416, 0.535]\n", + " PeriodicSite: Li (1.738, 11.4, 19.84) [0.08557, 0.5611, 0.9768]\n", + " PeriodicSite: Li (18.57, 13.6, 15.14) [0.9144, 0.6697, 0.7452]\n", + " PeriodicSite: Li (8.174, 0.8967, 0.8798) [0.4024, 0.04414, 0.04332]\n", + " PeriodicSite: Li (7.361, 2.733, 10.41) [0.3624, 0.1345, 0.5123]\n", + " PeriodicSite: Li (8.306, 13.55, 4.685) [0.4089, 0.6669, 0.2307]\n", + " PeriodicSite: Li (4.732, 16.46, 12.41) [0.2329, 0.8105, 0.6109]\n", + " PeriodicSite: Li (17.31, 3.048, 0.1526) [0.8521, 0.15, 0.007518]\n", + " PeriodicSite: Li (1.721, 6.097, 14.53) [0.08471, 0.3002, 0.7154]\n", + " PeriodicSite: Li (4.806, 13.82, 8.308) [0.2366, 0.6803, 0.409]\n", + " PeriodicSite: Li (14.51, 12.65, 9.478) [0.7145, 0.6229, 0.4666]\n", + " PeriodicSite: Li (13.86, 9.908, 6.653) [0.6825, 0.4878, 0.3275]\n", + " PeriodicSite: Li (5.496, 7.911, 15.56) [0.2706, 0.3895, 0.766]\n", + " PeriodicSite: Li (7.053, 16.29, 10.43) [0.3472, 0.8022, 0.5134]\n", + " PeriodicSite: Li (4.377, 17.55, 0.7667) [0.2155, 0.864, 0.03775]\n", + " PeriodicSite: Li (16.91, 9.638, 7.21) [0.8325, 0.4745, 0.355]\n", + " PeriodicSite: Li (2.144, 4.635, 17.09) [0.1055, 0.2282, 0.8412]\n", + " PeriodicSite: Li (17.31, 19.63, 4.693) [0.8521, 0.9665, 0.231]\n", + " PeriodicSite: Li (20.0, 17.25, 17.84) [0.9847, 0.8495, 0.8785]\n", + " PeriodicSite: Li (6.349, 9.986, 7.296) [0.3126, 0.4916, 0.3592]\n", + " PeriodicSite: Li (7.609, 6.166, 19.3) [0.3746, 0.3036, 0.9503]\n", + " PeriodicSite: Li (8.004, 19.89, 8.363) [0.394, 0.9791, 0.4117]\n", + " PeriodicSite: Li (8.052, 15.71, 16.23) [0.3964, 0.7736, 0.7992]\n", + " PeriodicSite: Li (19.25, 8.303, 9.308) [0.9479, 0.4088, 0.4582]\n", + " PeriodicSite: Li (17.41, 6.477, 19.57) [0.8573, 0.3189, 0.9636]\n", + " PeriodicSite: Li (18.25, 19.69, 8.622) [0.8987, 0.9691, 0.4245]\n", + " PeriodicSite: Li (18.08, 16.8, 15.32) [0.89, 0.8269, 0.7542]\n", + " PeriodicSite: Li (6.691, 6.788, 9.389) [0.3294, 0.3342, 0.4622]\n", + " PeriodicSite: Li (4.974, 3.761, 18.1) [0.2449, 0.1851, 0.8913]\n", + " PeriodicSite: Li (9.387, 17.83, 9.991) [0.4621, 0.8779, 0.4919]\n", + " PeriodicSite: Li (14.5, 12.42, 16.54) [0.7138, 0.6115, 0.8141]\n", + " PeriodicSite: Li (19.58, 7.303, 6.327) [0.964, 0.3595, 0.3115]\n", + " PeriodicSite: Li (18.7, 5.745, 17.05) [0.9208, 0.2828, 0.8393]\n", + " PeriodicSite: Li (16.57, 16.94, 9.891) [0.816, 0.8341, 0.4869]\n", + " PeriodicSite: Li (17.03, 15.26, 18.77) [0.8384, 0.7513, 0.9243]\n", + " PeriodicSite: Li (10.22, 8.547, 8.196) [0.5029, 0.4208, 0.4035]\n", + " PeriodicSite: Li (6.11, 6.505, 1.519) [0.3008, 0.3202, 0.0748]\n", + " PeriodicSite: Li (5.306, 16.96, 8.428) [0.2612, 0.8351, 0.4149]\n", + " PeriodicSite: Li (6.823, 15.14, 2.15) [0.3359, 0.7453, 0.1059]\n", + " PeriodicSite: Li (15.67, 6.89, 8.803) [0.7716, 0.3392, 0.4334]\n", + " PeriodicSite: Li (0.08952, 8.43, 18.66) [0.004408, 0.415, 0.9184]\n", + " PeriodicSite: Li (15.45, 18.38, 7.15) [0.7607, 0.9049, 0.352]\n", + " PeriodicSite: Li (14.59, 18.35, 15.33) [0.7183, 0.9036, 0.7547]\n", + " PeriodicSite: Li (7.883, 4.71, 12.52) [0.3881, 0.2319, 0.6164]\n", + " PeriodicSite: Li (5.388, 6.764, 18.06) [0.2652, 0.333, 0.8892]\n", + " PeriodicSite: Li (9.473, 17.84, 5.951) [0.4664, 0.8782, 0.293]\n", + " PeriodicSite: Li (10.39, 18.58, 1.861) [0.5115, 0.9146, 0.09164]\n", + " PeriodicSite: Li (15.86, 7.625, 5.852) [0.7809, 0.3754, 0.2881]\n", + " PeriodicSite: Li (13.62, 6.365, 18.57) [0.6707, 0.3134, 0.9143]\n", + " PeriodicSite: Li (19.86, 17.66, 7.543) [0.9778, 0.8693, 0.3714]\n", + " PeriodicSite: Li (18.72, 0.002798, 0.9804) [0.9215, 0.0001292, 0.04827]\n", + " PeriodicSite: Li (3.988, 9.807, 2.836) [0.1963, 0.4828, 0.1396]\n", + " PeriodicSite: Li (9.346, 9.22, 17.88) [0.4601, 0.4539, 0.8801]\n", + " PeriodicSite: Li (8.261, 15.4, 7.211) [0.4067, 0.7582, 0.355]\n", + " PeriodicSite: Li (7.454, 19.91, 16.4) [0.367, 0.9801, 0.8074]\n", + " PeriodicSite: Li (17.97, 5.03, 7.182) [0.8847, 0.2476, 0.3536]\n", + " PeriodicSite: Li (17.88, 11.15, 18.81) [0.8805, 0.5491, 0.9262]\n", + " PeriodicSite: Li (2.897, 15.67, 1.554) [0.1426, 0.7716, 0.07649]\n", + " PeriodicSite: Li (15.74, 2.608, 14.09) [0.775, 0.1284, 0.6935]\n", + " PeriodicSite: Cl (7.473, 12.43, 12.72) [0.3679, 0.6121, 0.626]\n", + " PeriodicSite: Cl (2.758, 12.6, 17.62) [0.1358, 0.6201, 0.8677]\n", + " PeriodicSite: Cl (12.77, 17.47, 12.67) [0.6289, 0.86, 0.6239]\n", + " PeriodicSite: Cl (18.03, 7.935, 17.85) [0.8878, 0.3907, 0.8787]\n", + " PeriodicSite: Cl (7.556, 2.529, 2.564) [0.372, 0.1245, 0.1263]\n", + " PeriodicSite: Cl (7.614, 7.554, 7.369) [0.3749, 0.3719, 0.3628]\n", + " PeriodicSite: Cl (13.11, 12.2, 7.651) [0.6454, 0.6005, 0.3767]\n", + " PeriodicSite: Cl (2.468, 7.721, 2.696) [0.1215, 0.3801, 0.1327]\n", + " PeriodicSite: Cl (2.538, 7.734, 12.93) [0.1249, 0.3807, 0.6364]\n", + " PeriodicSite: Cl (12.3, 12.94, 17.78) [0.6055, 0.6371, 0.8753]\n", + " PeriodicSite: Cl (17.78, 17.51, 17.87) [0.8754, 0.8621, 0.8799]\n", + " PeriodicSite: Cl (2.587, 2.381, 7.572) [0.1274, 0.1172, 0.3728]\n", + " PeriodicSite: Cl (12.78, 2.682, 17.96) [0.6294, 0.132, 0.884]\n", + " PeriodicSite: Cl (12.22, 7.485, 2.331) [0.6018, 0.3685, 0.1147]\n", + " PeriodicSite: Cl (17.42, 2.977, 12.7) [0.8575, 0.1466, 0.6253]\n", + " PeriodicSite: Cl (8.128, 17.74, 17.45) [0.4001, 0.8733, 0.8592]\n", + " PeriodicSite: Cl (0.4505, 19.95, 0.1157) [0.02217, 0.9823, 0.005695]\n", + " PeriodicSite: Cl (0.1421, 20.21, 9.656) [0.006989, 0.995, 0.4754]\n", + " PeriodicSite: Cl (20.17, 10.18, 20.21) [0.9929, 0.5011, 0.9952]\n", + " PeriodicSite: Cl (0.5379, 10.21, 10.45) [0.02648, 0.5025, 0.5143]\n", + " PeriodicSite: Cl (10.26, 0.1275, 0.1891) [0.5049, 0.006271, 0.009312]\n", + " PeriodicSite: Cl (10.21, 20.25, 10.12) [0.5027, 0.9969, 0.4981]\n", + " PeriodicSite: Cl (10.21, 10.88, 19.97) [0.5025, 0.5357, 0.9831]\n", + " PeriodicSite: Cl (10.47, 10.28, 10.34) [0.5155, 0.506, 0.5091]\n", + " PeriodicSite: Cl (19.96, 5.088, 5.32) [0.9828, 0.2505, 0.2619]\n", + " PeriodicSite: Cl (0.3497, 4.529, 15.62) [0.01722, 0.223, 0.769]\n", + " PeriodicSite: Cl (20.09, 15.47, 5.377) [0.9889, 0.7618, 0.2647]\n", + " PeriodicSite: Cl (0.03596, 15.16, 15.71) [0.001768, 0.7464, 0.7736]\n", + " PeriodicSite: Cl (10.31, 5.5, 4.528) [0.5077, 0.2708, 0.2229]\n", + " PeriodicSite: Cl (9.748, 5.068, 14.7) [0.4799, 0.2495, 0.7237]\n", + " PeriodicSite: Cl (9.746, 15.38, 5.025) [0.4798, 0.7572, 0.2474]\n", + " PeriodicSite: Cl (10.22, 15.28, 14.96) [0.503, 0.7524, 0.7366]\n", + " PeriodicSite: S (4.869, 20.29, 4.924) [0.2397, 0.9989, 0.2424]\n", + " PeriodicSite: S (5.49, 20.03, 15.4) [0.2703, 0.9863, 0.7583]\n", + " PeriodicSite: S (4.873, 10.11, 5.359) [0.2399, 0.4975, 0.2639]\n", + " PeriodicSite: S (5.139, 10.34, 15.43) [0.253, 0.5091, 0.7596]\n", + " PeriodicSite: S (14.67, 0.0003842, 4.768) [0.7221, 1.254e-05, 0.2347]\n", + " PeriodicSite: S (15.32, 0.189, 15.23) [0.7543, 0.009297, 0.7496]\n", + " PeriodicSite: S (15.55, 9.892, 5.064) [0.7658, 0.487, 0.2493]\n", + " PeriodicSite: S (15.25, 10.22, 15.3) [0.7509, 0.503, 0.7531]\n", + " PeriodicSite: S (5.06, 5.056, 20.18) [0.2491, 0.2489, 0.9933]\n", + " PeriodicSite: S (4.967, 5.12, 10.4) [0.2445, 0.2521, 0.512]\n", + " PeriodicSite: S (5.301, 15.28, 0.4966) [0.261, 0.7522, 0.02445]\n", + " PeriodicSite: S (4.801, 15.48, 10.25) [0.2364, 0.7622, 0.5047]\n", + " PeriodicSite: S (15.57, 5.009, 20.17) [0.7665, 0.2466, 0.993]\n", + " PeriodicSite: S (14.78, 5.134, 10.27) [0.7275, 0.2527, 0.5054]\n", + " PeriodicSite: S (15.32, 15.36, 0.04312) [0.7544, 0.7562, 0.002128]\n", + " PeriodicSite: S (15.13, 15.15, 9.923) [0.7451, 0.7458, 0.4885]\n", + " PeriodicSite: S (8.848, 3.945, 8.695) [0.4356, 0.1942, 0.428]\n", + " PeriodicSite: S (8.94, 3.865, 19.07) [0.4401, 0.1903, 0.9387]\n", + " PeriodicSite: S (9.21, 13.78, 9.162) [0.4534, 0.6786, 0.451]\n", + " PeriodicSite: S (9.016, 14.42, 18.94) [0.4438, 0.7098, 0.9322]\n", + " PeriodicSite: S (18.41, 4.16, 9.319) [0.9061, 0.2048, 0.4588]\n", + " PeriodicSite: S (19.37, 4.0, 19.2) [0.9536, 0.1969, 0.9452]\n", + " PeriodicSite: S (18.98, 14.32, 8.719) [0.9343, 0.7049, 0.4293]\n", + " PeriodicSite: S (18.93, 13.76, 19.59) [0.9321, 0.6774, 0.9645]\n", + " PeriodicSite: S (3.871, 1.232, 0.9899) [0.1906, 0.06065, 0.04874]\n", + " PeriodicSite: S (3.769, 1.187, 11.26) [0.1855, 0.05842, 0.5542]\n", + " PeriodicSite: S (3.804, 11.17, 0.9846) [0.1873, 0.55, 0.04848]\n", + " PeriodicSite: S (4.115, 11.44, 11.54) [0.2026, 0.5632, 0.5679]\n", + " PeriodicSite: S (14.11, 1.398, 0.937) [0.6949, 0.06881, 0.04613]\n", + " PeriodicSite: S (14.18, 1.321, 11.22) [0.6981, 0.06505, 0.5525]\n", + " PeriodicSite: S (13.77, 10.9, 1.584) [0.6781, 0.5367, 0.07799]\n", + " PeriodicSite: S (14.22, 11.28, 11.58) [0.7003, 0.5553, 0.57]\n", + " PeriodicSite: S (6.21, 1.019, 9.086) [0.3057, 0.05015, 0.4473]\n", + " PeriodicSite: S (6.506, 1.444, 19.17) [0.3203, 0.07109, 0.9437]\n", + " PeriodicSite: S (6.052, 11.87, 9.133) [0.2979, 0.5843, 0.4496]\n", + " PeriodicSite: S (6.295, 11.11, 19.18) [0.3099, 0.547, 0.9441]\n", + " PeriodicSite: S (16.64, 1.281, 9.178) [0.819, 0.06308, 0.4518]\n", + " PeriodicSite: S (16.51, 1.477, 18.76) [0.813, 0.07271, 0.9237]\n", + " PeriodicSite: S (16.5, 11.12, 9.111) [0.8123, 0.5472, 0.4485]\n", + " PeriodicSite: S (15.74, 11.61, 19.4) [0.7751, 0.5718, 0.9553]\n", + " PeriodicSite: S (1.239, 4.093, 1.286) [0.06101, 0.2015, 0.06329]\n", + " PeriodicSite: S (0.4548, 3.902, 11.56) [0.02239, 0.1921, 0.5693]\n", + " PeriodicSite: S (1.052, 13.1, 1.503) [0.05178, 0.6448, 0.07399]\n", + " PeriodicSite: S (0.8805, 14.03, 11.28) [0.04334, 0.6905, 0.5552]\n", + " PeriodicSite: S (11.17, 3.861, 1.118) [0.5498, 0.1901, 0.05504]\n", + " PeriodicSite: S (10.94, 4.185, 11.29) [0.5385, 0.206, 0.5558]\n", + " PeriodicSite: S (11.3, 14.32, 1.085) [0.5564, 0.7048, 0.05341]\n", + " PeriodicSite: S (11.59, 13.7, 11.33) [0.5707, 0.6744, 0.5578]\n", + " PeriodicSite: S (2.695, 2.576, 17.65) [0.1327, 0.1268, 0.869]\n", + " PeriodicSite: S (2.583, 12.63, 8.02) [0.1271, 0.6216, 0.3948]\n", + " PeriodicSite: S (12.65, 2.685, 7.491) [0.6229, 0.1322, 0.3688]\n", + " PeriodicSite: S (8.908, 9.283, 3.814) [0.4385, 0.457, 0.1878]\n", + " PeriodicSite: S (8.802, 8.963, 13.93) [0.4333, 0.4412, 0.6858]\n", + " PeriodicSite: S (9.017, 19.42, 3.839) [0.4439, 0.9561, 0.189]\n", + " PeriodicSite: S (9.02, 19.65, 13.9) [0.444, 0.9672, 0.6844]\n", + " PeriodicSite: S (19.28, 8.796, 4.25) [0.9494, 0.433, 0.2092]\n", + " PeriodicSite: S (19.05, 9.274, 14.31) [0.9381, 0.4566, 0.7047]\n", + " PeriodicSite: S (18.95, 18.68, 3.573) [0.9327, 0.9198, 0.1759]\n", + " PeriodicSite: S (19.33, 18.77, 13.93) [0.9519, 0.9242, 0.686]\n", + " PeriodicSite: S (3.542, 6.309, 6.146) [0.1744, 0.3106, 0.3026]\n", + " PeriodicSite: S (3.76, 6.222, 16.05) [0.1851, 0.3063, 0.7904]\n", + " PeriodicSite: S (4.046, 16.45, 6.422) [0.1992, 0.8098, 0.3162]\n", + " PeriodicSite: S (4.057, 16.17, 16.78) [0.1997, 0.7963, 0.826]\n", + " PeriodicSite: S (14.19, 6.071, 6.385) [0.6988, 0.2989, 0.3143]\n", + " PeriodicSite: S (14.29, 7.075, 16.22) [0.7037, 0.3483, 0.7987]\n", + " PeriodicSite: S (13.98, 16.31, 6.265) [0.6884, 0.8028, 0.3085]\n", + " PeriodicSite: S (14.2, 16.66, 16.98) [0.6992, 0.8202, 0.8359]\n", + " PeriodicSite: S (5.925, 6.021, 3.895) [0.2917, 0.2964, 0.1917]\n", + " PeriodicSite: S (6.24, 6.258, 13.64) [0.3072, 0.3081, 0.6717]\n", + " PeriodicSite: S (6.52, 16.72, 4.166) [0.321, 0.823, 0.2051]\n", + " PeriodicSite: S (6.55, 16.0, 14.38) [0.3225, 0.7878, 0.7079]\n", + " PeriodicSite: S (16.1, 6.331, 3.849) [0.7928, 0.3117, 0.1895]\n", + " PeriodicSite: S (16.45, 6.578, 13.81) [0.8099, 0.3238, 0.68]\n", + " PeriodicSite: S (16.32, 16.19, 3.738) [0.8036, 0.7972, 0.184]\n", + " PeriodicSite: S (15.95, 16.48, 13.92) [0.7851, 0.8111, 0.6852]\n", + " PeriodicSite: S (1.169, 8.946, 6.736) [0.05756, 0.4404, 0.3316]\n", + " PeriodicSite: S (1.43, 8.993, 16.59) [0.07039, 0.4427, 0.8165]\n", + " PeriodicSite: S (0.9896, 18.9, 5.949) [0.04871, 0.9304, 0.2929]\n", + " PeriodicSite: S (1.024, 18.42, 16.42) [0.05041, 0.9069, 0.8084]\n", + " PeriodicSite: S (11.48, 9.144, 6.188) [0.5653, 0.4502, 0.3047]\n", + " PeriodicSite: S (11.03, 8.546, 16.25) [0.5429, 0.4207, 0.7998]\n", + " PeriodicSite: S (11.29, 19.83, 6.296) [0.556, 0.9764, 0.31]\n", + " PeriodicSite: S (11.54, 19.38, 16.04) [0.568, 0.9542, 0.7895]\n", + " PeriodicSite: S (2.712, 17.91, 2.377) [0.1335, 0.8818, 0.117]\n", + " PeriodicSite: S (2.552, 17.45, 12.89) [0.1256, 0.859, 0.6345]\n", + " PeriodicSite: S (12.49, 7.661, 12.48) [0.6148, 0.3772, 0.6146]\n", + " PeriodicSite: S (12.61, 17.63, 2.504) [0.6208, 0.8678, 0.1233]\n", + " PeriodicSite: S (3.384, 3.614, 3.916) [0.1666, 0.1779, 0.1928]\n", + " PeriodicSite: S (3.679, 3.939, 13.55) [0.1811, 0.1939, 0.667]\n", + " PeriodicSite: S (4.029, 14.35, 3.957) [0.1984, 0.7066, 0.1948]\n", + " PeriodicSite: S (3.753, 14.1, 14.16) [0.1847, 0.6942, 0.697]\n", + " PeriodicSite: S (13.95, 3.708, 3.741) [0.6869, 0.1825, 0.1842]\n", + " PeriodicSite: S (13.85, 4.466, 14.45) [0.6817, 0.2198, 0.7115]\n", + " PeriodicSite: S (13.76, 13.95, 3.979) [0.6774, 0.6866, 0.1959]\n", + " PeriodicSite: S (13.87, 14.1, 14.46) [0.683, 0.6941, 0.7119]\n", + " PeriodicSite: S (8.707, 1.712, 6.078) [0.4286, 0.08427, 0.2992]\n", + " PeriodicSite: S (9.098, 1.298, 16.75) [0.4479, 0.06389, 0.8245]\n", + " PeriodicSite: S (9.055, 11.49, 6.377) [0.4458, 0.5658, 0.3139]\n", + " PeriodicSite: S (8.895, 11.07, 16.45) [0.4379, 0.545, 0.81]\n", + " PeriodicSite: S (18.71, 0.5529, 6.099) [0.9211, 0.02721, 0.3003]\n", + " PeriodicSite: S (19.2, 0.886, 16.46) [0.945, 0.04361, 0.8103]\n", + " PeriodicSite: S (19.18, 11.48, 6.412) [0.9443, 0.5653, 0.3157]\n", + " PeriodicSite: S (19.36, 11.48, 16.69) [0.953, 0.565, 0.8219]\n", + " PeriodicSite: S (0.7696, 0.99, 3.743) [0.03789, 0.04874, 0.1843]\n", + " PeriodicSite: S (1.393, 0.6571, 14.22) [0.0686, 0.03235, 0.7003]\n", + " PeriodicSite: S (1.238, 11.42, 4.166) [0.06097, 0.5623, 0.2051]\n", + " PeriodicSite: S (1.539, 11.39, 14.27) [0.07578, 0.5607, 0.7028]\n", + " PeriodicSite: S (11.46, 1.521, 3.79) [0.5641, 0.07489, 0.1866]\n", + " PeriodicSite: S (11.23, 1.913, 14.26) [0.5528, 0.09418, 0.7021]\n", + " PeriodicSite: S (11.42, 11.33, 3.777) [0.5624, 0.558, 0.186]\n", + " PeriodicSite: S (11.4, 11.27, 14.28) [0.5613, 0.5548, 0.703]\n", + " PeriodicSite: S (5.786, 3.877, 6.495) [0.2849, 0.1909, 0.3197]\n", + " PeriodicSite: S (5.795, 3.576, 15.88) [0.2853, 0.1761, 0.7818]\n", + " PeriodicSite: S (6.288, 13.93, 6.238) [0.3096, 0.6858, 0.3071]\n", + " PeriodicSite: S (6.209, 13.66, 16.83) [0.3057, 0.6726, 0.8286]\n", + " PeriodicSite: S (16.39, 3.337, 5.88) [0.8069, 0.1643, 0.2895]\n", + " PeriodicSite: S (16.46, 4.365, 16.36) [0.8104, 0.2149, 0.8054]\n", + " PeriodicSite: S (16.1, 13.85, 6.199) [0.7927, 0.682, 0.3052]\n", + " PeriodicSite: S (16.52, 14.2, 16.61) [0.8131, 0.6992, 0.8179]\n", + " PeriodicSite: S (7.368, 2.277, 12.65) [0.3627, 0.1121, 0.623]\n", + " PeriodicSite: S (7.649, 12.71, 2.246) [0.3766, 0.6259, 0.1106]\n", + " PeriodicSite: S (17.88, 2.817, 2.502) [0.88, 0.1387, 0.1232]\n", + " PeriodicSite: S (17.19, 12.82, 2.792) [0.8462, 0.6309, 0.1375]\n", + " PeriodicSite: S (17.92, 13.04, 13.02) [0.8822, 0.642, 0.6411]\n", + " PeriodicSite: S (3.928, 9.022, 9.333) [0.1934, 0.4442, 0.4595]\n", + " PeriodicSite: S (3.92, 8.619, 19.36) [0.193, 0.4243, 0.9529]\n", + " PeriodicSite: S (3.756, 18.95, 8.944) [0.1849, 0.9331, 0.4403]\n", + " PeriodicSite: S (4.071, 19.46, 18.81) [0.2004, 0.9581, 0.9259]\n", + " PeriodicSite: S (14.0, 9.04, 8.855) [0.6893, 0.445, 0.436]\n", + " PeriodicSite: S (13.93, 8.91, 19.39) [0.6859, 0.4386, 0.9546]\n", + " PeriodicSite: S (13.81, 19.59, 8.692) [0.68, 0.9643, 0.4279]\n", + " PeriodicSite: S (14.12, 19.3, 19.0) [0.6949, 0.9502, 0.9353]\n", + " PeriodicSite: S (8.8, 6.309, 1.229) [0.4332, 0.3106, 0.06051]\n", + " PeriodicSite: S (8.694, 6.438, 10.89) [0.428, 0.3169, 0.5361]\n", + " PeriodicSite: S (8.894, 16.86, 0.7735) [0.4379, 0.8299, 0.03808]\n", + " PeriodicSite: S (9.084, 15.92, 11.6) [0.4472, 0.7839, 0.5709]\n", + " PeriodicSite: S (19.25, 6.677, 1.014) [0.9479, 0.3287, 0.0499]\n", + " PeriodicSite: S (18.95, 6.598, 11.66) [0.9328, 0.3248, 0.5742]\n", + " PeriodicSite: S (19.47, 16.05, 1.577) [0.9584, 0.7901, 0.07764]\n", + " PeriodicSite: S (19.01, 16.69, 11.15) [0.936, 0.8217, 0.5488]\n", + " PeriodicSite: S (1.04, 6.214, 9.363) [0.05121, 0.3059, 0.461]\n", + " PeriodicSite: S (1.351, 6.394, 19.08) [0.06651, 0.3148, 0.9394]\n", + " PeriodicSite: S (1.052, 16.43, 8.944) [0.05176, 0.8089, 0.4403]\n", + " PeriodicSite: S (1.338, 15.66, 19.57) [0.06586, 0.7707, 0.9633]\n", + " PeriodicSite: S (11.25, 6.337, 8.641) [0.554, 0.312, 0.4254]\n", + " PeriodicSite: S (11.07, 6.454, 19.15) [0.5451, 0.3177, 0.9426]\n", + " PeriodicSite: S (11.47, 16.47, 9.453) [0.5647, 0.811, 0.4654]\n", + " PeriodicSite: S (11.44, 16.61, 18.87) [0.563, 0.8177, 0.9288]\n", + " PeriodicSite: S (6.029, 8.787, 1.648) [0.2968, 0.4326, 0.08116]\n", + " PeriodicSite: S (6.711, 9.159, 11.1) [0.3304, 0.4509, 0.5463]\n", + " PeriodicSite: S (6.274, 19.15, 0.933) [0.3089, 0.9429, 0.04593]\n", + " PeriodicSite: S (5.941, 18.85, 11.35) [0.2925, 0.928, 0.5588]\n", + " PeriodicSite: S (16.56, 8.959, 1.369) [0.8151, 0.4411, 0.06741]\n", + " PeriodicSite: S (16.22, 8.493, 11.24) [0.7984, 0.4181, 0.5534]\n", + " PeriodicSite: S (16.46, 19.56, 1.136) [0.8103, 0.9632, 0.05595]\n", + " PeriodicSite: S (15.93, 18.66, 11.18) [0.7841, 0.9187, 0.5505]\n", + " PeriodicSite: S (7.376, 7.539, 17.19) [0.3631, 0.3712, 0.8461]\n", + " PeriodicSite: S (7.655, 17.49, 8.027) [0.3768, 0.861, 0.3952]\n", + " PeriodicSite: S (17.77, 7.285, 7.621) [0.875, 0.3587, 0.3752]\n", + " PeriodicSite: S (17.69, 17.52, 7.792) [0.8708, 0.8624, 0.3836]\n", + " PeriodicSite: P (5.199, 0.1875, 20.08) [0.256, 0.009228, 0.9885]\n", + " PeriodicSite: P (4.946, 20.24, 10.16) [0.2435, 0.9965, 0.5002]\n", + " PeriodicSite: P (5.046, 9.869, 0.1227) [0.2484, 0.4859, 0.006042]\n", + " PeriodicSite: P (5.217, 10.28, 10.33) [0.2568, 0.5059, 0.5084]\n", + " PeriodicSite: P (15.28, 0.2949, 20.09) [0.752, 0.01451, 0.989]\n", + " PeriodicSite: P (15.21, 0.03102, 10.13) [0.749, 0.001521, 0.4988]\n", + " PeriodicSite: P (15.08, 10.09, 0.3391) [0.7422, 0.4968, 0.0167]\n", + " PeriodicSite: P (15.23, 10.0, 10.26) [0.75, 0.4924, 0.505]\n", + " PeriodicSite: P (4.645, 4.856, 5.113) [0.2287, 0.2391, 0.2517]\n", + " PeriodicSite: P (4.919, 5.125, 14.68) [0.2422, 0.2523, 0.7225]\n", + " PeriodicSite: P (5.262, 15.44, 5.125) [0.259, 0.76, 0.2523]\n", + " PeriodicSite: P (5.061, 14.88, 15.59) [0.2492, 0.7327, 0.7675]\n", + " PeriodicSite: P (15.23, 4.862, 4.974) [0.7496, 0.2394, 0.2449]\n", + " PeriodicSite: P (15.28, 5.649, 15.19) [0.7523, 0.2781, 0.7478]\n", + " PeriodicSite: P (15.04, 15.1, 4.907) [0.7406, 0.7433, 0.2416]\n", + " PeriodicSite: P (15.08, 15.4, 15.5) [0.7424, 0.758, 0.7631]\n", + " PeriodicSite: P (19.98, 19.93, 4.83) [0.9837, 0.981, 0.2378]\n", + " PeriodicSite: P (0.0106, 19.87, 15.33) [0.0005167, 0.9784, 0.7549]\n", + " PeriodicSite: P (0.03688, 10.25, 5.294) [0.001813, 0.5047, 0.2606]\n", + " PeriodicSite: P (0.2698, 10.29, 15.48) [0.01328, 0.5067, 0.7619]\n", + " PeriodicSite: P (10.11, 0.5205, 5.08) [0.4979, 0.02562, 0.2501]\n", + " PeriodicSite: P (10.16, 0.3772, 15.2) [0.5004, 0.01857, 0.7485]\n", + " PeriodicSite: P (10.21, 10.38, 5.103) [0.5026, 0.5111, 0.2512]\n", + " PeriodicSite: P (10.18, 9.995, 15.13) [0.501, 0.4921, 0.7448]\n", + " PeriodicSite: P (0.1063, 5.351, 0.04778) [0.005233, 0.2634, 0.002353]\n", + " PeriodicSite: P (19.88, 5.212, 10.29) [0.9785, 0.2566, 0.5066]\n", + " PeriodicSite: P (0.01081, 14.58, 0.4065) [0.0005258, 0.7177, 0.02001]\n", + " PeriodicSite: P (20.03, 15.28, 10.12) [0.9861, 0.7522, 0.4982]\n", + " PeriodicSite: P (10.09, 5.101, 20.27) [0.4967, 0.2511, 0.9977]\n", + " PeriodicSite: P (9.95, 5.275, 9.837) [0.4899, 0.2597, 0.4843]\n", + " PeriodicSite: P (10.21, 15.62, 20.18) [0.5025, 0.7689, 0.9935]\n", + " PeriodicSite: P (10.39, 14.96, 10.3) [0.5115, 0.7363, 0.5073],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.513, 5.366, 3.781) [0.07447, 0.2642, 0.1861]\n", + " PeriodicSite: Li (2.05, 2.902, 15.32) [0.1009, 0.1429, 0.7541]\n", + " PeriodicSite: Li (0.3014, 11.88, 8.375) [0.01483, 0.5848, 0.4123]\n", + " PeriodicSite: Li (0.7789, 13.74, 17.37) [0.03834, 0.6764, 0.8551]\n", + " PeriodicSite: Li (15.02, 0.9607, 7.29) [0.7392, 0.04729, 0.3589]\n", + " PeriodicSite: Li (11.14, 3.26, 15.79) [0.5482, 0.1605, 0.7773]\n", + " PeriodicSite: Li (17.1, 12.25, 5.316) [0.8417, 0.6032, 0.2617]\n", + " PeriodicSite: Li (16.83, 8.31, 15.41) [0.8285, 0.4091, 0.7588]\n", + " PeriodicSite: Li (4.863, 4.967, 7.811) [0.2394, 0.2445, 0.3846]\n", + " PeriodicSite: Li (2.228, 0.5554, 18.75) [0.1097, 0.02734, 0.9233]\n", + " PeriodicSite: Li (3.156, 8.361, 5.377) [0.1554, 0.4116, 0.2647]\n", + " PeriodicSite: Li (7.065, 10.08, 17.09) [0.3478, 0.4961, 0.8414]\n", + " PeriodicSite: Li (11.98, 4.942, 6.813) [0.59, 0.2433, 0.3354]\n", + " PeriodicSite: Li (13.68, 3.641, 0.5357) [0.6734, 0.1792, 0.02638]\n", + " PeriodicSite: Li (12.05, 9.903, 11.82) [0.5932, 0.4875, 0.5821]\n", + " PeriodicSite: Li (10.01, 18.52, 17.94) [0.4928, 0.9116, 0.8833]\n", + " PeriodicSite: Li (4.585, 1.763, 6.659) [0.2257, 0.08678, 0.3278]\n", + " PeriodicSite: Li (2.994, 0.05125, 15.93) [0.1474, 0.002523, 0.7841]\n", + " PeriodicSite: Li (3.187, 10.45, 7.285) [0.1569, 0.5145, 0.3587]\n", + " PeriodicSite: Li (7.121, 10.15, 13.29) [0.3506, 0.4996, 0.6543]\n", + " PeriodicSite: Li (12.17, 0.2943, 8.52) [0.5992, 0.01448, 0.4194]\n", + " PeriodicSite: Li (10.84, 2.235, 19.14) [0.5338, 0.11, 0.9425]\n", + " PeriodicSite: Li (13.65, 15.44, 8.357) [0.6721, 0.7603, 0.4114]\n", + " PeriodicSite: Li (12.38, 11.21, 19.77) [0.6096, 0.5519, 0.9731]\n", + " PeriodicSite: Li (1.228, 3.828, 6.748) [0.06048, 0.1885, 0.3322]\n", + " PeriodicSite: Li (0.2309, 2.59, 17.71) [0.01137, 0.1275, 0.8718]\n", + " PeriodicSite: Li (2.12, 14.82, 6.996) [0.1044, 0.7294, 0.3444]\n", + " PeriodicSite: Li (4.332, 14.22, 18.18) [0.2133, 0.7002, 0.895]\n", + " PeriodicSite: Li (12.89, 2.226, 5.489) [0.6344, 0.1096, 0.2702]\n", + " PeriodicSite: Li (13.79, 0.3702, 17.16) [0.6788, 0.01822, 0.845]\n", + " PeriodicSite: Li (10.85, 12.03, 8.81) [0.534, 0.5924, 0.4337]\n", + " PeriodicSite: Li (16.01, 17.57, 20.13) [0.7882, 0.8649, 0.9912]\n", + " PeriodicSite: Li (7.096, 0.5153, 4.289) [0.3493, 0.02537, 0.2112]\n", + " PeriodicSite: Li (1.074, 17.53, 0.7835) [0.05286, 0.8632, 0.03857]\n", + " PeriodicSite: Li (2.596, 14.02, 9.976) [0.1278, 0.6902, 0.4911]\n", + " PeriodicSite: Li (2.253, 17.19, 15.48) [0.1109, 0.8462, 0.7621]\n", + " PeriodicSite: Li (14.66, 4.171, 7.953) [0.7215, 0.2053, 0.3916]\n", + " PeriodicSite: Li (15.32, 3.755, 17.99) [0.754, 0.1848, 0.8857]\n", + " PeriodicSite: Li (16.77, 15.63, 8.271) [0.8255, 0.7697, 0.4072]\n", + " PeriodicSite: Li (9.864, 12.39, 18.37) [0.4856, 0.6098, 0.9044]\n", + " PeriodicSite: Li (4.444, 1.964, 3.141) [0.2188, 0.09669, 0.1546]\n", + " PeriodicSite: Li (5.174, 1.301, 17.31) [0.2547, 0.06405, 0.852]\n", + " PeriodicSite: Li (3.107, 12.33, 5.151) [0.1529, 0.6071, 0.2536]\n", + " PeriodicSite: Li (19.85, 13.0, 4.224) [0.9772, 0.6401, 0.2079]\n", + " PeriodicSite: Li (10.28, 1.982, 7.829) [0.5059, 0.09759, 0.3854]\n", + " PeriodicSite: Li (16.78, 19.76, 17.2) [0.826, 0.9728, 0.8467]\n", + " PeriodicSite: Li (15.32, 12.05, 3.58) [0.7545, 0.5933, 0.1763]\n", + " PeriodicSite: Li (16.19, 9.623, 17.52) [0.7968, 0.4738, 0.8626]\n", + " PeriodicSite: Li (3.49, 12.15, 15.06) [0.1718, 0.5981, 0.7416]\n", + " PeriodicSite: Li (2.396, 11.03, 10.04) [0.1179, 0.5433, 0.4941]\n", + " PeriodicSite: Li (0.6347, 16.59, 3.366) [0.03124, 0.817, 0.1657]\n", + " PeriodicSite: Li (2.028, 0.3143, 8.995) [0.09986, 0.01547, 0.4429]\n", + " PeriodicSite: Li (11.76, 5.216, 3.054) [0.5787, 0.2568, 0.1504]\n", + " PeriodicSite: Li (12.72, 7.209, 15.01) [0.6264, 0.3549, 0.7391]\n", + " PeriodicSite: Li (11.94, 13.77, 5.864) [0.588, 0.678, 0.2887]\n", + " PeriodicSite: Li (13.37, 0.9905, 13.68) [0.658, 0.04876, 0.6736]\n", + " PeriodicSite: Li (3.342, 6.927, 0.3488) [0.1645, 0.341, 0.01717]\n", + " PeriodicSite: Li (2.577, 4.611, 10.16) [0.1269, 0.227, 0.5002]\n", + " PeriodicSite: Li (7.033, 16.24, 19.13) [0.3462, 0.7995, 0.9419]\n", + " PeriodicSite: Li (5.966, 17.87, 16.0) [0.2937, 0.8798, 0.7878]\n", + " PeriodicSite: Li (15.05, 6.548, 1.594) [0.7409, 0.3224, 0.07847]\n", + " PeriodicSite: Li (10.37, 7.077, 12.41) [0.5107, 0.3484, 0.611]\n", + " PeriodicSite: Li (12.71, 18.52, 4.958) [0.6259, 0.9119, 0.2441]\n", + " PeriodicSite: Li (10.25, 17.21, 13.46) [0.5048, 0.8474, 0.6625]\n", + " PeriodicSite: Li (3.786, 10.37, 16.94) [0.1864, 0.5104, 0.834]\n", + " PeriodicSite: Li (4.518, 6.927, 11.6) [0.2224, 0.341, 0.5709]\n", + " PeriodicSite: Li (4.857, 18.28, 3.136) [0.2391, 0.9001, 0.1544]\n", + " PeriodicSite: Li (3.178, 17.34, 10.5) [0.1564, 0.8535, 0.5168]\n", + " PeriodicSite: Li (10.96, 8.318, 0.9457) [0.5393, 0.4095, 0.04656]\n", + " PeriodicSite: Li (13.49, 5.343, 12.51) [0.6642, 0.263, 0.616]\n", + " PeriodicSite: Li (10.84, 16.15, 3.007) [0.5338, 0.7949, 0.148]\n", + " PeriodicSite: Li (13.08, 15.27, 12.6) [0.6438, 0.7518, 0.6202]\n", + " PeriodicSite: Li (0.1743, 8.486, 2.189) [0.008577, 0.4178, 0.1078]\n", + " PeriodicSite: Li (16.52, 6.201, 11.16) [0.8131, 0.3053, 0.5495]\n", + " PeriodicSite: Li (2.791, 17.88, 4.715) [0.1374, 0.8803, 0.2321]\n", + " PeriodicSite: Li (0.9439, 18.79, 12.94) [0.04647, 0.925, 0.6369]\n", + " PeriodicSite: Li (11.03, 7.59, 4.269) [0.543, 0.3737, 0.2102]\n", + " PeriodicSite: Li (13.07, 10.3, 15.76) [0.6436, 0.5069, 0.7761]\n", + " PeriodicSite: Li (13.71, 15.66, 2.122) [0.6751, 0.7711, 0.1045]\n", + " PeriodicSite: Li (12.07, 14.86, 16.67) [0.5943, 0.7317, 0.8205]\n", + " PeriodicSite: Li (6.174, 7.887, 5.699) [0.3039, 0.3883, 0.2806]\n", + " PeriodicSite: Li (19.6, 11.5, 12.39) [0.9648, 0.5663, 0.6101]\n", + " PeriodicSite: Li (18.33, 16.6, 5.262) [0.9022, 0.8171, 0.2591]\n", + " PeriodicSite: Li (4.146, 19.12, 12.91) [0.2041, 0.9414, 0.6354]\n", + " PeriodicSite: Li (17.17, 9.96, 3.183) [0.8454, 0.4904, 0.1567]\n", + " PeriodicSite: Li (12.88, 6.993, 10.3) [0.6342, 0.3443, 0.5068]\n", + " PeriodicSite: Li (13.19, 17.67, 0.2851) [0.6494, 0.8701, 0.01404]\n", + " PeriodicSite: Li (13.58, 17.1, 10.44) [0.6686, 0.842, 0.5138]\n", + " PeriodicSite: Li (3.432, 3.376, 0.04305) [0.169, 0.1662, 0.002121]\n", + " PeriodicSite: Li (3.177, 9.085, 14.0) [0.1564, 0.4472, 0.6892]\n", + " PeriodicSite: Li (2.068, 19.99, 2.008) [0.1018, 0.9842, 0.09888]\n", + " PeriodicSite: Li (1.393, 15.46, 12.99) [0.06856, 0.7611, 0.6396]\n", + " PeriodicSite: Li (14.0, 9.575, 3.469) [0.6893, 0.4714, 0.1708]\n", + " PeriodicSite: Li (15.05, 9.259, 13.01) [0.7408, 0.4558, 0.6405]\n", + " PeriodicSite: Li (14.81, 18.17, 3.383) [0.7291, 0.8946, 0.1665]\n", + " PeriodicSite: Li (18.05, 4.586, 14.02) [0.8885, 0.2258, 0.69]\n", + " PeriodicSite: Li (9.611, 3.109, 2.743) [0.4732, 0.153, 0.135]\n", + " PeriodicSite: Li (9.514, 2.096, 11.98) [0.4684, 0.1032, 0.5898]\n", + " PeriodicSite: Li (6.882, 10.46, 3.62) [0.3388, 0.515, 0.1782]\n", + " PeriodicSite: Li (6.623, 12.16, 14.94) [0.3261, 0.5988, 0.7353]\n", + " PeriodicSite: Li (17.94, 2.849, 4.415) [0.8832, 0.1403, 0.2174]\n", + " PeriodicSite: Li (12.9, 3.572, 9.882) [0.635, 0.1758, 0.4865]\n", + " PeriodicSite: Li (19.54, 11.85, 1.488) [0.9619, 0.5832, 0.07328]\n", + " PeriodicSite: Li (17.68, 10.89, 14.5) [0.8704, 0.5363, 0.714]\n", + " PeriodicSite: Li (5.354, 18.88, 6.378) [0.2636, 0.9296, 0.314]\n", + " PeriodicSite: Li (8.37, 2.834, 14.57) [0.4121, 0.1395, 0.7175]\n", + " PeriodicSite: Li (7.275, 13.34, 0.1825) [0.3582, 0.6569, 0.008989]\n", + " PeriodicSite: Li (10.23, 13.19, 13.62) [0.5034, 0.6494, 0.6706]\n", + " PeriodicSite: Li (13.08, 0.03977, 2.918) [0.6439, 0.001952, 0.1437]\n", + " PeriodicSite: Li (18.94, 2.649, 10.63) [0.9326, 0.1304, 0.5234]\n", + " PeriodicSite: Li (17.53, 14.54, 2.257) [0.8632, 0.7158, 0.1111]\n", + " PeriodicSite: Li (16.76, 15.03, 12.56) [0.8251, 0.7398, 0.6185]\n", + " PeriodicSite: Li (8.49, 5.127, 6.546) [0.418, 0.2524, 0.3223]\n", + " PeriodicSite: Li (6.956, 0.4088, 13.29) [0.3424, 0.02012, 0.6542]\n", + " PeriodicSite: Li (9.896, 12.45, 2.533) [0.4872, 0.6129, 0.1247]\n", + " PeriodicSite: Li (5.593, 13.17, 11.75) [0.2754, 0.6485, 0.5782]\n", + " PeriodicSite: Li (19.84, 2.849, 1.594) [0.9767, 0.1403, 0.07849]\n", + " PeriodicSite: Li (0.3234, 8.239, 11.93) [0.01592, 0.4056, 0.5872]\n", + " PeriodicSite: Li (15.64, 12.88, 0.841) [0.7699, 0.6342, 0.04141]\n", + " PeriodicSite: Li (15.62, 12.05, 13.48) [0.7692, 0.5934, 0.6634]\n", + " PeriodicSite: Li (2.454, 0.747, 5.233) [0.1208, 0.03678, 0.2576]\n", + " PeriodicSite: Li (5.499, 2.331, 14.15) [0.2707, 0.1147, 0.6967]\n", + " PeriodicSite: Li (5.442, 13.31, 2.168) [0.2679, 0.6553, 0.1067]\n", + " PeriodicSite: Li (8.788, 6.78, 15.68) [0.4327, 0.3338, 0.7719]\n", + " PeriodicSite: Li (17.38, 5.019, 1.924) [0.8558, 0.2471, 0.09475]\n", + " PeriodicSite: Li (16.98, 20.28, 13.53) [0.836, 0.9985, 0.6659]\n", + " PeriodicSite: Li (14.28, 14.77, 18.64) [0.7028, 0.7272, 0.9178]\n", + " PeriodicSite: Li (17.55, 12.84, 10.73) [0.8638, 0.6323, 0.5285]\n", + " PeriodicSite: Li (6.609, 3.54, 0.2354) [0.3254, 0.1743, 0.01159]\n", + " PeriodicSite: Li (4.668, 3.08, 11.54) [0.2298, 0.1516, 0.5683]\n", + " PeriodicSite: Li (7.878, 10.43, 0.5708) [0.3878, 0.5133, 0.0281]\n", + " PeriodicSite: Li (8.173, 11.83, 10.68) [0.4024, 0.5826, 0.5258]\n", + " PeriodicSite: Li (15.6, 1.905, 3.491) [0.7681, 0.09378, 0.1719]\n", + " PeriodicSite: Li (15.88, 3.035, 10.73) [0.7819, 0.1494, 0.528]\n", + " PeriodicSite: Li (1.714, 12.25, 19.89) [0.08437, 0.6031, 0.9792]\n", + " PeriodicSite: Li (18.85, 13.78, 15.03) [0.9281, 0.6782, 0.7399]\n", + " PeriodicSite: Li (8.112, 0.6169, 1.26) [0.3994, 0.03037, 0.06204]\n", + " PeriodicSite: Li (6.483, 3.559, 9.641) [0.3192, 0.1752, 0.4746]\n", + " PeriodicSite: Li (8.065, 13.49, 4.8) [0.3971, 0.6641, 0.2363]\n", + " PeriodicSite: Li (4.68, 16.01, 12.49) [0.2304, 0.7883, 0.615]\n", + " PeriodicSite: Li (16.98, 3.213, 0.1467) [0.8362, 0.1582, 0.007228]\n", + " PeriodicSite: Li (1.873, 6.217, 14.7) [0.09219, 0.3061, 0.7238]\n", + " PeriodicSite: Li (4.885, 13.69, 8.577) [0.2405, 0.6742, 0.4223]\n", + " PeriodicSite: Li (14.4, 13.15, 9.878) [0.7091, 0.6473, 0.4863]\n", + " PeriodicSite: Li (13.66, 10.7, 6.81) [0.6727, 0.5269, 0.3353]\n", + " PeriodicSite: Li (6.39, 7.923, 15.27) [0.3146, 0.39, 0.7516]\n", + " PeriodicSite: Li (7.353, 15.48, 9.72) [0.362, 0.7623, 0.4785]\n", + " PeriodicSite: Li (4.355, 17.33, 0.165) [0.2144, 0.853, 0.008128]\n", + " PeriodicSite: Li (17.53, 9.908, 6.748) [0.863, 0.4878, 0.3322]\n", + " PeriodicSite: Li (2.329, 4.731, 17.41) [0.1146, 0.2329, 0.857]\n", + " PeriodicSite: Li (17.16, 19.11, 5.401) [0.8446, 0.9407, 0.2659]\n", + " PeriodicSite: Li (20.3, 17.93, 18.5) [0.9995, 0.8827, 0.9109]\n", + " PeriodicSite: Li (6.78, 11.53, 6.485) [0.3338, 0.5676, 0.3193]\n", + " PeriodicSite: Li (7.721, 6.16, 19.26) [0.3801, 0.3033, 0.9481]\n", + " PeriodicSite: Li (7.703, 19.84, 8.329) [0.3792, 0.9769, 0.41]\n", + " PeriodicSite: Li (8.268, 15.39, 16.24) [0.4071, 0.7576, 0.7997]\n", + " PeriodicSite: Li (18.77, 8.347, 9.152) [0.9239, 0.4109, 0.4506]\n", + " PeriodicSite: Li (16.7, 7.081, 19.69) [0.8219, 0.3486, 0.9695]\n", + " PeriodicSite: Li (18.43, 20.0, 7.764) [0.9074, 0.9846, 0.3822]\n", + " PeriodicSite: Li (18.14, 16.75, 16.11) [0.8931, 0.8248, 0.793]\n", + " PeriodicSite: Li (6.417, 7.346, 9.468) [0.3159, 0.3617, 0.4661]\n", + " PeriodicSite: Li (5.009, 4.091, 18.17) [0.2466, 0.2014, 0.8945]\n", + " PeriodicSite: Li (9.693, 18.0, 9.169) [0.4772, 0.8864, 0.4514]\n", + " PeriodicSite: Li (15.0, 12.39, 16.75) [0.7386, 0.6099, 0.8246]\n", + " PeriodicSite: Li (19.47, 7.443, 6.228) [0.9585, 0.3664, 0.3066]\n", + " PeriodicSite: Li (18.77, 5.568, 17.15) [0.9242, 0.2741, 0.8445]\n", + " PeriodicSite: Li (17.02, 17.5, 10.13) [0.8378, 0.8615, 0.4985]\n", + " PeriodicSite: Li (17.07, 15.35, 18.94) [0.8405, 0.7557, 0.9326]\n", + " PeriodicSite: Li (9.404, 8.285, 8.376) [0.463, 0.4079, 0.4124]\n", + " PeriodicSite: Li (6.256, 6.493, 1.351) [0.308, 0.3197, 0.06653]\n", + " PeriodicSite: Li (5.413, 17.01, 8.728) [0.2665, 0.8372, 0.4297]\n", + " PeriodicSite: Li (7.659, 15.19, 2.629) [0.3771, 0.7476, 0.1294]\n", + " PeriodicSite: Li (15.49, 7.13, 8.761) [0.7628, 0.351, 0.4313]\n", + " PeriodicSite: Li (19.95, 8.523, 18.23) [0.982, 0.4196, 0.8977]\n", + " PeriodicSite: Li (15.11, 18.29, 6.894) [0.7438, 0.9007, 0.3394]\n", + " PeriodicSite: Li (14.17, 18.47, 14.9) [0.6977, 0.9092, 0.7337]\n", + " PeriodicSite: Li (7.785, 4.975, 12.81) [0.3833, 0.2449, 0.6306]\n", + " PeriodicSite: Li (5.438, 7.068, 18.12) [0.2677, 0.348, 0.8919]\n", + " PeriodicSite: Li (8.935, 17.89, 5.722) [0.4399, 0.8806, 0.2817]\n", + " PeriodicSite: Li (10.71, 18.99, 1.649) [0.5273, 0.9351, 0.08119]\n", + " PeriodicSite: Li (15.92, 8.021, 5.442) [0.7837, 0.3949, 0.2679]\n", + " PeriodicSite: Li (13.45, 6.32, 18.75) [0.6622, 0.3111, 0.9233]\n", + " PeriodicSite: Li (19.98, 17.97, 8.216) [0.9835, 0.8845, 0.4045]\n", + " PeriodicSite: Li (18.33, 0.09337, 1.825) [0.9026, 0.004588, 0.08985]\n", + " PeriodicSite: Li (4.128, 9.498, 2.838) [0.2032, 0.4676, 0.1397]\n", + " PeriodicSite: Li (9.841, 8.504, 18.6) [0.4845, 0.4187, 0.9156]\n", + " PeriodicSite: Li (9.059, 15.45, 7.233) [0.446, 0.7608, 0.3561]\n", + " PeriodicSite: Li (7.491, 20.22, 16.09) [0.3688, 0.9953, 0.7923]\n", + " PeriodicSite: Li (17.95, 5.459, 7.262) [0.8836, 0.2688, 0.3575]\n", + " PeriodicSite: Li (18.78, 11.29, 18.94) [0.9244, 0.5558, 0.9325]\n", + " PeriodicSite: Li (3.344, 15.07, 1.854) [0.1646, 0.7418, 0.09126]\n", + " PeriodicSite: Li (16.46, 2.143, 15.24) [0.8103, 0.1055, 0.7501]\n", + " PeriodicSite: Cl (7.993, 12.53, 12.9) [0.3935, 0.6167, 0.6349]\n", + " PeriodicSite: Cl (2.79, 12.33, 17.73) [0.1373, 0.6072, 0.8729]\n", + " PeriodicSite: Cl (12.47, 17.87, 12.73) [0.6138, 0.8798, 0.6266]\n", + " PeriodicSite: Cl (17.7, 7.824, 17.77) [0.8715, 0.3852, 0.8749]\n", + " PeriodicSite: Cl (7.44, 2.664, 2.295) [0.3663, 0.1311, 0.113]\n", + " PeriodicSite: Cl (7.403, 7.359, 7.504) [0.3645, 0.3623, 0.3694]\n", + " PeriodicSite: Cl (12.57, 13.0, 7.978) [0.6188, 0.6402, 0.3927]\n", + " PeriodicSite: Cl (2.201, 7.934, 2.593) [0.1083, 0.3906, 0.1276]\n", + " PeriodicSite: Cl (2.439, 7.619, 12.72) [0.1201, 0.3751, 0.6264]\n", + " PeriodicSite: Cl (12.82, 12.82, 17.94) [0.6311, 0.631, 0.8833]\n", + " PeriodicSite: Cl (17.58, 17.69, 18.02) [0.8655, 0.871, 0.8869]\n", + " PeriodicSite: Cl (2.586, 2.117, 7.186) [0.1273, 0.1042, 0.3538]\n", + " PeriodicSite: Cl (12.89, 2.47, 17.63) [0.6346, 0.1216, 0.8678]\n", + " PeriodicSite: Cl (12.78, 7.769, 2.65) [0.629, 0.3825, 0.1305]\n", + " PeriodicSite: Cl (17.29, 2.48, 12.63) [0.8511, 0.1221, 0.622]\n", + " PeriodicSite: Cl (8.127, 17.53, 17.36) [0.4001, 0.8632, 0.8548]\n", + " PeriodicSite: Cl (0.6459, 19.56, 20.31) [0.0318, 0.9632, 0.9997]\n", + " PeriodicSite: Cl (0.002036, 19.74, 9.567) [9.375e-05, 0.9717, 0.471]\n", + " PeriodicSite: Cl (0.03947, 10.31, 0.004406) [0.001938, 0.5077, 0.0002177]\n", + " PeriodicSite: Cl (20.12, 10.22, 10.32) [0.9906, 0.5029, 0.5079]\n", + " PeriodicSite: Cl (9.907, 0.1334, 20.29) [0.4877, 0.006563, 0.9987]\n", + " PeriodicSite: Cl (10.05, 0.1826, 9.282) [0.4947, 0.008985, 0.4569]\n", + " PeriodicSite: Cl (10.16, 10.08, 20.1) [0.5002, 0.496, 0.9894]\n", + " PeriodicSite: Cl (10.17, 10.16, 10.22) [0.5005, 0.5, 0.503]\n", + " PeriodicSite: Cl (20.01, 4.688, 5.297) [0.9854, 0.2308, 0.2608]\n", + " PeriodicSite: Cl (0.2664, 4.773, 15.7) [0.01312, 0.235, 0.7729]\n", + " PeriodicSite: Cl (0.1054, 15.26, 5.187) [0.005181, 0.7512, 0.2554]\n", + " PeriodicSite: Cl (0.4402, 15.06, 15.45) [0.02167, 0.7412, 0.7606]\n", + " PeriodicSite: Cl (10.33, 5.152, 4.914) [0.5084, 0.2536, 0.2419]\n", + " PeriodicSite: Cl (9.539, 4.916, 14.59) [0.4696, 0.242, 0.7182]\n", + " PeriodicSite: Cl (9.796, 15.58, 4.802) [0.4823, 0.7668, 0.2364]\n", + " PeriodicSite: Cl (10.35, 15.43, 14.86) [0.5097, 0.7596, 0.7317]\n", + " PeriodicSite: S (4.923, 0.2472, 4.764) [0.2424, 0.01217, 0.2345]\n", + " PeriodicSite: S (5.368, 20.2, 15.27) [0.2643, 0.9945, 0.7515]\n", + " PeriodicSite: S (4.878, 10.09, 5.305) [0.2401, 0.4967, 0.2611]\n", + " PeriodicSite: S (5.226, 10.2, 14.96) [0.2573, 0.5024, 0.7364]\n", + " PeriodicSite: S (14.59, 19.99, 5.181) [0.7184, 0.984, 0.2551]\n", + " PeriodicSite: S (15.34, 0.01017, 15.28) [0.755, 0.000495, 0.7524]\n", + " PeriodicSite: S (15.46, 10.46, 5.159) [0.7609, 0.5148, 0.254]\n", + " PeriodicSite: S (15.66, 10.39, 15.42) [0.771, 0.5113, 0.7591]\n", + " PeriodicSite: S (5.125, 5.365, 19.95) [0.2523, 0.2641, 0.982]\n", + " PeriodicSite: S (4.864, 5.0, 10.12) [0.2395, 0.2462, 0.4982]\n", + " PeriodicSite: S (5.24, 14.83, 0.1894) [0.2579, 0.7299, 0.009329]\n", + " PeriodicSite: S (4.849, 15.27, 10.23) [0.2387, 0.752, 0.5037]\n", + " PeriodicSite: S (15.22, 5.292, 20.01) [0.7494, 0.2605, 0.9853]\n", + " PeriodicSite: S (14.53, 5.175, 9.973) [0.7155, 0.2548, 0.491]\n", + " PeriodicSite: S (15.29, 15.43, 0.3712) [0.7527, 0.7597, 0.01828]\n", + " PeriodicSite: S (15.42, 15.41, 10.5) [0.7594, 0.7589, 0.5169]\n", + " PeriodicSite: S (8.677, 3.521, 8.687) [0.4272, 0.1733, 0.4277]\n", + " PeriodicSite: S (8.94, 3.887, 19.03) [0.4401, 0.1914, 0.9368]\n", + " PeriodicSite: S (9.092, 13.89, 9.14) [0.4476, 0.6839, 0.45]\n", + " PeriodicSite: S (8.733, 14.38, 18.77) [0.4299, 0.708, 0.9239]\n", + " PeriodicSite: S (18.62, 4.092, 8.998) [0.9169, 0.2014, 0.443]\n", + " PeriodicSite: S (19.26, 4.1, 19.12) [0.948, 0.2018, 0.9415]\n", + " PeriodicSite: S (18.73, 14.08, 9.047) [0.9223, 0.693, 0.4454]\n", + " PeriodicSite: S (18.74, 13.77, 19.59) [0.9228, 0.6778, 0.9643]\n", + " PeriodicSite: S (3.8, 1.346, 1.037) [0.1871, 0.06628, 0.05107]\n", + " PeriodicSite: S (3.712, 0.8476, 11.23) [0.1828, 0.04173, 0.5526]\n", + " PeriodicSite: S (3.772, 11.17, 1.079) [0.1857, 0.5497, 0.05311]\n", + " PeriodicSite: S (4.157, 11.22, 11.91) [0.2046, 0.5522, 0.5865]\n", + " PeriodicSite: S (13.77, 1.352, 1.196) [0.6781, 0.06654, 0.05888]\n", + " PeriodicSite: S (13.83, 1.383, 11.1) [0.6807, 0.06806, 0.5466]\n", + " PeriodicSite: S (14.0, 11.15, 1.651) [0.6893, 0.549, 0.08127]\n", + " PeriodicSite: S (14.14, 11.24, 11.39) [0.6964, 0.5536, 0.5606]\n", + " PeriodicSite: S (6.195, 1.149, 8.927) [0.305, 0.05658, 0.4395]\n", + " PeriodicSite: S (6.409, 1.54, 19.1) [0.3155, 0.07583, 0.9402]\n", + " PeriodicSite: S (6.243, 11.86, 9.296) [0.3074, 0.5838, 0.4577]\n", + " PeriodicSite: S (6.521, 10.95, 19.13) [0.321, 0.539, 0.9416]\n", + " PeriodicSite: S (16.65, 1.145, 9.251) [0.8196, 0.05638, 0.4554]\n", + " PeriodicSite: S (16.48, 1.136, 19.37) [0.8114, 0.05591, 0.9536]\n", + " PeriodicSite: S (16.6, 11.37, 8.932) [0.8171, 0.5596, 0.4398]\n", + " PeriodicSite: S (16.07, 11.34, 19.22) [0.7909, 0.5584, 0.9461]\n", + " PeriodicSite: S (1.329, 4.456, 1.253) [0.06541, 0.2194, 0.06166]\n", + " PeriodicSite: S (0.5236, 3.892, 11.58) [0.02578, 0.1916, 0.5699]\n", + " PeriodicSite: S (1.005, 13.46, 1.408) [0.04945, 0.6627, 0.06933]\n", + " PeriodicSite: S (0.7474, 13.61, 11.37) [0.03679, 0.6699, 0.5596]\n", + " PeriodicSite: S (11.32, 3.889, 1.022) [0.5572, 0.1914, 0.05031]\n", + " PeriodicSite: S (10.81, 4.097, 11.29) [0.5324, 0.2017, 0.5558]\n", + " PeriodicSite: S (11.03, 14.25, 0.9613) [0.5429, 0.7013, 0.04733]\n", + " PeriodicSite: S (11.46, 13.99, 11.47) [0.5642, 0.6887, 0.5647]\n", + " PeriodicSite: S (2.971, 2.561, 17.76) [0.1463, 0.1261, 0.8743]\n", + " PeriodicSite: S (2.491, 12.68, 7.775) [0.1226, 0.6245, 0.3828]\n", + " PeriodicSite: S (12.7, 2.429, 7.69) [0.6251, 0.1196, 0.3786]\n", + " PeriodicSite: S (9.09, 9.276, 3.617) [0.4475, 0.4566, 0.1781]\n", + " PeriodicSite: S (9.04, 8.847, 13.81) [0.445, 0.4355, 0.68]\n", + " PeriodicSite: S (9.007, 19.2, 3.763) [0.4434, 0.945, 0.1853]\n", + " PeriodicSite: S (9.234, 19.39, 13.95) [0.4546, 0.9548, 0.6868]\n", + " PeriodicSite: S (19.07, 8.95, 4.224) [0.9388, 0.4406, 0.208]\n", + " PeriodicSite: S (19.03, 9.052, 14.34) [0.9369, 0.4457, 0.7058]\n", + " PeriodicSite: S (18.91, 18.77, 3.711) [0.9309, 0.9238, 0.1827]\n", + " PeriodicSite: S (19.25, 18.52, 14.66) [0.9479, 0.9116, 0.7217]\n", + " PeriodicSite: S (3.274, 6.204, 6.386) [0.1612, 0.3054, 0.3144]\n", + " PeriodicSite: S (3.95, 6.345, 16.32) [0.1944, 0.3124, 0.8036]\n", + " PeriodicSite: S (3.976, 16.45, 6.436) [0.1957, 0.8098, 0.3168]\n", + " PeriodicSite: S (4.283, 16.41, 16.88) [0.2108, 0.808, 0.8312]\n", + " PeriodicSite: S (14.14, 6.278, 6.265) [0.696, 0.3091, 0.3085]\n", + " PeriodicSite: S (14.57, 6.608, 16.68) [0.7172, 0.3253, 0.8214]\n", + " PeriodicSite: S (13.61, 16.28, 6.15) [0.6699, 0.8017, 0.3028]\n", + " PeriodicSite: S (13.94, 16.4, 16.52) [0.6863, 0.8074, 0.8132]\n", + " PeriodicSite: S (5.451, 6.567, 3.829) [0.2684, 0.3233, 0.1885]\n", + " PeriodicSite: S (5.906, 6.257, 13.63) [0.2907, 0.308, 0.671]\n", + " PeriodicSite: S (6.268, 16.76, 3.945) [0.3086, 0.825, 0.1942]\n", + " PeriodicSite: S (6.579, 16.12, 14.29) [0.3239, 0.7936, 0.7037]\n", + " PeriodicSite: S (16.48, 6.28, 3.892) [0.8112, 0.3092, 0.1916]\n", + " PeriodicSite: S (16.28, 6.564, 13.84) [0.8014, 0.3232, 0.6816]\n", + " PeriodicSite: S (16.41, 16.09, 3.773) [0.8079, 0.7923, 0.1858]\n", + " PeriodicSite: S (16.4, 16.42, 14.51) [0.8075, 0.8084, 0.7146]\n", + " PeriodicSite: S (0.9498, 9.107, 6.684) [0.04676, 0.4483, 0.3291]\n", + " PeriodicSite: S (1.124, 8.786, 16.58) [0.05532, 0.4326, 0.8164]\n", + " PeriodicSite: S (1.025, 19.28, 6.002) [0.05043, 0.9491, 0.2955]\n", + " PeriodicSite: S (1.534, 18.81, 17.09) [0.07549, 0.9259, 0.8413]\n", + " PeriodicSite: S (11.31, 9.075, 6.183) [0.557, 0.4467, 0.3044]\n", + " PeriodicSite: S (11.11, 8.875, 16.51) [0.5472, 0.4369, 0.813]\n", + " PeriodicSite: S (10.93, 19.44, 6.391) [0.538, 0.9569, 0.3147]\n", + " PeriodicSite: S (11.78, 19.31, 16.35) [0.5801, 0.9506, 0.8047]\n", + " PeriodicSite: S (2.686, 17.55, 2.577) [0.1322, 0.864, 0.1269]\n", + " PeriodicSite: S (2.683, 17.35, 13.02) [0.1321, 0.8543, 0.6408]\n", + " PeriodicSite: S (12.72, 7.746, 12.77) [0.6261, 0.3814, 0.6288]\n", + " PeriodicSite: S (12.46, 18.07, 2.615) [0.6136, 0.8895, 0.1287]\n", + " PeriodicSite: S (3.281, 3.95, 4.085) [0.1616, 0.1944, 0.2011]\n", + " PeriodicSite: S (3.639, 3.925, 14.01) [0.1792, 0.1932, 0.6897]\n", + " PeriodicSite: S (4.131, 14.18, 4.022) [0.2034, 0.6983, 0.198]\n", + " PeriodicSite: S (3.908, 14.15, 14.03) [0.1924, 0.6965, 0.6908]\n", + " PeriodicSite: S (14.07, 4.071, 3.564) [0.6926, 0.2004, 0.1755]\n", + " PeriodicSite: S (13.9, 4.149, 14.61) [0.6845, 0.2042, 0.7195]\n", + " PeriodicSite: S (13.76, 14.11, 3.794) [0.6775, 0.6948, 0.1868]\n", + " PeriodicSite: S (14.02, 13.79, 14.53) [0.6902, 0.6788, 0.7153]\n", + " PeriodicSite: S (8.759, 1.755, 5.785) [0.4312, 0.08638, 0.2848]\n", + " PeriodicSite: S (9.326, 1.369, 16.37) [0.4592, 0.06739, 0.8058]\n", + " PeriodicSite: S (9.223, 11.65, 6.286) [0.4541, 0.5734, 0.3095]\n", + " PeriodicSite: S (9.061, 11.3, 16.3) [0.4461, 0.5564, 0.8026]\n", + " PeriodicSite: S (18.65, 0.9893, 5.774) [0.9183, 0.04869, 0.2842]\n", + " PeriodicSite: S (19.34, 0.6562, 16.97) [0.952, 0.0323, 0.8354]\n", + " PeriodicSite: S (19.16, 11.53, 6.454) [0.9433, 0.5678, 0.3177]\n", + " PeriodicSite: S (19.58, 11.68, 16.73) [0.9639, 0.5749, 0.8236]\n", + " PeriodicSite: S (0.6303, 1.036, 3.374) [0.03103, 0.05099, 0.1661]\n", + " PeriodicSite: S (1.465, 0.5323, 14.5) [0.07212, 0.02621, 0.7139]\n", + " PeriodicSite: S (1.289, 11.26, 4.046) [0.06345, 0.5543, 0.1992]\n", + " PeriodicSite: S (1.33, 11.33, 14.27) [0.06549, 0.558, 0.7023]\n", + " PeriodicSite: S (11.46, 1.367, 3.767) [0.5642, 0.06732, 0.1855]\n", + " PeriodicSite: S (11.32, 1.587, 14.08) [0.5574, 0.07813, 0.6933]\n", + " PeriodicSite: S (11.6, 11.62, 4.034) [0.5709, 0.5722, 0.1986]\n", + " PeriodicSite: S (11.56, 11.15, 14.12) [0.5691, 0.5488, 0.695]\n", + " PeriodicSite: S (6.063, 4.003, 5.877) [0.2985, 0.197, 0.2893]\n", + " PeriodicSite: S (6.411, 3.958, 16.0) [0.3156, 0.1949, 0.7879]\n", + " PeriodicSite: S (6.496, 14.23, 6.307) [0.3198, 0.7005, 0.3105]\n", + " PeriodicSite: S (6.065, 13.78, 16.7) [0.2986, 0.6786, 0.8223]\n", + " PeriodicSite: S (16.4, 3.785, 6.113) [0.8075, 0.1863, 0.3009]\n", + " PeriodicSite: S (16.85, 4.296, 16.15) [0.8294, 0.2115, 0.7953]\n", + " PeriodicSite: S (15.83, 13.89, 6.329) [0.7793, 0.6838, 0.3116]\n", + " PeriodicSite: S (16.6, 13.92, 16.66) [0.8174, 0.6853, 0.82]\n", + " PeriodicSite: S (7.074, 2.811, 12.57) [0.3483, 0.1384, 0.619]\n", + " PeriodicSite: S (7.559, 12.58, 2.473) [0.3721, 0.6192, 0.1217]\n", + " PeriodicSite: S (17.59, 2.65, 2.237) [0.8662, 0.1305, 0.1101]\n", + " PeriodicSite: S (17.65, 12.23, 2.921) [0.869, 0.6022, 0.1438]\n", + " PeriodicSite: S (17.68, 12.79, 13.22) [0.8702, 0.6298, 0.6507]\n", + " PeriodicSite: S (3.853, 9.411, 9.214) [0.1897, 0.4633, 0.4536]\n", + " PeriodicSite: S (4.031, 8.958, 18.97) [0.1984, 0.441, 0.934]\n", + " PeriodicSite: S (3.973, 18.96, 8.651) [0.1956, 0.9336, 0.4259]\n", + " PeriodicSite: S (4.374, 19.56, 18.89) [0.2153, 0.9629, 0.9299]\n", + " PeriodicSite: S (14.05, 9.098, 8.904) [0.6915, 0.4479, 0.4384]\n", + " PeriodicSite: S (13.52, 8.951, 19.34) [0.6654, 0.4407, 0.9519]\n", + " PeriodicSite: S (14.24, 19.25, 9.013) [0.7011, 0.9478, 0.4437]\n", + " PeriodicSite: S (13.92, 19.34, 19.27) [0.6855, 0.9519, 0.9488]\n", + " PeriodicSite: S (9.036, 6.288, 1.311) [0.4448, 0.3096, 0.06453]\n", + " PeriodicSite: S (8.363, 6.129, 10.97) [0.4117, 0.3017, 0.54]\n", + " PeriodicSite: S (8.821, 16.59, 0.8657) [0.4343, 0.8168, 0.04263]\n", + " PeriodicSite: S (8.946, 16.21, 11.51) [0.4404, 0.7983, 0.5668]\n", + " PeriodicSite: S (18.93, 6.479, 0.8636) [0.9319, 0.3189, 0.04252]\n", + " PeriodicSite: S (18.93, 6.709, 11.2) [0.9319, 0.3303, 0.5513]\n", + " PeriodicSite: S (19.37, 16.25, 1.558) [0.9534, 0.8002, 0.07669]\n", + " PeriodicSite: S (19.0, 16.35, 11.44) [0.9354, 0.8051, 0.563]\n", + " PeriodicSite: S (0.993, 6.229, 9.084) [0.04889, 0.3066, 0.4472]\n", + " PeriodicSite: S (1.4, 6.571, 19.12) [0.06892, 0.3235, 0.9412]\n", + " PeriodicSite: S (1.178, 16.05, 9.196) [0.05801, 0.79, 0.4528]\n", + " PeriodicSite: S (1.32, 15.65, 19.25) [0.065, 0.7706, 0.9479]\n", + " PeriodicSite: S (10.86, 6.303, 8.614) [0.5345, 0.3103, 0.4241]\n", + " PeriodicSite: S (11.18, 6.445, 19.19) [0.5504, 0.3173, 0.945]\n", + " PeriodicSite: S (11.24, 16.14, 8.94) [0.5533, 0.7946, 0.4401]\n", + " PeriodicSite: S (11.36, 16.37, 18.95) [0.559, 0.806, 0.9328]\n", + " PeriodicSite: S (6.101, 8.965, 1.477) [0.3003, 0.4413, 0.07271]\n", + " PeriodicSite: S (6.666, 9.14, 11.08) [0.3282, 0.45, 0.5457]\n", + " PeriodicSite: S (6.238, 19.21, 1.179) [0.3071, 0.9457, 0.05806]\n", + " PeriodicSite: S (6.177, 19.08, 11.36) [0.3041, 0.9394, 0.5592]\n", + " PeriodicSite: S (16.18, 8.607, 0.9456) [0.7964, 0.4237, 0.04656]\n", + " PeriodicSite: S (16.66, 8.715, 11.02) [0.8203, 0.429, 0.5426]\n", + " PeriodicSite: S (16.05, 19.17, 1.61) [0.7903, 0.9439, 0.07929]\n", + " PeriodicSite: S (16.12, 19.13, 11.8) [0.7934, 0.9418, 0.5809]\n", + " PeriodicSite: S (7.523, 7.846, 17.34) [0.3704, 0.3863, 0.8535]\n", + " PeriodicSite: S (7.794, 17.55, 7.903) [0.3837, 0.864, 0.3891]\n", + " PeriodicSite: S (17.56, 7.801, 7.333) [0.8643, 0.3841, 0.361]\n", + " PeriodicSite: S (17.59, 17.92, 7.32) [0.8661, 0.882, 0.3604]\n", + " PeriodicSite: P (5.291, 0.28, 0.0315) [0.2605, 0.01378, 0.001552]\n", + " PeriodicSite: P (4.979, 20.12, 9.997) [0.2451, 0.9906, 0.4921]\n", + " PeriodicSite: P (5.134, 10.07, 0.0004229) [0.2527, 0.4959, 2.303e-05]\n", + " PeriodicSite: P (5.212, 10.4, 10.3) [0.2566, 0.5121, 0.5071]\n", + " PeriodicSite: P (15.16, 0.1415, 0.2665) [0.7465, 0.006957, 0.01312]\n", + " PeriodicSite: P (15.32, 0.05719, 10.31) [0.754, 0.002809, 0.5076]\n", + " PeriodicSite: P (14.96, 9.971, 0.06819) [0.7364, 0.4909, 0.003362]\n", + " PeriodicSite: P (15.43, 10.1, 10.04) [0.7595, 0.4974, 0.4941]\n", + " PeriodicSite: P (4.521, 5.201, 4.987) [0.2226, 0.256, 0.2455]\n", + " PeriodicSite: P (4.989, 5.068, 15.08) [0.2456, 0.2495, 0.7424]\n", + " PeriodicSite: P (5.275, 15.42, 5.199) [0.2597, 0.7593, 0.256]\n", + " PeriodicSite: P (5.165, 15.08, 15.32) [0.2543, 0.7425, 0.7543]\n", + " PeriodicSite: P (15.17, 5.13, 4.945) [0.7468, 0.2525, 0.2435]\n", + " PeriodicSite: P (15.35, 5.45, 15.33) [0.7557, 0.2683, 0.7545]\n", + " PeriodicSite: P (15.05, 15.14, 5.098) [0.7411, 0.7454, 0.251]\n", + " PeriodicSite: P (15.27, 15.14, 15.55) [0.7519, 0.7456, 0.7654]\n", + " PeriodicSite: P (19.97, 20.14, 4.779) [0.983, 0.9915, 0.2353]\n", + " PeriodicSite: P (0.1879, 19.76, 15.72) [0.009244, 0.9728, 0.7737]\n", + " PeriodicSite: P (0.06691, 10.17, 5.307) [0.003291, 0.5005, 0.2613]\n", + " PeriodicSite: P (0.0602, 10.15, 15.39) [0.002963, 0.4996, 0.7578]\n", + " PeriodicSite: P (10.05, 0.3511, 4.874) [0.4949, 0.01728, 0.24]\n", + " PeriodicSite: P (10.51, 0.09016, 15.26) [0.5176, 0.004435, 0.7511]\n", + " PeriodicSite: P (10.3, 10.32, 4.923) [0.5073, 0.5082, 0.2424]\n", + " PeriodicSite: P (10.16, 10.03, 15.11) [0.5003, 0.4938, 0.7436]\n", + " PeriodicSite: P (0.09666, 5.407, 20.25) [0.004762, 0.2662, 0.9969]\n", + " PeriodicSite: P (19.98, 5.228, 10.24) [0.9837, 0.2574, 0.5043]\n", + " PeriodicSite: P (0.05127, 14.82, 0.3611) [0.002517, 0.7297, 0.01778]\n", + " PeriodicSite: P (20.08, 15.05, 10.23) [0.9884, 0.7407, 0.5036]\n", + " PeriodicSite: P (9.986, 5.112, 20.25) [0.4916, 0.2517, 0.9969]\n", + " PeriodicSite: P (9.711, 4.946, 9.743) [0.4781, 0.2435, 0.4796]\n", + " PeriodicSite: P (9.969, 15.38, 20.04) [0.4908, 0.7573, 0.9867]\n", + " PeriodicSite: P (10.22, 15.11, 10.39) [0.503, 0.7438, 0.5113],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.308, 5.317, 3.354) [0.06441, 0.2618, 0.1651]\n", + " PeriodicSite: Li (2.032, 3.105, 15.67) [0.1, 0.1529, 0.7714]\n", + " PeriodicSite: Li (0.2759, 12.23, 8.149) [0.01358, 0.6023, 0.4012]\n", + " PeriodicSite: Li (0.619, 13.92, 17.42) [0.03047, 0.6855, 0.8574]\n", + " PeriodicSite: Li (14.81, 1.01, 7.162) [0.7293, 0.04974, 0.3526]\n", + " PeriodicSite: Li (12.05, 2.846, 15.25) [0.5934, 0.1401, 0.7508]\n", + " PeriodicSite: Li (16.9, 12.53, 5.281) [0.832, 0.6169, 0.26]\n", + " PeriodicSite: Li (17.13, 8.109, 14.95) [0.8432, 0.3992, 0.736]\n", + " PeriodicSite: Li (4.779, 4.666, 7.859) [0.2353, 0.2297, 0.3869]\n", + " PeriodicSite: Li (2.431, 20.27, 19.14) [0.1197, 0.9978, 0.9421]\n", + " PeriodicSite: Li (2.993, 8.009, 4.874) [0.1474, 0.3943, 0.24]\n", + " PeriodicSite: Li (7.087, 10.01, 17.28) [0.3489, 0.4927, 0.8507]\n", + " PeriodicSite: Li (11.9, 4.551, 6.784) [0.5858, 0.224, 0.334]\n", + " PeriodicSite: Li (13.5, 3.466, 0.3046) [0.6647, 0.1706, 0.015]\n", + " PeriodicSite: Li (11.74, 9.701, 11.85) [0.5779, 0.4776, 0.5836]\n", + " PeriodicSite: Li (9.849, 18.47, 18.06) [0.4849, 0.9094, 0.8891]\n", + " PeriodicSite: Li (5.133, 1.554, 6.57) [0.2527, 0.07652, 0.3234]\n", + " PeriodicSite: Li (3.009, 0.02966, 15.48) [0.1481, 0.00146, 0.7621]\n", + " PeriodicSite: Li (3.294, 10.4, 7.158) [0.1622, 0.5119, 0.3524]\n", + " PeriodicSite: Li (6.753, 10.06, 13.3) [0.3325, 0.4952, 0.6546]\n", + " PeriodicSite: Li (12.21, 0.119, 8.167) [0.6012, 0.005854, 0.4021]\n", + " PeriodicSite: Li (10.73, 1.769, 18.47) [0.5284, 0.08709, 0.9093]\n", + " PeriodicSite: Li (13.78, 15.31, 8.212) [0.6785, 0.7539, 0.4043]\n", + " PeriodicSite: Li (12.54, 11.26, 19.99) [0.6176, 0.5545, 0.9842]\n", + " PeriodicSite: Li (0.8633, 3.835, 7.077) [0.0425, 0.1888, 0.3484]\n", + " PeriodicSite: Li (0.2996, 2.236, 18.61) [0.01475, 0.1101, 0.9164]\n", + " PeriodicSite: Li (1.76, 14.74, 6.859) [0.08664, 0.7255, 0.3377]\n", + " PeriodicSite: Li (4.522, 14.13, 18.28) [0.2226, 0.6958, 0.9002]\n", + " PeriodicSite: Li (13.16, 1.613, 5.182) [0.6478, 0.07941, 0.2551]\n", + " PeriodicSite: Li (13.78, 0.3103, 17.07) [0.6785, 0.01527, 0.8405]\n", + " PeriodicSite: Li (10.47, 12.08, 7.939) [0.5154, 0.5949, 0.3908]\n", + " PeriodicSite: Li (15.88, 17.57, 20.07) [0.782, 0.8648, 0.9882]\n", + " PeriodicSite: Li (6.758, 0.5125, 4.295) [0.3327, 0.02523, 0.2114]\n", + " PeriodicSite: Li (1.186, 17.51, 0.4841) [0.05837, 0.8621, 0.02383]\n", + " PeriodicSite: Li (2.749, 13.74, 10.26) [0.1353, 0.6764, 0.5052]\n", + " PeriodicSite: Li (2.078, 17.1, 15.17) [0.1023, 0.8419, 0.7468]\n", + " PeriodicSite: Li (14.69, 4.36, 8.011) [0.7232, 0.2147, 0.3944]\n", + " PeriodicSite: Li (14.29, 4.719, 18.06) [0.7035, 0.2323, 0.8891]\n", + " PeriodicSite: Li (17.02, 15.36, 8.584) [0.8378, 0.7564, 0.4226]\n", + " PeriodicSite: Li (9.949, 11.59, 18.15) [0.4898, 0.5708, 0.8936]\n", + " PeriodicSite: Li (4.871, 2.111, 2.957) [0.2398, 0.1039, 0.1456]\n", + " PeriodicSite: Li (4.883, 0.9245, 17.26) [0.2404, 0.04551, 0.8496]\n", + " PeriodicSite: Li (2.78, 11.89, 5.355) [0.1369, 0.5853, 0.2636]\n", + " PeriodicSite: Li (19.56, 13.07, 4.271) [0.963, 0.6433, 0.2103]\n", + " PeriodicSite: Li (10.21, 1.893, 7.567) [0.5027, 0.09321, 0.3725]\n", + " PeriodicSite: Li (16.8, 19.76, 17.54) [0.827, 0.9726, 0.8635]\n", + " PeriodicSite: Li (15.28, 12.3, 3.101) [0.7521, 0.6054, 0.1527]\n", + " PeriodicSite: Li (15.46, 8.746, 17.44) [0.7613, 0.4306, 0.8584]\n", + " PeriodicSite: Li (3.564, 11.98, 15.17) [0.1755, 0.5897, 0.7467]\n", + " PeriodicSite: Li (2.247, 10.96, 9.715) [0.1106, 0.5398, 0.4783]\n", + " PeriodicSite: Li (1.119, 16.02, 2.853) [0.0551, 0.7886, 0.1405]\n", + " PeriodicSite: Li (1.77, 0.03363, 8.347) [0.08714, 0.001655, 0.411]\n", + " PeriodicSite: Li (12.0, 5.203, 3.376) [0.5908, 0.2561, 0.1662]\n", + " PeriodicSite: Li (13.13, 7.415, 14.66) [0.6463, 0.365, 0.7219]\n", + " PeriodicSite: Li (11.94, 14.45, 5.756) [0.5878, 0.7112, 0.2834]\n", + " PeriodicSite: Li (14.74, 0.2499, 13.28) [0.7257, 0.0123, 0.6538]\n", + " PeriodicSite: Li (3.117, 6.574, 0.321) [0.1534, 0.3237, 0.0158]\n", + " PeriodicSite: Li (2.526, 4.681, 9.816) [0.1243, 0.2304, 0.4833]\n", + " PeriodicSite: Li (7.237, 16.22, 19.24) [0.3563, 0.7987, 0.947]\n", + " PeriodicSite: Li (5.605, 18.02, 15.66) [0.2759, 0.887, 0.7711]\n", + " PeriodicSite: Li (14.49, 6.416, 1.96) [0.7133, 0.3158, 0.09649]\n", + " PeriodicSite: Li (10.41, 6.665, 13.16) [0.5123, 0.3281, 0.6481]\n", + " PeriodicSite: Li (12.07, 17.65, 4.635) [0.5943, 0.8691, 0.2282]\n", + " PeriodicSite: Li (10.62, 17.28, 13.44) [0.5231, 0.8505, 0.6617]\n", + " PeriodicSite: Li (3.57, 10.31, 17.34) [0.1758, 0.5073, 0.8539]\n", + " PeriodicSite: Li (4.545, 6.885, 12.04) [0.2238, 0.339, 0.5926]\n", + " PeriodicSite: Li (4.733, 18.99, 2.896) [0.233, 0.935, 0.1426]\n", + " PeriodicSite: Li (3.215, 17.08, 10.58) [0.1583, 0.8408, 0.5209]\n", + " PeriodicSite: Li (10.72, 8.015, 0.9278) [0.5279, 0.3946, 0.04568]\n", + " PeriodicSite: Li (14.17, 5.458, 12.44) [0.6974, 0.2687, 0.6125]\n", + " PeriodicSite: Li (10.84, 15.86, 2.665) [0.5336, 0.7809, 0.1312]\n", + " PeriodicSite: Li (13.4, 15.24, 12.35) [0.6599, 0.7501, 0.6082]\n", + " PeriodicSite: Li (0.3271, 8.624, 2.137) [0.0161, 0.4245, 0.1052]\n", + " PeriodicSite: Li (16.65, 6.522, 10.67) [0.8196, 0.3211, 0.5254]\n", + " PeriodicSite: Li (3.195, 18.4, 4.752) [0.1573, 0.9061, 0.2339]\n", + " PeriodicSite: Li (0.3924, 17.92, 12.49) [0.01931, 0.8824, 0.6148]\n", + " PeriodicSite: Li (10.35, 7.523, 5.166) [0.5097, 0.3703, 0.2543]\n", + " PeriodicSite: Li (13.07, 10.69, 15.7) [0.6435, 0.5265, 0.7727]\n", + " PeriodicSite: Li (14.87, 15.63, 2.362) [0.7322, 0.7693, 0.1163]\n", + " PeriodicSite: Li (12.36, 14.02, 16.11) [0.6086, 0.6904, 0.7931]\n", + " PeriodicSite: Li (5.943, 8.483, 5.604) [0.2926, 0.4176, 0.2759]\n", + " PeriodicSite: Li (19.7, 11.66, 12.19) [0.9701, 0.5742, 0.6]\n", + " PeriodicSite: Li (19.06, 17.09, 5.449) [0.9382, 0.8413, 0.2683]\n", + " PeriodicSite: Li (4.06, 19.49, 12.88) [0.1999, 0.9593, 0.6339]\n", + " PeriodicSite: Li (17.41, 10.2, 3.139) [0.8571, 0.5021, 0.1545]\n", + " PeriodicSite: Li (13.08, 7.067, 10.19) [0.6438, 0.3479, 0.5018]\n", + " PeriodicSite: Li (13.25, 17.36, 0.3817) [0.6525, 0.8548, 0.0188]\n", + " PeriodicSite: Li (13.99, 17.26, 11.08) [0.6888, 0.8495, 0.5455]\n", + " PeriodicSite: Li (3.209, 3.382, 0.1764) [0.158, 0.1665, 0.008686]\n", + " PeriodicSite: Li (3.626, 9.313, 13.37) [0.1785, 0.4585, 0.6581]\n", + " PeriodicSite: Li (2.051, 19.81, 2.096) [0.1009, 0.9752, 0.1032]\n", + " PeriodicSite: Li (1.871, 15.09, 13.31) [0.09212, 0.743, 0.655]\n", + " PeriodicSite: Li (13.57, 9.858, 3.477) [0.6681, 0.4853, 0.1712]\n", + " PeriodicSite: Li (14.74, 9.098, 12.95) [0.7259, 0.4479, 0.6374]\n", + " PeriodicSite: Li (15.02, 18.63, 3.57) [0.7397, 0.917, 0.1758]\n", + " PeriodicSite: Li (18.35, 4.68, 13.03) [0.9033, 0.2304, 0.6413]\n", + " PeriodicSite: Li (9.687, 3.25, 3.597) [0.4769, 0.16, 0.1771]\n", + " PeriodicSite: Li (9.465, 1.964, 11.09) [0.466, 0.09667, 0.5461]\n", + " PeriodicSite: Li (6.638, 11.07, 3.89) [0.3268, 0.545, 0.1915]\n", + " PeriodicSite: Li (6.137, 12.48, 14.71) [0.3021, 0.6144, 0.7242]\n", + " PeriodicSite: Li (17.92, 2.881, 4.499) [0.8824, 0.1418, 0.2215]\n", + " PeriodicSite: Li (12.92, 3.207, 9.685) [0.6363, 0.1579, 0.4768]\n", + " PeriodicSite: Li (20.12, 12.17, 1.741) [0.9903, 0.5991, 0.08573]\n", + " PeriodicSite: Li (17.31, 11.06, 14.77) [0.852, 0.5445, 0.7271]\n", + " PeriodicSite: Li (5.757, 18.75, 6.619) [0.2834, 0.9229, 0.3259]\n", + " PeriodicSite: Li (8.439, 2.773, 14.62) [0.4155, 0.1365, 0.7195]\n", + " PeriodicSite: Li (7.212, 13.51, 0.1432) [0.355, 0.6649, 0.007055]\n", + " PeriodicSite: Li (9.845, 13.07, 13.84) [0.4847, 0.6434, 0.6812]\n", + " PeriodicSite: Li (13.05, 19.87, 2.986) [0.6424, 0.9781, 0.147]\n", + " PeriodicSite: Li (19.26, 2.28, 10.89) [0.9484, 0.1122, 0.5362]\n", + " PeriodicSite: Li (17.4, 15.1, 2.198) [0.8568, 0.7434, 0.1082]\n", + " PeriodicSite: Li (16.99, 15.0, 12.53) [0.8366, 0.7386, 0.6168]\n", + " PeriodicSite: Li (7.948, 4.914, 6.671) [0.3913, 0.2419, 0.3284]\n", + " PeriodicSite: Li (6.906, 0.2249, 13.16) [0.34, 0.01107, 0.648]\n", + " PeriodicSite: Li (9.999, 12.54, 2.474) [0.4922, 0.6175, 0.1218]\n", + " PeriodicSite: Li (5.774, 13.03, 11.1) [0.2843, 0.6413, 0.5465]\n", + " PeriodicSite: Li (19.98, 2.48, 1.816) [0.9837, 0.1221, 0.08939]\n", + " PeriodicSite: Li (0.01955, 8.323, 11.96) [0.000962, 0.4098, 0.5888]\n", + " PeriodicSite: Li (16.44, 12.87, 0.4703) [0.8093, 0.6334, 0.02316]\n", + " PeriodicSite: Li (15.68, 11.7, 13.1) [0.772, 0.5761, 0.6447]\n", + " PeriodicSite: Li (2.626, 1.076, 5.469) [0.1293, 0.05298, 0.2692]\n", + " PeriodicSite: Li (5.793, 2.348, 14.23) [0.2852, 0.1156, 0.7006]\n", + " PeriodicSite: Li (5.458, 13.38, 2.373) [0.2687, 0.6588, 0.1168]\n", + " PeriodicSite: Li (9.131, 6.993, 15.94) [0.4495, 0.3443, 0.7847]\n", + " PeriodicSite: Li (17.53, 5.099, 2.055) [0.8629, 0.251, 0.1012]\n", + " PeriodicSite: Li (17.48, 19.55, 14.29) [0.8606, 0.9625, 0.7038]\n", + " PeriodicSite: Li (13.48, 15.01, 19.33) [0.6634, 0.7391, 0.9517]\n", + " PeriodicSite: Li (16.96, 13.07, 10.61) [0.8348, 0.6433, 0.5221]\n", + " PeriodicSite: Li (7.178, 4.149, 0.6525) [0.3534, 0.2042, 0.03212]\n", + " PeriodicSite: Li (4.868, 3.44, 11.99) [0.2397, 0.1693, 0.5904]\n", + " PeriodicSite: Li (8.153, 10.59, 1.313) [0.4014, 0.5213, 0.06462]\n", + " PeriodicSite: Li (8.457, 11.67, 10.6) [0.4163, 0.5746, 0.5217]\n", + " PeriodicSite: Li (15.33, 2.029, 3.131) [0.7548, 0.09989, 0.1542]\n", + " PeriodicSite: Li (15.82, 3.009, 10.94) [0.7791, 0.1481, 0.5385]\n", + " PeriodicSite: Li (2.011, 10.84, 19.9) [0.09902, 0.5339, 0.9796]\n", + " PeriodicSite: Li (18.92, 13.47, 14.82) [0.9316, 0.6631, 0.7296]\n", + " PeriodicSite: Li (8.162, 0.7854, 0.4281) [0.4018, 0.03866, 0.02108]\n", + " PeriodicSite: Li (6.753, 3.508, 10.0) [0.3325, 0.1727, 0.4924]\n", + " PeriodicSite: Li (8.031, 13.74, 4.715) [0.3954, 0.6766, 0.2321]\n", + " PeriodicSite: Li (4.864, 16.1, 12.62) [0.2395, 0.7924, 0.6213]\n", + " PeriodicSite: Li (16.87, 2.979, 0.3691) [0.8304, 0.1467, 0.01817]\n", + " PeriodicSite: Li (2.092, 6.259, 14.84) [0.103, 0.3081, 0.7307]\n", + " PeriodicSite: Li (5.022, 13.82, 8.503) [0.2472, 0.6802, 0.4186]\n", + " PeriodicSite: Li (13.4, 13.41, 10.38) [0.6596, 0.6602, 0.5109]\n", + " PeriodicSite: Li (13.68, 10.96, 6.806) [0.6737, 0.5398, 0.3351]\n", + " PeriodicSite: Li (6.082, 8.257, 15.63) [0.2994, 0.4065, 0.7696]\n", + " PeriodicSite: Li (7.18, 15.93, 10.05) [0.3535, 0.7842, 0.4949]\n", + " PeriodicSite: Li (4.864, 17.39, 0.6682) [0.2394, 0.856, 0.0329]\n", + " PeriodicSite: Li (17.14, 10.16, 7.422) [0.8438, 0.5001, 0.3654]\n", + " PeriodicSite: Li (1.772, 4.648, 17.74) [0.08724, 0.2288, 0.8732]\n", + " PeriodicSite: Li (17.32, 19.65, 5.874) [0.8529, 0.9674, 0.2892]\n", + " PeriodicSite: Li (19.77, 18.97, 18.53) [0.9734, 0.9337, 0.9124]\n", + " PeriodicSite: Li (6.199, 11.47, 6.627) [0.3052, 0.5649, 0.3263]\n", + " PeriodicSite: Li (7.699, 5.673, 18.35) [0.379, 0.2793, 0.9034]\n", + " PeriodicSite: Li (7.678, 20.27, 8.104) [0.378, 0.9979, 0.399]\n", + " PeriodicSite: Li (8.285, 15.94, 16.09) [0.4079, 0.7845, 0.7922]\n", + " PeriodicSite: Li (18.31, 8.35, 9.471) [0.9015, 0.4111, 0.4663]\n", + " PeriodicSite: Li (17.11, 6.446, 19.99) [0.8423, 0.3173, 0.9843]\n", + " PeriodicSite: Li (18.32, 19.98, 8.319) [0.9019, 0.9837, 0.4096]\n", + " PeriodicSite: Li (18.83, 16.75, 16.33) [0.9271, 0.8246, 0.8038]\n", + " PeriodicSite: Li (6.557, 6.822, 9.534) [0.3228, 0.3359, 0.4694]\n", + " PeriodicSite: Li (4.425, 4.476, 17.98) [0.2179, 0.2204, 0.8854]\n", + " PeriodicSite: Li (9.396, 18.16, 8.922) [0.4626, 0.8938, 0.4392]\n", + " PeriodicSite: Li (15.23, 12.18, 17.02) [0.7498, 0.5996, 0.8381]\n", + " PeriodicSite: Li (19.39, 7.23, 6.013) [0.9545, 0.3559, 0.296]\n", + " PeriodicSite: Li (18.89, 5.416, 17.01) [0.9299, 0.2666, 0.8373]\n", + " PeriodicSite: Li (16.49, 17.54, 10.19) [0.8121, 0.8635, 0.5018]\n", + " PeriodicSite: Li (17.22, 15.35, 18.95) [0.8478, 0.7556, 0.9328]\n", + " PeriodicSite: Li (9.472, 8.088, 8.539) [0.4663, 0.3982, 0.4204]\n", + " PeriodicSite: Li (6.062, 6.329, 1.648) [0.2985, 0.3116, 0.08116]\n", + " PeriodicSite: Li (5.271, 16.79, 8.424) [0.2595, 0.8266, 0.4147]\n", + " PeriodicSite: Li (7.006, 15.46, 1.706) [0.3449, 0.7613, 0.08397]\n", + " PeriodicSite: Li (15.18, 7.03, 8.356) [0.7474, 0.3461, 0.4114]\n", + " PeriodicSite: Li (20.03, 8.476, 17.94) [0.986, 0.4173, 0.8831]\n", + " PeriodicSite: Li (15.54, 17.84, 6.612) [0.765, 0.8781, 0.3255]\n", + " PeriodicSite: Li (14.78, 18.14, 15.12) [0.7277, 0.8931, 0.7442]\n", + " PeriodicSite: Li (7.913, 4.818, 13.03) [0.3896, 0.2372, 0.6416]\n", + " PeriodicSite: Li (5.231, 7.098, 18.57) [0.2575, 0.3494, 0.9144]\n", + " PeriodicSite: Li (7.934, 17.14, 5.246) [0.3906, 0.8437, 0.2583]\n", + " PeriodicSite: Li (10.7, 19.23, 1.957) [0.5269, 0.9465, 0.09635]\n", + " PeriodicSite: Li (15.96, 7.955, 5.368) [0.7856, 0.3916, 0.2643]\n", + " PeriodicSite: Li (14.03, 6.779, 19.64) [0.6908, 0.3337, 0.9669]\n", + " PeriodicSite: Li (19.48, 17.75, 9.521) [0.959, 0.874, 0.4687]\n", + " PeriodicSite: Li (17.63, 0.3426, 2.47) [0.8681, 0.01686, 0.1216]\n", + " PeriodicSite: Li (4.102, 9.887, 2.852) [0.2019, 0.4867, 0.1404]\n", + " PeriodicSite: Li (9.8, 8.519, 18.32) [0.4825, 0.4194, 0.9018]\n", + " PeriodicSite: Li (9.111, 15.78, 7.491) [0.4486, 0.7768, 0.3688]\n", + " PeriodicSite: Li (7.829, 20.26, 16.4) [0.3854, 0.9973, 0.8075]\n", + " PeriodicSite: Li (17.6, 5.262, 7.506) [0.8664, 0.2591, 0.3696]\n", + " PeriodicSite: Li (19.08, 11.24, 18.94) [0.9392, 0.5533, 0.9323]\n", + " PeriodicSite: Li (3.468, 15.24, 1.963) [0.1707, 0.7502, 0.09666]\n", + " PeriodicSite: Li (16.24, 2.356, 14.96) [0.7995, 0.116, 0.7365]\n", + " PeriodicSite: Cl (7.745, 12.33, 12.69) [0.3813, 0.6069, 0.6249]\n", + " PeriodicSite: Cl (2.767, 12.47, 17.75) [0.1362, 0.614, 0.8739]\n", + " PeriodicSite: Cl (12.76, 17.51, 12.9) [0.6284, 0.8621, 0.6353]\n", + " PeriodicSite: Cl (18.13, 7.72, 17.43) [0.8926, 0.3801, 0.8582]\n", + " PeriodicSite: Cl (7.159, 2.332, 2.416) [0.3525, 0.1148, 0.119]\n", + " PeriodicSite: Cl (7.458, 7.316, 7.357) [0.3672, 0.3602, 0.3622]\n", + " PeriodicSite: Cl (12.5, 13.18, 7.809) [0.6156, 0.6491, 0.3845]\n", + " PeriodicSite: Cl (2.094, 7.641, 2.519) [0.1031, 0.3762, 0.124]\n", + " PeriodicSite: Cl (2.141, 7.487, 12.73) [0.1054, 0.3686, 0.6265]\n", + " PeriodicSite: Cl (12.9, 12.49, 18.05) [0.6352, 0.6149, 0.8888]\n", + " PeriodicSite: Cl (17.77, 17.42, 18.51) [0.8747, 0.8576, 0.9113]\n", + " PeriodicSite: Cl (2.313, 2.245, 7.379) [0.1139, 0.1105, 0.3633]\n", + " PeriodicSite: Cl (12.64, 2.785, 17.98) [0.6223, 0.1371, 0.885]\n", + " PeriodicSite: Cl (12.52, 7.275, 2.976) [0.6163, 0.3582, 0.1465]\n", + " PeriodicSite: Cl (17.4, 2.504, 12.98) [0.8567, 0.1233, 0.639]\n", + " PeriodicSite: Cl (7.444, 17.65, 17.52) [0.3665, 0.869, 0.8625]\n", + " PeriodicSite: Cl (0.2551, 19.68, 0.3476) [0.01255, 0.9691, 0.01711]\n", + " PeriodicSite: Cl (19.93, 19.78, 9.807) [0.9814, 0.9739, 0.4828]\n", + " PeriodicSite: Cl (20.25, 10.16, 0.1962) [0.9969, 0.5001, 0.009667]\n", + " PeriodicSite: Cl (19.99, 10.41, 10.31) [0.9841, 0.5126, 0.5078]\n", + " PeriodicSite: Cl (9.975, 20.11, 19.69) [0.4911, 0.9899, 0.9692]\n", + " PeriodicSite: Cl (9.951, 0.2955, 9.527) [0.4899, 0.01454, 0.469]\n", + " PeriodicSite: Cl (10.24, 10.23, 20.13) [0.5041, 0.5038, 0.9913]\n", + " PeriodicSite: Cl (10.04, 9.994, 9.742) [0.4942, 0.492, 0.4796]\n", + " PeriodicSite: Cl (20.24, 5.401, 5.098) [0.9967, 0.2659, 0.251]\n", + " PeriodicSite: Cl (0.4615, 4.886, 15.72) [0.02272, 0.2406, 0.7739]\n", + " PeriodicSite: Cl (0.2087, 15.17, 5.115) [0.01027, 0.7471, 0.2518]\n", + " PeriodicSite: Cl (0.1911, 15.27, 15.19) [0.009405, 0.7516, 0.7476]\n", + " PeriodicSite: Cl (10.54, 4.958, 5.006) [0.5191, 0.2441, 0.2464]\n", + " PeriodicSite: Cl (9.896, 5.038, 14.64) [0.4872, 0.248, 0.7206]\n", + " PeriodicSite: Cl (9.872, 15.28, 5.198) [0.486, 0.7522, 0.2559]\n", + " PeriodicSite: Cl (10.14, 14.85, 15.22) [0.4993, 0.7311, 0.7495]\n", + " PeriodicSite: S (4.688, 0.05689, 5.014) [0.2308, 0.002799, 0.2468]\n", + " PeriodicSite: S (5.434, 0.09363, 15.11) [0.2675, 0.004608, 0.7439]\n", + " PeriodicSite: S (4.847, 10.49, 5.076) [0.2386, 0.5162, 0.2499]\n", + " PeriodicSite: S (5.379, 10.4, 15.46) [0.2648, 0.512, 0.7612]\n", + " PeriodicSite: S (15.05, 20.29, 5.054) [0.7409, 0.9987, 0.2488]\n", + " PeriodicSite: S (15.63, 20.29, 15.57) [0.7696, 0.9989, 0.7667]\n", + " PeriodicSite: S (15.31, 10.41, 4.949) [0.7539, 0.5123, 0.2436]\n", + " PeriodicSite: S (15.25, 9.908, 15.3) [0.7508, 0.4878, 0.7532]\n", + " PeriodicSite: S (5.208, 5.311, 20.01) [0.2564, 0.2615, 0.9852]\n", + " PeriodicSite: S (4.929, 4.918, 10.31) [0.2427, 0.2421, 0.5076]\n", + " PeriodicSite: S (5.371, 15.26, 0.3715) [0.2644, 0.7513, 0.01829]\n", + " PeriodicSite: S (4.914, 15.3, 10.21) [0.2419, 0.7531, 0.5028]\n", + " PeriodicSite: S (15.27, 4.915, 0.03541) [0.7517, 0.242, 0.001748]\n", + " PeriodicSite: S (14.72, 5.265, 10.11) [0.7247, 0.2592, 0.4976]\n", + " PeriodicSite: S (15.43, 15.2, 0.2035) [0.7598, 0.7482, 0.01002]\n", + " PeriodicSite: S (15.12, 15.38, 10.16) [0.7442, 0.7571, 0.5004]\n", + " PeriodicSite: S (8.732, 3.857, 8.612) [0.4299, 0.1899, 0.424]\n", + " PeriodicSite: S (9.04, 4.009, 19.25) [0.4451, 0.1973, 0.9476]\n", + " PeriodicSite: S (9.055, 13.94, 9.388) [0.4458, 0.6863, 0.4622]\n", + " PeriodicSite: S (8.865, 13.96, 18.91) [0.4364, 0.6871, 0.9312]\n", + " PeriodicSite: S (18.63, 3.716, 9.187) [0.9172, 0.1829, 0.4523]\n", + " PeriodicSite: S (19.04, 4.024, 19.15) [0.9373, 0.1981, 0.943]\n", + " PeriodicSite: S (18.9, 13.73, 9.264) [0.9306, 0.6759, 0.4561]\n", + " PeriodicSite: S (19.01, 13.56, 19.54) [0.936, 0.6678, 0.962]\n", + " PeriodicSite: S (3.433, 1.127, 0.9007) [0.169, 0.0555, 0.04434]\n", + " PeriodicSite: S (3.617, 1.027, 11.15) [0.1781, 0.05057, 0.5489]\n", + " PeriodicSite: S (4.054, 11.66, 1.308) [0.1996, 0.5742, 0.06438]\n", + " PeriodicSite: S (4.1, 11.46, 11.6) [0.2018, 0.5644, 0.5709]\n", + " PeriodicSite: S (13.94, 1.276, 1.428) [0.6865, 0.06279, 0.07028]\n", + " PeriodicSite: S (13.88, 1.365, 11.38) [0.6836, 0.06717, 0.5602]\n", + " PeriodicSite: S (14.23, 11.62, 1.253) [0.7006, 0.5721, 0.06171]\n", + " PeriodicSite: S (13.95, 11.06, 11.61) [0.6867, 0.5443, 0.5717]\n", + " PeriodicSite: S (5.945, 1.319, 8.78) [0.2927, 0.06493, 0.4323]\n", + " PeriodicSite: S (6.337, 1.317, 19.41) [0.312, 0.06482, 0.9557]\n", + " PeriodicSite: S (6.369, 11.48, 9.202) [0.3135, 0.565, 0.453]\n", + " PeriodicSite: S (6.438, 11.37, 19.31) [0.317, 0.5598, 0.9505]\n", + " PeriodicSite: S (16.37, 1.361, 9.128) [0.8062, 0.06699, 0.4494]\n", + " PeriodicSite: S (16.14, 1.071, 19.31) [0.7944, 0.05274, 0.9505]\n", + " PeriodicSite: S (15.95, 11.68, 8.799) [0.7852, 0.5749, 0.4332]\n", + " PeriodicSite: S (16.65, 10.75, 19.02) [0.8196, 0.5295, 0.9364]\n", + " PeriodicSite: S (1.066, 4.361, 1.264) [0.05245, 0.2147, 0.06224]\n", + " PeriodicSite: S (0.7932, 3.922, 11.37) [0.03905, 0.1931, 0.5597]\n", + " PeriodicSite: S (1.267, 14.12, 1.502) [0.06238, 0.6953, 0.07393]\n", + " PeriodicSite: S (1.08, 13.58, 11.54) [0.05316, 0.6684, 0.5683]\n", + " PeriodicSite: S (11.35, 4.058, 1.351) [0.559, 0.1998, 0.06652]\n", + " PeriodicSite: S (10.94, 3.777, 11.11) [0.5384, 0.186, 0.5467]\n", + " PeriodicSite: S (11.35, 14.08, 0.9626) [0.5588, 0.6933, 0.0474]\n", + " PeriodicSite: S (11.54, 14.29, 11.59) [0.5679, 0.7033, 0.5704]\n", + " PeriodicSite: S (2.684, 2.559, 17.94) [0.1321, 0.126, 0.8832]\n", + " PeriodicSite: S (2.692, 12.71, 7.956) [0.1325, 0.6258, 0.3917]\n", + " PeriodicSite: S (12.82, 2.46, 7.419) [0.6313, 0.1211, 0.3653]\n", + " PeriodicSite: S (9.128, 9.342, 3.675) [0.4494, 0.4599, 0.1809]\n", + " PeriodicSite: S (8.897, 8.633, 14.11) [0.438, 0.425, 0.6946]\n", + " PeriodicSite: S (8.517, 19.44, 3.377) [0.4193, 0.9568, 0.1663]\n", + " PeriodicSite: S (9.088, 19.27, 14.32) [0.4474, 0.9485, 0.7052]\n", + " PeriodicSite: S (19.21, 8.986, 4.025) [0.9459, 0.4424, 0.1982]\n", + " PeriodicSite: S (19.06, 9.232, 13.97) [0.9382, 0.4545, 0.6879]\n", + " PeriodicSite: S (18.87, 18.93, 3.765) [0.929, 0.9318, 0.1854]\n", + " PeriodicSite: S (19.22, 18.68, 15.0) [0.9464, 0.9195, 0.7387]\n", + " PeriodicSite: S (3.422, 6.003, 6.439) [0.1685, 0.2956, 0.317]\n", + " PeriodicSite: S (3.873, 6.329, 16.51) [0.1906, 0.3116, 0.813]\n", + " PeriodicSite: S (4.002, 16.42, 6.305) [0.197, 0.8082, 0.3104]\n", + " PeriodicSite: S (4.033, 16.25, 16.5) [0.1986, 0.7999, 0.8122]\n", + " PeriodicSite: S (13.92, 6.33, 5.966) [0.6855, 0.3116, 0.2937]\n", + " PeriodicSite: S (14.51, 6.559, 16.53) [0.7144, 0.3229, 0.8137]\n", + " PeriodicSite: S (13.58, 16.77, 6.355) [0.6684, 0.8256, 0.3129]\n", + " PeriodicSite: S (14.07, 16.07, 16.73) [0.6926, 0.791, 0.8235]\n", + " PeriodicSite: S (5.099, 6.985, 3.862) [0.251, 0.3439, 0.1901]\n", + " PeriodicSite: S (5.894, 6.427, 13.9) [0.2902, 0.3164, 0.6843]\n", + " PeriodicSite: S (6.324, 16.13, 3.899) [0.3113, 0.7941, 0.1919]\n", + " PeriodicSite: S (6.53, 16.52, 14.21) [0.3215, 0.8131, 0.6995]\n", + " PeriodicSite: S (16.46, 6.358, 3.807) [0.8105, 0.313, 0.1874]\n", + " PeriodicSite: S (16.35, 6.105, 13.62) [0.8052, 0.3006, 0.6704]\n", + " PeriodicSite: S (16.22, 16.71, 4.518) [0.7987, 0.8225, 0.2224]\n", + " PeriodicSite: S (16.49, 16.56, 14.39) [0.8118, 0.8154, 0.7084]\n", + " PeriodicSite: S (1.329, 9.24, 6.243) [0.06545, 0.4549, 0.3074]\n", + " PeriodicSite: S (1.443, 9.028, 16.49) [0.07106, 0.4444, 0.8118]\n", + " PeriodicSite: S (1.127, 19.39, 6.035) [0.05549, 0.9545, 0.2971]\n", + " PeriodicSite: S (1.442, 18.89, 17.15) [0.07097, 0.9298, 0.8443]\n", + " PeriodicSite: S (11.18, 9.354, 6.481) [0.5506, 0.4605, 0.3191]\n", + " PeriodicSite: S (11.46, 9.034, 16.34) [0.5642, 0.4448, 0.8046]\n", + " PeriodicSite: S (10.74, 18.98, 6.015) [0.5288, 0.9345, 0.2961]\n", + " PeriodicSite: S (11.72, 19.43, 16.25) [0.5771, 0.9568, 0.8002]\n", + " PeriodicSite: S (2.919, 17.64, 2.251) [0.1437, 0.8687, 0.1108]\n", + " PeriodicSite: S (2.578, 17.46, 12.79) [0.1269, 0.8598, 0.6299]\n", + " PeriodicSite: S (12.57, 7.444, 12.43) [0.6191, 0.3665, 0.6121]\n", + " PeriodicSite: S (12.75, 17.51, 2.514) [0.6276, 0.8621, 0.1238]\n", + " PeriodicSite: S (3.44, 3.95, 3.679) [0.1694, 0.1945, 0.1811]\n", + " PeriodicSite: S (3.62, 4.116, 14.08) [0.1782, 0.2026, 0.6934]\n", + " PeriodicSite: S (3.919, 13.98, 4.083) [0.1929, 0.688, 0.201]\n", + " PeriodicSite: S (4.323, 14.0, 14.01) [0.2128, 0.6891, 0.6899]\n", + " PeriodicSite: S (14.07, 3.953, 3.732) [0.6926, 0.1946, 0.1837]\n", + " PeriodicSite: S (14.09, 3.957, 14.31) [0.6936, 0.1948, 0.7047]\n", + " PeriodicSite: S (13.84, 14.23, 3.964) [0.6814, 0.7007, 0.1952]\n", + " PeriodicSite: S (14.37, 14.11, 14.24) [0.7074, 0.6944, 0.7011]\n", + " PeriodicSite: S (8.705, 1.355, 5.779) [0.4285, 0.06668, 0.2845]\n", + " PeriodicSite: S (9.552, 1.571, 16.17) [0.4703, 0.07732, 0.7961]\n", + " PeriodicSite: S (8.676, 11.61, 6.016) [0.4271, 0.5716, 0.2962]\n", + " PeriodicSite: S (9.042, 11.39, 16.0) [0.4451, 0.561, 0.7879]\n", + " PeriodicSite: S (18.84, 1.21, 5.815) [0.9275, 0.05956, 0.2863]\n", + " PeriodicSite: S (19.32, 0.72, 17.4) [0.9512, 0.03544, 0.8566]\n", + " PeriodicSite: S (19.24, 11.56, 6.099) [0.9473, 0.5691, 0.3003]\n", + " PeriodicSite: S (19.43, 11.48, 16.27) [0.9564, 0.5651, 0.8009]\n", + " PeriodicSite: S (1.031, 1.007, 3.485) [0.05077, 0.04958, 0.1716]\n", + " PeriodicSite: S (1.037, 1.02, 14.58) [0.05104, 0.05023, 0.7178]\n", + " PeriodicSite: S (1.217, 11.3, 3.587) [0.05989, 0.5561, 0.1766]\n", + " PeriodicSite: S (1.476, 11.04, 13.84) [0.07268, 0.5436, 0.6812]\n", + " PeriodicSite: S (11.33, 1.046, 3.515) [0.558, 0.05151, 0.1731]\n", + " PeriodicSite: S (11.62, 1.121, 13.62) [0.5719, 0.05516, 0.6703]\n", + " PeriodicSite: S (11.51, 11.81, 4.214) [0.5668, 0.5814, 0.2075]\n", + " PeriodicSite: S (11.39, 11.21, 13.81) [0.5606, 0.552, 0.6799]\n", + " PeriodicSite: S (6.015, 4.117, 5.679) [0.2961, 0.2027, 0.2796]\n", + " PeriodicSite: S (6.482, 4.205, 16.25) [0.3191, 0.207, 0.8001]\n", + " PeriodicSite: S (6.331, 14.05, 6.431) [0.3117, 0.6915, 0.3166]\n", + " PeriodicSite: S (6.466, 14.06, 16.55) [0.3183, 0.6921, 0.8147]\n", + " PeriodicSite: S (16.25, 3.903, 6.088) [0.7998, 0.1922, 0.2997]\n", + " PeriodicSite: S (16.8, 4.259, 16.39) [0.8272, 0.2097, 0.807]\n", + " PeriodicSite: S (15.83, 14.25, 6.726) [0.7795, 0.7014, 0.3311]\n", + " PeriodicSite: S (16.63, 14.04, 16.81) [0.8187, 0.6912, 0.8278]\n", + " PeriodicSite: S (7.377, 2.547, 12.56) [0.3632, 0.1254, 0.6184]\n", + " PeriodicSite: S (7.772, 12.82, 2.434) [0.3826, 0.6314, 0.1198]\n", + " PeriodicSite: S (17.66, 2.636, 2.449) [0.8694, 0.1298, 0.1206]\n", + " PeriodicSite: S (17.65, 12.89, 2.724) [0.8691, 0.6344, 0.1341]\n", + " PeriodicSite: S (17.79, 12.64, 12.89) [0.876, 0.6221, 0.6346]\n", + " PeriodicSite: S (3.892, 8.98, 9.295) [0.1916, 0.4421, 0.4576]\n", + " PeriodicSite: S (3.828, 9.148, 19.54) [0.1884, 0.4504, 0.9621]\n", + " PeriodicSite: S (3.693, 18.79, 8.947) [0.1818, 0.9252, 0.4405]\n", + " PeriodicSite: S (4.299, 19.02, 18.94) [0.2117, 0.9366, 0.9325]\n", + " PeriodicSite: S (13.96, 9.088, 8.773) [0.6873, 0.4474, 0.4319]\n", + " PeriodicSite: S (13.9, 9.169, 19.15) [0.6845, 0.4514, 0.9425]\n", + " PeriodicSite: S (14.24, 19.24, 8.88) [0.7013, 0.9474, 0.4372]\n", + " PeriodicSite: S (14.17, 18.98, 19.21) [0.6975, 0.9344, 0.9459]\n", + " PeriodicSite: S (8.906, 6.384, 1.29) [0.4384, 0.3143, 0.06351]\n", + " PeriodicSite: S (8.789, 6.237, 11.15) [0.4327, 0.307, 0.549]\n", + " PeriodicSite: S (9.291, 16.54, 1.03) [0.4574, 0.8141, 0.05071]\n", + " PeriodicSite: S (9.211, 16.73, 11.19) [0.4535, 0.8238, 0.5511]\n", + " PeriodicSite: S (18.94, 6.644, 1.149) [0.9323, 0.3271, 0.05655]\n", + " PeriodicSite: S (18.93, 6.435, 11.27) [0.9321, 0.3168, 0.5549]\n", + " PeriodicSite: S (19.23, 16.4, 1.158) [0.9465, 0.8073, 0.05701]\n", + " PeriodicSite: S (19.23, 16.09, 11.72) [0.9466, 0.792, 0.5769]\n", + " PeriodicSite: S (0.6551, 6.028, 8.658) [0.03225, 0.2968, 0.4263]\n", + " PeriodicSite: S (0.989, 6.559, 19.12) [0.04869, 0.3229, 0.9411]\n", + " PeriodicSite: S (1.126, 15.92, 9.131) [0.05543, 0.7836, 0.4495]\n", + " PeriodicSite: S (0.8728, 16.0, 18.72) [0.04297, 0.7878, 0.9216]\n", + " PeriodicSite: S (11.2, 6.371, 8.773) [0.5514, 0.3137, 0.4319]\n", + " PeriodicSite: S (11.46, 6.422, 19.33) [0.5642, 0.3162, 0.9515]\n", + " PeriodicSite: S (11.43, 16.39, 8.903) [0.5629, 0.807, 0.4383]\n", + " PeriodicSite: S (11.43, 16.22, 19.01) [0.5629, 0.7984, 0.9358]\n", + " PeriodicSite: S (6.351, 9.044, 1.412) [0.3127, 0.4452, 0.06952]\n", + " PeriodicSite: S (6.243, 8.762, 11.25) [0.3074, 0.4314, 0.5538]\n", + " PeriodicSite: S (6.212, 19.33, 1.276) [0.3058, 0.9518, 0.06284]\n", + " PeriodicSite: S (6.302, 19.27, 11.04) [0.3103, 0.9488, 0.5436]\n", + " PeriodicSite: S (16.01, 8.616, 1.289) [0.7882, 0.4242, 0.06346]\n", + " PeriodicSite: S (16.42, 9.071, 11.22) [0.8083, 0.4466, 0.5522]\n", + " PeriodicSite: S (16.03, 19.13, 1.533) [0.7893, 0.9419, 0.07546]\n", + " PeriodicSite: S (16.01, 19.3, 11.7) [0.788, 0.9501, 0.576]\n", + " PeriodicSite: S (7.46, 7.687, 17.43) [0.3673, 0.3784, 0.8581]\n", + " PeriodicSite: S (7.551, 17.76, 7.599) [0.3717, 0.8742, 0.3741]\n", + " PeriodicSite: S (17.5, 7.686, 7.441) [0.8618, 0.3784, 0.3663]\n", + " PeriodicSite: S (17.62, 17.74, 7.771) [0.8672, 0.8736, 0.3826]\n", + " PeriodicSite: P (5.084, 0.04988, 20.24) [0.2503, 0.002455, 0.9962]\n", + " PeriodicSite: P (4.943, 20.29, 10.05) [0.2433, 0.9991, 0.4948]\n", + " PeriodicSite: P (5.243, 10.3, 0.2441) [0.2581, 0.5073, 0.01202]\n", + " PeriodicSite: P (5.091, 10.2, 10.3) [0.2506, 0.5023, 0.507]\n", + " PeriodicSite: P (14.98, 20.29, 0.1575) [0.7375, 0.9991, 0.007761]\n", + " PeriodicSite: P (15.16, 0.1463, 10.3) [0.7462, 0.007198, 0.5069]\n", + " PeriodicSite: P (15.23, 10.11, 0.1295) [0.7499, 0.4975, 0.006381]\n", + " PeriodicSite: P (15.12, 10.23, 10.08) [0.7443, 0.5036, 0.4961]\n", + " PeriodicSite: P (4.521, 5.297, 4.886) [0.2226, 0.2608, 0.2406]\n", + " PeriodicSite: P (5.116, 5.098, 15.2) [0.2519, 0.251, 0.7484]\n", + " PeriodicSite: P (5.109, 15.16, 5.183) [0.2515, 0.7463, 0.2552]\n", + " PeriodicSite: P (5.381, 15.3, 15.36) [0.2649, 0.7531, 0.7563]\n", + " PeriodicSite: P (15.24, 5.123, 4.912) [0.75, 0.2522, 0.2418]\n", + " PeriodicSite: P (15.48, 5.215, 15.16) [0.7622, 0.2567, 0.7465]\n", + " PeriodicSite: P (14.84, 15.41, 5.305) [0.7304, 0.7586, 0.2612]\n", + " PeriodicSite: P (15.4, 15.16, 15.61) [0.7579, 0.7461, 0.7683]\n", + " PeriodicSite: P (20.16, 20.27, 4.694) [0.9924, 0.9979, 0.2311]\n", + " PeriodicSite: P (0.1771, 20.12, 16.01) [0.008716, 0.9903, 0.7883]\n", + " PeriodicSite: P (0.0335, 10.27, 5.003) [0.001646, 0.5055, 0.2463]\n", + " PeriodicSite: P (0.2715, 10.13, 15.2) [0.01336, 0.4989, 0.7482]\n", + " PeriodicSite: P (9.883, 20.24, 4.664) [0.4865, 0.9964, 0.2296]\n", + " PeriodicSite: P (10.49, 0.1475, 14.95) [0.5163, 0.007258, 0.7361]\n", + " PeriodicSite: P (10.06, 10.52, 5.107) [0.4953, 0.5181, 0.2514]\n", + " PeriodicSite: P (10.14, 9.966, 15.05) [0.499, 0.4906, 0.7409]\n", + " PeriodicSite: P (20.15, 5.373, 20.29) [0.9922, 0.2645, 0.999]\n", + " PeriodicSite: P (19.96, 4.979, 10.01) [0.9824, 0.2451, 0.4928]\n", + " PeriodicSite: P (20.14, 15.03, 20.26) [0.9914, 0.7398, 0.9976]\n", + " PeriodicSite: P (20.19, 14.83, 10.4) [0.9941, 0.73, 0.5118]\n", + " PeriodicSite: P (10.2, 5.21, 0.1623) [0.5021, 0.2565, 0.007995]\n", + " PeriodicSite: P (9.949, 5.146, 9.969) [0.4898, 0.2533, 0.4908]\n", + " PeriodicSite: P (10.15, 15.14, 20.07) [0.4995, 0.7454, 0.9882]\n", + " PeriodicSite: P (10.31, 15.3, 10.24) [0.5075, 0.7534, 0.504],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.9311, 5.579, 3.189) [0.04584, 0.2746, 0.157]\n", + " PeriodicSite: Li (1.99, 2.967, 15.8) [0.09799, 0.1461, 0.7777]\n", + " PeriodicSite: Li (0.1771, 12.07, 8.026) [0.008714, 0.5942, 0.3951]\n", + " PeriodicSite: Li (0.6861, 13.57, 16.99) [0.03377, 0.6682, 0.8363]\n", + " PeriodicSite: Li (14.59, 1.312, 7.065) [0.7183, 0.06458, 0.3478]\n", + " PeriodicSite: Li (12.11, 3.436, 15.3) [0.5963, 0.1692, 0.753]\n", + " PeriodicSite: Li (17.07, 12.75, 5.144) [0.8404, 0.6277, 0.2532]\n", + " PeriodicSite: Li (17.38, 8.431, 15.01) [0.8557, 0.4151, 0.7391]\n", + " PeriodicSite: Li (5.04, 4.861, 7.858) [0.2481, 0.2393, 0.3868]\n", + " PeriodicSite: Li (2.085, 0.1788, 18.99) [0.1027, 0.008804, 0.9347]\n", + " PeriodicSite: Li (2.959, 7.723, 4.871) [0.1456, 0.3802, 0.2398]\n", + " PeriodicSite: Li (7.088, 9.948, 17.16) [0.349, 0.4897, 0.845]\n", + " PeriodicSite: Li (11.68, 4.633, 6.849) [0.5751, 0.2281, 0.3372]\n", + " PeriodicSite: Li (13.06, 3.078, 0.1959) [0.6432, 0.1515, 0.009649]\n", + " PeriodicSite: Li (11.73, 9.606, 11.31) [0.5776, 0.4729, 0.557]\n", + " PeriodicSite: Li (10.07, 18.3, 18.26) [0.4959, 0.9009, 0.899]\n", + " PeriodicSite: Li (4.991, 1.763, 6.566) [0.2457, 0.08677, 0.3233]\n", + " PeriodicSite: Li (2.595, 20.04, 14.4) [0.1278, 0.9867, 0.7088]\n", + " PeriodicSite: Li (3.249, 10.08, 7.264) [0.1599, 0.496, 0.3576]\n", + " PeriodicSite: Li (6.8, 9.919, 13.49) [0.3348, 0.4883, 0.6643]\n", + " PeriodicSite: Li (12.1, 0.493, 8.265) [0.5957, 0.02427, 0.4069]\n", + " PeriodicSite: Li (10.51, 1.74, 18.39) [0.5174, 0.08564, 0.9056]\n", + " PeriodicSite: Li (13.59, 15.47, 8.667) [0.6692, 0.7618, 0.4267]\n", + " PeriodicSite: Li (12.59, 11.01, 19.83) [0.6197, 0.5421, 0.9762]\n", + " PeriodicSite: Li (1.412, 4.062, 6.951) [0.06949, 0.2, 0.3422]\n", + " PeriodicSite: Li (0.06597, 2.473, 18.61) [0.003252, 0.1217, 0.9162]\n", + " PeriodicSite: Li (1.989, 14.84, 7.106) [0.09794, 0.7304, 0.3498]\n", + " PeriodicSite: Li (4.665, 14.79, 18.34) [0.2296, 0.7282, 0.9031]\n", + " PeriodicSite: Li (12.75, 1.993, 4.977) [0.6275, 0.09813, 0.245]\n", + " PeriodicSite: Li (13.75, 0.7146, 17.59) [0.677, 0.03517, 0.8662]\n", + " PeriodicSite: Li (10.12, 11.88, 8.038) [0.4984, 0.585, 0.3957]\n", + " PeriodicSite: Li (16.01, 17.5, 19.8) [0.7882, 0.8613, 0.9747]\n", + " PeriodicSite: Li (6.797, 0.4712, 4.091) [0.3346, 0.0232, 0.2014]\n", + " PeriodicSite: Li (0.9728, 17.82, 0.4058) [0.04788, 0.8774, 0.01998]\n", + " PeriodicSite: Li (2.917, 13.77, 9.99) [0.1436, 0.6777, 0.4918]\n", + " PeriodicSite: Li (1.565, 17.15, 15.37) [0.07702, 0.8445, 0.7565]\n", + " PeriodicSite: Li (14.59, 4.16, 7.592) [0.7181, 0.2048, 0.3738]\n", + " PeriodicSite: Li (14.82, 4.181, 18.43) [0.7294, 0.2058, 0.9073]\n", + " PeriodicSite: Li (17.73, 15.46, 8.26) [0.8728, 0.761, 0.4067]\n", + " PeriodicSite: Li (10.4, 12.54, 17.6) [0.5119, 0.6175, 0.8662]\n", + " PeriodicSite: Li (4.7, 1.935, 3.491) [0.2314, 0.09525, 0.1719]\n", + " PeriodicSite: Li (4.14, 0.7389, 17.19) [0.2038, 0.03638, 0.8462]\n", + " PeriodicSite: Li (2.716, 12.04, 5.516) [0.1337, 0.5925, 0.2715]\n", + " PeriodicSite: Li (19.76, 13.35, 4.406) [0.9729, 0.6571, 0.2169]\n", + " PeriodicSite: Li (9.925, 2.32, 7.46) [0.4886, 0.1142, 0.3673]\n", + " PeriodicSite: Li (16.51, 19.62, 17.1) [0.8128, 0.9661, 0.842]\n", + " PeriodicSite: Li (15.25, 12.71, 3.208) [0.7505, 0.6256, 0.158]\n", + " PeriodicSite: Li (14.98, 8.236, 16.85) [0.7377, 0.4055, 0.8294]\n", + " PeriodicSite: Li (3.385, 12.58, 15.42) [0.1666, 0.6191, 0.7592]\n", + " PeriodicSite: Li (2.157, 10.88, 9.565) [0.1062, 0.5357, 0.4709]\n", + " PeriodicSite: Li (0.8395, 16.09, 2.769) [0.04132, 0.7922, 0.1363]\n", + " PeriodicSite: Li (1.713, 0.5372, 8.799) [0.08434, 0.02645, 0.4332]\n", + " PeriodicSite: Li (11.85, 4.988, 3.756) [0.5835, 0.2455, 0.1849]\n", + " PeriodicSite: Li (12.54, 7.435, 14.79) [0.6175, 0.366, 0.7283]\n", + " PeriodicSite: Li (11.93, 13.58, 5.83) [0.5874, 0.6684, 0.287]\n", + " PeriodicSite: Li (13.6, 20.07, 13.62) [0.6697, 0.9881, 0.6703]\n", + " PeriodicSite: Li (2.908, 5.81, 0.8309) [0.1432, 0.286, 0.04091]\n", + " PeriodicSite: Li (2.805, 4.84, 10.18) [0.1381, 0.2383, 0.5011]\n", + " PeriodicSite: Li (7.805, 16.13, 19.18) [0.3843, 0.7941, 0.9443]\n", + " PeriodicSite: Li (4.911, 18.14, 16.54) [0.2418, 0.8928, 0.8143]\n", + " PeriodicSite: Li (14.01, 5.742, 2.624) [0.6899, 0.2827, 0.1292]\n", + " PeriodicSite: Li (10.59, 6.831, 12.95) [0.5213, 0.3363, 0.6377]\n", + " PeriodicSite: Li (12.1, 17.09, 5.015) [0.5956, 0.8415, 0.2469]\n", + " PeriodicSite: Li (10.9, 16.96, 13.47) [0.5367, 0.835, 0.6633]\n", + " PeriodicSite: Li (3.834, 10.16, 17.59) [0.1888, 0.5002, 0.8659]\n", + " PeriodicSite: Li (4.583, 7.046, 12.0) [0.2256, 0.3469, 0.591]\n", + " PeriodicSite: Li (4.845, 18.5, 3.01) [0.2385, 0.911, 0.1482]\n", + " PeriodicSite: Li (3.063, 16.97, 10.6) [0.1508, 0.8356, 0.5217]\n", + " PeriodicSite: Li (10.24, 8.286, 1.501) [0.5042, 0.4079, 0.07389]\n", + " PeriodicSite: Li (13.96, 5.315, 12.47) [0.6871, 0.2617, 0.6137]\n", + " PeriodicSite: Li (11.42, 15.9, 2.426) [0.5622, 0.7826, 0.1194]\n", + " PeriodicSite: Li (13.61, 15.19, 12.34) [0.6699, 0.7478, 0.6077]\n", + " PeriodicSite: Li (0.1504, 8.157, 1.808) [0.0074, 0.4016, 0.08901]\n", + " PeriodicSite: Li (16.72, 6.7, 10.34) [0.8232, 0.3298, 0.5088]\n", + " PeriodicSite: Li (2.473, 17.6, 4.704) [0.1218, 0.8664, 0.2316]\n", + " PeriodicSite: Li (0.3048, 17.84, 12.61) [0.015, 0.8784, 0.6207]\n", + " PeriodicSite: Li (10.81, 7.977, 4.705) [0.5323, 0.3927, 0.2317]\n", + " PeriodicSite: Li (12.97, 10.8, 15.31) [0.6385, 0.5319, 0.7536]\n", + " PeriodicSite: Li (14.15, 15.24, 1.989) [0.6968, 0.7504, 0.09795]\n", + " PeriodicSite: Li (12.46, 15.37, 15.67) [0.6133, 0.7566, 0.7715]\n", + " PeriodicSite: Li (5.757, 7.961, 6.385) [0.2834, 0.3919, 0.3143]\n", + " PeriodicSite: Li (19.66, 12.17, 12.01) [0.9681, 0.5991, 0.5912]\n", + " PeriodicSite: Li (19.34, 17.29, 6.012) [0.9522, 0.8512, 0.296]\n", + " PeriodicSite: Li (4.322, 19.1, 12.99) [0.2128, 0.9402, 0.6396]\n", + " PeriodicSite: Li (17.25, 10.71, 3.382) [0.8494, 0.5273, 0.1665]\n", + " PeriodicSite: Li (13.08, 6.588, 10.4) [0.6438, 0.3244, 0.5122]\n", + " PeriodicSite: Li (12.9, 17.6, 0.3021) [0.6348, 0.8666, 0.01488]\n", + " PeriodicSite: Li (13.09, 18.14, 10.91) [0.6446, 0.8932, 0.5373]\n", + " PeriodicSite: Li (3.237, 2.941, 0.1974) [0.1594, 0.1448, 0.009718]\n", + " PeriodicSite: Li (3.479, 9.914, 13.51) [0.1713, 0.4881, 0.6651]\n", + " PeriodicSite: Li (1.961, 19.87, 2.379) [0.09652, 0.9781, 0.1171]\n", + " PeriodicSite: Li (2.091, 14.86, 13.66) [0.1029, 0.7318, 0.6727]\n", + " PeriodicSite: Li (14.7, 9.564, 3.18) [0.7238, 0.4708, 0.1566]\n", + " PeriodicSite: Li (14.6, 9.117, 12.76) [0.719, 0.4488, 0.628]\n", + " PeriodicSite: Li (15.16, 18.41, 3.49) [0.7462, 0.9063, 0.1718]\n", + " PeriodicSite: Li (18.86, 4.913, 13.22) [0.9287, 0.2419, 0.6507]\n", + " PeriodicSite: Li (9.468, 2.871, 3.339) [0.4661, 0.1413, 0.1644]\n", + " PeriodicSite: Li (10.12, 1.713, 11.72) [0.498, 0.08433, 0.5772]\n", + " PeriodicSite: Li (6.831, 10.79, 3.747) [0.3363, 0.5313, 0.1845]\n", + " PeriodicSite: Li (6.329, 12.39, 15.3) [0.3116, 0.6102, 0.7534]\n", + " PeriodicSite: Li (18.38, 2.68, 4.885) [0.9049, 0.1319, 0.2405]\n", + " PeriodicSite: Li (13.24, 3.074, 9.891) [0.6519, 0.1513, 0.487]\n", + " PeriodicSite: Li (19.68, 12.14, 1.618) [0.9689, 0.5977, 0.07968]\n", + " PeriodicSite: Li (17.6, 10.94, 14.29) [0.8667, 0.5384, 0.7035]\n", + " PeriodicSite: Li (5.458, 18.83, 6.59) [0.2687, 0.9271, 0.3244]\n", + " PeriodicSite: Li (8.368, 3.207, 14.73) [0.412, 0.1579, 0.7254]\n", + " PeriodicSite: Li (7.084, 13.54, 0.08919) [0.3488, 0.6667, 0.004394]\n", + " PeriodicSite: Li (9.633, 12.84, 13.97) [0.4742, 0.6323, 0.6877]\n", + " PeriodicSite: Li (12.97, 20.06, 3.128) [0.6384, 0.9877, 0.154]\n", + " PeriodicSite: Li (19.6, 2.169, 11.34) [0.9649, 0.1068, 0.5583]\n", + " PeriodicSite: Li (17.43, 15.22, 2.402) [0.8582, 0.7495, 0.1183]\n", + " PeriodicSite: Li (16.98, 15.47, 12.38) [0.8362, 0.7615, 0.6097]\n", + " PeriodicSite: Li (7.989, 5.342, 6.519) [0.3933, 0.263, 0.3209]\n", + " PeriodicSite: Li (6.468, 0.415, 12.6) [0.3185, 0.02043, 0.6201]\n", + " PeriodicSite: Li (10.18, 12.81, 2.225) [0.5013, 0.6304, 0.1095]\n", + " PeriodicSite: Li (5.897, 13.41, 11.43) [0.2903, 0.6604, 0.5625]\n", + " PeriodicSite: Li (19.88, 2.845, 2.387) [0.9788, 0.14, 0.1175]\n", + " PeriodicSite: Li (0.6147, 8.608, 12.01) [0.03026, 0.4238, 0.5913]\n", + " PeriodicSite: Li (16.41, 13.05, 0.6688) [0.8081, 0.6425, 0.03293]\n", + " PeriodicSite: Li (15.13, 11.58, 13.27) [0.7448, 0.57, 0.6533]\n", + " PeriodicSite: Li (2.394, 0.588, 5.822) [0.1179, 0.02895, 0.2866]\n", + " PeriodicSite: Li (5.375, 2.333, 14.84) [0.2646, 0.1149, 0.7304]\n", + " PeriodicSite: Li (5.346, 13.32, 2.388) [0.2632, 0.6558, 0.1176]\n", + " PeriodicSite: Li (8.323, 7.042, 15.56) [0.4097, 0.3467, 0.7659]\n", + " PeriodicSite: Li (17.2, 5.061, 2.095) [0.8467, 0.2492, 0.1032]\n", + " PeriodicSite: Li (16.62, 19.08, 14.14) [0.818, 0.9394, 0.6961]\n", + " PeriodicSite: Li (13.95, 14.1, 19.11) [0.6867, 0.6941, 0.9407]\n", + " PeriodicSite: Li (16.8, 12.91, 10.52) [0.8269, 0.6357, 0.5179]\n", + " PeriodicSite: Li (6.649, 3.437, 0.5301) [0.3274, 0.1692, 0.0261]\n", + " PeriodicSite: Li (4.871, 3.412, 12.05) [0.2398, 0.168, 0.5933]\n", + " PeriodicSite: Li (8.071, 10.97, 0.6675) [0.3973, 0.5402, 0.03286]\n", + " PeriodicSite: Li (8.307, 11.54, 10.59) [0.4089, 0.568, 0.5212]\n", + " PeriodicSite: Li (15.32, 1.798, 3.012) [0.7543, 0.08852, 0.1483]\n", + " PeriodicSite: Li (16.22, 3.314, 10.74) [0.7985, 0.1632, 0.5289]\n", + " PeriodicSite: Li (2.222, 11.85, 20.27) [0.1094, 0.5836, 0.998]\n", + " PeriodicSite: Li (18.5, 13.98, 14.41) [0.911, 0.6885, 0.7094]\n", + " PeriodicSite: Li (8.278, 0.5535, 0.3889) [0.4075, 0.02724, 0.01915]\n", + " PeriodicSite: Li (7.042, 3.083, 10.03) [0.3467, 0.1518, 0.4939]\n", + " PeriodicSite: Li (8.16, 14.01, 4.726) [0.4017, 0.69, 0.2327]\n", + " PeriodicSite: Li (5.004, 16.16, 12.23) [0.2463, 0.7955, 0.6023]\n", + " PeriodicSite: Li (16.56, 2.94, 0.4195) [0.8153, 0.1447, 0.02066]\n", + " PeriodicSite: Li (1.933, 6.99, 15.02) [0.09517, 0.3441, 0.7394]\n", + " PeriodicSite: Li (4.764, 12.78, 8.188) [0.2345, 0.6293, 0.4031]\n", + " PeriodicSite: Li (13.79, 12.84, 9.711) [0.6789, 0.632, 0.4781]\n", + " PeriodicSite: Li (13.88, 10.58, 6.758) [0.6834, 0.521, 0.3327]\n", + " PeriodicSite: Li (5.642, 8.033, 16.05) [0.2778, 0.3955, 0.7903]\n", + " PeriodicSite: Li (7.182, 17.17, 10.01) [0.3536, 0.8451, 0.4929]\n", + " PeriodicSite: Li (4.833, 17.34, 0.4162) [0.238, 0.8536, 0.02049]\n", + " PeriodicSite: Li (16.86, 10.32, 6.993) [0.8303, 0.5079, 0.3443]\n", + " PeriodicSite: Li (2.491, 5.095, 17.79) [0.1226, 0.2508, 0.8761]\n", + " PeriodicSite: Li (17.25, 0.0382, 5.167) [0.8491, 0.001873, 0.2544]\n", + " PeriodicSite: Li (19.58, 18.81, 18.73) [0.964, 0.9259, 0.9223]\n", + " PeriodicSite: Li (6.654, 10.8, 6.853) [0.3276, 0.5316, 0.3374]\n", + " PeriodicSite: Li (7.332, 5.545, 18.53) [0.361, 0.273, 0.9121]\n", + " PeriodicSite: Li (7.877, 20.08, 7.849) [0.3878, 0.9887, 0.3864]\n", + " PeriodicSite: Li (8.289, 16.55, 15.63) [0.4081, 0.815, 0.7693]\n", + " PeriodicSite: Li (19.02, 8.298, 9.415) [0.9364, 0.4085, 0.4635]\n", + " PeriodicSite: Li (17.26, 6.612, 19.72) [0.8496, 0.3255, 0.9709]\n", + " PeriodicSite: Li (18.64, 20.02, 8.728) [0.9175, 0.9857, 0.4297]\n", + " PeriodicSite: Li (18.57, 16.82, 15.93) [0.9142, 0.8279, 0.784]\n", + " PeriodicSite: Li (6.863, 6.462, 9.614) [0.3379, 0.3182, 0.4733]\n", + " PeriodicSite: Li (4.8, 3.441, 18.33) [0.2363, 0.1694, 0.9025]\n", + " PeriodicSite: Li (9.453, 18.27, 8.906) [0.4654, 0.8992, 0.4384]\n", + " PeriodicSite: Li (15.92, 11.23, 16.97) [0.7839, 0.5527, 0.8354]\n", + " PeriodicSite: Li (19.6, 7.675, 6.327) [0.9652, 0.3778, 0.3115]\n", + " PeriodicSite: Li (18.62, 5.055, 16.7) [0.9167, 0.2488, 0.8219]\n", + " PeriodicSite: Li (16.05, 17.05, 9.538) [0.7904, 0.8396, 0.4696]\n", + " PeriodicSite: Li (16.79, 15.17, 18.6) [0.8266, 0.7469, 0.9155]\n", + " PeriodicSite: Li (9.725, 8.317, 8.324) [0.4788, 0.4095, 0.4098]\n", + " PeriodicSite: Li (6.201, 6.539, 1.743) [0.3053, 0.3219, 0.08582]\n", + " PeriodicSite: Li (4.997, 16.79, 8.249) [0.246, 0.8264, 0.4061]\n", + " PeriodicSite: Li (7.638, 15.12, 1.665) [0.376, 0.7444, 0.08196]\n", + " PeriodicSite: Li (15.05, 6.89, 8.319) [0.7411, 0.3392, 0.4095]\n", + " PeriodicSite: Li (20.17, 7.593, 17.23) [0.9928, 0.3738, 0.8482]\n", + " PeriodicSite: Li (15.34, 18.77, 6.728) [0.7551, 0.9243, 0.3312]\n", + " PeriodicSite: Li (13.76, 18.32, 16.0) [0.6775, 0.9018, 0.7875]\n", + " PeriodicSite: Li (7.253, 5.045, 12.24) [0.3571, 0.2484, 0.6028]\n", + " PeriodicSite: Li (5.442, 7.456, 19.1) [0.2679, 0.3671, 0.9401]\n", + " PeriodicSite: Li (8.498, 17.8, 5.729) [0.4183, 0.8764, 0.282]\n", + " PeriodicSite: Li (10.55, 18.47, 1.694) [0.5196, 0.9095, 0.08341]\n", + " PeriodicSite: Li (16.79, 7.99, 5.508) [0.8264, 0.3933, 0.2712]\n", + " PeriodicSite: Li (13.56, 6.871, 20.17) [0.6674, 0.3383, 0.9931]\n", + " PeriodicSite: Li (19.6, 17.65, 9.413) [0.965, 0.8687, 0.4634]\n", + " PeriodicSite: Li (18.47, 0.1072, 1.809) [0.9091, 0.005268, 0.08905]\n", + " PeriodicSite: Li (4.457, 10.15, 2.94) [0.2194, 0.4995, 0.1447]\n", + " PeriodicSite: Li (9.665, 8.178, 18.93) [0.4758, 0.4026, 0.9318]\n", + " PeriodicSite: Li (8.696, 15.77, 7.444) [0.4281, 0.7764, 0.3665]\n", + " PeriodicSite: Li (7.3, 19.77, 15.67) [0.3594, 0.9735, 0.7714]\n", + " PeriodicSite: Li (18.02, 5.495, 7.388) [0.8871, 0.2705, 0.3637]\n", + " PeriodicSite: Li (19.09, 10.65, 18.39) [0.9397, 0.5241, 0.9051]\n", + " PeriodicSite: Li (3.41, 15.19, 1.695) [0.1679, 0.7477, 0.08347]\n", + " PeriodicSite: Li (16.28, 1.965, 15.08) [0.8014, 0.09674, 0.7426]\n", + " PeriodicSite: Cl (7.275, 12.06, 12.68) [0.3582, 0.5936, 0.6243]\n", + " PeriodicSite: Cl (2.622, 12.47, 17.66) [0.1291, 0.614, 0.8692]\n", + " PeriodicSite: Cl (13.2, 17.45, 13.48) [0.6501, 0.8588, 0.6637]\n", + " PeriodicSite: Cl (17.83, 7.361, 17.28) [0.878, 0.3624, 0.8507]\n", + " PeriodicSite: Cl (7.27, 2.34, 2.434) [0.3579, 0.1152, 0.1198]\n", + " PeriodicSite: Cl (7.631, 7.618, 7.592) [0.3757, 0.375, 0.3738]\n", + " PeriodicSite: Cl (12.31, 12.4, 7.766) [0.6059, 0.6104, 0.3823]\n", + " PeriodicSite: Cl (2.349, 7.54, 2.45) [0.1156, 0.3712, 0.1206]\n", + " PeriodicSite: Cl (2.618, 7.683, 12.85) [0.1289, 0.3783, 0.6326]\n", + " PeriodicSite: Cl (12.69, 12.38, 17.23) [0.6247, 0.6094, 0.848]\n", + " PeriodicSite: Cl (17.76, 17.74, 17.88) [0.8743, 0.8734, 0.8804]\n", + " PeriodicSite: Cl (2.37, 2.401, 7.713) [0.1167, 0.1182, 0.3797]\n", + " PeriodicSite: Cl (12.87, 2.874, 17.96) [0.6334, 0.1415, 0.8841]\n", + " PeriodicSite: Cl (12.44, 7.824, 2.654) [0.6123, 0.3852, 0.1307]\n", + " PeriodicSite: Cl (17.99, 2.62, 12.69) [0.8855, 0.129, 0.6246]\n", + " PeriodicSite: Cl (7.913, 18.09, 17.77) [0.3896, 0.8905, 0.875]\n", + " PeriodicSite: Cl (0.1749, 0.06892, 0.3195) [0.008612, 0.003393, 0.01573]\n", + " PeriodicSite: Cl (20.27, 0.02089, 10.39) [0.9981, 0.00102, 0.5116]\n", + " PeriodicSite: Cl (0.2335, 10.49, 0.0971) [0.01149, 0.5165, 0.004781]\n", + " PeriodicSite: Cl (0.2359, 9.749, 10.01) [0.01161, 0.48, 0.4927]\n", + " PeriodicSite: Cl (10.01, 19.97, 19.82) [0.4928, 0.9833, 0.976]\n", + " PeriodicSite: Cl (9.874, 0.2992, 9.39) [0.4861, 0.01472, 0.4623]\n", + " PeriodicSite: Cl (10.28, 10.39, 20.02) [0.5062, 0.5114, 0.9855]\n", + " PeriodicSite: Cl (10.16, 10.4, 9.763) [0.5001, 0.5119, 0.4806]\n", + " PeriodicSite: Cl (20.03, 5.851, 5.024) [0.9859, 0.288, 0.2473]\n", + " PeriodicSite: Cl (0.3733, 5.028, 15.62) [0.01838, 0.2475, 0.7692]\n", + " PeriodicSite: Cl (0.1076, 15.58, 5.258) [0.005293, 0.767, 0.2589]\n", + " PeriodicSite: Cl (0.1145, 15.15, 15.37) [0.005634, 0.7457, 0.7567]\n", + " PeriodicSite: Cl (9.895, 5.273, 5.261) [0.4871, 0.2596, 0.259]\n", + " PeriodicSite: Cl (10.06, 5.335, 14.59) [0.4951, 0.2627, 0.7184]\n", + " PeriodicSite: Cl (10.21, 15.39, 5.151) [0.5028, 0.7574, 0.2536]\n", + " PeriodicSite: Cl (10.11, 14.86, 15.19) [0.4978, 0.7315, 0.7477]\n", + " PeriodicSite: S (4.609, 0.1529, 4.766) [0.2269, 0.007524, 0.2346]\n", + " PeriodicSite: S (5.053, 20.31, 15.2) [0.2487, 0.9997, 0.7485]\n", + " PeriodicSite: S (4.935, 10.05, 5.367) [0.243, 0.4946, 0.2642]\n", + " PeriodicSite: S (5.131, 10.38, 15.24) [0.2526, 0.5112, 0.7505]\n", + " PeriodicSite: S (14.98, 0.2451, 4.886) [0.7376, 0.01206, 0.2405]\n", + " PeriodicSite: S (15.05, 20.11, 15.3) [0.741, 0.9898, 0.7532]\n", + " PeriodicSite: S (15.53, 10.6, 5.002) [0.7648, 0.522, 0.2462]\n", + " PeriodicSite: S (15.43, 10.11, 14.97) [0.7597, 0.4979, 0.7371]\n", + " PeriodicSite: S (5.072, 5.202, 20.12) [0.2497, 0.2561, 0.9905]\n", + " PeriodicSite: S (5.196, 4.931, 10.03) [0.2558, 0.2428, 0.4936]\n", + " PeriodicSite: S (5.662, 15.29, 0.2358) [0.2787, 0.7525, 0.01161]\n", + " PeriodicSite: S (4.989, 15.37, 10.05) [0.2456, 0.7568, 0.4947]\n", + " PeriodicSite: S (15.26, 5.373, 0.1246) [0.7514, 0.2645, 0.006139]\n", + " PeriodicSite: S (14.96, 5.075, 9.854) [0.7366, 0.2498, 0.4851]\n", + " PeriodicSite: S (15.43, 15.14, 0.1586) [0.7596, 0.7451, 0.007812]\n", + " PeriodicSite: S (15.26, 15.11, 10.61) [0.7515, 0.7438, 0.5222]\n", + " PeriodicSite: S (8.709, 4.174, 8.71) [0.4288, 0.2055, 0.4288]\n", + " PeriodicSite: S (9.125, 3.812, 19.46) [0.4492, 0.1876, 0.9579]\n", + " PeriodicSite: S (8.808, 14.23, 9.433) [0.4336, 0.7005, 0.4644]\n", + " PeriodicSite: S (9.087, 13.95, 19.25) [0.4474, 0.6867, 0.9479]\n", + " PeriodicSite: S (18.41, 3.711, 9.356) [0.9065, 0.1827, 0.4606]\n", + " PeriodicSite: S (18.85, 4.291, 19.14) [0.9282, 0.2112, 0.9421]\n", + " PeriodicSite: S (19.11, 13.67, 9.251) [0.941, 0.6731, 0.4555]\n", + " PeriodicSite: S (19.02, 13.79, 19.42) [0.9366, 0.6787, 0.9562]\n", + " PeriodicSite: S (3.818, 0.9024, 1.214) [0.1879, 0.04442, 0.05979]\n", + " PeriodicSite: S (3.587, 1.063, 11.3) [0.1766, 0.05231, 0.5565]\n", + " PeriodicSite: S (3.979, 11.76, 1.371) [0.1959, 0.579, 0.06748]\n", + " PeriodicSite: S (3.826, 11.41, 11.35) [0.1883, 0.5615, 0.5586]\n", + " PeriodicSite: S (13.85, 1.035, 1.125) [0.6819, 0.05094, 0.0554]\n", + " PeriodicSite: S (14.16, 1.503, 11.3) [0.6972, 0.07401, 0.5562]\n", + " PeriodicSite: S (14.46, 11.6, 0.7866) [0.7118, 0.571, 0.03873]\n", + " PeriodicSite: S (13.45, 11.12, 11.36) [0.6622, 0.5473, 0.5594]\n", + " PeriodicSite: S (6.045, 1.319, 8.604) [0.2976, 0.06493, 0.4236]\n", + " PeriodicSite: S (6.233, 1.419, 19.17) [0.3069, 0.06988, 0.9438]\n", + " PeriodicSite: S (6.199, 10.98, 9.121) [0.3052, 0.5408, 0.449]\n", + " PeriodicSite: S (6.311, 11.34, 19.06) [0.3107, 0.5583, 0.9382]\n", + " PeriodicSite: S (16.57, 1.449, 9.143) [0.8158, 0.07135, 0.4501]\n", + " PeriodicSite: S (16.15, 1.138, 19.0) [0.7953, 0.05602, 0.9355]\n", + " PeriodicSite: S (15.63, 11.52, 8.828) [0.7693, 0.5672, 0.4346]\n", + " PeriodicSite: S (16.87, 10.87, 19.29) [0.8304, 0.5352, 0.9498]\n", + " PeriodicSite: S (1.133, 3.799, 1.022) [0.05576, 0.187, 0.0503]\n", + " PeriodicSite: S (0.8404, 3.878, 11.23) [0.04137, 0.1909, 0.5529]\n", + " PeriodicSite: S (1.329, 13.99, 0.9144) [0.06541, 0.6885, 0.04502]\n", + " PeriodicSite: S (1.23, 13.86, 11.65) [0.06057, 0.6824, 0.5737]\n", + " PeriodicSite: S (11.12, 3.76, 1.786) [0.5475, 0.1851, 0.08793]\n", + " PeriodicSite: S (11.26, 3.831, 11.17) [0.5545, 0.1886, 0.5498]\n", + " PeriodicSite: S (12.08, 13.97, 0.783) [0.5945, 0.6879, 0.03855]\n", + " PeriodicSite: S (11.67, 14.28, 11.51) [0.5747, 0.7029, 0.5666]\n", + " PeriodicSite: S (2.574, 2.642, 17.98) [0.1267, 0.1301, 0.8849]\n", + " PeriodicSite: S (2.404, 12.46, 7.839) [0.1183, 0.6135, 0.3859]\n", + " PeriodicSite: S (12.56, 2.655, 7.427) [0.6181, 0.1307, 0.3656]\n", + " PeriodicSite: S (9.149, 9.364, 3.802) [0.4504, 0.461, 0.1872]\n", + " PeriodicSite: S (8.901, 8.689, 13.9) [0.4382, 0.4277, 0.6844]\n", + " PeriodicSite: S (8.753, 18.96, 3.581) [0.4309, 0.9335, 0.1763]\n", + " PeriodicSite: S (9.146, 18.91, 14.57) [0.4503, 0.9311, 0.7175]\n", + " PeriodicSite: S (18.9, 9.095, 3.841) [0.9304, 0.4478, 0.1891]\n", + " PeriodicSite: S (19.49, 9.178, 14.02) [0.9595, 0.4518, 0.6901]\n", + " PeriodicSite: S (19.27, 18.96, 3.935) [0.9487, 0.9334, 0.1937]\n", + " PeriodicSite: S (19.48, 18.76, 14.69) [0.959, 0.9238, 0.7233]\n", + " PeriodicSite: S (3.409, 5.692, 6.216) [0.1678, 0.2802, 0.306]\n", + " PeriodicSite: S (4.082, 6.312, 16.44) [0.2009, 0.3107, 0.8094]\n", + " PeriodicSite: S (3.739, 16.43, 6.355) [0.1841, 0.8088, 0.3129]\n", + " PeriodicSite: S (3.705, 15.97, 16.43) [0.1824, 0.7863, 0.8088]\n", + " PeriodicSite: S (13.76, 5.863, 6.34) [0.6774, 0.2886, 0.3121]\n", + " PeriodicSite: S (13.94, 6.24, 16.27) [0.6861, 0.3072, 0.8012]\n", + " PeriodicSite: S (14.06, 16.77, 6.552) [0.6919, 0.8255, 0.3226]\n", + " PeriodicSite: S (14.47, 15.82, 17.03) [0.7123, 0.7789, 0.8384]\n", + " PeriodicSite: S (5.755, 6.554, 4.085) [0.2833, 0.3227, 0.2011]\n", + " PeriodicSite: S (6.13, 6.582, 14.2) [0.3018, 0.324, 0.699]\n", + " PeriodicSite: S (6.208, 16.39, 4.219) [0.3056, 0.8068, 0.2077]\n", + " PeriodicSite: S (6.227, 16.78, 14.26) [0.3066, 0.826, 0.7021]\n", + " PeriodicSite: S (16.1, 6.267, 3.971) [0.7925, 0.3085, 0.1955]\n", + " PeriodicSite: S (16.61, 6.303, 13.99) [0.8176, 0.3103, 0.6888]\n", + " PeriodicSite: S (16.5, 16.45, 4.279) [0.8124, 0.8101, 0.2107]\n", + " PeriodicSite: S (16.66, 16.38, 14.51) [0.8201, 0.8066, 0.7145]\n", + " PeriodicSite: S (1.239, 9.231, 5.811) [0.061, 0.4545, 0.2861]\n", + " PeriodicSite: S (1.637, 8.885, 16.17) [0.08057, 0.4374, 0.7959]\n", + " PeriodicSite: S (1.156, 18.91, 6.338) [0.05691, 0.9308, 0.312]\n", + " PeriodicSite: S (1.633, 19.34, 16.81) [0.08041, 0.9521, 0.8276]\n", + " PeriodicSite: S (11.04, 9.388, 6.378) [0.5437, 0.4622, 0.314]\n", + " PeriodicSite: S (11.26, 8.978, 16.46) [0.5544, 0.442, 0.8104]\n", + " PeriodicSite: S (10.82, 18.85, 6.218) [0.5327, 0.9282, 0.3061]\n", + " PeriodicSite: S (11.8, 19.33, 16.53) [0.5808, 0.9519, 0.8139]\n", + " PeriodicSite: S (2.609, 17.6, 2.147) [0.1284, 0.8662, 0.1057]\n", + " PeriodicSite: S (2.653, 17.4, 13.07) [0.1306, 0.8565, 0.6433]\n", + " PeriodicSite: S (12.75, 7.573, 12.57) [0.6278, 0.3728, 0.6189]\n", + " PeriodicSite: S (12.63, 17.81, 2.556) [0.6217, 0.8769, 0.1259]\n", + " PeriodicSite: S (3.626, 4.02, 3.334) [0.1785, 0.1979, 0.1642]\n", + " PeriodicSite: S (3.828, 3.884, 14.1) [0.1885, 0.1912, 0.694]\n", + " PeriodicSite: S (3.57, 14.12, 3.885) [0.1757, 0.6949, 0.1913]\n", + " PeriodicSite: S (4.68, 13.89, 14.02) [0.2304, 0.684, 0.6901]\n", + " PeriodicSite: S (14.09, 3.801, 3.92) [0.6937, 0.1871, 0.193]\n", + " PeriodicSite: S (14.4, 3.609, 14.0) [0.7089, 0.1777, 0.6894]\n", + " PeriodicSite: S (13.76, 14.38, 4.146) [0.6777, 0.7081, 0.2041]\n", + " PeriodicSite: S (14.19, 13.89, 14.56) [0.6988, 0.684, 0.7169]\n", + " PeriodicSite: S (8.741, 1.108, 5.849) [0.4303, 0.05457, 0.2879]\n", + " PeriodicSite: S (9.562, 1.552, 16.18) [0.4707, 0.0764, 0.7967]\n", + " PeriodicSite: S (8.438, 11.96, 6.068) [0.4154, 0.5888, 0.2988]\n", + " PeriodicSite: S (8.774, 11.38, 16.1) [0.432, 0.5603, 0.7928]\n", + " PeriodicSite: S (19.37, 1.091, 6.691) [0.9536, 0.05368, 0.3294]\n", + " PeriodicSite: S (19.09, 0.5976, 17.35) [0.9397, 0.02941, 0.8543]\n", + " PeriodicSite: S (19.12, 11.46, 6.21) [0.9413, 0.5642, 0.3057]\n", + " PeriodicSite: S (19.56, 11.63, 16.12) [0.963, 0.5726, 0.7936]\n", + " PeriodicSite: S (0.9549, 1.322, 4.042) [0.04701, 0.06508, 0.199]\n", + " PeriodicSite: S (0.6147, 1.37, 14.56) [0.03027, 0.06742, 0.7166]\n", + " PeriodicSite: S (0.6746, 11.7, 3.617) [0.03321, 0.5758, 0.1781]\n", + " PeriodicSite: S (1.431, 11.39, 13.68) [0.07044, 0.5609, 0.6736]\n", + " PeriodicSite: S (11.01, 0.9503, 3.512) [0.542, 0.04678, 0.1729]\n", + " PeriodicSite: S (11.43, 0.8887, 13.65) [0.5627, 0.04375, 0.6721]\n", + " PeriodicSite: S (11.17, 11.81, 4.003) [0.5498, 0.5814, 0.1971]\n", + " PeriodicSite: S (11.04, 10.97, 13.63) [0.5435, 0.5403, 0.6712]\n", + " PeriodicSite: S (5.994, 3.775, 5.993) [0.2951, 0.1859, 0.295]\n", + " PeriodicSite: S (6.295, 3.838, 16.42) [0.3099, 0.1889, 0.8082]\n", + " PeriodicSite: S (6.052, 14.04, 6.433) [0.2979, 0.6914, 0.3167]\n", + " PeriodicSite: S (6.498, 14.45, 16.65) [0.3199, 0.7114, 0.8199]\n", + " PeriodicSite: S (16.53, 3.768, 6.305) [0.8136, 0.1855, 0.3104]\n", + " PeriodicSite: S (16.49, 3.993, 16.41) [0.8118, 0.1966, 0.808]\n", + " PeriodicSite: S (16.06, 14.24, 6.978) [0.7904, 0.701, 0.3435]\n", + " PeriodicSite: S (17.06, 13.8, 16.47) [0.84, 0.6796, 0.8108]\n", + " PeriodicSite: S (7.321, 2.711, 12.62) [0.3604, 0.1335, 0.6213]\n", + " PeriodicSite: S (7.759, 12.89, 2.416) [0.382, 0.6347, 0.119]\n", + " PeriodicSite: S (17.69, 2.378, 2.407) [0.8709, 0.1171, 0.1185]\n", + " PeriodicSite: S (17.6, 12.97, 2.919) [0.8663, 0.6384, 0.1437]\n", + " PeriodicSite: S (17.53, 12.77, 12.77) [0.8629, 0.6287, 0.6289]\n", + " PeriodicSite: S (3.735, 8.751, 9.04) [0.1839, 0.4308, 0.4451]\n", + " PeriodicSite: S (3.907, 9.091, 19.69) [0.1923, 0.4476, 0.9693]\n", + " PeriodicSite: S (3.697, 19.31, 8.705) [0.182, 0.9507, 0.4286]\n", + " PeriodicSite: S (4.093, 19.05, 18.81) [0.2015, 0.938, 0.9258]\n", + " PeriodicSite: S (13.45, 8.778, 8.888) [0.6623, 0.4321, 0.4376]\n", + " PeriodicSite: S (14.07, 9.112, 18.96) [0.6929, 0.4486, 0.9332]\n", + " PeriodicSite: S (13.79, 19.55, 8.849) [0.6787, 0.9622, 0.4357]\n", + " PeriodicSite: S (14.14, 18.83, 19.1) [0.6961, 0.927, 0.9401]\n", + " PeriodicSite: S (8.6, 6.289, 1.179) [0.4234, 0.3096, 0.05805]\n", + " PeriodicSite: S (9.063, 6.652, 10.78) [0.4462, 0.3275, 0.5309]\n", + " PeriodicSite: S (9.498, 16.37, 1.115) [0.4676, 0.806, 0.05492]\n", + " PeriodicSite: S (9.344, 16.84, 11.43) [0.46, 0.8291, 0.5628]\n", + " PeriodicSite: S (18.97, 6.396, 1.2) [0.9337, 0.3149, 0.05907]\n", + " PeriodicSite: S (18.98, 6.407, 11.18) [0.9342, 0.3154, 0.5506]\n", + " PeriodicSite: S (19.39, 16.57, 1.081) [0.9546, 0.816, 0.05322]\n", + " PeriodicSite: S (19.09, 16.43, 11.39) [0.9398, 0.8091, 0.5608]\n", + " PeriodicSite: S (0.733, 5.704, 8.566) [0.03609, 0.2808, 0.4217]\n", + " PeriodicSite: S (1.234, 6.419, 19.46) [0.06076, 0.316, 0.9579]\n", + " PeriodicSite: S (1.182, 16.05, 9.243) [0.0582, 0.7899, 0.4551]\n", + " PeriodicSite: S (0.8124, 16.38, 18.72) [0.03999, 0.8064, 0.9216]\n", + " PeriodicSite: S (11.32, 6.109, 8.651) [0.5574, 0.3008, 0.4259]\n", + " PeriodicSite: S (11.19, 6.491, 19.75) [0.5507, 0.3195, 0.9725]\n", + " PeriodicSite: S (11.41, 16.5, 9.029) [0.5616, 0.8121, 0.4445]\n", + " PeriodicSite: S (11.73, 16.06, 18.62) [0.5773, 0.7905, 0.9166]\n", + " PeriodicSite: S (6.359, 9.528, 1.766) [0.3131, 0.4691, 0.08697]\n", + " PeriodicSite: S (5.823, 8.833, 11.68) [0.2867, 0.4349, 0.575]\n", + " PeriodicSite: S (6.443, 19.35, 1.024) [0.3172, 0.9525, 0.05039]\n", + " PeriodicSite: S (5.981, 19.03, 11.2) [0.2944, 0.937, 0.5516]\n", + " PeriodicSite: S (16.27, 8.728, 1.442) [0.8008, 0.4297, 0.07101]\n", + " PeriodicSite: S (16.08, 9.178, 11.04) [0.7915, 0.4518, 0.5436]\n", + " PeriodicSite: S (16.52, 19.22, 1.009) [0.8133, 0.9463, 0.0497]\n", + " PeriodicSite: S (15.84, 18.93, 11.12) [0.7797, 0.9321, 0.5473]\n", + " PeriodicSite: S (7.505, 7.682, 17.79) [0.3695, 0.3782, 0.8756]\n", + " PeriodicSite: S (7.404, 17.71, 7.681) [0.3645, 0.8719, 0.3782]\n", + " PeriodicSite: S (17.44, 7.84, 7.659) [0.8585, 0.3859, 0.3771]\n", + " PeriodicSite: S (17.55, 17.9, 7.873) [0.8639, 0.8812, 0.3876]\n", + " PeriodicSite: P (5.062, 0.04994, 20.17) [0.2492, 0.002458, 0.9928]\n", + " PeriodicSite: P (4.855, 0.1077, 9.955) [0.239, 0.005298, 0.4901]\n", + " PeriodicSite: P (5.175, 10.46, 0.27) [0.2548, 0.5149, 0.01329]\n", + " PeriodicSite: P (4.897, 9.948, 10.33) [0.2411, 0.4897, 0.5083]\n", + " PeriodicSite: P (15.16, 20.22, 0.001482) [0.7464, 0.9954, 7.874e-05]\n", + " PeriodicSite: P (15.09, 0.3398, 10.09) [0.7427, 0.01672, 0.4968]\n", + " PeriodicSite: P (15.42, 9.981, 0.005029) [0.759, 0.4914, 0.0002526]\n", + " PeriodicSite: P (14.62, 10.08, 9.954) [0.7198, 0.4961, 0.49]\n", + " PeriodicSite: P (4.671, 4.982, 4.778) [0.23, 0.2453, 0.2352]\n", + " PeriodicSite: P (5.055, 5.213, 15.2) [0.2489, 0.2566, 0.7484]\n", + " PeriodicSite: P (4.941, 15.16, 5.153) [0.2433, 0.7463, 0.2537]\n", + " PeriodicSite: P (5.218, 15.28, 15.36) [0.2569, 0.7521, 0.756]\n", + " PeriodicSite: P (15.2, 4.987, 5.157) [0.7482, 0.2455, 0.2539]\n", + " PeriodicSite: P (15.24, 5.118, 15.16) [0.7502, 0.2519, 0.7463]\n", + " PeriodicSite: P (15.11, 15.4, 5.497) [0.7439, 0.758, 0.2706]\n", + " PeriodicSite: P (15.6, 15.01, 15.56) [0.7682, 0.7387, 0.7661]\n", + " PeriodicSite: P (20.14, 20.25, 5.271) [0.9913, 0.9967, 0.2595]\n", + " PeriodicSite: P (20.31, 20.2, 15.89) [0.9999, 0.9943, 0.7822]\n", + " PeriodicSite: P (20.19, 10.34, 4.783) [0.9938, 0.5093, 0.2355]\n", + " PeriodicSite: P (0.493, 10.3, 15.1) [0.02427, 0.507, 0.7433]\n", + " PeriodicSite: P (9.921, 20.07, 4.909) [0.4884, 0.9882, 0.2417]\n", + " PeriodicSite: P (10.59, 0.01538, 15.26) [0.5216, 0.0007537, 0.7515]\n", + " PeriodicSite: P (10.05, 10.66, 5.109) [0.4946, 0.5247, 0.2515]\n", + " PeriodicSite: P (10.05, 9.956, 15.08) [0.4947, 0.4901, 0.7422]\n", + " PeriodicSite: P (20.15, 5.23, 0.03898) [0.9919, 0.2575, 0.001925]\n", + " PeriodicSite: P (19.85, 4.957, 10.06) [0.9771, 0.2441, 0.4954]\n", + " PeriodicSite: P (0.1073, 15.18, 20.14) [0.005283, 0.7471, 0.9914]\n", + " PeriodicSite: P (20.25, 14.98, 10.48) [0.9969, 0.7375, 0.5158]\n", + " PeriodicSite: P (10.08, 5.075, 0.3984) [0.4965, 0.2498, 0.01961]\n", + " PeriodicSite: P (10.09, 5.047, 9.927) [0.4967, 0.2485, 0.4887]\n", + " PeriodicSite: P (10.63, 15.13, 20.1) [0.5234, 0.7449, 0.9898]\n", + " PeriodicSite: P (10.34, 15.39, 10.45) [0.509, 0.7576, 0.5143],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.6476, 5.816, 3.232) [0.03188, 0.2863, 0.1591]\n", + " PeriodicSite: Li (1.825, 3.607, 15.92) [0.08986, 0.1776, 0.7839]\n", + " PeriodicSite: Li (0.06599, 12.2, 8.315) [0.003245, 0.6005, 0.4094]\n", + " PeriodicSite: Li (0.4298, 13.48, 16.89) [0.02116, 0.6635, 0.8314]\n", + " PeriodicSite: Li (14.4, 0.9898, 7.312) [0.7088, 0.04872, 0.36]\n", + " PeriodicSite: Li (12.26, 3.952, 15.29) [0.6035, 0.1946, 0.7527]\n", + " PeriodicSite: Li (16.68, 12.12, 4.844) [0.8214, 0.5965, 0.2385]\n", + " PeriodicSite: Li (17.6, 8.305, 15.36) [0.8663, 0.4089, 0.7561]\n", + " PeriodicSite: Li (5.006, 4.061, 8.174) [0.2464, 0.1999, 0.4024]\n", + " PeriodicSite: Li (1.921, 0.401, 18.86) [0.09457, 0.01974, 0.9287]\n", + " PeriodicSite: Li (3.288, 7.91, 4.596) [0.1619, 0.3894, 0.2263]\n", + " PeriodicSite: Li (6.721, 9.892, 17.23) [0.3309, 0.487, 0.8484]\n", + " PeriodicSite: Li (11.94, 4.712, 6.645) [0.588, 0.232, 0.3271]\n", + " PeriodicSite: Li (12.97, 3.0, 0.2807) [0.6385, 0.1477, 0.01382]\n", + " PeriodicSite: Li (11.86, 9.809, 12.06) [0.5838, 0.4829, 0.5936]\n", + " PeriodicSite: Li (10.08, 18.23, 18.94) [0.4963, 0.8975, 0.9325]\n", + " PeriodicSite: Li (5.016, 1.369, 7.128) [0.2469, 0.06739, 0.3509]\n", + " PeriodicSite: Li (2.818, 20.26, 13.78) [0.1387, 0.9972, 0.6782]\n", + " PeriodicSite: Li (3.345, 10.15, 6.76) [0.1647, 0.4997, 0.3328]\n", + " PeriodicSite: Li (6.793, 9.817, 13.71) [0.3344, 0.4833, 0.6748]\n", + " PeriodicSite: Li (11.81, 0.396, 8.592) [0.5812, 0.01949, 0.423]\n", + " PeriodicSite: Li (10.93, 1.087, 18.23) [0.5383, 0.05349, 0.8974]\n", + " PeriodicSite: Li (13.46, 15.17, 8.43) [0.6629, 0.747, 0.415]\n", + " PeriodicSite: Li (12.23, 10.27, 18.65) [0.6021, 0.5057, 0.918]\n", + " PeriodicSite: Li (1.042, 4.098, 6.599) [0.05131, 0.2018, 0.3249]\n", + " PeriodicSite: Li (0.1063, 2.524, 17.9) [0.005238, 0.1243, 0.8813]\n", + " PeriodicSite: Li (1.658, 14.82, 6.889) [0.08162, 0.7296, 0.3392]\n", + " PeriodicSite: Li (4.519, 14.31, 18.3) [0.2225, 0.7046, 0.9008]\n", + " PeriodicSite: Li (12.85, 1.624, 5.291) [0.6324, 0.07993, 0.2605]\n", + " PeriodicSite: Li (13.71, 0.9136, 17.05) [0.6751, 0.04497, 0.8392]\n", + " PeriodicSite: Li (10.32, 12.08, 8.799) [0.5081, 0.5947, 0.4332]\n", + " PeriodicSite: Li (16.19, 17.55, 19.65) [0.7973, 0.8638, 0.9675]\n", + " PeriodicSite: Li (7.298, 20.21, 4.094) [0.3593, 0.995, 0.2015]\n", + " PeriodicSite: Li (0.766, 18.15, 0.8141) [0.0377, 0.8935, 0.04008]\n", + " PeriodicSite: Li (2.569, 14.4, 9.694) [0.1265, 0.7088, 0.4772]\n", + " PeriodicSite: Li (1.635, 17.38, 15.31) [0.0805, 0.8559, 0.7539]\n", + " PeriodicSite: Li (14.55, 4.239, 8.105) [0.7165, 0.2087, 0.399]\n", + " PeriodicSite: Li (14.49, 4.131, 18.34) [0.7135, 0.2034, 0.903]\n", + " PeriodicSite: Li (18.09, 15.58, 7.655) [0.8905, 0.7669, 0.3769]\n", + " PeriodicSite: Li (10.06, 13.2, 16.63) [0.4952, 0.6498, 0.8186]\n", + " PeriodicSite: Li (5.073, 1.806, 3.19) [0.2498, 0.08892, 0.157]\n", + " PeriodicSite: Li (3.369, 1.039, 16.33) [0.1659, 0.05115, 0.804]\n", + " PeriodicSite: Li (3.132, 12.57, 5.511) [0.1542, 0.6189, 0.2713]\n", + " PeriodicSite: Li (19.17, 13.38, 4.49) [0.9439, 0.6587, 0.2211]\n", + " PeriodicSite: Li (10.22, 2.234, 7.642) [0.503, 0.11, 0.3762]\n", + " PeriodicSite: Li (16.72, 20.27, 17.01) [0.8232, 0.9979, 0.8372]\n", + " PeriodicSite: Li (14.29, 12.1, 3.488) [0.7037, 0.5955, 0.1717]\n", + " PeriodicSite: Li (14.8, 8.032, 16.75) [0.7286, 0.3954, 0.8247]\n", + " PeriodicSite: Li (3.492, 12.5, 15.59) [0.1719, 0.6154, 0.7673]\n", + " PeriodicSite: Li (2.345, 10.88, 9.39) [0.1154, 0.5357, 0.4623]\n", + " PeriodicSite: Li (0.809, 15.84, 2.788) [0.03982, 0.7796, 0.1373]\n", + " PeriodicSite: Li (1.848, 0.7331, 9.309) [0.091, 0.03609, 0.4583]\n", + " PeriodicSite: Li (12.04, 5.407, 3.219) [0.5929, 0.2662, 0.1585]\n", + " PeriodicSite: Li (12.0, 7.041, 14.92) [0.5907, 0.3467, 0.7346]\n", + " PeriodicSite: Li (11.74, 13.48, 5.615) [0.5781, 0.6635, 0.2764]\n", + " PeriodicSite: Li (13.33, 20.04, 13.9) [0.6563, 0.9864, 0.6843]\n", + " PeriodicSite: Li (3.336, 5.605, 1.392) [0.1643, 0.2759, 0.06855]\n", + " PeriodicSite: Li (2.687, 4.577, 9.874) [0.1323, 0.2253, 0.4861]\n", + " PeriodicSite: Li (7.572, 16.27, 19.44) [0.3728, 0.801, 0.9569]\n", + " PeriodicSite: Li (4.751, 18.35, 16.32) [0.2339, 0.9035, 0.8036]\n", + " PeriodicSite: Li (14.82, 6.774, 2.06) [0.7295, 0.3335, 0.1014]\n", + " PeriodicSite: Li (10.17, 6.664, 12.74) [0.5007, 0.3281, 0.6274]\n", + " PeriodicSite: Li (13.2, 18.56, 5.025) [0.65, 0.9138, 0.2474]\n", + " PeriodicSite: Li (10.72, 17.09, 13.4) [0.5275, 0.8412, 0.6596]\n", + " PeriodicSite: Li (3.495, 10.06, 17.08) [0.1721, 0.4952, 0.8407]\n", + " PeriodicSite: Li (4.543, 6.218, 12.28) [0.2237, 0.3061, 0.6047]\n", + " PeriodicSite: Li (4.867, 18.48, 3.301) [0.2396, 0.9097, 0.1625]\n", + " PeriodicSite: Li (3.404, 17.34, 10.43) [0.1676, 0.8538, 0.5134]\n", + " PeriodicSite: Li (10.78, 8.658, 1.738) [0.5307, 0.4262, 0.08556]\n", + " PeriodicSite: Li (14.39, 5.966, 12.69) [0.7086, 0.2937, 0.6246]\n", + " PeriodicSite: Li (11.48, 16.01, 2.993) [0.565, 0.7883, 0.1473]\n", + " PeriodicSite: Li (14.16, 15.6, 12.51) [0.6971, 0.7682, 0.6158]\n", + " PeriodicSite: Li (0.3537, 8.516, 1.673) [0.01741, 0.4193, 0.08237]\n", + " PeriodicSite: Li (17.03, 6.221, 10.31) [0.8382, 0.3063, 0.5073]\n", + " PeriodicSite: Li (1.828, 17.54, 4.774) [0.09001, 0.8638, 0.235]\n", + " PeriodicSite: Li (0.304, 18.45, 12.09) [0.01496, 0.9084, 0.5951]\n", + " PeriodicSite: Li (10.54, 7.816, 4.736) [0.5188, 0.3848, 0.2332]\n", + " PeriodicSite: Li (13.35, 10.74, 15.33) [0.6573, 0.5286, 0.7545]\n", + " PeriodicSite: Li (14.46, 15.45, 2.377) [0.7119, 0.7605, 0.117]\n", + " PeriodicSite: Li (12.59, 14.82, 16.51) [0.6197, 0.7295, 0.8128]\n", + " PeriodicSite: Li (5.479, 7.769, 6.401) [0.2697, 0.3825, 0.3151]\n", + " PeriodicSite: Li (19.9, 11.98, 12.0) [0.9796, 0.5898, 0.591]\n", + " PeriodicSite: Li (18.51, 17.14, 5.145) [0.9113, 0.8439, 0.2533]\n", + " PeriodicSite: Li (4.762, 18.57, 13.33) [0.2344, 0.9142, 0.6564]\n", + " PeriodicSite: Li (17.28, 10.48, 2.711) [0.8509, 0.516, 0.1335]\n", + " PeriodicSite: Li (13.32, 7.2, 10.48) [0.6558, 0.3545, 0.5158]\n", + " PeriodicSite: Li (13.23, 17.46, 0.3281) [0.6512, 0.8594, 0.01616]\n", + " PeriodicSite: Li (13.46, 17.5, 10.51) [0.6624, 0.8613, 0.5172]\n", + " PeriodicSite: Li (2.862, 2.911, 20.17) [0.1409, 0.1433, 0.993]\n", + " PeriodicSite: Li (3.835, 9.92, 13.18) [0.1888, 0.4884, 0.6489]\n", + " PeriodicSite: Li (2.632, 20.15, 2.783) [0.1296, 0.9919, 0.137]\n", + " PeriodicSite: Li (1.789, 15.25, 13.45) [0.08808, 0.7506, 0.662]\n", + " PeriodicSite: Li (14.46, 9.417, 2.991) [0.712, 0.4636, 0.1472]\n", + " PeriodicSite: Li (14.66, 8.723, 13.1) [0.7216, 0.4294, 0.6451]\n", + " PeriodicSite: Li (15.31, 18.26, 3.025) [0.7536, 0.899, 0.1489]\n", + " PeriodicSite: Li (18.41, 5.119, 13.21) [0.9064, 0.252, 0.6502]\n", + " PeriodicSite: Li (9.336, 3.329, 3.337) [0.4596, 0.1639, 0.1643]\n", + " PeriodicSite: Li (9.153, 2.006, 11.8) [0.4506, 0.09876, 0.5811]\n", + " PeriodicSite: Li (6.897, 10.96, 3.692) [0.3395, 0.5396, 0.1817]\n", + " PeriodicSite: Li (6.574, 12.42, 15.24) [0.3236, 0.6112, 0.7503]\n", + " PeriodicSite: Li (18.24, 3.172, 4.908) [0.8978, 0.1561, 0.2416]\n", + " PeriodicSite: Li (12.89, 3.057, 9.996) [0.6347, 0.1505, 0.4921]\n", + " PeriodicSite: Li (20.02, 12.65, 1.835) [0.9855, 0.6228, 0.09032]\n", + " PeriodicSite: Li (17.61, 10.99, 14.12) [0.867, 0.5413, 0.695]\n", + " PeriodicSite: Li (5.475, 18.34, 6.677) [0.2695, 0.903, 0.3287]\n", + " PeriodicSite: Li (8.569, 3.122, 14.62) [0.4218, 0.1537, 0.7199]\n", + " PeriodicSite: Li (7.031, 13.62, 20.31) [0.3462, 0.6704, 1.0]\n", + " PeriodicSite: Li (9.867, 13.25, 13.1) [0.4858, 0.6524, 0.6451]\n", + " PeriodicSite: Li (13.18, 19.98, 2.848) [0.6491, 0.9834, 0.1402]\n", + " PeriodicSite: Li (19.35, 2.29, 11.26) [0.9525, 0.1127, 0.5543]\n", + " PeriodicSite: Li (17.15, 15.22, 2.022) [0.8441, 0.7491, 0.09954]\n", + " PeriodicSite: Li (17.19, 15.13, 11.74) [0.8461, 0.7448, 0.578]\n", + " PeriodicSite: Li (7.859, 5.541, 6.17) [0.3869, 0.2728, 0.3038]\n", + " PeriodicSite: Li (6.171, 0.5267, 12.77) [0.3038, 0.02593, 0.6289]\n", + " PeriodicSite: Li (10.02, 12.62, 1.633) [0.4935, 0.6215, 0.08041]\n", + " PeriodicSite: Li (5.279, 13.28, 11.66) [0.2599, 0.654, 0.5742]\n", + " PeriodicSite: Li (20.24, 2.039, 2.415) [0.9963, 0.1004, 0.1189]\n", + " PeriodicSite: Li (0.6658, 8.328, 12.02) [0.03278, 0.41, 0.5919]\n", + " PeriodicSite: Li (16.43, 13.03, 0.565) [0.8091, 0.6416, 0.02782]\n", + " PeriodicSite: Li (15.39, 12.24, 12.9) [0.7577, 0.6027, 0.6349]\n", + " PeriodicSite: Li (2.894, 20.27, 5.971) [0.1425, 0.9978, 0.294]\n", + " PeriodicSite: Li (5.675, 2.345, 14.57) [0.2794, 0.1154, 0.7173]\n", + " PeriodicSite: Li (5.362, 12.93, 2.252) [0.264, 0.6367, 0.1109]\n", + " PeriodicSite: Li (8.609, 6.647, 15.63) [0.4238, 0.3272, 0.7692]\n", + " PeriodicSite: Li (16.9, 4.584, 2.335) [0.8321, 0.2257, 0.1149]\n", + " PeriodicSite: Li (15.81, 18.15, 13.91) [0.7786, 0.8933, 0.6847]\n", + " PeriodicSite: Li (13.73, 14.58, 19.85) [0.6759, 0.7179, 0.9774]\n", + " PeriodicSite: Li (16.96, 12.88, 9.921) [0.8351, 0.6342, 0.4884]\n", + " PeriodicSite: Li (6.618, 3.154, 0.3068) [0.3258, 0.1553, 0.0151]\n", + " PeriodicSite: Li (4.93, 3.42, 12.09) [0.2427, 0.1684, 0.5954]\n", + " PeriodicSite: Li (7.938, 10.67, 0.8377) [0.3908, 0.5254, 0.04124]\n", + " PeriodicSite: Li (8.134, 11.55, 10.73) [0.4005, 0.5686, 0.5283]\n", + " PeriodicSite: Li (15.3, 1.565, 3.114) [0.7533, 0.07703, 0.1533]\n", + " PeriodicSite: Li (15.91, 3.368, 10.86) [0.7835, 0.1658, 0.5347]\n", + " PeriodicSite: Li (2.175, 12.01, 20.2) [0.1071, 0.5915, 0.9947]\n", + " PeriodicSite: Li (18.45, 13.7, 14.24) [0.9084, 0.6745, 0.7011]\n", + " PeriodicSite: Li (8.091, 0.5934, 0.2817) [0.3983, 0.02921, 0.01387]\n", + " PeriodicSite: Li (7.047, 3.116, 10.15) [0.3469, 0.1534, 0.4999]\n", + " PeriodicSite: Li (8.761, 13.51, 4.392) [0.4313, 0.6651, 0.2162]\n", + " PeriodicSite: Li (4.413, 16.26, 12.49) [0.2173, 0.8003, 0.6149]\n", + " PeriodicSite: Li (17.14, 3.092, 0.02601) [0.8438, 0.1522, 0.001286]\n", + " PeriodicSite: Li (2.057, 6.492, 14.59) [0.1013, 0.3196, 0.7185]\n", + " PeriodicSite: Li (4.668, 13.3, 8.353) [0.2298, 0.6548, 0.4112]\n", + " PeriodicSite: Li (13.27, 13.07, 9.945) [0.6534, 0.6436, 0.4896]\n", + " PeriodicSite: Li (13.69, 10.55, 6.838) [0.6741, 0.5195, 0.3367]\n", + " PeriodicSite: Li (5.863, 7.916, 15.77) [0.2886, 0.3897, 0.7764]\n", + " PeriodicSite: Li (7.166, 16.07, 10.31) [0.3528, 0.7913, 0.5075]\n", + " PeriodicSite: Li (3.912, 17.58, 0.1264) [0.1926, 0.8656, 0.006227]\n", + " PeriodicSite: Li (17.19, 9.954, 7.259) [0.8462, 0.49, 0.3574]\n", + " PeriodicSite: Li (2.948, 5.002, 18.53) [0.1451, 0.2463, 0.9123]\n", + " PeriodicSite: Li (17.04, 0.6295, 4.744) [0.839, 0.03098, 0.2335]\n", + " PeriodicSite: Li (19.57, 18.53, 18.11) [0.9632, 0.9123, 0.8916]\n", + " PeriodicSite: Li (7.07, 9.908, 6.864) [0.348, 0.4878, 0.3379]\n", + " PeriodicSite: Li (7.232, 5.713, 19.32) [0.356, 0.2812, 0.9513]\n", + " PeriodicSite: Li (8.037, 20.02, 7.885) [0.3957, 0.9854, 0.3882]\n", + " PeriodicSite: Li (8.542, 16.79, 15.48) [0.4205, 0.8268, 0.7621]\n", + " PeriodicSite: Li (19.17, 8.474, 9.405) [0.9439, 0.4172, 0.463]\n", + " PeriodicSite: Li (16.99, 6.45, 19.89) [0.8364, 0.3176, 0.9792]\n", + " PeriodicSite: Li (17.98, 20.24, 8.238) [0.8854, 0.9967, 0.4056]\n", + " PeriodicSite: Li (18.62, 16.61, 15.53) [0.9168, 0.8175, 0.7644]\n", + " PeriodicSite: Li (6.258, 7.155, 9.828) [0.3081, 0.3522, 0.4839]\n", + " PeriodicSite: Li (4.728, 3.17, 18.15) [0.2328, 0.1561, 0.8936]\n", + " PeriodicSite: Li (9.494, 18.31, 9.122) [0.4674, 0.9014, 0.4491]\n", + " PeriodicSite: Li (15.95, 11.34, 17.05) [0.7854, 0.5583, 0.8394]\n", + " PeriodicSite: Li (19.94, 7.246, 6.481) [0.9814, 0.3567, 0.3191]\n", + " PeriodicSite: Li (18.01, 5.299, 16.79) [0.8865, 0.2609, 0.8264]\n", + " PeriodicSite: Li (16.5, 17.0, 9.572) [0.8122, 0.837, 0.4713]\n", + " PeriodicSite: Li (16.61, 15.22, 18.2) [0.8175, 0.7495, 0.8962]\n", + " PeriodicSite: Li (9.811, 8.128, 9.49) [0.483, 0.4002, 0.4672]\n", + " PeriodicSite: Li (6.118, 5.116, 2.08) [0.3012, 0.2519, 0.1024]\n", + " PeriodicSite: Li (5.433, 15.75, 8.031) [0.2675, 0.7754, 0.3954]\n", + " PeriodicSite: Li (6.784, 15.26, 2.179) [0.334, 0.7512, 0.1073]\n", + " PeriodicSite: Li (15.35, 7.572, 7.724) [0.7559, 0.3728, 0.3802]\n", + " PeriodicSite: Li (0.2724, 7.267, 17.19) [0.01341, 0.3578, 0.8464]\n", + " PeriodicSite: Li (15.74, 18.68, 6.98) [0.7747, 0.9195, 0.3436]\n", + " PeriodicSite: Li (14.7, 18.45, 16.57) [0.7239, 0.9084, 0.816]\n", + " PeriodicSite: Li (7.265, 4.896, 12.07) [0.3577, 0.241, 0.594]\n", + " PeriodicSite: Li (5.43, 7.222, 18.77) [0.2673, 0.3555, 0.9241]\n", + " PeriodicSite: Li (8.161, 17.37, 5.649) [0.4018, 0.8553, 0.2781]\n", + " PeriodicSite: Li (10.94, 19.38, 2.437) [0.5386, 0.9542, 0.12]\n", + " PeriodicSite: Li (16.91, 8.217, 5.171) [0.8323, 0.4045, 0.2546]\n", + " PeriodicSite: Li (13.35, 6.492, 19.95) [0.6573, 0.3196, 0.9822]\n", + " PeriodicSite: Li (19.78, 18.05, 9.066) [0.9737, 0.8888, 0.4463]\n", + " PeriodicSite: Li (18.21, 0.1625, 2.128) [0.8966, 0.007992, 0.1048]\n", + " PeriodicSite: Li (4.382, 9.733, 2.77) [0.2157, 0.4792, 0.1364]\n", + " PeriodicSite: Li (9.659, 7.99, 18.4) [0.4755, 0.3933, 0.9059]\n", + " PeriodicSite: Li (8.19, 15.07, 7.549) [0.4032, 0.7421, 0.3716]\n", + " PeriodicSite: Li (7.136, 19.84, 15.9) [0.3513, 0.9768, 0.7826]\n", + " PeriodicSite: Li (17.69, 5.283, 7.162) [0.8711, 0.2601, 0.3526]\n", + " PeriodicSite: Li (19.41, 10.61, 18.35) [0.9554, 0.5224, 0.9036]\n", + " PeriodicSite: Li (3.221, 15.44, 1.711) [0.1586, 0.7599, 0.08425]\n", + " PeriodicSite: Li (15.59, 1.675, 13.29) [0.7673, 0.08245, 0.6543]\n", + " PeriodicSite: Cl (7.674, 12.44, 13.02) [0.3778, 0.6122, 0.6409]\n", + " PeriodicSite: Cl (2.653, 12.64, 17.59) [0.1306, 0.6224, 0.8659]\n", + " PeriodicSite: Cl (12.88, 17.5, 13.16) [0.634, 0.8616, 0.6479]\n", + " PeriodicSite: Cl (17.71, 7.385, 17.6) [0.872, 0.3636, 0.8667]\n", + " PeriodicSite: Cl (7.337, 2.051, 2.396) [0.3612, 0.101, 0.118]\n", + " PeriodicSite: Cl (7.313, 7.679, 7.615) [0.36, 0.3781, 0.3749]\n", + " PeriodicSite: Cl (12.49, 12.84, 7.65) [0.6151, 0.6321, 0.3766]\n", + " PeriodicSite: Cl (2.268, 7.512, 2.674) [0.1116, 0.3698, 0.1316]\n", + " PeriodicSite: Cl (2.718, 7.808, 12.83) [0.1338, 0.3844, 0.6315]\n", + " PeriodicSite: Cl (12.46, 12.55, 17.41) [0.6133, 0.6177, 0.8573]\n", + " PeriodicSite: Cl (17.37, 17.59, 17.63) [0.8552, 0.8661, 0.8679]\n", + " PeriodicSite: Cl (3.067, 2.253, 7.59) [0.151, 0.1109, 0.3737]\n", + " PeriodicSite: Cl (12.79, 2.725, 18.09) [0.6295, 0.1342, 0.8907]\n", + " PeriodicSite: Cl (12.64, 7.632, 2.87) [0.6223, 0.3758, 0.1413]\n", + " PeriodicSite: Cl (17.69, 2.869, 12.76) [0.8707, 0.1412, 0.6284]\n", + " PeriodicSite: Cl (8.148, 17.74, 17.83) [0.4011, 0.8732, 0.8778]\n", + " PeriodicSite: Cl (0.3177, 20.3, 0.1803) [0.01563, 0.9994, 0.00888]\n", + " PeriodicSite: Cl (0.1378, 19.97, 10.42) [0.006777, 0.9829, 0.5131]\n", + " PeriodicSite: Cl (0.447, 10.47, 20.28) [0.02201, 0.5155, 0.9983]\n", + " PeriodicSite: Cl (0.3502, 9.852, 10.07) [0.01724, 0.485, 0.4959]\n", + " PeriodicSite: Cl (10.34, 0.1901, 0.1495) [0.5093, 0.009355, 0.007361]\n", + " PeriodicSite: Cl (9.729, 0.5131, 9.577) [0.479, 0.02526, 0.4715]\n", + " PeriodicSite: Cl (10.11, 10.03, 20.24) [0.4976, 0.4938, 0.9962]\n", + " PeriodicSite: Cl (9.871, 10.33, 10.22) [0.4859, 0.5087, 0.503]\n", + " PeriodicSite: Cl (19.68, 4.919, 5.044) [0.9689, 0.2422, 0.2483]\n", + " PeriodicSite: Cl (0.06251, 5.611, 15.41) [0.003079, 0.2762, 0.7587]\n", + " PeriodicSite: Cl (0.1751, 15.55, 5.071) [0.008613, 0.7656, 0.2496]\n", + " PeriodicSite: Cl (0.2899, 15.2, 15.33) [0.01427, 0.7484, 0.7546]\n", + " PeriodicSite: Cl (10.07, 5.491, 4.925) [0.4957, 0.2703, 0.2425]\n", + " PeriodicSite: Cl (10.2, 5.201, 14.98) [0.5019, 0.256, 0.7374]\n", + " PeriodicSite: Cl (9.804, 15.3, 5.165) [0.4826, 0.7531, 0.2543]\n", + " PeriodicSite: Cl (10.36, 15.32, 15.12) [0.51, 0.754, 0.7442]\n", + " PeriodicSite: S (5.093, 20.16, 5.006) [0.2507, 0.9923, 0.2465]\n", + " PeriodicSite: S (5.002, 0.1622, 14.73) [0.2463, 0.007983, 0.725]\n", + " PeriodicSite: S (4.743, 9.618, 4.996) [0.2335, 0.4735, 0.246]\n", + " PeriodicSite: S (5.136, 10.25, 15.53) [0.2528, 0.5044, 0.7643]\n", + " PeriodicSite: S (14.97, 19.96, 5.011) [0.7371, 0.9826, 0.2467]\n", + " PeriodicSite: S (15.45, 20.17, 14.93) [0.7606, 0.9931, 0.7351]\n", + " PeriodicSite: S (15.15, 10.07, 4.845) [0.7458, 0.4957, 0.2385]\n", + " PeriodicSite: S (15.61, 9.914, 15.16) [0.7683, 0.4881, 0.7461]\n", + " PeriodicSite: S (5.089, 4.867, 20.0) [0.2505, 0.2396, 0.9848]\n", + " PeriodicSite: S (5.149, 5.025, 10.4) [0.2535, 0.2474, 0.5122]\n", + " PeriodicSite: S (5.373, 15.47, 0.1892) [0.2645, 0.7617, 0.009317]\n", + " PeriodicSite: S (4.747, 15.25, 10.43) [0.2337, 0.7508, 0.5136]\n", + " PeriodicSite: S (15.2, 4.718, 0.1449) [0.7483, 0.2323, 0.007137]\n", + " PeriodicSite: S (14.91, 5.179, 10.24) [0.7343, 0.255, 0.5042]\n", + " PeriodicSite: S (15.67, 15.4, 0.2477) [0.7717, 0.7583, 0.0122]\n", + " PeriodicSite: S (15.06, 15.14, 10.21) [0.7412, 0.7456, 0.5025]\n", + " PeriodicSite: S (8.613, 4.217, 8.526) [0.424, 0.2076, 0.4197]\n", + " PeriodicSite: S (8.825, 3.733, 19.6) [0.4345, 0.1838, 0.9651]\n", + " PeriodicSite: S (8.881, 14.19, 9.489) [0.4372, 0.6984, 0.4672]\n", + " PeriodicSite: S (9.556, 13.86, 18.94) [0.4705, 0.6822, 0.9323]\n", + " PeriodicSite: S (18.84, 4.032, 9.232) [0.9274, 0.1985, 0.4545]\n", + " PeriodicSite: S (19.11, 4.133, 19.01) [0.9406, 0.2035, 0.9358]\n", + " PeriodicSite: S (19.11, 14.11, 9.044) [0.9406, 0.6948, 0.4453]\n", + " PeriodicSite: S (19.32, 14.3, 18.94) [0.9514, 0.7038, 0.9325]\n", + " PeriodicSite: S (3.821, 1.362, 1.13) [0.1881, 0.06706, 0.05561]\n", + " PeriodicSite: S (3.832, 1.027, 11.21) [0.1887, 0.05057, 0.5521]\n", + " PeriodicSite: S (3.888, 11.53, 1.243) [0.1914, 0.5676, 0.06119]\n", + " PeriodicSite: S (3.835, 11.27, 11.12) [0.1888, 0.5547, 0.5474]\n", + " PeriodicSite: S (14.1, 1.144, 1.124) [0.6942, 0.05632, 0.05534]\n", + " PeriodicSite: S (14.08, 1.603, 11.44) [0.6929, 0.07893, 0.5634]\n", + " PeriodicSite: S (14.15, 11.17, 0.892) [0.6965, 0.5497, 0.04392]\n", + " PeriodicSite: S (13.9, 11.17, 11.43) [0.6846, 0.5497, 0.5627]\n", + " PeriodicSite: S (6.348, 0.9908, 9.021) [0.3125, 0.04877, 0.4441]\n", + " PeriodicSite: S (6.372, 1.308, 19.25) [0.3137, 0.06439, 0.9476]\n", + " PeriodicSite: S (6.258, 11.4, 9.048) [0.3081, 0.5611, 0.4454]\n", + " PeriodicSite: S (6.39, 11.49, 19.29) [0.3146, 0.5659, 0.9499]\n", + " PeriodicSite: S (16.17, 1.083, 9.049) [0.7962, 0.0533, 0.4455]\n", + " PeriodicSite: S (16.15, 1.411, 18.79) [0.7949, 0.06948, 0.9248]\n", + " PeriodicSite: S (15.58, 11.3, 8.696) [0.767, 0.5563, 0.4281]\n", + " PeriodicSite: S (16.78, 11.43, 19.13) [0.8261, 0.5625, 0.9418]\n", + " PeriodicSite: S (1.147, 4.118, 1.25) [0.05645, 0.2027, 0.06155]\n", + " PeriodicSite: S (0.8961, 4.059, 11.33) [0.04412, 0.1998, 0.5578]\n", + " PeriodicSite: S (1.372, 14.21, 0.8062) [0.06754, 0.6993, 0.03969]\n", + " PeriodicSite: S (1.004, 14.13, 11.6) [0.04944, 0.6958, 0.5708]\n", + " PeriodicSite: S (10.96, 3.932, 1.734) [0.5394, 0.1936, 0.08535]\n", + " PeriodicSite: S (10.91, 4.095, 11.13) [0.5373, 0.2016, 0.5481]\n", + " PeriodicSite: S (11.95, 13.94, 1.116) [0.5881, 0.6864, 0.05496]\n", + " PeriodicSite: S (11.4, 14.09, 11.77) [0.561, 0.6936, 0.5793]\n", + " PeriodicSite: S (2.462, 2.691, 17.84) [0.1212, 0.1325, 0.878]\n", + " PeriodicSite: S (2.462, 12.63, 7.757) [0.1212, 0.622, 0.3819]\n", + " PeriodicSite: S (12.51, 2.467, 7.676) [0.6161, 0.1215, 0.3779]\n", + " PeriodicSite: S (9.106, 9.349, 3.605) [0.4483, 0.4603, 0.1775]\n", + " PeriodicSite: S (8.769, 8.611, 14.06) [0.4317, 0.4239, 0.6922]\n", + " PeriodicSite: S (9.145, 18.72, 4.041) [0.4502, 0.9214, 0.199]\n", + " PeriodicSite: S (9.361, 18.86, 14.42) [0.4609, 0.9283, 0.7097]\n", + " PeriodicSite: S (19.13, 9.335, 3.558) [0.9416, 0.4596, 0.1752]\n", + " PeriodicSite: S (19.52, 9.085, 13.97) [0.961, 0.4473, 0.6877]\n", + " PeriodicSite: S (18.9, 19.45, 4.041) [0.9307, 0.9575, 0.199]\n", + " PeriodicSite: S (19.35, 18.73, 14.32) [0.9526, 0.9221, 0.7049]\n", + " PeriodicSite: S (3.518, 6.095, 6.245) [0.1732, 0.3001, 0.3075]\n", + " PeriodicSite: S (3.854, 6.143, 16.65) [0.1897, 0.3024, 0.8198]\n", + " PeriodicSite: S (3.663, 16.61, 6.368) [0.1803, 0.8178, 0.3135]\n", + " PeriodicSite: S (3.535, 16.08, 16.78) [0.174, 0.7916, 0.8259]\n", + " PeriodicSite: S (13.86, 6.068, 6.403) [0.6824, 0.2987, 0.3152]\n", + " PeriodicSite: S (13.74, 5.859, 16.31) [0.6765, 0.2884, 0.8029]\n", + " PeriodicSite: S (14.23, 16.81, 6.534) [0.7007, 0.8278, 0.3217]\n", + " PeriodicSite: S (14.62, 16.02, 16.89) [0.7197, 0.7885, 0.8315]\n", + " PeriodicSite: S (6.459, 6.227, 4.299) [0.318, 0.3066, 0.2116]\n", + " PeriodicSite: S (6.382, 6.009, 14.05) [0.3142, 0.2958, 0.6917]\n", + " PeriodicSite: S (6.149, 16.8, 4.24) [0.3027, 0.827, 0.2087]\n", + " PeriodicSite: S (6.228, 16.86, 14.84) [0.3066, 0.8299, 0.7307]\n", + " PeriodicSite: S (16.17, 6.125, 3.9) [0.796, 0.3015, 0.192]\n", + " PeriodicSite: S (16.46, 6.044, 14.27) [0.8102, 0.2976, 0.7025]\n", + " PeriodicSite: S (16.58, 16.51, 4.038) [0.8163, 0.8127, 0.1988]\n", + " PeriodicSite: S (16.88, 15.93, 14.02) [0.8309, 0.7845, 0.69]\n", + " PeriodicSite: S (0.9989, 9.131, 6.137) [0.04918, 0.4495, 0.3021]\n", + " PeriodicSite: S (1.317, 9.163, 16.59) [0.06485, 0.4511, 0.8169]\n", + " PeriodicSite: S (0.9423, 19.13, 6.424) [0.04639, 0.9418, 0.3162]\n", + " PeriodicSite: S (1.425, 19.43, 16.53) [0.07015, 0.9568, 0.8138]\n", + " PeriodicSite: S (11.24, 9.341, 6.056) [0.5533, 0.4599, 0.2981]\n", + " PeriodicSite: S (11.04, 8.783, 16.29) [0.5435, 0.4324, 0.802]\n", + " PeriodicSite: S (11.26, 19.26, 6.304) [0.5542, 0.9482, 0.3104]\n", + " PeriodicSite: S (11.75, 19.74, 16.9) [0.5786, 0.9716, 0.8319]\n", + " PeriodicSite: S (2.739, 17.71, 2.572) [0.1348, 0.872, 0.1266]\n", + " PeriodicSite: S (2.605, 17.76, 13.08) [0.1283, 0.8743, 0.6441]\n", + " PeriodicSite: S (12.55, 7.351, 12.79) [0.6176, 0.3619, 0.6298]\n", + " PeriodicSite: S (13.09, 17.64, 2.651) [0.6447, 0.8683, 0.1305]\n", + " PeriodicSite: S (4.102, 4.206, 3.443) [0.2019, 0.2071, 0.1695]\n", + " PeriodicSite: S (3.689, 3.995, 14.23) [0.1816, 0.1967, 0.7004]\n", + " PeriodicSite: S (3.785, 14.31, 3.761) [0.1863, 0.7047, 0.1852]\n", + " PeriodicSite: S (4.237, 14.18, 14.1) [0.2086, 0.6982, 0.6941]\n", + " PeriodicSite: S (13.82, 3.598, 3.744) [0.6802, 0.1771, 0.1843]\n", + " PeriodicSite: S (14.15, 3.708, 13.69) [0.6968, 0.1825, 0.6741]\n", + " PeriodicSite: S (13.92, 14.31, 4.441) [0.6852, 0.7044, 0.2186]\n", + " PeriodicSite: S (14.11, 13.95, 14.3) [0.6944, 0.6865, 0.704]\n", + " PeriodicSite: S (8.614, 1.134, 6.016) [0.4241, 0.05584, 0.2962]\n", + " PeriodicSite: S (8.914, 1.177, 16.36) [0.4388, 0.05792, 0.8052]\n", + " PeriodicSite: S (8.915, 11.74, 5.945) [0.4389, 0.5779, 0.2927]\n", + " PeriodicSite: S (8.718, 11.36, 16.05) [0.4292, 0.5594, 0.7899]\n", + " PeriodicSite: S (18.6, 1.315, 6.431) [0.9155, 0.06474, 0.3166]\n", + " PeriodicSite: S (18.99, 0.7232, 16.84) [0.9349, 0.03559, 0.8292]\n", + " PeriodicSite: S (19.0, 11.4, 6.367) [0.9352, 0.5611, 0.3135]\n", + " PeriodicSite: S (19.2, 11.44, 16.21) [0.9454, 0.5631, 0.7979]\n", + " PeriodicSite: S (1.341, 1.297, 4.467) [0.066, 0.06385, 0.2199]\n", + " PeriodicSite: S (0.7598, 1.362, 14.29) [0.03741, 0.06705, 0.7036]\n", + " PeriodicSite: S (0.9281, 11.82, 3.954) [0.04569, 0.5818, 0.1947]\n", + " PeriodicSite: S (1.495, 11.31, 13.94) [0.07358, 0.5567, 0.6865]\n", + " PeriodicSite: S (11.13, 1.048, 3.937) [0.5479, 0.05161, 0.1938]\n", + " PeriodicSite: S (11.46, 1.056, 13.92) [0.5644, 0.05199, 0.6854]\n", + " PeriodicSite: S (11.45, 11.77, 3.452) [0.5638, 0.5795, 0.1699]\n", + " PeriodicSite: S (11.35, 11.09, 13.85) [0.5587, 0.5458, 0.6817]\n", + " PeriodicSite: S (6.01, 3.588, 6.092) [0.2959, 0.1766, 0.2999]\n", + " PeriodicSite: S (6.365, 3.835, 16.37) [0.3134, 0.1888, 0.8061]\n", + " PeriodicSite: S (6.247, 14.26, 6.262) [0.3076, 0.7022, 0.3083]\n", + " PeriodicSite: S (6.451, 14.31, 16.68) [0.3176, 0.7043, 0.8212]\n", + " PeriodicSite: S (16.13, 3.813, 6.197) [0.7941, 0.1877, 0.3051]\n", + " PeriodicSite: S (16.22, 3.406, 16.48) [0.7985, 0.1677, 0.8111]\n", + " PeriodicSite: S (16.39, 14.14, 6.547) [0.8067, 0.696, 0.3223]\n", + " PeriodicSite: S (16.89, 13.51, 16.2) [0.8313, 0.6653, 0.7973]\n", + " PeriodicSite: S (7.256, 2.648, 12.72) [0.3572, 0.1304, 0.6264]\n", + " PeriodicSite: S (7.659, 12.95, 2.239) [0.3771, 0.6376, 0.1102]\n", + " PeriodicSite: S (17.76, 2.402, 2.808) [0.8741, 0.1182, 0.1382]\n", + " PeriodicSite: S (17.56, 12.89, 2.689) [0.8643, 0.6344, 0.1324]\n", + " PeriodicSite: S (17.77, 12.66, 12.36) [0.8746, 0.6233, 0.6083]\n", + " PeriodicSite: S (3.81, 8.935, 9.044) [0.1876, 0.4399, 0.4452]\n", + " PeriodicSite: S (3.788, 9.073, 19.39) [0.1865, 0.4467, 0.9546]\n", + " PeriodicSite: S (3.719, 19.2, 8.744) [0.1831, 0.9453, 0.4305]\n", + " PeriodicSite: S (3.914, 19.4, 18.91) [0.1927, 0.9552, 0.9311]\n", + " PeriodicSite: S (13.57, 8.984, 8.94) [0.6681, 0.4423, 0.4401]\n", + " PeriodicSite: S (14.36, 8.983, 18.9) [0.7068, 0.4422, 0.9304]\n", + " PeriodicSite: S (13.75, 19.22, 8.717) [0.6771, 0.9461, 0.4291]\n", + " PeriodicSite: S (14.27, 19.05, 19.0) [0.7028, 0.9378, 0.9352]\n", + " PeriodicSite: S (8.387, 6.09, 1.624) [0.4129, 0.2998, 0.07995]\n", + " PeriodicSite: S (8.696, 6.525, 10.9) [0.4281, 0.3212, 0.5367]\n", + " PeriodicSite: S (9.55, 16.6, 0.8235) [0.4702, 0.8171, 0.04054]\n", + " PeriodicSite: S (9.108, 16.79, 11.49) [0.4484, 0.8263, 0.5658]\n", + " PeriodicSite: S (19.1, 6.319, 1.355) [0.9403, 0.3111, 0.06671]\n", + " PeriodicSite: S (19.18, 6.627, 11.39) [0.9445, 0.3262, 0.561]\n", + " PeriodicSite: S (19.16, 16.6, 1.297) [0.9433, 0.8171, 0.06387]\n", + " PeriodicSite: S (19.04, 16.79, 11.25) [0.9375, 0.8266, 0.5539]\n", + " PeriodicSite: S (0.8956, 6.211, 8.609) [0.04409, 0.3058, 0.4238]\n", + " PeriodicSite: S (1.1, 6.414, 19.21) [0.05413, 0.3158, 0.9455]\n", + " PeriodicSite: S (1.116, 16.3, 9.001) [0.05493, 0.8026, 0.4431]\n", + " PeriodicSite: S (0.9049, 16.75, 19.05) [0.04454, 0.8244, 0.9376]\n", + " PeriodicSite: S (10.94, 6.433, 8.593) [0.5388, 0.3167, 0.423]\n", + " PeriodicSite: S (10.94, 6.426, 19.62) [0.5385, 0.3164, 0.9661]\n", + " PeriodicSite: S (11.45, 16.37, 9.192) [0.5639, 0.8061, 0.4525]\n", + " PeriodicSite: S (11.78, 16.25, 18.64) [0.58, 0.8002, 0.9179]\n", + " PeriodicSite: S (6.118, 9.096, 1.354) [0.3012, 0.4478, 0.06665]\n", + " PeriodicSite: S (6.181, 8.879, 11.55) [0.3043, 0.4371, 0.5686]\n", + " PeriodicSite: S (6.293, 19.09, 1.007) [0.3098, 0.9399, 0.04957]\n", + " PeriodicSite: S (5.989, 18.63, 11.33) [0.2948, 0.9174, 0.5576]\n", + " PeriodicSite: S (16.37, 8.873, 1.263) [0.8061, 0.4368, 0.06217]\n", + " PeriodicSite: S (16.23, 8.778, 11.11) [0.799, 0.4322, 0.547]\n", + " PeriodicSite: S (16.56, 19.2, 1.017) [0.8151, 0.945, 0.05009]\n", + " PeriodicSite: S (15.53, 18.84, 11.4) [0.7645, 0.9273, 0.5611]\n", + " PeriodicSite: S (7.365, 7.649, 17.45) [0.3626, 0.3766, 0.859]\n", + " PeriodicSite: S (7.545, 17.5, 7.989) [0.3715, 0.8616, 0.3933]\n", + " PeriodicSite: S (17.63, 7.665, 7.311) [0.8677, 0.3773, 0.3599]\n", + " PeriodicSite: S (17.93, 17.74, 7.783) [0.8825, 0.8735, 0.3832]\n", + " PeriodicSite: P (5.179, 0.03505, 20.28) [0.255, 0.001725, 0.9982]\n", + " PeriodicSite: P (4.973, 20.11, 10.07) [0.2448, 0.9901, 0.496]\n", + " PeriodicSite: P (5.106, 10.31, 0.04347) [0.2514, 0.5075, 0.002142]\n", + " PeriodicSite: P (5.073, 10.05, 10.12) [0.2497, 0.4948, 0.498]\n", + " PeriodicSite: P (15.31, 0.11, 20.12) [0.7539, 0.00541, 0.9906]\n", + " PeriodicSite: P (14.89, 20.26, 10.14) [0.7332, 0.9973, 0.4991]\n", + " PeriodicSite: P (15.54, 10.08, 20.21) [0.7652, 0.4964, 0.9949]\n", + " PeriodicSite: P (14.9, 9.937, 10.09) [0.7335, 0.4892, 0.4968]\n", + " PeriodicSite: P (4.992, 5.031, 5.08) [0.2458, 0.2477, 0.2501]\n", + " PeriodicSite: P (5.146, 4.895, 15.33) [0.2533, 0.241, 0.7546]\n", + " PeriodicSite: P (4.811, 15.42, 5.125) [0.2369, 0.7594, 0.2523]\n", + " PeriodicSite: P (5.086, 15.35, 15.58) [0.2504, 0.7556, 0.7668]\n", + " PeriodicSite: P (14.86, 4.924, 5.118) [0.7314, 0.2424, 0.252]\n", + " PeriodicSite: P (15.27, 4.65, 15.22) [0.7516, 0.2289, 0.7494]\n", + " PeriodicSite: P (15.38, 15.46, 5.429) [0.7572, 0.7612, 0.2673]\n", + " PeriodicSite: P (15.6, 14.79, 15.4) [0.768, 0.728, 0.758]\n", + " PeriodicSite: P (20.22, 0.1487, 5.366) [0.9957, 0.007314, 0.2642]\n", + " PeriodicSite: P (20.25, 20.27, 15.43) [0.9968, 0.9978, 0.7598]\n", + " PeriodicSite: P (20.17, 10.43, 5.032) [0.9931, 0.5134, 0.2478]\n", + " PeriodicSite: P (0.2832, 10.29, 15.22) [0.01394, 0.5063, 0.7494]\n", + " PeriodicSite: P (9.979, 20.17, 5.112) [0.4913, 0.9928, 0.2517]\n", + " PeriodicSite: P (10.36, 0.09225, 15.37) [0.5099, 0.004538, 0.7568]\n", + " PeriodicSite: P (10.19, 10.64, 4.856) [0.5018, 0.5237, 0.2391]\n", + " PeriodicSite: P (9.898, 10.05, 15.08) [0.4873, 0.495, 0.7426]\n", + " PeriodicSite: P (20.28, 5.184, 0.03277) [0.9986, 0.2552, 0.001619]\n", + " PeriodicSite: P (20.2, 5.225, 10.08) [0.9945, 0.2572, 0.4964]\n", + " PeriodicSite: P (20.17, 15.46, 20.25) [0.9931, 0.761, 0.9968]\n", + " PeriodicSite: P (20.19, 15.34, 10.31) [0.994, 0.7553, 0.5075]\n", + " PeriodicSite: P (9.736, 5.1, 0.5349) [0.4793, 0.2511, 0.02633]\n", + " PeriodicSite: P (9.964, 5.249, 9.824) [0.4906, 0.2584, 0.4836]\n", + " PeriodicSite: P (10.68, 15.15, 20.01) [0.5257, 0.7459, 0.9852]\n", + " PeriodicSite: P (10.34, 15.3, 10.5) [0.5089, 0.7534, 0.5171],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (20.26, 5.703, 3.153) [0.9975, 0.2807, 0.1552]\n", + " PeriodicSite: Li (1.443, 3.332, 15.49) [0.07106, 0.164, 0.7626]\n", + " PeriodicSite: Li (0.1055, 12.38, 7.867) [0.005191, 0.6095, 0.3873]\n", + " PeriodicSite: Li (0.102, 13.76, 17.02) [0.005022, 0.6775, 0.8378]\n", + " PeriodicSite: Li (14.69, 1.094, 7.188) [0.7233, 0.05385, 0.3539]\n", + " PeriodicSite: Li (11.89, 3.46, 15.92) [0.5856, 0.1704, 0.784]\n", + " PeriodicSite: Li (15.99, 12.36, 4.031) [0.787, 0.6086, 0.1984]\n", + " PeriodicSite: Li (17.39, 8.403, 15.49) [0.8563, 0.4137, 0.7626]\n", + " PeriodicSite: Li (4.68, 4.267, 8.111) [0.2304, 0.2101, 0.3993]\n", + " PeriodicSite: Li (2.083, 0.4339, 18.97) [0.1026, 0.02136, 0.9338]\n", + " PeriodicSite: Li (3.027, 7.934, 4.934) [0.149, 0.3906, 0.2429]\n", + " PeriodicSite: Li (7.012, 9.745, 17.41) [0.3452, 0.4798, 0.8573]\n", + " PeriodicSite: Li (11.41, 4.695, 7.174) [0.562, 0.2311, 0.3532]\n", + " PeriodicSite: Li (11.94, 1.652, 0.3535) [0.5878, 0.0813, 0.01741]\n", + " PeriodicSite: Li (11.75, 9.69, 12.36) [0.5783, 0.477, 0.6084]\n", + " PeriodicSite: Li (10.4, 18.45, 18.67) [0.5118, 0.9082, 0.9189]\n", + " PeriodicSite: Li (5.215, 1.399, 6.971) [0.2567, 0.06889, 0.3432]\n", + " PeriodicSite: Li (3.131, 20.01, 13.39) [0.1542, 0.9852, 0.659]\n", + " PeriodicSite: Li (3.458, 10.33, 7.016) [0.1703, 0.5086, 0.3454]\n", + " PeriodicSite: Li (6.94, 10.3, 13.06) [0.3416, 0.5072, 0.6429]\n", + " PeriodicSite: Li (12.24, 0.5518, 8.858) [0.6026, 0.02716, 0.4361]\n", + " PeriodicSite: Li (9.836, 2.02, 18.57) [0.4843, 0.09946, 0.9143]\n", + " PeriodicSite: Li (14.04, 15.03, 8.723) [0.691, 0.7399, 0.4294]\n", + " PeriodicSite: Li (12.02, 10.54, 18.74) [0.5918, 0.5189, 0.9224]\n", + " PeriodicSite: Li (1.158, 4.433, 7.276) [0.05701, 0.2183, 0.3582]\n", + " PeriodicSite: Li (0.178, 2.442, 18.25) [0.008765, 0.1202, 0.8984]\n", + " PeriodicSite: Li (1.806, 14.76, 6.762) [0.08892, 0.7268, 0.3329]\n", + " PeriodicSite: Li (4.259, 14.5, 18.35) [0.2097, 0.7136, 0.9033]\n", + " PeriodicSite: Li (12.27, 2.4, 5.491) [0.6042, 0.1181, 0.2704]\n", + " PeriodicSite: Li (13.56, 0.9523, 16.8) [0.6676, 0.04688, 0.8273]\n", + " PeriodicSite: Li (10.68, 11.71, 8.469) [0.5257, 0.5764, 0.417]\n", + " PeriodicSite: Li (16.77, 17.22, 19.66) [0.8254, 0.8478, 0.9677]\n", + " PeriodicSite: Li (7.496, 0.2433, 4.497) [0.369, 0.01197, 0.2214]\n", + " PeriodicSite: Li (0.311, 18.27, 1.238) [0.0153, 0.8994, 0.06097]\n", + " PeriodicSite: Li (2.801, 14.06, 9.702) [0.1379, 0.6922, 0.4776]\n", + " PeriodicSite: Li (1.564, 17.38, 14.86) [0.07698, 0.8557, 0.7317]\n", + " PeriodicSite: Li (14.31, 4.085, 7.948) [0.7047, 0.2011, 0.3913]\n", + " PeriodicSite: Li (14.86, 3.176, 18.97) [0.7317, 0.1564, 0.9342]\n", + " PeriodicSite: Li (17.65, 15.5, 7.51) [0.8691, 0.763, 0.3697]\n", + " PeriodicSite: Li (10.17, 12.87, 17.45) [0.5006, 0.6338, 0.8592]\n", + " PeriodicSite: Li (5.334, 2.243, 4.261) [0.2626, 0.1104, 0.2098]\n", + " PeriodicSite: Li (2.991, 1.242, 15.83) [0.1472, 0.06115, 0.7793]\n", + " PeriodicSite: Li (3.784, 12.32, 5.376) [0.1863, 0.6066, 0.2647]\n", + " PeriodicSite: Li (18.71, 13.21, 4.745) [0.9213, 0.6503, 0.2336]\n", + " PeriodicSite: Li (9.907, 1.975, 8.329) [0.4877, 0.09721, 0.41]\n", + " PeriodicSite: Li (17.14, 20.17, 16.58) [0.8437, 0.993, 0.8162]\n", + " PeriodicSite: Li (13.39, 11.04, 4.142) [0.659, 0.5433, 0.2039]\n", + " PeriodicSite: Li (15.01, 7.817, 16.29) [0.7391, 0.3848, 0.8019]\n", + " PeriodicSite: Li (3.588, 12.44, 14.9) [0.1766, 0.6125, 0.7334]\n", + " PeriodicSite: Li (2.361, 11.02, 9.765) [0.1163, 0.5426, 0.4808]\n", + " PeriodicSite: Li (0.7797, 15.87, 2.707) [0.03838, 0.7811, 0.1333]\n", + " PeriodicSite: Li (2.051, 0.39, 9.145) [0.101, 0.0192, 0.4502]\n", + " PeriodicSite: Li (12.11, 5.653, 3.417) [0.5961, 0.2783, 0.1682]\n", + " PeriodicSite: Li (12.21, 7.179, 15.08) [0.6009, 0.3534, 0.7423]\n", + " PeriodicSite: Li (11.96, 13.74, 5.722) [0.5886, 0.6764, 0.2817]\n", + " PeriodicSite: Li (12.82, 19.86, 14.44) [0.631, 0.9776, 0.7108]\n", + " PeriodicSite: Li (3.532, 6.036, 1.567) [0.1739, 0.2972, 0.07715]\n", + " PeriodicSite: Li (3.064, 5.381, 10.27) [0.1508, 0.2649, 0.5055]\n", + " PeriodicSite: Li (6.491, 17.13, 19.57) [0.3195, 0.8432, 0.9636]\n", + " PeriodicSite: Li (3.879, 18.73, 16.87) [0.191, 0.9222, 0.8305]\n", + " PeriodicSite: Li (14.6, 6.186, 2.047) [0.7187, 0.3046, 0.1008]\n", + " PeriodicSite: Li (11.01, 5.888, 12.45) [0.5422, 0.2899, 0.613]\n", + " PeriodicSite: Li (13.09, 18.37, 5.244) [0.6447, 0.9045, 0.2582]\n", + " PeriodicSite: Li (10.55, 17.11, 13.12) [0.5196, 0.8423, 0.6457]\n", + " PeriodicSite: Li (3.55, 10.79, 16.79) [0.1747, 0.5311, 0.8268]\n", + " PeriodicSite: Li (4.749, 6.817, 12.18) [0.2338, 0.3356, 0.5994]\n", + " PeriodicSite: Li (4.58, 18.36, 3.535) [0.2255, 0.9041, 0.174]\n", + " PeriodicSite: Li (3.379, 16.95, 10.45) [0.1663, 0.8347, 0.5143]\n", + " PeriodicSite: Li (10.65, 7.672, 1.431) [0.5245, 0.3777, 0.07045]\n", + " PeriodicSite: Li (14.29, 5.777, 12.45) [0.7033, 0.2844, 0.6128]\n", + " PeriodicSite: Li (11.12, 16.51, 2.693) [0.5476, 0.8129, 0.1326]\n", + " PeriodicSite: Li (13.44, 15.36, 12.55) [0.6619, 0.756, 0.6176]\n", + " PeriodicSite: Li (0.01608, 8.469, 1.466) [0.0007881, 0.4169, 0.07217]\n", + " PeriodicSite: Li (17.03, 6.103, 9.879) [0.8385, 0.3004, 0.4864]\n", + " PeriodicSite: Li (1.856, 17.42, 4.896) [0.09138, 0.8576, 0.241]\n", + " PeriodicSite: Li (0.1228, 18.67, 11.75) [0.006039, 0.919, 0.5786]\n", + " PeriodicSite: Li (10.54, 7.483, 5.072) [0.5189, 0.3684, 0.2497]\n", + " PeriodicSite: Li (13.12, 10.63, 15.78) [0.646, 0.5231, 0.7768]\n", + " PeriodicSite: Li (14.34, 16.22, 2.748) [0.7061, 0.7985, 0.1353]\n", + " PeriodicSite: Li (12.73, 14.49, 15.94) [0.6269, 0.7134, 0.7849]\n", + " PeriodicSite: Li (5.581, 8.151, 6.035) [0.2748, 0.4013, 0.2971]\n", + " PeriodicSite: Li (20.06, 12.35, 12.01) [0.9875, 0.6078, 0.591]\n", + " PeriodicSite: Li (19.04, 17.76, 5.538) [0.9375, 0.8741, 0.2726]\n", + " PeriodicSite: Li (4.892, 18.27, 13.6) [0.2408, 0.8993, 0.6698]\n", + " PeriodicSite: Li (17.13, 10.41, 2.717) [0.8433, 0.5124, 0.1338]\n", + " PeriodicSite: Li (12.84, 6.954, 10.37) [0.6322, 0.3423, 0.5104]\n", + " PeriodicSite: Li (13.81, 17.11, 0.1523) [0.6801, 0.8422, 0.007505]\n", + " PeriodicSite: Li (13.46, 17.59, 10.23) [0.6629, 0.866, 0.5039]\n", + " PeriodicSite: Li (2.706, 3.094, 20.18) [0.1332, 0.1523, 0.9933]\n", + " PeriodicSite: Li (3.416, 9.876, 13.48) [0.1682, 0.4862, 0.6635]\n", + " PeriodicSite: Li (2.345, 0.0001667, 2.513) [0.1154, 7.33e-06, 0.1237]\n", + " PeriodicSite: Li (1.846, 15.48, 13.2) [0.09087, 0.7619, 0.6501]\n", + " PeriodicSite: Li (14.79, 9.241, 2.825) [0.7283, 0.455, 0.1391]\n", + " PeriodicSite: Li (14.82, 8.643, 12.88) [0.7294, 0.4255, 0.634]\n", + " PeriodicSite: Li (15.56, 18.87, 3.157) [0.7659, 0.9292, 0.1554]\n", + " PeriodicSite: Li (18.4, 5.204, 13.2) [0.906, 0.2562, 0.6498]\n", + " PeriodicSite: Li (9.957, 2.924, 3.259) [0.4902, 0.1439, 0.1604]\n", + " PeriodicSite: Li (10.1, 1.607, 12.12) [0.4972, 0.07913, 0.5967]\n", + " PeriodicSite: Li (6.797, 10.01, 3.467) [0.3346, 0.493, 0.1707]\n", + " PeriodicSite: Li (6.888, 12.4, 15.24) [0.3391, 0.6103, 0.7504]\n", + " PeriodicSite: Li (18.11, 3.69, 4.446) [0.8914, 0.1817, 0.2189]\n", + " PeriodicSite: Li (12.48, 3.641, 9.831) [0.6144, 0.1793, 0.484]\n", + " PeriodicSite: Li (19.69, 12.03, 1.975) [0.9696, 0.5922, 0.09723]\n", + " PeriodicSite: Li (17.48, 10.58, 13.74) [0.8604, 0.521, 0.6763]\n", + " PeriodicSite: Li (6.042, 18.38, 5.978) [0.2974, 0.9051, 0.2943]\n", + " PeriodicSite: Li (8.637, 3.457, 14.35) [0.4252, 0.1702, 0.7067]\n", + " PeriodicSite: Li (6.806, 13.46, 20.07) [0.3351, 0.6627, 0.9878]\n", + " PeriodicSite: Li (9.917, 13.62, 13.51) [0.4882, 0.6708, 0.6653]\n", + " PeriodicSite: Li (13.28, 0.1912, 3.157) [0.6537, 0.009407, 0.1554]\n", + " PeriodicSite: Li (19.39, 2.288, 10.82) [0.9546, 0.1126, 0.5326]\n", + " PeriodicSite: Li (17.25, 15.07, 1.83) [0.8491, 0.742, 0.09012]\n", + " PeriodicSite: Li (17.04, 14.69, 11.98) [0.839, 0.7234, 0.5897]\n", + " PeriodicSite: Li (7.789, 5.633, 6.757) [0.3835, 0.2773, 0.3326]\n", + " PeriodicSite: Li (7.511, 0.05268, 13.03) [0.3698, 0.002591, 0.6416]\n", + " PeriodicSite: Li (10.08, 12.53, 1.467) [0.4963, 0.617, 0.07224]\n", + " PeriodicSite: Li (5.235, 13.48, 12.08) [0.2577, 0.6636, 0.5946]\n", + " PeriodicSite: Li (20.06, 2.328, 2.21) [0.9878, 0.1146, 0.1088]\n", + " PeriodicSite: Li (0.4418, 8.492, 11.89) [0.02175, 0.4181, 0.5855]\n", + " PeriodicSite: Li (15.85, 12.8, 1.206) [0.7803, 0.6302, 0.05937]\n", + " PeriodicSite: Li (15.53, 11.91, 12.98) [0.7647, 0.5864, 0.6389]\n", + " PeriodicSite: Li (2.92, 0.6382, 5.799) [0.1438, 0.03142, 0.2855]\n", + " PeriodicSite: Li (5.908, 1.9, 14.55) [0.2909, 0.09353, 0.7163]\n", + " PeriodicSite: Li (5.191, 13.18, 2.006) [0.2555, 0.649, 0.09875]\n", + " PeriodicSite: Li (8.356, 6.878, 15.7) [0.4114, 0.3386, 0.7731]\n", + " PeriodicSite: Li (17.32, 5.001, 1.774) [0.8527, 0.2462, 0.08734]\n", + " PeriodicSite: Li (15.63, 18.44, 13.67) [0.7695, 0.9076, 0.6732]\n", + " PeriodicSite: Li (13.17, 14.4, 19.5) [0.6486, 0.7089, 0.9601]\n", + " PeriodicSite: Li (17.11, 13.0, 10.25) [0.8421, 0.6398, 0.5048]\n", + " PeriodicSite: Li (6.295, 2.937, 0.3608) [0.3099, 0.1446, 0.01776]\n", + " PeriodicSite: Li (5.119, 3.093, 12.01) [0.252, 0.1523, 0.5914]\n", + " PeriodicSite: Li (7.683, 10.8, 0.7501) [0.3782, 0.5318, 0.03693]\n", + " PeriodicSite: Li (8.274, 11.76, 10.62) [0.4073, 0.5789, 0.5226]\n", + " PeriodicSite: Li (15.41, 2.009, 3.23) [0.7585, 0.09888, 0.159]\n", + " PeriodicSite: Li (15.84, 3.072, 10.52) [0.7796, 0.1512, 0.5181]\n", + " PeriodicSite: Li (2.258, 12.35, 20.16) [0.1111, 0.6079, 0.9925]\n", + " PeriodicSite: Li (18.49, 13.48, 14.45) [0.9101, 0.6637, 0.7112]\n", + " PeriodicSite: Li (8.135, 0.2004, 1.389) [0.4005, 0.009861, 0.06837]\n", + " PeriodicSite: Li (7.411, 2.773, 10.34) [0.3649, 0.1365, 0.5091]\n", + " PeriodicSite: Li (8.16, 13.19, 4.211) [0.4017, 0.6492, 0.2073]\n", + " PeriodicSite: Li (4.874, 16.32, 12.37) [0.24, 0.8034, 0.6088]\n", + " PeriodicSite: Li (17.0, 3.033, 0.2509) [0.8367, 0.1493, 0.01236]\n", + " PeriodicSite: Li (1.73, 7.511, 15.33) [0.08517, 0.3698, 0.7549]\n", + " PeriodicSite: Li (4.895, 13.55, 8.37) [0.241, 0.6672, 0.4121]\n", + " PeriodicSite: Li (13.6, 13.12, 10.53) [0.6698, 0.6461, 0.5183]\n", + " PeriodicSite: Li (13.91, 10.44, 7.198) [0.6849, 0.5139, 0.3543]\n", + " PeriodicSite: Li (5.432, 8.354, 15.92) [0.2674, 0.4113, 0.7835]\n", + " PeriodicSite: Li (7.141, 16.03, 10.07) [0.3516, 0.7894, 0.4957]\n", + " PeriodicSite: Li (4.196, 17.33, 0.4388) [0.2066, 0.8534, 0.02161]\n", + " PeriodicSite: Li (17.03, 9.965, 6.75) [0.8383, 0.4906, 0.3323]\n", + " PeriodicSite: Li (3.048, 4.993, 18.35) [0.1501, 0.2458, 0.9034]\n", + " PeriodicSite: Li (17.41, 0.7519, 4.588) [0.8569, 0.03701, 0.2259]\n", + " PeriodicSite: Li (20.07, 18.51, 18.31) [0.9879, 0.9112, 0.9014]\n", + " PeriodicSite: Li (6.464, 10.66, 6.632) [0.3182, 0.5249, 0.3265]\n", + " PeriodicSite: Li (6.898, 5.899, 19.69) [0.3396, 0.2904, 0.9692]\n", + " PeriodicSite: Li (8.226, 19.99, 8.215) [0.405, 0.984, 0.4044]\n", + " PeriodicSite: Li (8.884, 16.24, 16.07) [0.4374, 0.7997, 0.7914]\n", + " PeriodicSite: Li (18.29, 8.97, 9.445) [0.9007, 0.4416, 0.465]\n", + " PeriodicSite: Li (16.71, 6.977, 19.7) [0.8226, 0.3435, 0.97]\n", + " PeriodicSite: Li (18.21, 0.1912, 8.017) [0.8966, 0.009406, 0.3947]\n", + " PeriodicSite: Li (18.57, 16.8, 15.17) [0.9141, 0.8272, 0.7466]\n", + " PeriodicSite: Li (5.783, 6.622, 9.109) [0.2847, 0.326, 0.4484]\n", + " PeriodicSite: Li (4.702, 3.073, 17.97) [0.2315, 0.1513, 0.8849]\n", + " PeriodicSite: Li (9.051, 17.95, 9.706) [0.4456, 0.8839, 0.4778]\n", + " PeriodicSite: Li (16.09, 11.21, 17.03) [0.7924, 0.552, 0.8386]\n", + " PeriodicSite: Li (19.94, 7.331, 6.785) [0.9817, 0.3609, 0.334]\n", + " PeriodicSite: Li (18.15, 5.012, 17.19) [0.8937, 0.2467, 0.8463]\n", + " PeriodicSite: Li (16.91, 16.96, 9.671) [0.8323, 0.8352, 0.4761]\n", + " PeriodicSite: Li (16.85, 14.35, 18.62) [0.8295, 0.7066, 0.9168]\n", + " PeriodicSite: Li (8.502, 8.36, 9.658) [0.4186, 0.4115, 0.4755]\n", + " PeriodicSite: Li (6.698, 5.103, 2.439) [0.3297, 0.2512, 0.1201]\n", + " PeriodicSite: Li (5.085, 16.75, 8.318) [0.2503, 0.8248, 0.4095]\n", + " PeriodicSite: Li (7.49, 15.12, 1.901) [0.3687, 0.7445, 0.09358]\n", + " PeriodicSite: Li (15.22, 7.087, 7.993) [0.7491, 0.3489, 0.3935]\n", + " PeriodicSite: Li (20.28, 7.057, 17.3) [0.9985, 0.3474, 0.8515]\n", + " PeriodicSite: Li (15.91, 18.67, 6.433) [0.7834, 0.919, 0.3167]\n", + " PeriodicSite: Li (15.34, 18.25, 17.1) [0.7551, 0.8983, 0.8417]\n", + " PeriodicSite: Li (6.896, 5.09, 12.35) [0.3395, 0.2506, 0.6078]\n", + " PeriodicSite: Li (4.917, 7.106, 18.62) [0.2421, 0.3499, 0.9168]\n", + " PeriodicSite: Li (8.866, 17.25, 5.948) [0.4365, 0.8491, 0.2928]\n", + " PeriodicSite: Li (11.12, 19.17, 1.847) [0.5473, 0.9438, 0.09092]\n", + " PeriodicSite: Li (16.88, 8.053, 4.849) [0.8312, 0.3964, 0.2387]\n", + " PeriodicSite: Li (13.35, 5.604, 19.16) [0.6574, 0.2759, 0.9433]\n", + " PeriodicSite: Li (19.77, 18.1, 8.7) [0.9734, 0.8912, 0.4283]\n", + " PeriodicSite: Li (18.21, 0.4896, 1.335) [0.8967, 0.02409, 0.06575]\n", + " PeriodicSite: Li (4.099, 9.433, 2.709) [0.2018, 0.4644, 0.1333]\n", + " PeriodicSite: Li (9.222, 8.111, 18.74) [0.454, 0.3993, 0.9227]\n", + " PeriodicSite: Li (8.116, 14.71, 7.403) [0.3996, 0.7244, 0.3645]\n", + " PeriodicSite: Li (7.045, 19.46, 16.2) [0.3468, 0.9579, 0.7974]\n", + " PeriodicSite: Li (17.81, 5.116, 6.995) [0.8767, 0.2518, 0.3444]\n", + " PeriodicSite: Li (18.67, 10.32, 18.81) [0.919, 0.5083, 0.9259]\n", + " PeriodicSite: Li (3.356, 15.92, 1.98) [0.1652, 0.7837, 0.09747]\n", + " PeriodicSite: Li (15.69, 1.971, 13.99) [0.7726, 0.09701, 0.6886]\n", + " PeriodicSite: Cl (7.341, 12.81, 12.83) [0.3614, 0.6307, 0.6316]\n", + " PeriodicSite: Cl (2.704, 12.79, 17.6) [0.1331, 0.6298, 0.8664]\n", + " PeriodicSite: Cl (12.88, 17.62, 12.59) [0.6339, 0.8676, 0.6198]\n", + " PeriodicSite: Cl (17.75, 7.511, 17.76) [0.874, 0.3698, 0.8743]\n", + " PeriodicSite: Cl (7.567, 2.135, 2.676) [0.3725, 0.1051, 0.1318]\n", + " PeriodicSite: Cl (7.252, 7.771, 7.589) [0.357, 0.3826, 0.3736]\n", + " PeriodicSite: Cl (12.46, 13.26, 7.871) [0.6136, 0.6528, 0.3875]\n", + " PeriodicSite: Cl (2.155, 7.568, 2.735) [0.1061, 0.3726, 0.1347]\n", + " PeriodicSite: Cl (2.513, 7.71, 12.94) [0.1237, 0.3796, 0.6369]\n", + " PeriodicSite: Cl (12.58, 12.5, 17.56) [0.6194, 0.6156, 0.8646]\n", + " PeriodicSite: Cl (17.9, 17.95, 17.54) [0.8815, 0.8838, 0.8637]\n", + " PeriodicSite: Cl (2.92, 2.466, 7.987) [0.1437, 0.1214, 0.3932]\n", + " PeriodicSite: Cl (12.34, 2.667, 17.97) [0.6073, 0.1313, 0.8848]\n", + " PeriodicSite: Cl (12.71, 7.389, 2.428) [0.6256, 0.3638, 0.1195]\n", + " PeriodicSite: Cl (17.31, 2.939, 12.26) [0.8522, 0.1447, 0.6034]\n", + " PeriodicSite: Cl (8.165, 17.91, 17.95) [0.402, 0.8816, 0.8839]\n", + " PeriodicSite: Cl (0.02535, 0.3466, 0.3506) [0.001248, 0.01706, 0.01726]\n", + " PeriodicSite: Cl (20.29, 20.25, 9.978) [0.9989, 0.9971, 0.4912]\n", + " PeriodicSite: Cl (20.2, 10.47, 0.2995) [0.9944, 0.5152, 0.01475]\n", + " PeriodicSite: Cl (0.112, 10.71, 10.37) [0.005513, 0.5274, 0.5105]\n", + " PeriodicSite: Cl (10.44, 0.08052, 0.1286) [0.5139, 0.003959, 0.006335]\n", + " PeriodicSite: Cl (9.934, 0.2762, 9.867) [0.4891, 0.01359, 0.4858]\n", + " PeriodicSite: Cl (10.07, 9.987, 20.29) [0.4957, 0.4917, 0.999]\n", + " PeriodicSite: Cl (10.02, 10.39, 10.41) [0.4935, 0.5113, 0.5127]\n", + " PeriodicSite: Cl (20.15, 4.839, 5.613) [0.9918, 0.2382, 0.2763]\n", + " PeriodicSite: Cl (19.97, 5.476, 15.33) [0.9831, 0.2696, 0.7548]\n", + " PeriodicSite: Cl (20.25, 15.57, 5.034) [0.9971, 0.7664, 0.2478]\n", + " PeriodicSite: Cl (20.28, 15.41, 14.97) [0.9984, 0.7586, 0.7368]\n", + " PeriodicSite: Cl (10.39, 4.895, 5.016) [0.5115, 0.241, 0.247]\n", + " PeriodicSite: Cl (10.34, 5.101, 15.03) [0.509, 0.2511, 0.7402]\n", + " PeriodicSite: Cl (9.716, 15.06, 5.166) [0.4783, 0.7416, 0.2543]\n", + " PeriodicSite: Cl (10.55, 14.87, 15.42) [0.5194, 0.732, 0.7592]\n", + " PeriodicSite: S (4.893, 20.24, 5.005) [0.2409, 0.9965, 0.2464]\n", + " PeriodicSite: S (4.903, 20.18, 15.14) [0.2414, 0.9933, 0.7454]\n", + " PeriodicSite: S (4.864, 10.21, 5.107) [0.2395, 0.5027, 0.2514]\n", + " PeriodicSite: S (5.207, 10.49, 14.99) [0.2563, 0.5165, 0.738]\n", + " PeriodicSite: S (15.01, 0.3009, 4.929) [0.7391, 0.01481, 0.2427]\n", + " PeriodicSite: S (14.94, 19.88, 15.35) [0.7354, 0.9785, 0.7557]\n", + " PeriodicSite: S (15.49, 10.21, 4.763) [0.7624, 0.5027, 0.2345]\n", + " PeriodicSite: S (15.44, 9.777, 14.96) [0.76, 0.4813, 0.7367]\n", + " PeriodicSite: S (4.793, 4.877, 20.06) [0.236, 0.2401, 0.9878]\n", + " PeriodicSite: S (5.179, 4.859, 10.55) [0.255, 0.2392, 0.5195]\n", + " PeriodicSite: S (5.448, 15.22, 0.4707) [0.2682, 0.7492, 0.02317]\n", + " PeriodicSite: S (4.921, 15.02, 10.27) [0.2423, 0.7396, 0.5055]\n", + " PeriodicSite: S (15.46, 5.076, 0.002767) [0.7609, 0.2499, 0.0001408]\n", + " PeriodicSite: S (14.65, 5.072, 9.894) [0.7211, 0.2497, 0.4871]\n", + " PeriodicSite: S (15.38, 15.34, 0.02667) [0.757, 0.7552, 0.001319]\n", + " PeriodicSite: S (15.35, 14.94, 10.46) [0.7558, 0.7357, 0.5149]\n", + " PeriodicSite: S (8.458, 3.967, 8.594) [0.4164, 0.1953, 0.4231]\n", + " PeriodicSite: S (8.664, 3.657, 19.36) [0.4265, 0.18, 0.9529]\n", + " PeriodicSite: S (9.113, 13.71, 9.618) [0.4487, 0.6748, 0.4735]\n", + " PeriodicSite: S (9.235, 14.08, 19.08) [0.4546, 0.6934, 0.9395]\n", + " PeriodicSite: S (18.7, 4.216, 9.095) [0.9206, 0.2076, 0.4478]\n", + " PeriodicSite: S (19.07, 3.884, 19.31) [0.9389, 0.1912, 0.9508]\n", + " PeriodicSite: S (19.02, 14.09, 8.839) [0.9365, 0.6939, 0.4352]\n", + " PeriodicSite: S (19.35, 14.56, 18.86) [0.9525, 0.7167, 0.9285]\n", + " PeriodicSite: S (3.985, 1.314, 1.128) [0.1962, 0.06469, 0.05555]\n", + " PeriodicSite: S (3.815, 0.9867, 11.16) [0.1878, 0.04857, 0.5494]\n", + " PeriodicSite: S (3.766, 11.27, 1.141) [0.1854, 0.5549, 0.05619]\n", + " PeriodicSite: S (4.051, 11.36, 11.36) [0.1994, 0.5592, 0.5594]\n", + " PeriodicSite: S (14.13, 1.39, 1.187) [0.6955, 0.06842, 0.05842]\n", + " PeriodicSite: S (13.57, 0.7474, 11.48) [0.6679, 0.03679, 0.5654]\n", + " PeriodicSite: S (13.96, 11.14, 1.026) [0.6871, 0.5482, 0.05053]\n", + " PeriodicSite: S (14.11, 11.07, 11.4) [0.6945, 0.5451, 0.561]\n", + " PeriodicSite: S (6.399, 0.8907, 9.181) [0.315, 0.04385, 0.452]\n", + " PeriodicSite: S (6.478, 1.061, 19.07) [0.3189, 0.05221, 0.9389]\n", + " PeriodicSite: S (6.464, 11.65, 8.917) [0.3182, 0.5734, 0.439]\n", + " PeriodicSite: S (6.177, 11.25, 19.21) [0.3041, 0.5538, 0.9459]\n", + " PeriodicSite: S (16.35, 1.029, 9.172) [0.8049, 0.05067, 0.4515]\n", + " PeriodicSite: S (16.46, 1.227, 18.95) [0.8103, 0.06042, 0.933]\n", + " PeriodicSite: S (16.13, 11.08, 8.694) [0.7939, 0.5454, 0.428]\n", + " PeriodicSite: S (16.47, 11.21, 19.3) [0.8106, 0.5518, 0.9501]\n", + " PeriodicSite: S (1.06, 4.215, 1.297) [0.05221, 0.2075, 0.06387]\n", + " PeriodicSite: S (0.9161, 4.027, 11.32) [0.0451, 0.1983, 0.5571]\n", + " PeriodicSite: S (1.27, 14.33, 0.9006) [0.06252, 0.7052, 0.04434]\n", + " PeriodicSite: S (0.8676, 14.08, 11.37) [0.04271, 0.6933, 0.5597]\n", + " PeriodicSite: S (11.2, 3.796, 1.329) [0.5514, 0.1869, 0.06544]\n", + " PeriodicSite: S (10.59, 4.036, 11.15) [0.5213, 0.1987, 0.5487]\n", + " PeriodicSite: S (11.52, 14.35, 1.315) [0.5674, 0.7065, 0.06473]\n", + " PeriodicSite: S (11.56, 13.97, 11.71) [0.569, 0.6878, 0.5764]\n", + " PeriodicSite: S (2.431, 2.694, 17.68) [0.1197, 0.1326, 0.8702]\n", + " PeriodicSite: S (2.666, 12.86, 7.725) [0.1312, 0.6329, 0.3803]\n", + " PeriodicSite: S (12.35, 2.723, 7.7) [0.6081, 0.1341, 0.3791]\n", + " PeriodicSite: S (9.344, 9.124, 3.456) [0.46, 0.4492, 0.1702]\n", + " PeriodicSite: S (9.151, 8.728, 14.09) [0.4505, 0.4297, 0.6937]\n", + " PeriodicSite: S (9.287, 19.02, 3.98) [0.4572, 0.9362, 0.1959]\n", + " PeriodicSite: S (9.262, 18.99, 14.17) [0.456, 0.9347, 0.6975]\n", + " PeriodicSite: S (19.4, 9.006, 3.933) [0.955, 0.4434, 0.1937]\n", + " PeriodicSite: S (19.32, 8.905, 13.95) [0.9512, 0.4384, 0.6867]\n", + " PeriodicSite: S (19.24, 19.36, 3.746) [0.9474, 0.9533, 0.1844]\n", + " PeriodicSite: S (19.39, 19.13, 14.15) [0.9546, 0.9418, 0.6965]\n", + " PeriodicSite: S (3.983, 5.968, 6.416) [0.1961, 0.2938, 0.3159]\n", + " PeriodicSite: S (3.854, 6.428, 16.38) [0.1897, 0.3164, 0.8066]\n", + " PeriodicSite: S (3.81, 16.51, 6.283) [0.1876, 0.8127, 0.3093]\n", + " PeriodicSite: S (3.876, 16.49, 17.1) [0.1908, 0.812, 0.8419]\n", + " PeriodicSite: S (13.8, 6.341, 6.139) [0.6794, 0.3122, 0.3022]\n", + " PeriodicSite: S (13.78, 5.652, 16.64) [0.6784, 0.2783, 0.8192]\n", + " PeriodicSite: S (14.34, 16.36, 6.45) [0.7059, 0.8053, 0.3176]\n", + " PeriodicSite: S (14.41, 16.1, 16.29) [0.7096, 0.7926, 0.8018]\n", + " PeriodicSite: S (6.595, 6.42, 4.674) [0.3247, 0.3161, 0.2301]\n", + " PeriodicSite: S (6.231, 6.402, 14.02) [0.3068, 0.3152, 0.6902]\n", + " PeriodicSite: S (6.311, 16.57, 4.049) [0.3107, 0.8158, 0.1994]\n", + " PeriodicSite: S (6.216, 16.68, 14.56) [0.306, 0.8213, 0.7168]\n", + " PeriodicSite: S (16.42, 5.883, 3.98) [0.8082, 0.2896, 0.1959]\n", + " PeriodicSite: S (16.28, 6.189, 14.39) [0.8013, 0.3047, 0.7085]\n", + " PeriodicSite: S (16.4, 16.48, 3.823) [0.8073, 0.8113, 0.1882]\n", + " PeriodicSite: S (16.62, 16.11, 13.79) [0.8182, 0.7933, 0.679]\n", + " PeriodicSite: S (1.144, 9.186, 6.427) [0.0563, 0.4522, 0.3164]\n", + " PeriodicSite: S (0.8655, 9.048, 16.69) [0.04261, 0.4454, 0.8215]\n", + " PeriodicSite: S (0.8325, 19.4, 6.626) [0.04098, 0.9551, 0.3262]\n", + " PeriodicSite: S (1.429, 19.16, 16.62) [0.07033, 0.9431, 0.8181]\n", + " PeriodicSite: S (11.69, 9.394, 5.799) [0.5756, 0.4625, 0.2855]\n", + " PeriodicSite: S (11.33, 9.054, 16.7) [0.5577, 0.4457, 0.822]\n", + " PeriodicSite: S (11.45, 19.4, 6.492) [0.5638, 0.9552, 0.3196]\n", + " PeriodicSite: S (11.6, 19.63, 16.46) [0.5712, 0.9666, 0.8103]\n", + " PeriodicSite: S (2.389, 17.87, 2.705) [0.1176, 0.8797, 0.1331]\n", + " PeriodicSite: S (2.64, 17.65, 12.75) [0.13, 0.8688, 0.6279]\n", + " PeriodicSite: S (12.78, 7.447, 12.65) [0.629, 0.3666, 0.6226]\n", + " PeriodicSite: S (12.91, 18.09, 2.656) [0.6356, 0.8903, 0.1308]\n", + " PeriodicSite: S (4.476, 4.15, 3.486) [0.2203, 0.2043, 0.1716]\n", + " PeriodicSite: S (3.914, 3.865, 13.97) [0.1927, 0.1903, 0.6877]\n", + " PeriodicSite: S (4.103, 14.15, 3.866) [0.202, 0.6966, 0.1903]\n", + " PeriodicSite: S (3.802, 14.44, 14.15) [0.1872, 0.711, 0.6968]\n", + " PeriodicSite: S (13.86, 3.757, 3.847) [0.6822, 0.1849, 0.1894]\n", + " PeriodicSite: S (13.96, 3.688, 14.04) [0.6875, 0.1816, 0.6914]\n", + " PeriodicSite: S (13.96, 13.99, 4.049) [0.6875, 0.6889, 0.1993]\n", + " PeriodicSite: S (14.04, 13.58, 14.06) [0.6914, 0.6684, 0.6923]\n", + " PeriodicSite: S (8.955, 1.046, 6.327) [0.4409, 0.05149, 0.3115]\n", + " PeriodicSite: S (8.666, 1.114, 16.67) [0.4267, 0.05486, 0.8206]\n", + " PeriodicSite: S (8.861, 11.27, 6.045) [0.4362, 0.5548, 0.2976]\n", + " PeriodicSite: S (8.782, 11.06, 16.62) [0.4323, 0.5447, 0.8184]\n", + " PeriodicSite: S (19.01, 1.531, 6.154) [0.9361, 0.07535, 0.303]\n", + " PeriodicSite: S (19.38, 1.203, 16.56) [0.9541, 0.05923, 0.8152]\n", + " PeriodicSite: S (18.87, 11.45, 6.343) [0.929, 0.5635, 0.3123]\n", + " PeriodicSite: S (19.16, 11.65, 16.11) [0.9433, 0.5737, 0.7929]\n", + " PeriodicSite: S (1.062, 1.455, 3.922) [0.05228, 0.07163, 0.1931]\n", + " PeriodicSite: S (1.315, 1.2, 14.0) [0.06472, 0.05906, 0.6892]\n", + " PeriodicSite: S (1.199, 11.78, 4.184) [0.05903, 0.5801, 0.206]\n", + " PeriodicSite: S (1.444, 11.14, 14.24) [0.07111, 0.5487, 0.7011]\n", + " PeriodicSite: S (11.4, 1.057, 3.875) [0.5611, 0.05205, 0.1908]\n", + " PeriodicSite: S (11.05, 1.686, 14.29) [0.5439, 0.083, 0.7037]\n", + " PeriodicSite: S (11.18, 12.19, 3.828) [0.5504, 0.6001, 0.1885]\n", + " PeriodicSite: S (11.28, 11.18, 14.23) [0.5553, 0.5502, 0.7006]\n", + " PeriodicSite: S (6.464, 3.507, 6.132) [0.3182, 0.1726, 0.3019]\n", + " PeriodicSite: S (6.323, 3.832, 16.2) [0.3113, 0.1887, 0.7977]\n", + " PeriodicSite: S (6.128, 14.03, 6.493) [0.3017, 0.6909, 0.3197]\n", + " PeriodicSite: S (5.94, 14.04, 16.76) [0.2924, 0.6914, 0.8249]\n", + " PeriodicSite: S (16.02, 3.569, 6.295) [0.7887, 0.1757, 0.3099]\n", + " PeriodicSite: S (16.31, 3.302, 16.33) [0.8032, 0.1625, 0.8039]\n", + " PeriodicSite: S (16.66, 13.96, 5.941) [0.8201, 0.6873, 0.2925]\n", + " PeriodicSite: S (16.75, 13.67, 16.21) [0.8244, 0.673, 0.7979]\n", + " PeriodicSite: S (7.422, 2.5, 12.65) [0.3654, 0.1231, 0.6226]\n", + " PeriodicSite: S (7.663, 12.68, 2.041) [0.3772, 0.624, 0.1005]\n", + " PeriodicSite: S (17.76, 2.558, 2.294) [0.8743, 0.1259, 0.1129]\n", + " PeriodicSite: S (17.79, 12.67, 2.722) [0.8757, 0.6237, 0.134]\n", + " PeriodicSite: S (17.72, 12.56, 12.51) [0.8721, 0.6183, 0.6158]\n", + " PeriodicSite: S (4.132, 9.248, 8.956) [0.2034, 0.4553, 0.4409]\n", + " PeriodicSite: S (3.749, 9.069, 18.94) [0.1846, 0.4465, 0.9326]\n", + " PeriodicSite: S (3.925, 18.78, 8.787) [0.1932, 0.9247, 0.4326]\n", + " PeriodicSite: S (3.825, 19.23, 19.1) [0.1883, 0.9468, 0.9403]\n", + " PeriodicSite: S (13.76, 9.011, 8.957) [0.6773, 0.4436, 0.4409]\n", + " PeriodicSite: S (13.93, 8.895, 18.76) [0.6859, 0.4379, 0.9237]\n", + " PeriodicSite: S (13.8, 19.35, 8.594) [0.6794, 0.9527, 0.4231]\n", + " PeriodicSite: S (14.03, 19.32, 19.01) [0.6905, 0.9512, 0.9361]\n", + " PeriodicSite: S (8.672, 6.01, 1.532) [0.4269, 0.2959, 0.07542]\n", + " PeriodicSite: S (8.363, 6.417, 10.97) [0.4117, 0.3159, 0.5402]\n", + " PeriodicSite: S (9.275, 16.85, 0.8848) [0.4566, 0.8295, 0.04356]\n", + " PeriodicSite: S (9.082, 16.15, 11.55) [0.4471, 0.7949, 0.5686]\n", + " PeriodicSite: S (19.0, 6.396, 1.24) [0.9352, 0.3149, 0.06106]\n", + " PeriodicSite: S (19.09, 6.68, 11.12) [0.9399, 0.3289, 0.5473]\n", + " PeriodicSite: S (19.18, 16.58, 1.255) [0.9441, 0.8164, 0.06179]\n", + " PeriodicSite: S (18.97, 16.52, 11.02) [0.9341, 0.8135, 0.5424]\n", + " PeriodicSite: S (1.257, 6.185, 8.755) [0.06189, 0.3045, 0.431]\n", + " PeriodicSite: S (1.105, 6.614, 19.44) [0.05438, 0.3256, 0.9569]\n", + " PeriodicSite: S (1.271, 16.38, 9.048) [0.06256, 0.8063, 0.4454]\n", + " PeriodicSite: S (1.309, 17.14, 19.46) [0.06446, 0.844, 0.9578]\n", + " PeriodicSite: S (10.85, 6.456, 8.857) [0.534, 0.3178, 0.436]\n", + " PeriodicSite: S (10.97, 6.384, 19.69) [0.5403, 0.3143, 0.9693]\n", + " PeriodicSite: S (11.45, 16.35, 9.132) [0.5638, 0.805, 0.4496]\n", + " PeriodicSite: S (11.84, 16.33, 19.08) [0.583, 0.8039, 0.9395]\n", + " PeriodicSite: S (5.995, 8.817, 1.136) [0.2952, 0.4341, 0.05591]\n", + " PeriodicSite: S (6.672, 9.106, 11.11) [0.3285, 0.4483, 0.547]\n", + " PeriodicSite: S (6.091, 18.92, 1.145) [0.2998, 0.9316, 0.05637]\n", + " PeriodicSite: S (6.097, 18.82, 11.46) [0.3002, 0.9265, 0.5643]\n", + " PeriodicSite: S (16.14, 8.678, 1.045) [0.7948, 0.4272, 0.05147]\n", + " PeriodicSite: S (16.58, 8.756, 11.08) [0.8161, 0.4311, 0.5454]\n", + " PeriodicSite: S (16.49, 19.17, 1.02) [0.812, 0.9436, 0.05023]\n", + " PeriodicSite: S (16.14, 18.71, 11.11) [0.7944, 0.9209, 0.5469]\n", + " PeriodicSite: S (7.148, 7.546, 17.9) [0.3519, 0.3715, 0.881]\n", + " PeriodicSite: S (7.563, 17.43, 7.845) [0.3723, 0.8583, 0.3862]\n", + " PeriodicSite: S (17.48, 7.295, 7.324) [0.8605, 0.3591, 0.3606]\n", + " PeriodicSite: S (17.73, 18.04, 7.639) [0.8731, 0.8882, 0.3761]\n", + " PeriodicSite: P (5.131, 0.08927, 20.31) [0.2526, 0.004394, 0.9997]\n", + " PeriodicSite: P (5.047, 19.95, 10.22) [0.2485, 0.982, 0.5032]\n", + " PeriodicSite: P (4.952, 10.06, 20.22) [0.2438, 0.4955, 0.9955]\n", + " PeriodicSite: P (5.373, 10.38, 10.1) [0.2645, 0.511, 0.4972]\n", + " PeriodicSite: P (15.31, 0.116, 20.18) [0.7535, 0.005708, 0.9937]\n", + " PeriodicSite: P (14.93, 20.09, 10.28) [0.7351, 0.9891, 0.5063]\n", + " PeriodicSite: P (15.09, 10.01, 20.13) [0.7427, 0.4929, 0.9908]\n", + " PeriodicSite: P (15.23, 9.995, 10.06) [0.7496, 0.4921, 0.4951]\n", + " PeriodicSite: P (5.27, 5.023, 5.197) [0.2595, 0.2473, 0.2559]\n", + " PeriodicSite: P (5.018, 5.16, 15.26) [0.247, 0.254, 0.7511]\n", + " PeriodicSite: P (5.252, 15.37, 5.225) [0.2586, 0.7565, 0.2572]\n", + " PeriodicSite: P (4.94, 15.45, 15.67) [0.2432, 0.7606, 0.7713]\n", + " PeriodicSite: P (14.95, 4.911, 5.066) [0.736, 0.2418, 0.2494]\n", + " PeriodicSite: P (15.14, 4.706, 15.37) [0.7454, 0.2317, 0.7568]\n", + " PeriodicSite: P (15.31, 15.2, 5.127) [0.7538, 0.7485, 0.2524]\n", + " PeriodicSite: P (15.43, 14.9, 15.02) [0.7597, 0.7336, 0.7396]\n", + " PeriodicSite: P (20.11, 0.2705, 5.16) [0.9902, 0.01331, 0.254]\n", + " PeriodicSite: P (0.2168, 0.05161, 15.28) [0.01068, 0.002542, 0.7521]\n", + " PeriodicSite: P (20.31, 10.36, 5.172) [1.0, 0.5101, 0.2547]\n", + " PeriodicSite: P (0.003703, 10.19, 15.25) [0.0001818, 0.5015, 0.7508]\n", + " PeriodicSite: P (10.26, 20.31, 5.247) [0.5049, 0.9998, 0.2583]\n", + " PeriodicSite: P (10.08, 0.1997, 15.49) [0.4964, 0.009828, 0.7625]\n", + " PeriodicSite: P (10.34, 10.47, 4.614) [0.5089, 0.5156, 0.2271]\n", + " PeriodicSite: P (10.11, 9.997, 15.33) [0.4975, 0.4921, 0.7547]\n", + " PeriodicSite: P (20.18, 5.271, 20.29) [0.9934, 0.2595, 0.9989]\n", + " PeriodicSite: P (20.16, 5.275, 10.08) [0.9923, 0.2597, 0.4964]\n", + " PeriodicSite: P (0.1447, 15.65, 20.14) [0.007122, 0.7702, 0.9915]\n", + " PeriodicSite: P (20.2, 15.23, 10.05) [0.9943, 0.7499, 0.4946]\n", + " PeriodicSite: P (9.809, 4.902, 0.1878) [0.4829, 0.2413, 0.009247]\n", + " PeriodicSite: P (9.481, 5.242, 9.774) [0.4668, 0.2581, 0.4812]\n", + " PeriodicSite: P (10.39, 15.39, 20.28) [0.5115, 0.7574, 0.9985]\n", + " PeriodicSite: P (10.4, 15.14, 10.46) [0.5122, 0.7454, 0.5151],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.4387, 6.507, 3.437) [0.0216, 0.3203, 0.1692]\n", + " PeriodicSite: Li (1.147, 3.247, 15.74) [0.05645, 0.1599, 0.7749]\n", + " PeriodicSite: Li (0.2983, 12.09, 8.028) [0.01468, 0.5952, 0.3952]\n", + " PeriodicSite: Li (0.6372, 13.98, 16.54) [0.03137, 0.6881, 0.8144]\n", + " PeriodicSite: Li (14.58, 0.7817, 6.974) [0.718, 0.03848, 0.3434]\n", + " PeriodicSite: Li (11.93, 4.163, 16.11) [0.5871, 0.2049, 0.7932]\n", + " PeriodicSite: Li (15.87, 12.46, 4.104) [0.7812, 0.6134, 0.202]\n", + " PeriodicSite: Li (17.19, 8.25, 15.32) [0.8465, 0.4061, 0.7542]\n", + " PeriodicSite: Li (4.98, 4.383, 8.183) [0.2452, 0.2158, 0.4028]\n", + " PeriodicSite: Li (2.387, 0.7495, 19.44) [0.1175, 0.0369, 0.9573]\n", + " PeriodicSite: Li (3.305, 7.968, 5.563) [0.1627, 0.3923, 0.2739]\n", + " PeriodicSite: Li (7.248, 9.899, 17.18) [0.3569, 0.4873, 0.8458]\n", + " PeriodicSite: Li (11.77, 4.845, 7.136) [0.5795, 0.2385, 0.3513]\n", + " PeriodicSite: Li (12.21, 1.174, 19.87) [0.6009, 0.05779, 0.978]\n", + " PeriodicSite: Li (11.96, 9.717, 12.04) [0.5886, 0.4784, 0.5927]\n", + " PeriodicSite: Li (9.989, 18.5, 18.44) [0.4918, 0.9106, 0.9076]\n", + " PeriodicSite: Li (4.696, 0.8816, 7.583) [0.2312, 0.0434, 0.3733]\n", + " PeriodicSite: Li (3.336, 20.07, 13.6) [0.1642, 0.988, 0.6697]\n", + " PeriodicSite: Li (3.32, 10.29, 7.098) [0.1634, 0.5066, 0.3494]\n", + " PeriodicSite: Li (7.047, 10.03, 13.56) [0.3469, 0.4936, 0.6675]\n", + " PeriodicSite: Li (12.27, 0.642, 9.267) [0.604, 0.0316, 0.4562]\n", + " PeriodicSite: Li (9.773, 1.763, 18.43) [0.4811, 0.08677, 0.9072]\n", + " PeriodicSite: Li (13.72, 15.06, 8.342) [0.6752, 0.7415, 0.4107]\n", + " PeriodicSite: Li (12.18, 10.75, 19.45) [0.5997, 0.5293, 0.9575]\n", + " PeriodicSite: Li (0.7857, 4.645, 7.245) [0.03868, 0.2287, 0.3567]\n", + " PeriodicSite: Li (0.2414, 2.523, 18.55) [0.01189, 0.1242, 0.913]\n", + " PeriodicSite: Li (2.113, 14.69, 6.819) [0.104, 0.7233, 0.3357]\n", + " PeriodicSite: Li (3.479, 15.42, 18.52) [0.1713, 0.7591, 0.9119]\n", + " PeriodicSite: Li (12.64, 2.509, 5.474) [0.6224, 0.1235, 0.2695]\n", + " PeriodicSite: Li (13.16, 0.4543, 16.82) [0.6478, 0.02236, 0.8279]\n", + " PeriodicSite: Li (10.81, 11.76, 8.215) [0.532, 0.5792, 0.4044]\n", + " PeriodicSite: Li (16.91, 16.77, 19.74) [0.8326, 0.8257, 0.9717]\n", + " PeriodicSite: Li (7.229, 0.5052, 4.505) [0.3559, 0.02487, 0.2218]\n", + " PeriodicSite: Li (0.7286, 18.06, 1.209) [0.03586, 0.8891, 0.05954]\n", + " PeriodicSite: Li (2.763, 14.34, 9.344) [0.136, 0.7061, 0.46]\n", + " PeriodicSite: Li (1.421, 17.57, 14.99) [0.06996, 0.8651, 0.7379]\n", + " PeriodicSite: Li (14.52, 4.371, 7.967) [0.7147, 0.2152, 0.3922]\n", + " PeriodicSite: Li (14.95, 2.952, 18.78) [0.736, 0.1453, 0.9247]\n", + " PeriodicSite: Li (17.91, 15.36, 7.498) [0.8818, 0.7563, 0.3691]\n", + " PeriodicSite: Li (9.977, 13.46, 17.49) [0.4912, 0.6628, 0.8608]\n", + " PeriodicSite: Li (5.259, 2.233, 3.752) [0.2589, 0.1099, 0.1847]\n", + " PeriodicSite: Li (3.595, 1.526, 15.99) [0.177, 0.07511, 0.7873]\n", + " PeriodicSite: Li (4.29, 12.35, 5.545) [0.2112, 0.6082, 0.273]\n", + " PeriodicSite: Li (18.55, 13.15, 4.782) [0.9135, 0.6473, 0.2354]\n", + " PeriodicSite: Li (10.03, 2.228, 7.835) [0.4936, 0.1097, 0.3857]\n", + " PeriodicSite: Li (17.19, 0.1446, 16.73) [0.8464, 0.00711, 0.8234]\n", + " PeriodicSite: Li (13.49, 11.8, 3.987) [0.6644, 0.5811, 0.1963]\n", + " PeriodicSite: Li (14.72, 8.301, 16.48) [0.7248, 0.4087, 0.8113]\n", + " PeriodicSite: Li (3.681, 12.47, 15.37) [0.1812, 0.6137, 0.7565]\n", + " PeriodicSite: Li (2.39, 10.96, 9.866) [0.1176, 0.5396, 0.4857]\n", + " PeriodicSite: Li (0.3074, 15.91, 3.136) [0.01513, 0.7834, 0.1544]\n", + " PeriodicSite: Li (1.804, 0.3249, 8.722) [0.08881, 0.016, 0.4294]\n", + " PeriodicSite: Li (11.33, 5.52, 2.835) [0.5577, 0.2718, 0.1396]\n", + " PeriodicSite: Li (11.62, 7.305, 14.96) [0.5722, 0.3596, 0.7363]\n", + " PeriodicSite: Li (12.33, 14.02, 5.449) [0.6072, 0.6903, 0.2683]\n", + " PeriodicSite: Li (13.14, 0.4889, 14.01) [0.6469, 0.02406, 0.69]\n", + " PeriodicSite: Li (3.156, 5.709, 1.236) [0.1554, 0.281, 0.06085]\n", + " PeriodicSite: Li (2.404, 5.466, 10.94) [0.1184, 0.2691, 0.5384]\n", + " PeriodicSite: Li (7.347, 16.98, 20.23) [0.3617, 0.8358, 0.9958]\n", + " PeriodicSite: Li (3.883, 18.99, 16.75) [0.1912, 0.9347, 0.8244]\n", + " PeriodicSite: Li (14.13, 5.419, 1.368) [0.6958, 0.2668, 0.06735]\n", + " PeriodicSite: Li (10.69, 6.012, 12.46) [0.526, 0.296, 0.6133]\n", + " PeriodicSite: Li (12.83, 18.03, 4.864) [0.6317, 0.8878, 0.2395]\n", + " PeriodicSite: Li (10.51, 17.51, 13.48) [0.5176, 0.8618, 0.6639]\n", + " PeriodicSite: Li (4.021, 10.85, 17.57) [0.198, 0.5342, 0.8649]\n", + " PeriodicSite: Li (4.789, 7.321, 12.11) [0.2358, 0.3604, 0.5964]\n", + " PeriodicSite: Li (4.72, 18.21, 3.748) [0.2324, 0.8966, 0.1845]\n", + " PeriodicSite: Li (3.039, 17.3, 10.12) [0.1496, 0.8519, 0.4982]\n", + " PeriodicSite: Li (10.39, 8.388, 1.544) [0.5116, 0.4129, 0.07602]\n", + " PeriodicSite: Li (14.26, 5.629, 12.41) [0.7021, 0.2771, 0.6109]\n", + " PeriodicSite: Li (10.87, 16.12, 3.173) [0.535, 0.7938, 0.1562]\n", + " PeriodicSite: Li (14.57, 15.42, 12.12) [0.7173, 0.7589, 0.5968]\n", + " PeriodicSite: Li (0.4586, 9.179, 1.993) [0.02257, 0.4519, 0.0981]\n", + " PeriodicSite: Li (17.06, 6.598, 9.899) [0.84, 0.3248, 0.4873]\n", + " PeriodicSite: Li (1.757, 17.56, 4.808) [0.08649, 0.8646, 0.2367]\n", + " PeriodicSite: Li (0.3406, 18.35, 12.43) [0.01676, 0.9032, 0.6121]\n", + " PeriodicSite: Li (10.93, 7.587, 4.69) [0.538, 0.3735, 0.2309]\n", + " PeriodicSite: Li (13.26, 11.02, 16.17) [0.6526, 0.5426, 0.7962]\n", + " PeriodicSite: Li (13.5, 15.17, 1.867) [0.6644, 0.7469, 0.09194]\n", + " PeriodicSite: Li (12.27, 14.23, 15.5) [0.604, 0.7005, 0.7632]\n", + " PeriodicSite: Li (5.81, 7.943, 6.428) [0.286, 0.3911, 0.3164]\n", + " PeriodicSite: Li (20.02, 11.95, 12.06) [0.9857, 0.5884, 0.5938]\n", + " PeriodicSite: Li (19.26, 17.79, 5.826) [0.9481, 0.8758, 0.2868]\n", + " PeriodicSite: Li (5.342, 18.53, 14.38) [0.263, 0.9124, 0.7082]\n", + " PeriodicSite: Li (17.55, 10.42, 3.484) [0.8642, 0.5131, 0.1715]\n", + " PeriodicSite: Li (12.82, 6.991, 10.46) [0.6313, 0.3442, 0.515]\n", + " PeriodicSite: Li (13.44, 17.48, 0.3573) [0.6616, 0.8606, 0.0176]\n", + " PeriodicSite: Li (13.01, 17.8, 10.23) [0.6407, 0.8761, 0.5034]\n", + " PeriodicSite: Li (3.136, 3.21, 20.27) [0.1544, 0.158, 0.9978]\n", + " PeriodicSite: Li (3.409, 9.98, 13.47) [0.1678, 0.4913, 0.6634]\n", + " PeriodicSite: Li (2.918, 20.16, 3.18) [0.1437, 0.9925, 0.1566]\n", + " PeriodicSite: Li (1.549, 15.52, 12.94) [0.07623, 0.7641, 0.6369]\n", + " PeriodicSite: Li (14.39, 8.838, 3.079) [0.7086, 0.4351, 0.1516]\n", + " PeriodicSite: Li (14.7, 8.405, 13.33) [0.7239, 0.4138, 0.6563]\n", + " PeriodicSite: Li (14.93, 18.49, 2.927) [0.7348, 0.9101, 0.1441]\n", + " PeriodicSite: Li (18.25, 5.102, 13.02) [0.8983, 0.2511, 0.6411]\n", + " PeriodicSite: Li (9.733, 3.24, 3.337) [0.4792, 0.1595, 0.1643]\n", + " PeriodicSite: Li (9.702, 1.495, 12.04) [0.4776, 0.07361, 0.5927]\n", + " PeriodicSite: Li (6.646, 9.999, 3.638) [0.3272, 0.4923, 0.1791]\n", + " PeriodicSite: Li (6.856, 12.02, 15.27) [0.3375, 0.5918, 0.7519]\n", + " PeriodicSite: Li (18.24, 3.204, 4.664) [0.8977, 0.1577, 0.2296]\n", + " PeriodicSite: Li (12.84, 3.945, 9.924) [0.6323, 0.1942, 0.4886]\n", + " PeriodicSite: Li (19.82, 12.46, 1.528) [0.9756, 0.6133, 0.07523]\n", + " PeriodicSite: Li (17.18, 9.879, 12.86) [0.8456, 0.4863, 0.6333]\n", + " PeriodicSite: Li (5.679, 18.44, 6.218) [0.2796, 0.9079, 0.3061]\n", + " PeriodicSite: Li (8.619, 2.859, 14.95) [0.4243, 0.1408, 0.7361]\n", + " PeriodicSite: Li (6.211, 13.77, 19.07) [0.3058, 0.6781, 0.9388]\n", + " PeriodicSite: Li (9.969, 13.29, 13.76) [0.4908, 0.6544, 0.6774]\n", + " PeriodicSite: Li (13.36, 0.05629, 3.135) [0.6578, 0.002765, 0.1543]\n", + " PeriodicSite: Li (18.63, 2.067, 10.44) [0.9172, 0.1018, 0.514]\n", + " PeriodicSite: Li (16.76, 14.97, 1.896) [0.825, 0.7372, 0.09333]\n", + " PeriodicSite: Li (17.3, 15.09, 11.99) [0.8515, 0.7427, 0.5905]\n", + " PeriodicSite: Li (8.098, 5.342, 6.63) [0.3986, 0.263, 0.3264]\n", + " PeriodicSite: Li (6.666, 0.1669, 13.47) [0.3282, 0.008216, 0.6631]\n", + " PeriodicSite: Li (9.908, 12.33, 1.64) [0.4878, 0.6069, 0.08073]\n", + " PeriodicSite: Li (5.686, 13.55, 12.04) [0.2799, 0.6672, 0.5928]\n", + " PeriodicSite: Li (20.15, 2.486, 2.179) [0.9919, 0.1224, 0.1073]\n", + " PeriodicSite: Li (0.3588, 8.628, 11.85) [0.01766, 0.4247, 0.5835]\n", + " PeriodicSite: Li (15.99, 12.5, 0.8753) [0.7874, 0.6155, 0.0431]\n", + " PeriodicSite: Li (15.29, 11.77, 13.21) [0.7526, 0.5793, 0.6505]\n", + " PeriodicSite: Li (3.167, 1.219, 5.321) [0.1559, 0.06003, 0.262]\n", + " PeriodicSite: Li (5.968, 2.422, 14.58) [0.2938, 0.1192, 0.718]\n", + " PeriodicSite: Li (5.294, 12.96, 1.52) [0.2606, 0.6378, 0.07482]\n", + " PeriodicSite: Li (8.115, 6.419, 15.6) [0.3995, 0.316, 0.7679]\n", + " PeriodicSite: Li (17.35, 4.941, 1.614) [0.854, 0.2433, 0.07948]\n", + " PeriodicSite: Li (14.9, 18.5, 13.78) [0.7337, 0.9105, 0.6786]\n", + " PeriodicSite: Li (13.24, 14.24, 19.31) [0.652, 0.7009, 0.9508]\n", + " PeriodicSite: Li (16.83, 13.08, 10.34) [0.8286, 0.6437, 0.5092]\n", + " PeriodicSite: Li (6.418, 3.121, 0.3431) [0.3159, 0.1537, 0.01689]\n", + " PeriodicSite: Li (4.724, 3.276, 11.81) [0.2326, 0.1613, 0.5814]\n", + " PeriodicSite: Li (7.542, 10.69, 0.8811) [0.3713, 0.526, 0.04338]\n", + " PeriodicSite: Li (8.533, 11.47, 10.38) [0.4201, 0.5647, 0.5111]\n", + " PeriodicSite: Li (15.48, 1.988, 3.359) [0.7622, 0.09789, 0.1654]\n", + " PeriodicSite: Li (15.97, 3.334, 10.68) [0.7864, 0.1641, 0.5259]\n", + " PeriodicSite: Li (1.392, 11.11, 19.51) [0.06855, 0.5468, 0.9607]\n", + " PeriodicSite: Li (18.54, 13.56, 14.72) [0.9129, 0.6677, 0.7249]\n", + " PeriodicSite: Li (7.846, 0.7178, 0.7929) [0.3863, 0.03534, 0.03904]\n", + " PeriodicSite: Li (7.27, 2.542, 10.52) [0.3579, 0.1251, 0.5181]\n", + " PeriodicSite: Li (8.541, 12.88, 4.614) [0.4205, 0.6339, 0.2271]\n", + " PeriodicSite: Li (4.438, 16.5, 12.26) [0.2185, 0.8125, 0.6036]\n", + " PeriodicSite: Li (17.22, 3.021, 0.06587) [0.8476, 0.1487, 0.003248]\n", + " PeriodicSite: Li (1.105, 6.816, 14.98) [0.0544, 0.3355, 0.7377]\n", + " PeriodicSite: Li (5.176, 13.47, 8.349) [0.2548, 0.6631, 0.411]\n", + " PeriodicSite: Li (13.57, 12.66, 10.01) [0.6679, 0.6233, 0.4927]\n", + " PeriodicSite: Li (14.42, 10.84, 7.312) [0.7098, 0.5339, 0.36]\n", + " PeriodicSite: Li (5.16, 8.192, 16.1) [0.254, 0.4033, 0.7928]\n", + " PeriodicSite: Li (7.487, 15.45, 10.05) [0.3686, 0.7604, 0.4948]\n", + " PeriodicSite: Li (3.858, 17.27, 0.3947) [0.1899, 0.8504, 0.01944]\n", + " PeriodicSite: Li (17.26, 9.982, 6.878) [0.8497, 0.4914, 0.3386]\n", + " PeriodicSite: Li (2.92, 4.966, 17.98) [0.1438, 0.2445, 0.885]\n", + " PeriodicSite: Li (17.31, 0.1652, 4.454) [0.8522, 0.008124, 0.2193]\n", + " PeriodicSite: Li (20.07, 18.11, 18.14) [0.9881, 0.8916, 0.8929]\n", + " PeriodicSite: Li (6.746, 10.59, 6.915) [0.3321, 0.5211, 0.3404]\n", + " PeriodicSite: Li (7.343, 6.112, 19.78) [0.3615, 0.3009, 0.9738]\n", + " PeriodicSite: Li (8.285, 19.75, 8.019) [0.4079, 0.9725, 0.3948]\n", + " PeriodicSite: Li (7.755, 15.64, 16.6) [0.3818, 0.7702, 0.8172]\n", + " PeriodicSite: Li (18.35, 9.269, 9.622) [0.9033, 0.4563, 0.4737]\n", + " PeriodicSite: Li (16.9, 6.657, 19.57) [0.832, 0.3277, 0.9634]\n", + " PeriodicSite: Li (18.06, 0.1055, 7.986) [0.8889, 0.005187, 0.3932]\n", + " PeriodicSite: Li (18.18, 17.59, 15.56) [0.8949, 0.866, 0.7661]\n", + " PeriodicSite: Li (6.562, 6.97, 9.774) [0.3231, 0.3431, 0.4812]\n", + " PeriodicSite: Li (5.191, 3.172, 18.12) [0.2556, 0.1562, 0.8922]\n", + " PeriodicSite: Li (9.71, 17.87, 9.539) [0.478, 0.8799, 0.4696]\n", + " PeriodicSite: Li (16.71, 11.43, 16.23) [0.8228, 0.5626, 0.7992]\n", + " PeriodicSite: Li (20.07, 7.536, 7.751) [0.9878, 0.371, 0.3816]\n", + " PeriodicSite: Li (18.0, 5.273, 17.11) [0.8863, 0.2596, 0.8424]\n", + " PeriodicSite: Li (16.53, 17.11, 9.407) [0.8139, 0.8423, 0.4631]\n", + " PeriodicSite: Li (16.31, 13.79, 18.93) [0.8028, 0.679, 0.9318]\n", + " PeriodicSite: Li (9.275, 8.031, 9.334) [0.4566, 0.3954, 0.4595]\n", + " PeriodicSite: Li (6.539, 5.47, 2.103) [0.3219, 0.2693, 0.1036]\n", + " PeriodicSite: Li (5.434, 16.99, 8.48) [0.2675, 0.8366, 0.4175]\n", + " PeriodicSite: Li (7.145, 14.68, 2.184) [0.3518, 0.7228, 0.1075]\n", + " PeriodicSite: Li (15.41, 7.101, 7.652) [0.7585, 0.3496, 0.3767]\n", + " PeriodicSite: Li (20.05, 7.194, 17.57) [0.9869, 0.3542, 0.8651]\n", + " PeriodicSite: Li (15.85, 18.37, 6.605) [0.7804, 0.9043, 0.3252]\n", + " PeriodicSite: Li (14.89, 18.32, 16.88) [0.733, 0.902, 0.8313]\n", + " PeriodicSite: Li (6.67, 5.087, 12.36) [0.3284, 0.2504, 0.6086]\n", + " PeriodicSite: Li (4.805, 6.887, 18.36) [0.2366, 0.339, 0.904]\n", + " PeriodicSite: Li (9.011, 17.67, 6.112) [0.4436, 0.87, 0.3009]\n", + " PeriodicSite: Li (10.8, 18.74, 1.917) [0.5315, 0.9227, 0.0944]\n", + " PeriodicSite: Li (17.13, 7.888, 5.267) [0.8431, 0.3883, 0.2593]\n", + " PeriodicSite: Li (13.78, 6.438, 19.31) [0.6786, 0.317, 0.9504]\n", + " PeriodicSite: Li (19.37, 18.0, 9.082) [0.9536, 0.8862, 0.4471]\n", + " PeriodicSite: Li (18.05, 0.2916, 1.022) [0.8884, 0.01435, 0.05034]\n", + " PeriodicSite: Li (3.828, 9.701, 2.673) [0.1884, 0.4776, 0.1316]\n", + " PeriodicSite: Li (9.765, 8.013, 18.14) [0.4807, 0.3945, 0.893]\n", + " PeriodicSite: Li (8.938, 15.56, 7.051) [0.44, 0.766, 0.3471]\n", + " PeriodicSite: Li (6.636, 20.09, 17.26) [0.3267, 0.9891, 0.8499]\n", + " PeriodicSite: Li (18.08, 5.706, 7.163) [0.8903, 0.2809, 0.3526]\n", + " PeriodicSite: Li (18.39, 10.13, 18.38) [0.9052, 0.4985, 0.905]\n", + " PeriodicSite: Li (3.229, 15.22, 2.068) [0.1589, 0.7495, 0.1018]\n", + " PeriodicSite: Li (15.79, 2.005, 14.41) [0.7773, 0.09871, 0.7093]\n", + " PeriodicSite: Cl (7.589, 12.55, 13.16) [0.3736, 0.6178, 0.6479]\n", + " PeriodicSite: Cl (2.425, 12.66, 17.64) [0.1194, 0.6235, 0.8685]\n", + " PeriodicSite: Cl (12.82, 17.64, 12.84) [0.6313, 0.8685, 0.6323]\n", + " PeriodicSite: Cl (17.68, 7.55, 17.45) [0.8703, 0.3717, 0.859]\n", + " PeriodicSite: Cl (7.59, 2.053, 2.764) [0.3737, 0.1011, 0.1361]\n", + " PeriodicSite: Cl (7.649, 7.891, 7.889) [0.3766, 0.3885, 0.3884]\n", + " PeriodicSite: Cl (12.86, 12.61, 7.78) [0.633, 0.621, 0.383]\n", + " PeriodicSite: Cl (2.507, 7.646, 2.994) [0.1234, 0.3764, 0.1474]\n", + " PeriodicSite: Cl (2.613, 7.762, 12.38) [0.1287, 0.3821, 0.6093]\n", + " PeriodicSite: Cl (12.8, 12.47, 18.01) [0.6301, 0.6138, 0.8866]\n", + " PeriodicSite: Cl (17.66, 18.35, 17.58) [0.8693, 0.9035, 0.8655]\n", + " PeriodicSite: Cl (2.792, 2.097, 7.55) [0.1374, 0.1032, 0.3717]\n", + " PeriodicSite: Cl (12.4, 2.255, 17.97) [0.6103, 0.111, 0.8845]\n", + " PeriodicSite: Cl (12.55, 7.162, 2.214) [0.6176, 0.3526, 0.109]\n", + " PeriodicSite: Cl (17.28, 3.03, 12.45) [0.8508, 0.1492, 0.6129]\n", + " PeriodicSite: Cl (7.791, 17.91, 17.72) [0.3836, 0.8818, 0.8725]\n", + " PeriodicSite: Cl (0.3816, 0.7035, 0.003212) [0.01879, 0.03463, 0.0001583]\n", + " PeriodicSite: Cl (19.79, 0.1913, 9.54) [0.9741, 0.009407, 0.4697]\n", + " PeriodicSite: Cl (19.91, 10.56, 0.3486) [0.9803, 0.52, 0.01717]\n", + " PeriodicSite: Cl (20.3, 10.35, 10.16) [0.9994, 0.5098, 0.5]\n", + " PeriodicSite: Cl (9.859, 20.26, 20.0) [0.4854, 0.9977, 0.9846]\n", + " PeriodicSite: Cl (10.01, 20.21, 10.1) [0.4927, 0.9949, 0.4971]\n", + " PeriodicSite: Cl (10.07, 10.07, 20.27) [0.4956, 0.4957, 0.9977]\n", + " PeriodicSite: Cl (10.41, 10.36, 10.15) [0.5127, 0.51, 0.4998]\n", + " PeriodicSite: Cl (20.13, 5.837, 5.571) [0.9912, 0.2873, 0.2743]\n", + " PeriodicSite: Cl (20.02, 5.1, 15.78) [0.9854, 0.2511, 0.7769]\n", + " PeriodicSite: Cl (0.1061, 15.81, 5.379) [0.005218, 0.7784, 0.2648]\n", + " PeriodicSite: Cl (20.27, 15.39, 14.83) [0.9981, 0.7576, 0.7299]\n", + " PeriodicSite: Cl (10.36, 4.905, 5.125) [0.5098, 0.2415, 0.2523]\n", + " PeriodicSite: Cl (10.03, 5.566, 14.95) [0.4937, 0.274, 0.7361]\n", + " PeriodicSite: Cl (10.04, 15.28, 5.237) [0.4943, 0.7523, 0.2578]\n", + " PeriodicSite: Cl (9.924, 14.61, 15.61) [0.4885, 0.7194, 0.7683]\n", + " PeriodicSite: S (5.142, 0.01012, 4.901) [0.2531, 0.0004962, 0.2413]\n", + " PeriodicSite: S (5.267, 0.237, 15.36) [0.2593, 0.01166, 0.7562]\n", + " PeriodicSite: S (4.774, 9.86, 5.287) [0.235, 0.4854, 0.2603]\n", + " PeriodicSite: S (4.926, 10.3, 15.38) [0.2425, 0.507, 0.7571]\n", + " PeriodicSite: S (15.06, 20.18, 4.677) [0.7413, 0.9936, 0.2303]\n", + " PeriodicSite: S (15.11, 20.18, 15.4) [0.7437, 0.9935, 0.7584]\n", + " PeriodicSite: S (15.27, 10.05, 4.777) [0.7519, 0.4946, 0.2352]\n", + " PeriodicSite: S (15.49, 9.904, 15.01) [0.7625, 0.4876, 0.7388]\n", + " PeriodicSite: S (4.93, 4.997, 19.86) [0.2427, 0.246, 0.9778]\n", + " PeriodicSite: S (4.992, 5.131, 10.46) [0.2457, 0.2526, 0.515]\n", + " PeriodicSite: S (5.3, 15.37, 0.2615) [0.2609, 0.7569, 0.01288]\n", + " PeriodicSite: S (4.898, 15.49, 10.21) [0.2411, 0.7624, 0.5024]\n", + " PeriodicSite: S (15.41, 4.797, 20.08) [0.7587, 0.2361, 0.9884]\n", + " PeriodicSite: S (14.84, 5.38, 9.997) [0.7304, 0.2649, 0.4922]\n", + " PeriodicSite: S (15.29, 15.21, 0.1435) [0.7528, 0.7488, 0.007069]\n", + " PeriodicSite: S (15.31, 14.92, 9.871) [0.7539, 0.7346, 0.4859]\n", + " PeriodicSite: S (8.451, 4.0, 8.813) [0.4161, 0.1969, 0.4339]\n", + " PeriodicSite: S (8.663, 3.675, 19.38) [0.4265, 0.1809, 0.9541]\n", + " PeriodicSite: S (9.25, 13.99, 9.048) [0.4554, 0.6887, 0.4455]\n", + " PeriodicSite: S (8.799, 14.68, 19.31) [0.4332, 0.7228, 0.9508]\n", + " PeriodicSite: S (18.73, 4.114, 8.878) [0.922, 0.2025, 0.4371]\n", + " PeriodicSite: S (19.03, 4.239, 19.3) [0.9367, 0.2087, 0.9503]\n", + " PeriodicSite: S (19.02, 13.91, 8.827) [0.9361, 0.6849, 0.4345]\n", + " PeriodicSite: S (19.38, 14.82, 18.63) [0.9541, 0.7295, 0.917]\n", + " PeriodicSite: S (4.118, 1.352, 1.326) [0.2027, 0.06653, 0.06527]\n", + " PeriodicSite: S (3.821, 0.9034, 11.42) [0.1881, 0.04447, 0.5621]\n", + " PeriodicSite: S (3.349, 11.56, 0.8214) [0.1649, 0.5691, 0.04044]\n", + " PeriodicSite: S (4.154, 11.64, 11.55) [0.2045, 0.5732, 0.5687]\n", + " PeriodicSite: S (14.15, 1.359, 0.9484) [0.6966, 0.06691, 0.04669]\n", + " PeriodicSite: S (13.9, 0.6191, 11.14) [0.6843, 0.03048, 0.5484]\n", + " PeriodicSite: S (13.81, 11.07, 1.144) [0.6798, 0.5449, 0.05634]\n", + " PeriodicSite: S (13.94, 10.87, 11.31) [0.6865, 0.535, 0.557]\n", + " PeriodicSite: S (6.323, 0.8427, 9.143) [0.3113, 0.04149, 0.4501]\n", + " PeriodicSite: S (6.392, 1.025, 19.24) [0.3147, 0.05045, 0.9474]\n", + " PeriodicSite: S (6.469, 11.54, 9.099) [0.3185, 0.5679, 0.448]\n", + " PeriodicSite: S (5.904, 11.25, 19.01) [0.2906, 0.5539, 0.9357]\n", + " PeriodicSite: S (16.31, 1.542, 8.971) [0.803, 0.07592, 0.4416]\n", + " PeriodicSite: S (16.59, 0.921, 18.99) [0.8169, 0.04534, 0.9349]\n", + " PeriodicSite: S (16.3, 11.09, 8.917) [0.8023, 0.546, 0.439]\n", + " PeriodicSite: S (16.21, 11.16, 18.94) [0.7983, 0.5495, 0.9327]\n", + " PeriodicSite: S (1.218, 4.331, 1.362) [0.05998, 0.2132, 0.06708]\n", + " PeriodicSite: S (0.4317, 3.752, 11.59) [0.02126, 0.1847, 0.5705]\n", + " PeriodicSite: S (0.9757, 14.21, 1.34) [0.04803, 0.6995, 0.06595]\n", + " PeriodicSite: S (0.9179, 13.94, 11.19) [0.04519, 0.6863, 0.5508]\n", + " PeriodicSite: S (11.13, 3.669, 1.184) [0.5481, 0.1806, 0.05831]\n", + " PeriodicSite: S (10.85, 3.979, 11.26) [0.5343, 0.1959, 0.5545]\n", + " PeriodicSite: S (11.28, 14.57, 1.258) [0.5552, 0.7172, 0.06195]\n", + " PeriodicSite: S (11.67, 13.83, 11.52) [0.5745, 0.6809, 0.567]\n", + " PeriodicSite: S (2.676, 2.667, 17.96) [0.1318, 0.1313, 0.8841]\n", + " PeriodicSite: S (2.783, 12.6, 7.841) [0.137, 0.6201, 0.386]\n", + " PeriodicSite: S (12.87, 2.776, 7.964) [0.6338, 0.1367, 0.3921]\n", + " PeriodicSite: S (8.998, 8.995, 3.81) [0.443, 0.4428, 0.1876]\n", + " PeriodicSite: S (9.047, 8.87, 14.41) [0.4454, 0.4367, 0.7092]\n", + " PeriodicSite: S (9.039, 19.12, 3.99) [0.445, 0.9415, 0.1964]\n", + " PeriodicSite: S (8.769, 19.26, 13.86) [0.4317, 0.9483, 0.6823]\n", + " PeriodicSite: S (19.25, 8.689, 4.126) [0.9478, 0.4278, 0.2031]\n", + " PeriodicSite: S (19.36, 8.857, 14.09) [0.9532, 0.4361, 0.6937]\n", + " PeriodicSite: S (19.21, 19.3, 3.653) [0.9457, 0.9499, 0.1799]\n", + " PeriodicSite: S (19.49, 19.25, 14.1) [0.9597, 0.9477, 0.6944]\n", + " PeriodicSite: S (4.116, 6.085, 6.475) [0.2026, 0.2996, 0.3188]\n", + " PeriodicSite: S (3.448, 6.35, 16.21) [0.1697, 0.3126, 0.7978]\n", + " PeriodicSite: S (4.112, 16.22, 6.259) [0.2024, 0.7986, 0.3081]\n", + " PeriodicSite: S (3.869, 16.54, 16.42) [0.1905, 0.8144, 0.8083]\n", + " PeriodicSite: S (13.89, 5.949, 6.018) [0.684, 0.2929, 0.2963]\n", + " PeriodicSite: S (13.74, 6.026, 16.7) [0.6764, 0.2967, 0.8223]\n", + " PeriodicSite: S (14.17, 16.43, 6.097) [0.6976, 0.8089, 0.3002]\n", + " PeriodicSite: S (13.81, 16.04, 16.59) [0.68, 0.7899, 0.8165]\n", + " PeriodicSite: S (6.95, 6.399, 4.617) [0.3421, 0.315, 0.2273]\n", + " PeriodicSite: S (5.958, 6.501, 13.93) [0.2933, 0.3201, 0.6859]\n", + " PeriodicSite: S (6.689, 16.46, 4.18) [0.3293, 0.8104, 0.2058]\n", + " PeriodicSite: S (6.661, 16.32, 14.25) [0.3279, 0.8036, 0.7017]\n", + " PeriodicSite: S (16.58, 6.036, 3.693) [0.8161, 0.2971, 0.1818]\n", + " PeriodicSite: S (16.21, 6.162, 14.19) [0.798, 0.3034, 0.6986]\n", + " PeriodicSite: S (16.65, 16.23, 3.733) [0.8199, 0.7988, 0.1838]\n", + " PeriodicSite: S (16.35, 16.57, 14.25) [0.8048, 0.8158, 0.7018]\n", + " PeriodicSite: S (1.081, 9.046, 6.749) [0.0532, 0.4453, 0.3322]\n", + " PeriodicSite: S (1.155, 9.224, 16.75) [0.05684, 0.4541, 0.8247]\n", + " PeriodicSite: S (1.425, 19.64, 5.895) [0.07014, 0.9669, 0.2902]\n", + " PeriodicSite: S (1.256, 19.34, 16.75) [0.06183, 0.952, 0.8246]\n", + " PeriodicSite: S (12.01, 9.445, 5.817) [0.5911, 0.465, 0.2864]\n", + " PeriodicSite: S (11.59, 8.981, 16.61) [0.5705, 0.4421, 0.818]\n", + " PeriodicSite: S (11.25, 18.93, 6.294) [0.554, 0.9317, 0.3099]\n", + " PeriodicSite: S (11.17, 19.22, 16.17) [0.5501, 0.9462, 0.7962]\n", + " PeriodicSite: S (2.608, 17.68, 2.558) [0.1284, 0.8702, 0.1259]\n", + " PeriodicSite: S (2.643, 17.62, 12.9) [0.1301, 0.8674, 0.6353]\n", + " PeriodicSite: S (12.75, 7.229, 12.91) [0.6275, 0.3559, 0.6357]\n", + " PeriodicSite: S (12.7, 17.75, 2.392) [0.6253, 0.8739, 0.1178]\n", + " PeriodicSite: S (4.438, 4.637, 3.356) [0.2185, 0.2283, 0.1652]\n", + " PeriodicSite: S (3.83, 3.907, 14.0) [0.1886, 0.1923, 0.6893]\n", + " PeriodicSite: S (3.927, 14.05, 3.992) [0.1933, 0.6918, 0.1965]\n", + " PeriodicSite: S (3.883, 14.35, 14.06) [0.1912, 0.7065, 0.6921]\n", + " PeriodicSite: S (14.08, 3.893, 3.607) [0.6934, 0.1917, 0.1776]\n", + " PeriodicSite: S (13.9, 3.678, 14.27) [0.6846, 0.1811, 0.7025]\n", + " PeriodicSite: S (14.13, 13.96, 3.72) [0.6954, 0.6873, 0.1832]\n", + " PeriodicSite: S (14.21, 13.95, 14.09) [0.6994, 0.6867, 0.6935]\n", + " PeriodicSite: S (8.936, 1.171, 6.24) [0.4399, 0.05766, 0.3072]\n", + " PeriodicSite: S (8.513, 1.111, 16.36) [0.4191, 0.05467, 0.8053]\n", + " PeriodicSite: S (8.973, 11.04, 6.387) [0.4417, 0.5435, 0.3145]\n", + " PeriodicSite: S (9.049, 11.33, 16.69) [0.4455, 0.5576, 0.8214]\n", + " PeriodicSite: S (19.18, 1.369, 5.987) [0.9444, 0.06738, 0.2948]\n", + " PeriodicSite: S (19.25, 1.639, 16.08) [0.9478, 0.08066, 0.7918]\n", + " PeriodicSite: S (18.93, 11.33, 6.298) [0.932, 0.5577, 0.31]\n", + " PeriodicSite: S (19.2, 11.54, 16.4) [0.9451, 0.5682, 0.8075]\n", + " PeriodicSite: S (1.228, 1.638, 3.673) [0.06044, 0.08063, 0.1808]\n", + " PeriodicSite: S (1.683, 1.396, 14.21) [0.08288, 0.06872, 0.6995]\n", + " PeriodicSite: S (1.031, 11.12, 3.825) [0.05078, 0.5473, 0.1883]\n", + " PeriodicSite: S (1.182, 11.39, 14.09) [0.05818, 0.5609, 0.6936]\n", + " PeriodicSite: S (11.18, 1.364, 3.856) [0.5506, 0.06712, 0.1898]\n", + " PeriodicSite: S (10.96, 1.718, 14.29) [0.5397, 0.08457, 0.7034]\n", + " PeriodicSite: S (10.92, 12.0, 3.983) [0.5374, 0.5908, 0.1961]\n", + " PeriodicSite: S (11.29, 11.4, 14.47) [0.5558, 0.5614, 0.7121]\n", + " PeriodicSite: S (6.023, 3.636, 6.228) [0.2965, 0.179, 0.3066]\n", + " PeriodicSite: S (6.457, 4.243, 16.29) [0.3179, 0.2089, 0.8019]\n", + " PeriodicSite: S (6.341, 13.77, 6.193) [0.3122, 0.6778, 0.3049]\n", + " PeriodicSite: S (5.9, 13.92, 16.7) [0.2904, 0.6854, 0.8221]\n", + " PeriodicSite: S (16.25, 3.735, 6.382) [0.8, 0.1839, 0.3142]\n", + " PeriodicSite: S (16.06, 3.696, 16.42) [0.7907, 0.182, 0.8084]\n", + " PeriodicSite: S (16.46, 14.04, 6.116) [0.8102, 0.6912, 0.3011]\n", + " PeriodicSite: S (16.75, 14.31, 16.46) [0.8248, 0.7043, 0.8102]\n", + " PeriodicSite: S (7.183, 2.588, 12.64) [0.3536, 0.1274, 0.6222]\n", + " PeriodicSite: S (7.548, 12.34, 2.52) [0.3716, 0.6077, 0.1241]\n", + " PeriodicSite: S (17.8, 2.383, 2.443) [0.8765, 0.1173, 0.1203]\n", + " PeriodicSite: S (17.67, 12.75, 2.384) [0.8698, 0.6275, 0.1174]\n", + " PeriodicSite: S (17.58, 12.56, 12.64) [0.8656, 0.6182, 0.6222]\n", + " PeriodicSite: S (4.089, 9.165, 8.912) [0.2013, 0.4512, 0.4387]\n", + " PeriodicSite: S (3.668, 8.856, 19.14) [0.1806, 0.436, 0.9424]\n", + " PeriodicSite: S (4.058, 18.87, 8.929) [0.1998, 0.9291, 0.4396]\n", + " PeriodicSite: S (3.744, 19.08, 19.32) [0.1843, 0.9391, 0.951]\n", + " PeriodicSite: S (14.05, 8.775, 8.561) [0.6918, 0.432, 0.4215]\n", + " PeriodicSite: S (13.8, 8.862, 18.97) [0.6794, 0.4363, 0.9339]\n", + " PeriodicSite: S (14.38, 19.08, 8.566) [0.7078, 0.9392, 0.4217]\n", + " PeriodicSite: S (13.81, 19.2, 19.17) [0.6797, 0.9452, 0.9437]\n", + " PeriodicSite: S (9.119, 6.226, 1.483) [0.4489, 0.3065, 0.07302]\n", + " PeriodicSite: S (8.727, 6.275, 11.48) [0.4297, 0.3089, 0.5654]\n", + " PeriodicSite: S (9.101, 16.78, 1.466) [0.448, 0.8263, 0.07219]\n", + " PeriodicSite: S (9.231, 15.93, 11.76) [0.4544, 0.7843, 0.5792]\n", + " PeriodicSite: S (19.16, 6.545, 1.396) [0.9431, 0.3222, 0.06874]\n", + " PeriodicSite: S (18.93, 6.682, 11.32) [0.9319, 0.3289, 0.5575]\n", + " PeriodicSite: S (19.29, 16.53, 1.182) [0.9497, 0.8139, 0.0582]\n", + " PeriodicSite: S (19.24, 16.48, 10.95) [0.9474, 0.8111, 0.5391]\n", + " PeriodicSite: S (1.042, 6.068, 9.058) [0.05132, 0.2988, 0.4459]\n", + " PeriodicSite: S (1.2, 6.478, 19.25) [0.05909, 0.3189, 0.9475]\n", + " PeriodicSite: S (1.204, 16.28, 8.703) [0.05925, 0.8013, 0.4285]\n", + " PeriodicSite: S (1.558, 16.89, 19.59) [0.0767, 0.8315, 0.9642]\n", + " PeriodicSite: S (10.99, 6.431, 8.941) [0.5411, 0.3166, 0.4402]\n", + " PeriodicSite: S (11.07, 5.861, 18.94) [0.5448, 0.2885, 0.9324]\n", + " PeriodicSite: S (11.57, 16.2, 9.18) [0.5698, 0.7976, 0.4519]\n", + " PeriodicSite: S (11.52, 16.56, 19.14) [0.5672, 0.8152, 0.9425]\n", + " PeriodicSite: S (5.756, 9.049, 1.27) [0.2834, 0.4455, 0.06252]\n", + " PeriodicSite: S (6.437, 9.14, 11.25) [0.3169, 0.45, 0.5537]\n", + " PeriodicSite: S (6.148, 19.1, 1.36) [0.3027, 0.9405, 0.06696]\n", + " PeriodicSite: S (6.424, 18.81, 11.41) [0.3163, 0.9261, 0.5617]\n", + " PeriodicSite: S (16.18, 8.69, 1.076) [0.7964, 0.4278, 0.05299]\n", + " PeriodicSite: S (16.33, 8.572, 11.13) [0.8039, 0.422, 0.5481]\n", + " PeriodicSite: S (16.35, 18.86, 0.9727) [0.8051, 0.9284, 0.04789]\n", + " PeriodicSite: S (16.41, 18.81, 11.2) [0.8079, 0.9258, 0.5516]\n", + " PeriodicSite: S (7.445, 7.656, 17.77) [0.3665, 0.3769, 0.875]\n", + " PeriodicSite: S (7.911, 17.43, 8.011) [0.3895, 0.858, 0.3944]\n", + " PeriodicSite: S (17.65, 7.859, 7.827) [0.8689, 0.3869, 0.3853]\n", + " PeriodicSite: S (17.72, 17.95, 7.588) [0.8722, 0.8839, 0.3736]\n", + " PeriodicSite: P (5.079, 20.13, 0.05485) [0.25, 0.991, 0.002703]\n", + " PeriodicSite: P (5.158, 19.99, 10.31) [0.2539, 0.9841, 0.5078]\n", + " PeriodicSite: P (4.602, 10.18, 20.25) [0.2265, 0.5011, 0.997]\n", + " PeriodicSite: P (5.201, 10.37, 10.21) [0.256, 0.5107, 0.5027]\n", + " PeriodicSite: P (15.15, 20.23, 20.29) [0.7459, 0.9962, 0.9991]\n", + " PeriodicSite: P (15.41, 20.28, 9.998) [0.7585, 0.9983, 0.4922]\n", + " PeriodicSite: P (14.96, 9.852, 20.26) [0.7363, 0.485, 0.9975]\n", + " PeriodicSite: P (15.1, 9.734, 10.03) [0.7436, 0.4792, 0.494]\n", + " PeriodicSite: P (5.414, 5.128, 5.062) [0.2665, 0.2525, 0.2492]\n", + " PeriodicSite: P (4.954, 5.135, 15.08) [0.2439, 0.2528, 0.7422]\n", + " PeriodicSite: P (5.296, 15.12, 5.025) [0.2607, 0.7446, 0.2474]\n", + " PeriodicSite: P (5.183, 15.36, 15.35) [0.2552, 0.7562, 0.7558]\n", + " PeriodicSite: P (15.33, 4.87, 4.944) [0.7548, 0.2398, 0.2434]\n", + " PeriodicSite: P (14.95, 4.971, 15.39) [0.7358, 0.2447, 0.7575]\n", + " PeriodicSite: P (15.35, 15.23, 4.889) [0.7556, 0.7497, 0.2407]\n", + " PeriodicSite: P (15.22, 15.21, 15.39) [0.7493, 0.7489, 0.7575]\n", + " PeriodicSite: P (0.1195, 0.3123, 4.676) [0.005885, 0.01538, 0.2302]\n", + " PeriodicSite: P (0.2026, 0.186, 15.36) [0.009979, 0.009158, 0.7563]\n", + " PeriodicSite: P (0.001677, 10.12, 5.22) [7.933e-05, 0.4983, 0.257]\n", + " PeriodicSite: P (0.06862, 10.17, 15.32) [0.003378, 0.5008, 0.7542]\n", + " PeriodicSite: P (10.3, 20.26, 5.048) [0.5071, 0.9974, 0.2485]\n", + " PeriodicSite: P (9.925, 0.13, 15.11) [0.4886, 0.006398, 0.744]\n", + " PeriodicSite: P (10.3, 10.32, 5.102) [0.5069, 0.5081, 0.2512]\n", + " PeriodicSite: P (10.16, 10.05, 15.59) [0.5002, 0.4947, 0.7676]\n", + " PeriodicSite: P (20.3, 5.426, 0.1652) [0.9996, 0.2671, 0.008141]\n", + " PeriodicSite: P (19.98, 5.084, 10.2) [0.9836, 0.2503, 0.502]\n", + " PeriodicSite: P (0.1641, 15.53, 20.27) [0.008077, 0.7645, 0.9979]\n", + " PeriodicSite: P (20.27, 15.14, 9.934) [0.9978, 0.7452, 0.4891]\n", + " PeriodicSite: P (10.01, 4.873, 0.07183) [0.4928, 0.2399, 0.003539]\n", + " PeriodicSite: P (9.721, 5.063, 10.07) [0.4786, 0.2493, 0.496]\n", + " PeriodicSite: P (10.18, 15.71, 0.07876) [0.5014, 0.7733, 0.003882]\n", + " PeriodicSite: P (10.49, 14.91, 10.35) [0.5163, 0.734, 0.5093],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.2044, 6.808, 3.737) [0.01006, 0.3352, 0.184]\n", + " PeriodicSite: Li (0.9796, 3.521, 16.07) [0.04823, 0.1733, 0.791]\n", + " PeriodicSite: Li (0.4467, 12.78, 7.543) [0.02199, 0.6291, 0.3713]\n", + " PeriodicSite: Li (0.1821, 13.31, 17.07) [0.008963, 0.6553, 0.8406]\n", + " PeriodicSite: Li (15.01, 1.104, 6.731) [0.7392, 0.05435, 0.3314]\n", + " PeriodicSite: Li (11.95, 4.422, 16.71) [0.5885, 0.2177, 0.8224]\n", + " PeriodicSite: Li (15.5, 12.2, 4.556) [0.7631, 0.6009, 0.2243]\n", + " PeriodicSite: Li (16.88, 7.962, 15.49) [0.831, 0.392, 0.7625]\n", + " PeriodicSite: Li (4.058, 4.839, 8.25) [0.1998, 0.2382, 0.4062]\n", + " PeriodicSite: Li (2.262, 0.5574, 19.11) [0.1114, 0.02744, 0.9406]\n", + " PeriodicSite: Li (3.408, 8.209, 5.209) [0.1678, 0.4041, 0.2564]\n", + " PeriodicSite: Li (6.936, 9.85, 17.22) [0.3415, 0.4849, 0.8475]\n", + " PeriodicSite: Li (12.13, 4.571, 6.756) [0.5971, 0.225, 0.3326]\n", + " PeriodicSite: Li (12.41, 0.3847, 19.77) [0.6109, 0.01894, 0.9735]\n", + " PeriodicSite: Li (11.18, 9.85, 12.23) [0.5506, 0.4849, 0.6019]\n", + " PeriodicSite: Li (9.484, 17.99, 18.04) [0.4669, 0.8859, 0.8881]\n", + " PeriodicSite: Li (5.196, 1.229, 7.203) [0.2558, 0.06052, 0.3546]\n", + " PeriodicSite: Li (3.188, 19.85, 13.19) [0.1569, 0.9774, 0.6496]\n", + " PeriodicSite: Li (3.612, 10.5, 7.343) [0.1778, 0.5168, 0.3615]\n", + " PeriodicSite: Li (6.812, 10.11, 13.7) [0.3354, 0.4978, 0.6744]\n", + " PeriodicSite: Li (12.37, 0.5814, 8.926) [0.6089, 0.02862, 0.4394]\n", + " PeriodicSite: Li (10.0, 2.064, 18.42) [0.4923, 0.1016, 0.9069]\n", + " PeriodicSite: Li (14.78, 14.99, 8.007) [0.7277, 0.738, 0.3942]\n", + " PeriodicSite: Li (11.78, 10.49, 18.99) [0.58, 0.5166, 0.9349]\n", + " PeriodicSite: Li (0.4726, 3.972, 7.698) [0.02327, 0.1956, 0.379]\n", + " PeriodicSite: Li (20.22, 2.223, 18.61) [0.9956, 0.1094, 0.916]\n", + " PeriodicSite: Li (2.393, 14.72, 6.262) [0.1178, 0.7247, 0.3083]\n", + " PeriodicSite: Li (3.632, 15.25, 18.37) [0.1788, 0.7509, 0.9044]\n", + " PeriodicSite: Li (12.82, 2.025, 5.176) [0.631, 0.09969, 0.2548]\n", + " PeriodicSite: Li (12.62, 0.5117, 15.99) [0.6211, 0.02519, 0.7873]\n", + " PeriodicSite: Li (11.32, 12.04, 8.616) [0.5573, 0.5926, 0.4242]\n", + " PeriodicSite: Li (16.8, 16.51, 19.65) [0.827, 0.8129, 0.9674]\n", + " PeriodicSite: Li (7.203, 0.537, 4.654) [0.3546, 0.02643, 0.2291]\n", + " PeriodicSite: Li (1.203, 19.04, 1.341) [0.0592, 0.9372, 0.066]\n", + " PeriodicSite: Li (3.023, 13.89, 9.641) [0.1488, 0.684, 0.4746]\n", + " PeriodicSite: Li (1.501, 17.51, 14.74) [0.0739, 0.8619, 0.7256]\n", + " PeriodicSite: Li (14.88, 3.847, 7.853) [0.7328, 0.1894, 0.3866]\n", + " PeriodicSite: Li (14.75, 2.965, 18.93) [0.7261, 0.146, 0.9321]\n", + " PeriodicSite: Li (17.7, 15.41, 8.014) [0.8716, 0.7587, 0.3945]\n", + " PeriodicSite: Li (10.02, 13.34, 17.49) [0.4934, 0.6567, 0.861]\n", + " PeriodicSite: Li (5.148, 2.303, 3.541) [0.2535, 0.1134, 0.1743]\n", + " PeriodicSite: Li (3.298, 1.841, 15.9) [0.1624, 0.09061, 0.7828]\n", + " PeriodicSite: Li (4.586, 12.22, 5.732) [0.2258, 0.6018, 0.2822]\n", + " PeriodicSite: Li (18.48, 13.97, 4.664) [0.9096, 0.6879, 0.2296]\n", + " PeriodicSite: Li (10.7, 2.253, 8.567) [0.5269, 0.1109, 0.4218]\n", + " PeriodicSite: Li (17.03, 0.2879, 16.46) [0.8386, 0.01417, 0.8103]\n", + " PeriodicSite: Li (13.08, 9.583, 3.763) [0.6439, 0.4718, 0.1853]\n", + " PeriodicSite: Li (14.76, 8.802, 17.15) [0.7265, 0.4333, 0.8442]\n", + " PeriodicSite: Li (2.802, 12.32, 15.44) [0.1379, 0.6063, 0.7599]\n", + " PeriodicSite: Li (2.356, 10.84, 9.816) [0.116, 0.5339, 0.4833]\n", + " PeriodicSite: Li (0.6384, 16.37, 2.875) [0.03142, 0.8058, 0.1415]\n", + " PeriodicSite: Li (1.496, 0.4623, 7.906) [0.07366, 0.02276, 0.3892]\n", + " PeriodicSite: Li (10.52, 5.524, 2.69) [0.5178, 0.2719, 0.1324]\n", + " PeriodicSite: Li (11.98, 7.668, 14.72) [0.5896, 0.3775, 0.7247]\n", + " PeriodicSite: Li (12.03, 13.62, 5.438) [0.5922, 0.6705, 0.2677]\n", + " PeriodicSite: Li (13.63, 1.513, 13.46) [0.6712, 0.07446, 0.6626]\n", + " PeriodicSite: Li (3.13, 6.686, 0.644) [0.1541, 0.3292, 0.0317]\n", + " PeriodicSite: Li (2.555, 5.034, 11.57) [0.1258, 0.2478, 0.5696]\n", + " PeriodicSite: Li (6.766, 16.66, 19.92) [0.3331, 0.8202, 0.9808]\n", + " PeriodicSite: Li (3.552, 19.63, 16.98) [0.1749, 0.9662, 0.8359]\n", + " PeriodicSite: Li (13.53, 4.505, 1.411) [0.6661, 0.2218, 0.06946]\n", + " PeriodicSite: Li (11.24, 5.621, 12.79) [0.5532, 0.2767, 0.6297]\n", + " PeriodicSite: Li (13.14, 18.4, 5.024) [0.6471, 0.906, 0.2473]\n", + " PeriodicSite: Li (10.24, 17.97, 13.46) [0.5042, 0.8845, 0.6629]\n", + " PeriodicSite: Li (3.984, 9.958, 17.31) [0.1961, 0.4902, 0.8524]\n", + " PeriodicSite: Li (4.293, 7.593, 11.2) [0.2113, 0.3738, 0.5513]\n", + " PeriodicSite: Li (5.166, 18.33, 3.48) [0.2543, 0.9024, 0.1713]\n", + " PeriodicSite: Li (2.926, 16.83, 10.61) [0.1441, 0.8286, 0.5224]\n", + " PeriodicSite: Li (10.33, 8.404, 1.573) [0.5085, 0.4137, 0.07744]\n", + " PeriodicSite: Li (14.27, 5.883, 12.3) [0.7027, 0.2896, 0.6057]\n", + " PeriodicSite: Li (10.61, 15.9, 2.861) [0.5225, 0.7827, 0.1408]\n", + " PeriodicSite: Li (13.39, 15.09, 12.34) [0.6593, 0.743, 0.6075]\n", + " PeriodicSite: Li (0.2062, 8.708, 1.628) [0.01015, 0.4287, 0.08013]\n", + " PeriodicSite: Li (16.9, 5.914, 9.738) [0.8322, 0.2911, 0.4794]\n", + " PeriodicSite: Li (2.883, 17.68, 5.107) [0.1419, 0.8702, 0.2514]\n", + " PeriodicSite: Li (0.435, 18.23, 12.42) [0.02141, 0.8974, 0.6116]\n", + " PeriodicSite: Li (11.25, 7.419, 4.666) [0.5539, 0.3652, 0.2297]\n", + " PeriodicSite: Li (13.3, 10.96, 15.46) [0.6546, 0.5397, 0.7609]\n", + " PeriodicSite: Li (13.48, 15.36, 1.949) [0.6635, 0.7563, 0.09593]\n", + " PeriodicSite: Li (12.26, 14.96, 15.73) [0.6037, 0.7364, 0.7745]\n", + " PeriodicSite: Li (5.885, 7.986, 6.062) [0.2897, 0.3931, 0.2985]\n", + " PeriodicSite: Li (19.6, 12.07, 10.96) [0.965, 0.5943, 0.5395]\n", + " PeriodicSite: Li (19.68, 17.66, 5.719) [0.9689, 0.8696, 0.2815]\n", + " PeriodicSite: Li (5.551, 17.75, 15.09) [0.2733, 0.8738, 0.7431]\n", + " PeriodicSite: Li (16.44, 10.5, 2.709) [0.8093, 0.5168, 0.1334]\n", + " PeriodicSite: Li (13.27, 7.205, 10.37) [0.6534, 0.3547, 0.5103]\n", + " PeriodicSite: Li (13.61, 17.54, 0.1322) [0.6699, 0.8636, 0.006513]\n", + " PeriodicSite: Li (12.77, 17.91, 10.58) [0.6287, 0.8819, 0.521]\n", + " PeriodicSite: Li (3.406, 3.556, 0.2556) [0.1677, 0.1751, 0.01258]\n", + " PeriodicSite: Li (3.296, 9.924, 13.39) [0.1623, 0.4885, 0.6592]\n", + " PeriodicSite: Li (3.014, 19.97, 3.014) [0.1484, 0.9833, 0.1484]\n", + " PeriodicSite: Li (2.168, 15.3, 13.36) [0.1067, 0.7531, 0.6576]\n", + " PeriodicSite: Li (14.84, 7.928, 2.83) [0.7305, 0.3903, 0.1394]\n", + " PeriodicSite: Li (14.34, 9.014, 13.1) [0.7058, 0.4438, 0.6449]\n", + " PeriodicSite: Li (14.86, 18.14, 2.904) [0.7317, 0.8928, 0.143]\n", + " PeriodicSite: Li (18.65, 4.425, 13.12) [0.9184, 0.2179, 0.6458]\n", + " PeriodicSite: Li (9.598, 2.249, 2.893) [0.4725, 0.1107, 0.1424]\n", + " PeriodicSite: Li (9.263, 1.468, 11.79) [0.456, 0.07226, 0.5805]\n", + " PeriodicSite: Li (6.743, 10.65, 3.79) [0.3319, 0.5245, 0.1866]\n", + " PeriodicSite: Li (7.346, 12.4, 15.24) [0.3617, 0.6103, 0.7505]\n", + " PeriodicSite: Li (18.98, 3.086, 4.338) [0.9342, 0.1519, 0.2136]\n", + " PeriodicSite: Li (13.13, 3.498, 9.598) [0.6464, 0.1722, 0.4725]\n", + " PeriodicSite: Li (19.31, 12.37, 1.237) [0.9508, 0.6092, 0.06088]\n", + " PeriodicSite: Li (17.34, 10.49, 13.42) [0.8535, 0.5163, 0.6608]\n", + " PeriodicSite: Li (6.18, 17.98, 6.121) [0.3043, 0.885, 0.3014]\n", + " PeriodicSite: Li (8.76, 3.01, 14.42) [0.4313, 0.1482, 0.71]\n", + " PeriodicSite: Li (5.58, 13.63, 19.05) [0.2747, 0.6709, 0.9381]\n", + " PeriodicSite: Li (10.13, 13.33, 13.32) [0.4989, 0.6561, 0.6557]\n", + " PeriodicSite: Li (13.31, 20.0, 2.945) [0.6552, 0.9846, 0.145]\n", + " PeriodicSite: Li (19.03, 1.871, 10.75) [0.937, 0.09213, 0.5292]\n", + " PeriodicSite: Li (17.32, 15.14, 2.022) [0.8525, 0.7452, 0.09953]\n", + " PeriodicSite: Li (16.73, 15.65, 12.11) [0.8238, 0.7704, 0.5962]\n", + " PeriodicSite: Li (8.3, 4.76, 6.224) [0.4086, 0.2344, 0.3064]\n", + " PeriodicSite: Li (6.136, 0.3589, 12.86) [0.3021, 0.01767, 0.6329]\n", + " PeriodicSite: Li (9.684, 12.17, 1.985) [0.4767, 0.5993, 0.09772]\n", + " PeriodicSite: Li (5.563, 13.26, 11.5) [0.2739, 0.6527, 0.5662]\n", + " PeriodicSite: Li (19.82, 2.588, 1.183) [0.9759, 0.1274, 0.05823]\n", + " PeriodicSite: Li (20.27, 8.188, 12.02) [0.9977, 0.4031, 0.5916]\n", + " PeriodicSite: Li (15.3, 13.18, 1.76) [0.753, 0.649, 0.08664]\n", + " PeriodicSite: Li (15.43, 11.98, 13.29) [0.7596, 0.5896, 0.654]\n", + " PeriodicSite: Li (3.146, 1.278, 5.385) [0.1549, 0.0629, 0.2651]\n", + " PeriodicSite: Li (6.497, 2.36, 14.91) [0.3199, 0.1162, 0.7338]\n", + " PeriodicSite: Li (5.146, 12.97, 1.729) [0.2534, 0.6385, 0.08512]\n", + " PeriodicSite: Li (8.102, 6.391, 15.59) [0.3988, 0.3146, 0.7674]\n", + " PeriodicSite: Li (16.91, 4.812, 2.268) [0.8327, 0.2369, 0.1117]\n", + " PeriodicSite: Li (15.17, 19.06, 13.38) [0.7467, 0.9383, 0.6589]\n", + " PeriodicSite: Li (12.92, 14.95, 18.83) [0.6361, 0.7359, 0.9269]\n", + " PeriodicSite: Li (17.11, 13.44, 10.52) [0.8424, 0.6616, 0.5178]\n", + " PeriodicSite: Li (6.49, 3.655, 0.6751) [0.3195, 0.1799, 0.03324]\n", + " PeriodicSite: Li (4.884, 3.253, 12.21) [0.2405, 0.1601, 0.6013]\n", + " PeriodicSite: Li (7.421, 10.77, 0.6404) [0.3654, 0.5304, 0.03153]\n", + " PeriodicSite: Li (8.896, 11.73, 10.87) [0.4379, 0.5776, 0.535]\n", + " PeriodicSite: Li (15.41, 1.351, 3.136) [0.7587, 0.06648, 0.1544]\n", + " PeriodicSite: Li (16.08, 3.12, 10.72) [0.7917, 0.1536, 0.5278]\n", + " PeriodicSite: Li (1.579, 10.58, 18.69) [0.07774, 0.5207, 0.9203]\n", + " PeriodicSite: Li (18.6, 13.68, 14.46) [0.9155, 0.6736, 0.7117]\n", + " PeriodicSite: Li (8.078, 0.5434, 0.9407) [0.3977, 0.02675, 0.04631]\n", + " PeriodicSite: Li (6.704, 3.225, 10.31) [0.3301, 0.1588, 0.5078]\n", + " PeriodicSite: Li (8.144, 12.88, 4.804) [0.4009, 0.6342, 0.2365]\n", + " PeriodicSite: Li (5.071, 16.53, 12.02) [0.2496, 0.8137, 0.5918]\n", + " PeriodicSite: Li (16.39, 2.783, 0.7629) [0.8067, 0.137, 0.03756]\n", + " PeriodicSite: Li (1.905, 7.178, 14.95) [0.0938, 0.3534, 0.7359]\n", + " PeriodicSite: Li (5.231, 13.55, 8.118) [0.2575, 0.6671, 0.3997]\n", + " PeriodicSite: Li (14.4, 12.81, 9.965) [0.7087, 0.6307, 0.4906]\n", + " PeriodicSite: Li (13.89, 10.14, 6.777) [0.684, 0.4993, 0.3337]\n", + " PeriodicSite: Li (5.577, 8.114, 15.86) [0.2746, 0.3995, 0.781]\n", + " PeriodicSite: Li (7.602, 15.86, 10.11) [0.3743, 0.7808, 0.4979]\n", + " PeriodicSite: Li (3.709, 17.51, 0.7502) [0.1826, 0.8619, 0.03694]\n", + " PeriodicSite: Li (17.44, 10.27, 6.959) [0.8588, 0.5055, 0.3426]\n", + " PeriodicSite: Li (3.053, 5.359, 18.4) [0.1503, 0.2638, 0.9059]\n", + " PeriodicSite: Li (17.48, 0.1317, 3.841) [0.8605, 0.006477, 0.1891]\n", + " PeriodicSite: Li (19.79, 17.35, 18.12) [0.9742, 0.8541, 0.8921]\n", + " PeriodicSite: Li (7.091, 10.25, 7.541) [0.3491, 0.5046, 0.3712]\n", + " PeriodicSite: Li (7.096, 5.468, 18.21) [0.3494, 0.2692, 0.8966]\n", + " PeriodicSite: Li (8.303, 19.85, 8.02) [0.4088, 0.977, 0.3949]\n", + " PeriodicSite: Li (7.869, 15.51, 17.05) [0.3874, 0.7637, 0.8396]\n", + " PeriodicSite: Li (18.26, 8.952, 9.546) [0.899, 0.4407, 0.47]\n", + " PeriodicSite: Li (17.08, 6.688, 19.82) [0.841, 0.3292, 0.9758]\n", + " PeriodicSite: Li (18.28, 20.15, 7.808) [0.9, 0.992, 0.3844]\n", + " PeriodicSite: Li (18.09, 16.87, 15.47) [0.8907, 0.8305, 0.7618]\n", + " PeriodicSite: Li (6.855, 7.094, 10.18) [0.3375, 0.3493, 0.5009]\n", + " PeriodicSite: Li (5.006, 3.074, 18.17) [0.2464, 0.1513, 0.8944]\n", + " PeriodicSite: Li (9.722, 17.84, 9.673) [0.4786, 0.8781, 0.4762]\n", + " PeriodicSite: Li (16.63, 11.72, 16.49) [0.8187, 0.5772, 0.8116]\n", + " PeriodicSite: Li (20.27, 7.388, 7.506) [0.9981, 0.3637, 0.3696]\n", + " PeriodicSite: Li (18.34, 5.339, 17.51) [0.9029, 0.2628, 0.8621]\n", + " PeriodicSite: Li (16.29, 17.55, 9.293) [0.8021, 0.8639, 0.4575]\n", + " PeriodicSite: Li (15.57, 13.61, 18.58) [0.7665, 0.6702, 0.9148]\n", + " PeriodicSite: Li (9.918, 8.047, 8.933) [0.4883, 0.3962, 0.4398]\n", + " PeriodicSite: Li (5.948, 6.373, 2.05) [0.2928, 0.3138, 0.1009]\n", + " PeriodicSite: Li (5.176, 17.15, 8.856) [0.2548, 0.8443, 0.436]\n", + " PeriodicSite: Li (7.194, 14.66, 1.375) [0.3542, 0.7217, 0.06772]\n", + " PeriodicSite: Li (15.14, 7.257, 8.254) [0.7455, 0.3573, 0.4064]\n", + " PeriodicSite: Li (20.19, 7.384, 17.49) [0.994, 0.3635, 0.8611]\n", + " PeriodicSite: Li (16.3, 17.94, 5.856) [0.8027, 0.8834, 0.2883]\n", + " PeriodicSite: Li (15.07, 18.38, 15.97) [0.7417, 0.9048, 0.7864]\n", + " PeriodicSite: Li (6.685, 5.171, 12.44) [0.3291, 0.2546, 0.6127]\n", + " PeriodicSite: Li (5.304, 7.213, 18.96) [0.2611, 0.3551, 0.9334]\n", + " PeriodicSite: Li (8.996, 17.25, 5.63) [0.4429, 0.8493, 0.2772]\n", + " PeriodicSite: Li (10.67, 18.5, 1.889) [0.5251, 0.9108, 0.093]\n", + " PeriodicSite: Li (16.96, 8.129, 5.465) [0.8351, 0.4002, 0.269]\n", + " PeriodicSite: Li (13.95, 6.073, 18.88) [0.6867, 0.299, 0.9294]\n", + " PeriodicSite: Li (19.26, 17.7, 9.19) [0.9483, 0.8716, 0.4524]\n", + " PeriodicSite: Li (18.11, 0.04612, 1.291) [0.8914, 0.002262, 0.06354]\n", + " PeriodicSite: Li (3.73, 10.23, 3.15) [0.1836, 0.5037, 0.1551]\n", + " PeriodicSite: Li (9.404, 7.731, 17.96) [0.463, 0.3806, 0.884]\n", + " PeriodicSite: Li (7.961, 15.27, 7.256) [0.3919, 0.7517, 0.3572]\n", + " PeriodicSite: Li (6.793, 0.008124, 16.7) [0.3344, 0.0003982, 0.8223]\n", + " PeriodicSite: Li (17.77, 5.609, 6.982) [0.8751, 0.2761, 0.3437]\n", + " PeriodicSite: Li (18.08, 9.815, 18.51) [0.8903, 0.4832, 0.9115]\n", + " PeriodicSite: Li (2.632, 15.25, 1.775) [0.1296, 0.7507, 0.08738]\n", + " PeriodicSite: Li (15.8, 2.287, 14.66) [0.7778, 0.1126, 0.7216]\n", + " PeriodicSite: Cl (7.88, 12.02, 12.91) [0.388, 0.5915, 0.6354]\n", + " PeriodicSite: Cl (2.447, 12.62, 17.61) [0.1204, 0.6214, 0.8668]\n", + " PeriodicSite: Cl (13.03, 17.51, 12.75) [0.6414, 0.8621, 0.6275]\n", + " PeriodicSite: Cl (17.79, 7.702, 17.84) [0.8758, 0.3792, 0.8784]\n", + " PeriodicSite: Cl (7.384, 2.299, 2.275) [0.3635, 0.1132, 0.112]\n", + " PeriodicSite: Cl (7.833, 7.636, 8.004) [0.3856, 0.3759, 0.394]\n", + " PeriodicSite: Cl (13.12, 12.76, 7.243) [0.6461, 0.6281, 0.3566]\n", + " PeriodicSite: Cl (2.291, 7.913, 2.605) [0.1128, 0.3896, 0.1282]\n", + " PeriodicSite: Cl (2.285, 7.862, 12.46) [0.1125, 0.3871, 0.6132]\n", + " PeriodicSite: Cl (12.34, 12.89, 18.0) [0.6074, 0.6345, 0.8861]\n", + " PeriodicSite: Cl (17.53, 18.0, 17.61) [0.8629, 0.8862, 0.8671]\n", + " PeriodicSite: Cl (2.707, 2.354, 7.362) [0.1333, 0.1159, 0.3625]\n", + " PeriodicSite: Cl (12.25, 2.201, 17.71) [0.603, 0.1084, 0.8717]\n", + " PeriodicSite: Cl (12.44, 7.246, 2.643) [0.6124, 0.3567, 0.1301]\n", + " PeriodicSite: Cl (17.23, 2.697, 12.57) [0.8482, 0.1328, 0.6188]\n", + " PeriodicSite: Cl (7.125, 17.76, 17.75) [0.3508, 0.8745, 0.8738]\n", + " PeriodicSite: Cl (20.27, 0.4833, 20.28) [0.9979, 0.02379, 0.9982]\n", + " PeriodicSite: Cl (20.04, 0.04356, 9.41) [0.9867, 0.002136, 0.4632]\n", + " PeriodicSite: Cl (20.03, 10.19, 20.17) [0.986, 0.5017, 0.9928]\n", + " PeriodicSite: Cl (20.3, 9.882, 10.25) [0.9992, 0.4865, 0.5045]\n", + " PeriodicSite: Cl (10.11, 20.28, 19.91) [0.4978, 0.9983, 0.9802]\n", + " PeriodicSite: Cl (10.47, 20.23, 9.853) [0.5154, 0.9962, 0.4851]\n", + " PeriodicSite: Cl (9.818, 10.22, 0.4033) [0.4834, 0.5034, 0.01986]\n", + " PeriodicSite: Cl (10.53, 10.24, 10.06) [0.5185, 0.504, 0.4951]\n", + " PeriodicSite: Cl (19.94, 5.54, 5.876) [0.9816, 0.2727, 0.2893]\n", + " PeriodicSite: Cl (0.08527, 5.759, 15.89) [0.0042, 0.2835, 0.7823]\n", + " PeriodicSite: Cl (0.6483, 15.71, 5.1) [0.03191, 0.7736, 0.2511]\n", + " PeriodicSite: Cl (20.3, 15.37, 15.22) [0.9996, 0.7566, 0.7493]\n", + " PeriodicSite: Cl (10.54, 5.189, 4.956) [0.5189, 0.2555, 0.244]\n", + " PeriodicSite: Cl (10.07, 5.197, 15.37) [0.4956, 0.2558, 0.7565]\n", + " PeriodicSite: Cl (10.67, 15.62, 5.29) [0.5255, 0.769, 0.2604]\n", + " PeriodicSite: Cl (9.867, 14.82, 15.58) [0.4858, 0.7297, 0.7671]\n", + " PeriodicSite: S (4.839, 20.13, 4.934) [0.2382, 0.9912, 0.2429]\n", + " PeriodicSite: S (4.965, 0.07202, 15.19) [0.2445, 0.003544, 0.7479]\n", + " PeriodicSite: S (5.227, 10.03, 5.523) [0.2573, 0.4939, 0.2719]\n", + " PeriodicSite: S (5.289, 10.55, 15.37) [0.2604, 0.5193, 0.7567]\n", + " PeriodicSite: S (15.03, 19.91, 4.572) [0.7401, 0.9802, 0.2251]\n", + " PeriodicSite: S (14.87, 0.229, 15.05) [0.732, 0.01127, 0.7408]\n", + " PeriodicSite: S (15.49, 9.85, 4.685) [0.7627, 0.4849, 0.2307]\n", + " PeriodicSite: S (15.41, 10.12, 15.07) [0.7586, 0.4984, 0.7418]\n", + " PeriodicSite: S (5.095, 5.36, 20.28) [0.2508, 0.2639, 0.9986]\n", + " PeriodicSite: S (5.02, 5.162, 10.51) [0.2471, 0.2541, 0.5176]\n", + " PeriodicSite: S (4.828, 15.32, 0.2101) [0.2377, 0.7543, 0.01035]\n", + " PeriodicSite: S (5.325, 15.16, 10.32) [0.2622, 0.7462, 0.5079]\n", + " PeriodicSite: S (15.47, 4.947, 0.3316) [0.7616, 0.2435, 0.01633]\n", + " PeriodicSite: S (14.88, 4.955, 10.0) [0.7327, 0.2439, 0.4924]\n", + " PeriodicSite: S (15.02, 15.2, 0.1076) [0.7395, 0.7484, 0.005304]\n", + " PeriodicSite: S (15.34, 15.34, 10.33) [0.7554, 0.7551, 0.5086]\n", + " PeriodicSite: S (8.882, 4.044, 8.705) [0.4373, 0.1991, 0.4286]\n", + " PeriodicSite: S (8.697, 3.508, 19.45) [0.4282, 0.1727, 0.9575]\n", + " PeriodicSite: S (9.326, 13.72, 9.283) [0.4591, 0.6753, 0.457]\n", + " PeriodicSite: S (8.606, 14.47, 19.17) [0.4237, 0.7124, 0.944]\n", + " PeriodicSite: S (18.58, 4.195, 9.118) [0.9145, 0.2065, 0.4489]\n", + " PeriodicSite: S (19.35, 4.122, 19.39) [0.9527, 0.2029, 0.9544]\n", + " PeriodicSite: S (19.14, 13.9, 9.021) [0.9421, 0.6845, 0.4441]\n", + " PeriodicSite: S (18.96, 14.56, 18.89) [0.9334, 0.7167, 0.93]\n", + " PeriodicSite: S (3.8, 1.159, 1.307) [0.1871, 0.05704, 0.06434]\n", + " PeriodicSite: S (4.073, 0.9863, 11.53) [0.2005, 0.04856, 0.5675]\n", + " PeriodicSite: S (3.203, 11.52, 1.102) [0.1577, 0.567, 0.05426]\n", + " PeriodicSite: S (4.014, 11.37, 11.61) [0.1976, 0.5597, 0.5716]\n", + " PeriodicSite: S (13.89, 0.9152, 1.048) [0.684, 0.04505, 0.05162]\n", + " PeriodicSite: S (14.12, 1.373, 10.93) [0.6953, 0.06759, 0.5379]\n", + " PeriodicSite: S (13.98, 10.89, 1.363) [0.6881, 0.536, 0.06712]\n", + " PeriodicSite: S (13.76, 11.2, 11.63) [0.6774, 0.5512, 0.5724]\n", + " PeriodicSite: S (6.4, 1.04, 9.026) [0.3151, 0.05122, 0.4444]\n", + " PeriodicSite: S (6.441, 1.518, 19.42) [0.3171, 0.07475, 0.9559]\n", + " PeriodicSite: S (6.495, 11.5, 9.508) [0.3197, 0.5661, 0.4681]\n", + " PeriodicSite: S (5.968, 11.24, 19.29) [0.2938, 0.5535, 0.9494]\n", + " PeriodicSite: S (16.57, 1.224, 8.865) [0.8156, 0.06027, 0.4364]\n", + " PeriodicSite: S (16.34, 1.289, 19.13) [0.8045, 0.06345, 0.9418]\n", + " PeriodicSite: S (16.34, 11.21, 9.322) [0.8043, 0.5518, 0.4589]\n", + " PeriodicSite: S (16.2, 11.36, 18.89) [0.7976, 0.5595, 0.9301]\n", + " PeriodicSite: S (1.441, 4.444, 1.443) [0.07096, 0.2188, 0.07103]\n", + " PeriodicSite: S (0.2252, 3.687, 11.79) [0.01109, 0.1815, 0.5804]\n", + " PeriodicSite: S (0.7466, 14.13, 1.223) [0.03675, 0.6958, 0.06023]\n", + " PeriodicSite: S (1.26, 13.85, 11.43) [0.06205, 0.682, 0.5629]\n", + " PeriodicSite: S (11.24, 3.645, 1.26) [0.5536, 0.1794, 0.06203]\n", + " PeriodicSite: S (10.93, 3.443, 11.33) [0.5379, 0.1695, 0.558]\n", + " PeriodicSite: S (11.12, 14.02, 0.8646) [0.5472, 0.6904, 0.04257]\n", + " PeriodicSite: S (11.87, 13.61, 11.28) [0.5845, 0.6698, 0.5551]\n", + " PeriodicSite: S (2.423, 2.784, 18.17) [0.1193, 0.137, 0.8944]\n", + " PeriodicSite: S (2.881, 12.75, 7.606) [0.1419, 0.6275, 0.3745]\n", + " PeriodicSite: S (12.88, 2.388, 7.377) [0.6342, 0.1176, 0.3632]\n", + " PeriodicSite: S (9.314, 9.091, 4.052) [0.4586, 0.4476, 0.1995]\n", + " PeriodicSite: S (9.041, 9.119, 14.36) [0.4451, 0.4489, 0.7069]\n", + " PeriodicSite: S (8.899, 19.34, 3.631) [0.4381, 0.952, 0.1788]\n", + " PeriodicSite: S (8.71, 19.69, 13.5) [0.4288, 0.9692, 0.6646]\n", + " PeriodicSite: S (19.07, 8.788, 4.074) [0.9389, 0.4326, 0.2006]\n", + " PeriodicSite: S (19.25, 8.965, 14.22) [0.9478, 0.4414, 0.7002]\n", + " PeriodicSite: S (19.62, 19.14, 3.273) [0.9661, 0.9425, 0.1611]\n", + " PeriodicSite: S (19.35, 19.25, 14.22) [0.9527, 0.9475, 0.7001]\n", + " PeriodicSite: S (3.966, 6.148, 6.144) [0.1952, 0.3026, 0.3025]\n", + " PeriodicSite: S (3.682, 6.454, 16.51) [0.1813, 0.3177, 0.8129]\n", + " PeriodicSite: S (4.412, 16.16, 6.607) [0.2172, 0.7955, 0.3253]\n", + " PeriodicSite: S (3.698, 16.48, 15.97) [0.1821, 0.8112, 0.7865]\n", + " PeriodicSite: S (14.22, 6.031, 6.302) [0.7001, 0.2969, 0.3102]\n", + " PeriodicSite: S (13.53, 6.452, 16.31) [0.6659, 0.3176, 0.803]\n", + " PeriodicSite: S (14.04, 16.41, 6.036) [0.6913, 0.8077, 0.2972]\n", + " PeriodicSite: S (13.98, 16.28, 16.85) [0.6881, 0.8017, 0.8294]\n", + " PeriodicSite: S (7.002, 6.423, 4.742) [0.3447, 0.3162, 0.2335]\n", + " PeriodicSite: S (5.73, 6.582, 13.85) [0.2821, 0.324, 0.682]\n", + " PeriodicSite: S (6.653, 16.41, 4.151) [0.3275, 0.808, 0.2044]\n", + " PeriodicSite: S (6.525, 15.97, 14.01) [0.3212, 0.7862, 0.6899]\n", + " PeriodicSite: S (16.23, 6.445, 3.756) [0.7991, 0.3173, 0.1849]\n", + " PeriodicSite: S (16.18, 6.211, 14.03) [0.7964, 0.3058, 0.6906]\n", + " PeriodicSite: S (16.59, 16.36, 4.103) [0.817, 0.8054, 0.202]\n", + " PeriodicSite: S (15.99, 16.78, 14.3) [0.7872, 0.8262, 0.7039]\n", + " PeriodicSite: S (1.165, 9.012, 6.438) [0.05735, 0.4437, 0.317]\n", + " PeriodicSite: S (1.462, 9.131, 16.37) [0.07196, 0.4495, 0.8062]\n", + " PeriodicSite: S (1.278, 19.19, 5.851) [0.0629, 0.9448, 0.2881]\n", + " PeriodicSite: S (1.087, 19.41, 17.01) [0.0535, 0.9553, 0.8375]\n", + " PeriodicSite: S (11.77, 9.016, 6.068) [0.5792, 0.4438, 0.2988]\n", + " PeriodicSite: S (11.35, 9.384, 16.84) [0.5587, 0.462, 0.8288]\n", + " PeriodicSite: S (11.29, 19.09, 6.34) [0.5558, 0.94, 0.3121]\n", + " PeriodicSite: S (10.75, 18.92, 15.81) [0.5294, 0.9315, 0.7784]\n", + " PeriodicSite: S (2.811, 17.5, 2.655) [0.1384, 0.8614, 0.1307]\n", + " PeriodicSite: S (2.738, 17.54, 12.71) [0.1348, 0.8634, 0.6256]\n", + " PeriodicSite: S (12.39, 7.443, 12.5) [0.61, 0.3664, 0.6154]\n", + " PeriodicSite: S (12.73, 17.58, 2.358) [0.6266, 0.8653, 0.1161]\n", + " PeriodicSite: S (4.555, 4.565, 3.267) [0.2243, 0.2247, 0.1609]\n", + " PeriodicSite: S (3.516, 3.954, 14.29) [0.1731, 0.1947, 0.7033]\n", + " PeriodicSite: S (4.005, 13.94, 4.208) [0.1972, 0.6863, 0.2071]\n", + " PeriodicSite: S (4.058, 13.68, 13.89) [0.1998, 0.6733, 0.684]\n", + " PeriodicSite: S (14.29, 3.641, 3.811) [0.7036, 0.1792, 0.1876]\n", + " PeriodicSite: S (13.71, 3.921, 14.09) [0.675, 0.193, 0.6938]\n", + " PeriodicSite: S (14.03, 13.88, 3.785) [0.6908, 0.6834, 0.1864]\n", + " PeriodicSite: S (14.01, 14.08, 14.42) [0.6895, 0.6931, 0.7099]\n", + " PeriodicSite: S (8.735, 1.058, 6.129) [0.43, 0.05208, 0.3017]\n", + " PeriodicSite: S (8.835, 1.378, 16.21) [0.4349, 0.06784, 0.7979]\n", + " PeriodicSite: S (9.26, 11.42, 6.619) [0.4559, 0.562, 0.3259]\n", + " PeriodicSite: S (8.902, 11.52, 16.76) [0.4382, 0.5674, 0.8249]\n", + " PeriodicSite: S (19.19, 1.118, 5.595) [0.9448, 0.05503, 0.2754]\n", + " PeriodicSite: S (19.16, 1.525, 16.52) [0.9435, 0.07508, 0.8133]\n", + " PeriodicSite: S (19.2, 11.47, 6.114) [0.9452, 0.5645, 0.301]\n", + " PeriodicSite: S (19.09, 11.29, 16.48) [0.9397, 0.5557, 0.8114]\n", + " PeriodicSite: S (1.53, 1.454, 3.494) [0.0753, 0.0716, 0.172]\n", + " PeriodicSite: S (1.388, 1.245, 14.4) [0.06833, 0.0613, 0.7089]\n", + " PeriodicSite: S (1.313, 11.03, 3.83) [0.06463, 0.5428, 0.1885]\n", + " PeriodicSite: S (1.195, 11.57, 14.06) [0.05883, 0.5695, 0.692]\n", + " PeriodicSite: S (11.34, 1.081, 3.729) [0.5584, 0.0532, 0.1836]\n", + " PeriodicSite: S (11.26, 1.371, 13.9) [0.5542, 0.0675, 0.6842]\n", + " PeriodicSite: S (11.18, 11.72, 3.924) [0.5506, 0.5768, 0.1932]\n", + " PeriodicSite: S (11.33, 11.43, 14.25) [0.5579, 0.5627, 0.7018]\n", + " PeriodicSite: S (6.04, 3.485, 6.096) [0.2973, 0.1716, 0.3001]\n", + " PeriodicSite: S (6.205, 4.242, 16.33) [0.3055, 0.2088, 0.8038]\n", + " PeriodicSite: S (6.513, 13.76, 6.18) [0.3207, 0.6773, 0.3042]\n", + " PeriodicSite: S (5.936, 14.3, 16.73) [0.2923, 0.7041, 0.8238]\n", + " PeriodicSite: S (16.81, 3.746, 5.721) [0.8275, 0.1844, 0.2817]\n", + " PeriodicSite: S (16.12, 4.158, 16.47) [0.7937, 0.2047, 0.8108]\n", + " PeriodicSite: S (16.32, 13.95, 6.305) [0.8035, 0.6867, 0.3104]\n", + " PeriodicSite: S (16.72, 14.36, 16.44) [0.823, 0.7067, 0.8092]\n", + " PeriodicSite: S (7.299, 2.819, 12.64) [0.3593, 0.1388, 0.6222]\n", + " PeriodicSite: S (7.296, 12.58, 2.575) [0.3592, 0.6192, 0.1267]\n", + " PeriodicSite: S (17.67, 2.141, 2.402) [0.87, 0.1054, 0.1182]\n", + " PeriodicSite: S (17.35, 12.71, 2.763) [0.8541, 0.6258, 0.136]\n", + " PeriodicSite: S (17.63, 12.74, 12.68) [0.8679, 0.6271, 0.6244]\n", + " PeriodicSite: S (3.833, 8.939, 9.428) [0.1887, 0.4401, 0.4642]\n", + " PeriodicSite: S (3.593, 8.888, 19.31) [0.1769, 0.4376, 0.9509]\n", + " PeriodicSite: S (3.912, 19.11, 8.899) [0.1926, 0.9409, 0.4381]\n", + " PeriodicSite: S (4.006, 19.12, 19.32) [0.1972, 0.9413, 0.951]\n", + " PeriodicSite: S (13.82, 9.075, 9.01) [0.6804, 0.4467, 0.4436]\n", + " PeriodicSite: S (13.82, 8.613, 19.2) [0.6802, 0.424, 0.9452]\n", + " PeriodicSite: S (14.07, 19.12, 9.046) [0.6925, 0.9415, 0.4453]\n", + " PeriodicSite: S (14.02, 19.3, 18.75) [0.6904, 0.9502, 0.9232]\n", + " PeriodicSite: S (9.065, 6.373, 0.8216) [0.4463, 0.3137, 0.04045]\n", + " PeriodicSite: S (9.135, 6.416, 11.17) [0.4497, 0.3159, 0.5497]\n", + " PeriodicSite: S (8.868, 16.52, 1.461) [0.4366, 0.8132, 0.07193]\n", + " PeriodicSite: S (9.56, 16.3, 11.61) [0.4707, 0.8026, 0.5715]\n", + " PeriodicSite: S (19.24, 6.757, 1.248) [0.9472, 0.3326, 0.06143]\n", + " PeriodicSite: S (18.78, 6.439, 11.53) [0.9247, 0.317, 0.5678]\n", + " PeriodicSite: S (19.09, 16.92, 0.8689) [0.9399, 0.8331, 0.04278]\n", + " PeriodicSite: S (19.25, 16.36, 11.29) [0.9475, 0.8056, 0.5558]\n", + " PeriodicSite: S (1.264, 5.859, 9.364) [0.06223, 0.2885, 0.461]\n", + " PeriodicSite: S (1.244, 6.832, 19.31) [0.06123, 0.3364, 0.9507]\n", + " PeriodicSite: S (1.291, 16.11, 8.924) [0.06353, 0.793, 0.4393]\n", + " PeriodicSite: S (1.545, 16.59, 19.39) [0.07605, 0.8167, 0.9545]\n", + " PeriodicSite: S (11.61, 5.959, 8.999) [0.5715, 0.2934, 0.443]\n", + " PeriodicSite: S (11.28, 5.511, 18.88) [0.5551, 0.2713, 0.9296]\n", + " PeriodicSite: S (11.72, 16.28, 9.383) [0.577, 0.8015, 0.4619]\n", + " PeriodicSite: S (11.04, 16.76, 19.44) [0.5437, 0.8249, 0.9573]\n", + " PeriodicSite: S (5.593, 9.265, 1.76) [0.2753, 0.4561, 0.08664]\n", + " PeriodicSite: S (6.282, 8.973, 11.62) [0.3093, 0.4418, 0.5721]\n", + " PeriodicSite: S (6.399, 19.16, 0.9874) [0.315, 0.9431, 0.04861]\n", + " PeriodicSite: S (6.125, 18.84, 11.36) [0.3016, 0.9275, 0.5592]\n", + " PeriodicSite: S (16.59, 8.812, 0.7969) [0.8166, 0.4338, 0.03924]\n", + " PeriodicSite: S (16.09, 8.636, 11.38) [0.7919, 0.4252, 0.5604]\n", + " PeriodicSite: S (16.21, 18.78, 0.8886) [0.7983, 0.9247, 0.04375]\n", + " PeriodicSite: S (16.54, 19.34, 11.34) [0.8142, 0.9519, 0.5585]\n", + " PeriodicSite: S (7.165, 7.61, 17.58) [0.3527, 0.3746, 0.8654]\n", + " PeriodicSite: S (7.734, 17.49, 7.818) [0.3807, 0.8609, 0.3849]\n", + " PeriodicSite: S (17.57, 7.872, 7.684) [0.8651, 0.3875, 0.3783]\n", + " PeriodicSite: S (17.79, 17.68, 7.295) [0.8758, 0.8702, 0.3591]\n", + " PeriodicSite: P (5.15, 0.2536, 0.1367) [0.2535, 0.01248, 0.006732]\n", + " PeriodicSite: P (5.062, 20.21, 10.22) [0.2492, 0.995, 0.5033]\n", + " PeriodicSite: P (4.607, 10.36, 0.2689) [0.2268, 0.5101, 0.01324]\n", + " PeriodicSite: P (5.124, 10.22, 10.43) [0.2523, 0.5029, 0.5133]\n", + " PeriodicSite: P (15.26, 20.2, 20.03) [0.7512, 0.9944, 0.986]\n", + " PeriodicSite: P (15.37, 20.29, 10.06) [0.7567, 0.9991, 0.4952]\n", + " PeriodicSite: P (15.16, 9.949, 20.23) [0.7462, 0.4898, 0.9958]\n", + " PeriodicSite: P (15.01, 10.04, 10.32) [0.7389, 0.4944, 0.5081]\n", + " PeriodicSite: P (5.389, 5.208, 5.063) [0.2653, 0.2564, 0.2493]\n", + " PeriodicSite: P (4.75, 5.27, 15.24) [0.2338, 0.2594, 0.7504]\n", + " PeriodicSite: P (5.348, 15.09, 5.184) [0.2633, 0.7431, 0.2552]\n", + " PeriodicSite: P (5.041, 15.13, 15.1) [0.2482, 0.7447, 0.7432]\n", + " PeriodicSite: P (15.28, 4.979, 4.964) [0.7523, 0.2451, 0.2444]\n", + " PeriodicSite: P (14.86, 5.208, 15.23) [0.7317, 0.2564, 0.7498]\n", + " PeriodicSite: P (15.27, 15.2, 4.999) [0.7517, 0.7485, 0.2461]\n", + " PeriodicSite: P (15.17, 15.33, 15.51) [0.747, 0.7545, 0.7638]\n", + " PeriodicSite: P (0.2898, 0.1304, 4.582) [0.01427, 0.00642, 0.2256]\n", + " PeriodicSite: P (0.168, 0.2635, 15.53) [0.008277, 0.01297, 0.7644]\n", + " PeriodicSite: P (0.07994, 10.08, 5.029) [0.003932, 0.4961, 0.2476]\n", + " PeriodicSite: P (0.1464, 10.32, 15.26) [0.007208, 0.5083, 0.7514]\n", + " PeriodicSite: P (10.13, 20.19, 5.118) [0.4989, 0.9939, 0.252]\n", + " PeriodicSite: P (9.884, 0.2044, 14.88) [0.4866, 0.01006, 0.7324]\n", + " PeriodicSite: P (10.36, 10.29, 5.117) [0.51, 0.5065, 0.2519]\n", + " PeriodicSite: P (10.11, 10.38, 15.53) [0.4979, 0.5111, 0.7643]\n", + " PeriodicSite: P (0.2484, 5.431, 0.1961) [0.01223, 0.2674, 0.009657]\n", + " PeriodicSite: P (19.87, 5.115, 10.46) [0.978, 0.2518, 0.5151]\n", + " PeriodicSite: P (0.002605, 15.44, 20.18) [0.0001266, 0.7602, 0.9936]\n", + " PeriodicSite: P (0.1265, 15.08, 10.14) [0.006222, 0.7422, 0.499]\n", + " PeriodicSite: P (10.07, 4.833, 20.28) [0.4959, 0.2379, 0.9984]\n", + " PeriodicSite: P (10.16, 5.043, 10.09) [0.5003, 0.2483, 0.4967]\n", + " PeriodicSite: P (9.917, 15.46, 0.03728) [0.4882, 0.7612, 0.001839]\n", + " PeriodicSite: P (10.62, 14.98, 10.43) [0.5227, 0.7375, 0.5133],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.4371, 6.795, 4.288) [0.02152, 0.3345, 0.2111]\n", + " PeriodicSite: Li (1.234, 3.818, 15.75) [0.06076, 0.188, 0.7756]\n", + " PeriodicSite: Li (0.397, 12.43, 7.972) [0.01954, 0.6118, 0.3925]\n", + " PeriodicSite: Li (0.2555, 13.62, 17.36) [0.01258, 0.6705, 0.8547]\n", + " PeriodicSite: Li (14.87, 0.6923, 6.989) [0.7318, 0.03408, 0.3441]\n", + " PeriodicSite: Li (12.3, 4.782, 16.3) [0.6054, 0.2354, 0.8025]\n", + " PeriodicSite: Li (15.46, 12.12, 4.234) [0.7609, 0.5968, 0.2085]\n", + " PeriodicSite: Li (17.06, 8.471, 15.68) [0.8397, 0.417, 0.7718]\n", + " PeriodicSite: Li (4.672, 4.492, 8.035) [0.23, 0.2211, 0.3956]\n", + " PeriodicSite: Li (2.039, 0.7901, 18.92) [0.1004, 0.0389, 0.9316]\n", + " PeriodicSite: Li (3.3, 8.014, 5.002) [0.1625, 0.3945, 0.2463]\n", + " PeriodicSite: Li (7.149, 9.845, 17.6) [0.352, 0.4847, 0.8666]\n", + " PeriodicSite: Li (12.17, 4.317, 6.282) [0.5993, 0.2125, 0.3093]\n", + " PeriodicSite: Li (12.33, 0.705, 19.45) [0.6072, 0.0347, 0.9576]\n", + " PeriodicSite: Li (10.85, 9.43, 12.39) [0.5342, 0.4643, 0.6099]\n", + " PeriodicSite: Li (9.782, 18.7, 17.86) [0.4816, 0.9206, 0.8792]\n", + " PeriodicSite: Li (5.031, 1.385, 6.859) [0.2477, 0.06821, 0.3377]\n", + " PeriodicSite: Li (2.892, 20.01, 13.34) [0.1424, 0.9851, 0.6569]\n", + " PeriodicSite: Li (3.446, 10.36, 7.165) [0.1697, 0.5101, 0.3528]\n", + " PeriodicSite: Li (7.249, 9.884, 13.5) [0.3569, 0.4866, 0.6645]\n", + " PeriodicSite: Li (12.59, 0.1701, 8.476) [0.6197, 0.008369, 0.4173]\n", + " PeriodicSite: Li (10.19, 2.24, 18.1) [0.5018, 0.1103, 0.8912]\n", + " PeriodicSite: Li (13.88, 15.23, 8.364) [0.6835, 0.75, 0.4117]\n", + " PeriodicSite: Li (11.99, 11.14, 19.59) [0.5902, 0.5482, 0.9645]\n", + " PeriodicSite: Li (0.4974, 3.945, 7.968) [0.02449, 0.1942, 0.3922]\n", + " PeriodicSite: Li (0.2356, 2.708, 18.03) [0.0116, 0.1333, 0.8874]\n", + " PeriodicSite: Li (2.493, 14.48, 6.279) [0.1227, 0.7127, 0.3091]\n", + " PeriodicSite: Li (2.944, 14.82, 18.64) [0.1449, 0.7296, 0.9175]\n", + " PeriodicSite: Li (12.84, 1.873, 5.249) [0.6322, 0.0922, 0.2584]\n", + " PeriodicSite: Li (12.66, 0.4288, 15.81) [0.6231, 0.02111, 0.7784]\n", + " PeriodicSite: Li (11.11, 12.21, 9.353) [0.5468, 0.6009, 0.4605]\n", + " PeriodicSite: Li (17.18, 16.58, 19.23) [0.8456, 0.8165, 0.9467]\n", + " PeriodicSite: Li (7.276, 0.2652, 4.214) [0.3582, 0.01305, 0.2075]\n", + " PeriodicSite: Li (0.6382, 18.42, 1.014) [0.03141, 0.907, 0.04993]\n", + " PeriodicSite: Li (2.911, 14.3, 9.813) [0.1433, 0.7038, 0.4831]\n", + " PeriodicSite: Li (0.865, 17.21, 14.84) [0.04258, 0.8474, 0.7307]\n", + " PeriodicSite: Li (15.03, 3.603, 7.895) [0.7402, 0.1774, 0.3887]\n", + " PeriodicSite: Li (14.44, 3.596, 18.41) [0.7111, 0.177, 0.9064]\n", + " PeriodicSite: Li (17.36, 15.22, 8.275) [0.8547, 0.7494, 0.4074]\n", + " PeriodicSite: Li (9.632, 13.42, 17.03) [0.4742, 0.6606, 0.8386]\n", + " PeriodicSite: Li (5.161, 2.067, 3.08) [0.2541, 0.1017, 0.1516]\n", + " PeriodicSite: Li (3.641, 1.988, 15.73) [0.1793, 0.09786, 0.7744]\n", + " PeriodicSite: Li (4.773, 12.31, 5.833) [0.235, 0.606, 0.2872]\n", + " PeriodicSite: Li (18.5, 13.75, 4.328) [0.911, 0.6769, 0.2131]\n", + " PeriodicSite: Li (10.58, 1.815, 7.947) [0.521, 0.08933, 0.3912]\n", + " PeriodicSite: Li (17.04, 0.04311, 16.83) [0.839, 0.002116, 0.8284]\n", + " PeriodicSite: Li (13.17, 9.261, 4.826) [0.6484, 0.4559, 0.2376]\n", + " PeriodicSite: Li (14.2, 9.067, 16.71) [0.6992, 0.4464, 0.8227]\n", + " PeriodicSite: Li (3.342, 11.98, 15.47) [0.1645, 0.59, 0.7614]\n", + " PeriodicSite: Li (2.493, 10.96, 9.799) [0.1228, 0.5394, 0.4824]\n", + " PeriodicSite: Li (0.6132, 16.61, 2.82) [0.03018, 0.8177, 0.1388]\n", + " PeriodicSite: Li (1.899, 0.4128, 8.426) [0.09351, 0.02032, 0.4148]\n", + " PeriodicSite: Li (10.2, 5.69, 2.841) [0.5024, 0.2801, 0.1398]\n", + " PeriodicSite: Li (12.01, 7.563, 15.0) [0.5915, 0.3724, 0.7383]\n", + " PeriodicSite: Li (12.13, 13.26, 5.785) [0.597, 0.6529, 0.2848]\n", + " PeriodicSite: Li (13.99, 1.484, 13.27) [0.689, 0.07305, 0.6535]\n", + " PeriodicSite: Li (3.148, 6.813, 0.3333) [0.155, 0.3354, 0.01641]\n", + " PeriodicSite: Li (2.756, 4.393, 10.48) [0.1357, 0.2163, 0.5162]\n", + " PeriodicSite: Li (6.47, 16.86, 19.84) [0.3185, 0.83, 0.9766]\n", + " PeriodicSite: Li (3.505, 19.03, 16.2) [0.1726, 0.937, 0.7974]\n", + " PeriodicSite: Li (13.55, 4.406, 1.473) [0.6673, 0.2169, 0.07253]\n", + " PeriodicSite: Li (11.46, 5.735, 12.55) [0.564, 0.2824, 0.6179]\n", + " PeriodicSite: Li (12.56, 17.49, 5.035) [0.6183, 0.8609, 0.2479]\n", + " PeriodicSite: Li (10.28, 17.75, 13.54) [0.5059, 0.8736, 0.6664]\n", + " PeriodicSite: Li (4.066, 10.45, 17.38) [0.2002, 0.5143, 0.8555]\n", + " PeriodicSite: Li (4.37, 7.083, 12.23) [0.2151, 0.3487, 0.6022]\n", + " PeriodicSite: Li (5.117, 17.5, 2.393) [0.2519, 0.8615, 0.1178]\n", + " PeriodicSite: Li (2.653, 17.6, 10.47) [0.1306, 0.8665, 0.5154]\n", + " PeriodicSite: Li (10.53, 9.182, 2.059) [0.5184, 0.452, 0.1014]\n", + " PeriodicSite: Li (14.38, 5.792, 12.48) [0.708, 0.2851, 0.6144]\n", + " PeriodicSite: Li (10.79, 15.98, 2.914) [0.5311, 0.7867, 0.1435]\n", + " PeriodicSite: Li (13.6, 15.36, 12.32) [0.6698, 0.7563, 0.6067]\n", + " PeriodicSite: Li (20.27, 8.668, 1.795) [0.9979, 0.4267, 0.08836]\n", + " PeriodicSite: Li (17.01, 6.691, 9.853) [0.8376, 0.3294, 0.4851]\n", + " PeriodicSite: Li (2.824, 17.86, 4.682) [0.139, 0.8792, 0.2305]\n", + " PeriodicSite: Li (0.109, 18.15, 12.55) [0.00536, 0.8938, 0.6179]\n", + " PeriodicSite: Li (11.01, 7.209, 5.439) [0.5422, 0.3549, 0.2678]\n", + " PeriodicSite: Li (13.09, 11.97, 15.81) [0.6444, 0.5895, 0.7785]\n", + " PeriodicSite: Li (13.88, 15.4, 2.211) [0.6832, 0.758, 0.1089]\n", + " PeriodicSite: Li (12.2, 15.07, 16.2) [0.6005, 0.7421, 0.7974]\n", + " PeriodicSite: Li (5.892, 7.668, 5.988) [0.2901, 0.3775, 0.2948]\n", + " PeriodicSite: Li (20.03, 12.07, 11.82) [0.9862, 0.594, 0.5817]\n", + " PeriodicSite: Li (19.53, 16.92, 6.215) [0.9615, 0.8331, 0.306]\n", + " PeriodicSite: Li (6.284, 18.59, 14.77) [0.3093, 0.9151, 0.727]\n", + " PeriodicSite: Li (17.14, 10.45, 2.803) [0.8436, 0.5142, 0.138]\n", + " PeriodicSite: Li (13.31, 7.179, 10.32) [0.6554, 0.3534, 0.5079]\n", + " PeriodicSite: Li (14.09, 17.48, 0.3854) [0.6935, 0.8604, 0.01898]\n", + " PeriodicSite: Li (12.87, 18.01, 10.44) [0.6336, 0.8865, 0.5139]\n", + " PeriodicSite: Li (3.009, 3.483, 20.23) [0.1482, 0.1715, 0.9958]\n", + " PeriodicSite: Li (3.349, 9.604, 13.54) [0.1649, 0.4728, 0.6665]\n", + " PeriodicSite: Li (3.175, 20.05, 2.969) [0.1563, 0.9873, 0.1462]\n", + " PeriodicSite: Li (2.125, 15.29, 13.35) [0.1046, 0.7526, 0.6572]\n", + " PeriodicSite: Li (14.64, 8.474, 3.017) [0.7209, 0.4172, 0.1486]\n", + " PeriodicSite: Li (14.54, 8.875, 13.28) [0.7156, 0.4369, 0.6538]\n", + " PeriodicSite: Li (15.29, 18.22, 3.03) [0.7526, 0.8968, 0.1492]\n", + " PeriodicSite: Li (18.36, 4.537, 13.12) [0.904, 0.2233, 0.6459]\n", + " PeriodicSite: Li (9.82, 2.221, 2.671) [0.4835, 0.1094, 0.1315]\n", + " PeriodicSite: Li (9.156, 1.263, 11.58) [0.4508, 0.06217, 0.5702]\n", + " PeriodicSite: Li (6.885, 10.49, 3.84) [0.339, 0.5165, 0.1891]\n", + " PeriodicSite: Li (6.101, 12.14, 14.54) [0.3004, 0.5975, 0.7156]\n", + " PeriodicSite: Li (18.34, 3.139, 4.571) [0.9027, 0.1545, 0.225]\n", + " PeriodicSite: Li (13.06, 3.733, 9.597) [0.643, 0.1838, 0.4725]\n", + " PeriodicSite: Li (19.7, 12.33, 1.77) [0.9701, 0.6069, 0.08714]\n", + " PeriodicSite: Li (17.11, 10.63, 13.15) [0.8425, 0.5234, 0.6472]\n", + " PeriodicSite: Li (5.932, 18.31, 5.946) [0.292, 0.9012, 0.2927]\n", + " PeriodicSite: Li (9.525, 2.94, 13.97) [0.4689, 0.1447, 0.6878]\n", + " PeriodicSite: Li (5.146, 13.38, 19.09) [0.2533, 0.6586, 0.94]\n", + " PeriodicSite: Li (10.02, 13.66, 13.47) [0.4931, 0.6724, 0.6633]\n", + " PeriodicSite: Li (13.39, 20.28, 2.761) [0.6594, 0.9983, 0.1359]\n", + " PeriodicSite: Li (18.7, 1.518, 10.68) [0.9205, 0.07472, 0.526]\n", + " PeriodicSite: Li (17.03, 15.17, 1.582) [0.8384, 0.747, 0.07789]\n", + " PeriodicSite: Li (17.28, 15.41, 12.21) [0.8509, 0.7586, 0.601]\n", + " PeriodicSite: Li (8.292, 5.059, 6.167) [0.4082, 0.2491, 0.3036]\n", + " PeriodicSite: Li (6.356, 0.4251, 12.57) [0.3129, 0.02092, 0.6186]\n", + " PeriodicSite: Li (9.874, 12.59, 2.226) [0.4861, 0.62, 0.1096]\n", + " PeriodicSite: Li (5.262, 13.36, 11.62) [0.259, 0.6578, 0.572]\n", + " PeriodicSite: Li (19.96, 2.662, 1.379) [0.9829, 0.1311, 0.0679]\n", + " PeriodicSite: Li (0.345, 8.364, 12.08) [0.01698, 0.4118, 0.5948]\n", + " PeriodicSite: Li (15.42, 13.11, 1.19) [0.7591, 0.6454, 0.05859]\n", + " PeriodicSite: Li (15.28, 12.34, 13.72) [0.7521, 0.6074, 0.6755]\n", + " PeriodicSite: Li (2.5, 0.5838, 5.694) [0.1231, 0.02874, 0.2803]\n", + " PeriodicSite: Li (6.592, 1.985, 14.7) [0.3245, 0.09772, 0.7237]\n", + " PeriodicSite: Li (5.562, 12.92, 2.466) [0.2738, 0.6361, 0.1214]\n", + " PeriodicSite: Li (8.192, 6.76, 15.27) [0.4033, 0.3328, 0.7518]\n", + " PeriodicSite: Li (17.28, 4.579, 1.811) [0.8506, 0.2254, 0.08916]\n", + " PeriodicSite: Li (15.36, 18.86, 13.35) [0.7563, 0.9286, 0.6572]\n", + " PeriodicSite: Li (12.71, 14.62, 19.56) [0.6259, 0.7199, 0.9629]\n", + " PeriodicSite: Li (17.1, 13.02, 10.59) [0.842, 0.6408, 0.5216]\n", + " PeriodicSite: Li (6.646, 3.931, 0.8881) [0.3272, 0.1935, 0.04372]\n", + " PeriodicSite: Li (5.077, 3.405, 12.33) [0.25, 0.1676, 0.6071]\n", + " PeriodicSite: Li (8.085, 11.26, 0.691) [0.398, 0.5545, 0.03402]\n", + " PeriodicSite: Li (8.619, 11.83, 10.2) [0.4243, 0.5823, 0.5022]\n", + " PeriodicSite: Li (15.65, 1.991, 3.828) [0.7707, 0.098, 0.1885]\n", + " PeriodicSite: Li (16.6, 3.338, 10.45) [0.8173, 0.1643, 0.5144]\n", + " PeriodicSite: Li (1.608, 10.65, 18.86) [0.07916, 0.5244, 0.9287]\n", + " PeriodicSite: Li (19.41, 12.92, 14.35) [0.9557, 0.6361, 0.7065]\n", + " PeriodicSite: Li (7.951, 0.7705, 0.09593) [0.3914, 0.03793, 0.004725]\n", + " PeriodicSite: Li (6.846, 3.136, 10.16) [0.337, 0.1544, 0.5004]\n", + " PeriodicSite: Li (8.452, 13.58, 4.82) [0.4161, 0.6684, 0.2373]\n", + " PeriodicSite: Li (4.907, 16.63, 12.11) [0.2416, 0.8188, 0.5961]\n", + " PeriodicSite: Li (15.94, 2.519, 0.5048) [0.7847, 0.124, 0.02486]\n", + " PeriodicSite: Li (2.164, 6.927, 15.3) [0.1065, 0.341, 0.7531]\n", + " PeriodicSite: Li (5.148, 13.22, 8.476) [0.2534, 0.6508, 0.4173]\n", + " PeriodicSite: Li (14.01, 13.16, 10.56) [0.6897, 0.6479, 0.5197]\n", + " PeriodicSite: Li (14.28, 10.69, 7.474) [0.7028, 0.5263, 0.368]\n", + " PeriodicSite: Li (5.747, 7.969, 15.88) [0.2829, 0.3923, 0.7818]\n", + " PeriodicSite: Li (7.478, 14.91, 10.84) [0.3682, 0.734, 0.5335]\n", + " PeriodicSite: Li (2.944, 17.25, 20.23) [0.145, 0.8492, 0.9959]\n", + " PeriodicSite: Li (16.99, 9.76, 7.096) [0.8366, 0.4805, 0.3494]\n", + " PeriodicSite: Li (2.807, 5.02, 18.23) [0.1382, 0.2472, 0.8974]\n", + " PeriodicSite: Li (17.72, 0.26, 3.728) [0.8724, 0.01279, 0.1835]\n", + " PeriodicSite: Li (19.7, 18.74, 18.66) [0.9698, 0.9228, 0.9187]\n", + " PeriodicSite: Li (6.998, 10.11, 6.993) [0.3445, 0.4979, 0.3443]\n", + " PeriodicSite: Li (7.02, 5.423, 18.11) [0.3456, 0.267, 0.8914]\n", + " PeriodicSite: Li (7.618, 19.97, 7.587) [0.3751, 0.9832, 0.3735]\n", + " PeriodicSite: Li (7.961, 16.03, 16.1) [0.3919, 0.7894, 0.7929]\n", + " PeriodicSite: Li (17.97, 9.348, 9.653) [0.8848, 0.4602, 0.4753]\n", + " PeriodicSite: Li (17.09, 6.608, 20.24) [0.8415, 0.3253, 0.9965]\n", + " PeriodicSite: Li (18.59, 20.05, 7.619) [0.9152, 0.9871, 0.3751]\n", + " PeriodicSite: Li (18.02, 16.24, 15.64) [0.8869, 0.7996, 0.77]\n", + " PeriodicSite: Li (6.648, 6.751, 9.615) [0.3273, 0.3324, 0.4734]\n", + " PeriodicSite: Li (4.739, 3.311, 18.28) [0.2333, 0.163, 0.8998]\n", + " PeriodicSite: Li (9.911, 18.07, 9.031) [0.4879, 0.8896, 0.4446]\n", + " PeriodicSite: Li (16.87, 11.64, 16.21) [0.8303, 0.5732, 0.7983]\n", + " PeriodicSite: Li (20.08, 8.038, 7.771) [0.9883, 0.3957, 0.3826]\n", + " PeriodicSite: Li (18.3, 5.208, 17.28) [0.9008, 0.2564, 0.8509]\n", + " PeriodicSite: Li (16.55, 17.41, 9.88) [0.8149, 0.857, 0.4864]\n", + " PeriodicSite: Li (15.56, 14.07, 18.41) [0.7658, 0.6927, 0.9066]\n", + " PeriodicSite: Li (9.801, 7.83, 8.95) [0.4825, 0.3855, 0.4406]\n", + " PeriodicSite: Li (5.552, 6.424, 2.061) [0.2733, 0.3163, 0.1015]\n", + " PeriodicSite: Li (5.79, 17.13, 8.958) [0.2851, 0.8433, 0.441]\n", + " PeriodicSite: Li (7.121, 14.36, 1.142) [0.3506, 0.7069, 0.05624]\n", + " PeriodicSite: Li (15.14, 7.144, 7.863) [0.7455, 0.3517, 0.3871]\n", + " PeriodicSite: Li (20.27, 7.411, 17.47) [0.998, 0.3648, 0.8602]\n", + " PeriodicSite: Li (16.44, 18.11, 6.407) [0.8093, 0.8915, 0.3154]\n", + " PeriodicSite: Li (15.09, 18.4, 16.27) [0.7427, 0.9058, 0.8012]\n", + " PeriodicSite: Li (7.527, 4.999, 12.31) [0.3706, 0.2461, 0.6062]\n", + " PeriodicSite: Li (5.614, 7.546, 19.04) [0.2764, 0.3715, 0.9376]\n", + " PeriodicSite: Li (9.417, 17.38, 5.87) [0.4636, 0.8555, 0.289]\n", + " PeriodicSite: Li (10.39, 18.41, 1.616) [0.5117, 0.9062, 0.07957]\n", + " PeriodicSite: Li (16.91, 7.817, 4.861) [0.8323, 0.3848, 0.2393]\n", + " PeriodicSite: Li (13.5, 6.637, 19.62) [0.6644, 0.3268, 0.9657]\n", + " PeriodicSite: Li (19.94, 17.92, 9.141) [0.9818, 0.8821, 0.45]\n", + " PeriodicSite: Li (18.11, 0.4865, 1.039) [0.8916, 0.02394, 0.05115]\n", + " PeriodicSite: Li (3.132, 10.14, 3.304) [0.1542, 0.4991, 0.1627]\n", + " PeriodicSite: Li (9.71, 7.678, 18.35) [0.478, 0.378, 0.9035]\n", + " PeriodicSite: Li (8.429, 15.48, 7.117) [0.415, 0.7623, 0.3504]\n", + " PeriodicSite: Li (6.433, 20.2, 16.92) [0.3167, 0.9944, 0.833]\n", + " PeriodicSite: Li (18.23, 4.971, 7.167) [0.8974, 0.2447, 0.3528]\n", + " PeriodicSite: Li (17.9, 10.14, 18.7) [0.881, 0.4993, 0.9206]\n", + " PeriodicSite: Li (3.673, 15.67, 2.117) [0.1808, 0.7716, 0.1042]\n", + " PeriodicSite: Li (16.09, 2.143, 15.13) [0.7923, 0.1055, 0.745]\n", + " PeriodicSite: Cl (7.853, 12.79, 12.77) [0.3866, 0.6295, 0.6287]\n", + " PeriodicSite: Cl (2.546, 12.63, 17.92) [0.1254, 0.622, 0.8821]\n", + " PeriodicSite: Cl (12.8, 17.57, 12.73) [0.6301, 0.8649, 0.6269]\n", + " PeriodicSite: Cl (17.92, 7.441, 17.7) [0.8822, 0.3663, 0.8712]\n", + " PeriodicSite: Cl (7.568, 2.169, 2.684) [0.3726, 0.1068, 0.1321]\n", + " PeriodicSite: Cl (7.797, 8.003, 7.913) [0.3838, 0.394, 0.3896]\n", + " PeriodicSite: Cl (13.08, 12.8, 7.916) [0.6437, 0.63, 0.3897]\n", + " PeriodicSite: Cl (2.199, 8.048, 2.813) [0.1083, 0.3962, 0.1385]\n", + " PeriodicSite: Cl (2.39, 7.706, 13.26) [0.1177, 0.3794, 0.6526]\n", + " PeriodicSite: Cl (12.3, 13.1, 17.76) [0.6057, 0.645, 0.8742]\n", + " PeriodicSite: Cl (17.53, 17.84, 17.37) [0.8628, 0.8785, 0.8552]\n", + " PeriodicSite: Cl (2.693, 2.561, 7.555) [0.1326, 0.1261, 0.3719]\n", + " PeriodicSite: Cl (12.44, 2.248, 17.53) [0.6123, 0.1107, 0.863]\n", + " PeriodicSite: Cl (12.34, 7.961, 3.171) [0.6076, 0.3919, 0.1561]\n", + " PeriodicSite: Cl (17.51, 2.415, 12.55) [0.8618, 0.1189, 0.6176]\n", + " PeriodicSite: Cl (7.346, 18.19, 17.48) [0.3616, 0.8955, 0.8604]\n", + " PeriodicSite: Cl (0.07076, 0.1533, 20.28) [0.003489, 0.007547, 0.9982]\n", + " PeriodicSite: Cl (20.23, 20.13, 9.657) [0.9958, 0.9908, 0.4754]\n", + " PeriodicSite: Cl (20.06, 10.41, 20.2) [0.9878, 0.5125, 0.9947]\n", + " PeriodicSite: Cl (19.94, 10.1, 10.56) [0.9819, 0.4973, 0.5199]\n", + " PeriodicSite: Cl (10.17, 20.14, 19.85) [0.5007, 0.9915, 0.9773]\n", + " PeriodicSite: Cl (10.39, 20.3, 9.592) [0.5116, 0.9995, 0.4722]\n", + " PeriodicSite: Cl (10.1, 10.36, 0.3182) [0.4972, 0.5099, 0.01567]\n", + " PeriodicSite: Cl (10.13, 10.22, 9.991) [0.4987, 0.5029, 0.4919]\n", + " PeriodicSite: Cl (20.24, 4.676, 5.699) [0.9963, 0.2302, 0.2806]\n", + " PeriodicSite: Cl (20.28, 5.715, 15.68) [0.9983, 0.2814, 0.772]\n", + " PeriodicSite: Cl (0.6243, 15.33, 4.943) [0.03073, 0.7545, 0.2434]\n", + " PeriodicSite: Cl (0.03567, 15.23, 15.72) [0.001754, 0.7497, 0.774]\n", + " PeriodicSite: Cl (10.31, 5.037, 5.082) [0.5076, 0.248, 0.2502]\n", + " PeriodicSite: Cl (10.17, 5.227, 15.13) [0.5007, 0.2573, 0.7447]\n", + " PeriodicSite: Cl (10.33, 15.18, 5.232) [0.5085, 0.7473, 0.2576]\n", + " PeriodicSite: Cl (10.24, 15.28, 15.29) [0.504, 0.752, 0.7529]\n", + " PeriodicSite: S (4.97, 20.26, 4.993) [0.2447, 0.9975, 0.2458]\n", + " PeriodicSite: S (5.175, 0.1547, 15.16) [0.2548, 0.007614, 0.7466]\n", + " PeriodicSite: S (4.981, 9.769, 5.412) [0.2452, 0.4809, 0.2664]\n", + " PeriodicSite: S (5.204, 10.25, 15.26) [0.2562, 0.5045, 0.7512]\n", + " PeriodicSite: S (15.12, 20.18, 4.521) [0.7446, 0.9936, 0.2226]\n", + " PeriodicSite: S (15.18, 0.1287, 15.09) [0.7473, 0.006332, 0.7429]\n", + " PeriodicSite: S (15.66, 9.864, 5.181) [0.771, 0.4856, 0.255]\n", + " PeriodicSite: S (15.38, 10.28, 15.13) [0.7572, 0.5059, 0.7447]\n", + " PeriodicSite: S (4.819, 5.185, 19.84) [0.2372, 0.2553, 0.9766]\n", + " PeriodicSite: S (5.084, 4.88, 10.47) [0.2503, 0.2402, 0.5152]\n", + " PeriodicSite: S (5.035, 15.13, 0.3719) [0.2479, 0.7449, 0.01831]\n", + " PeriodicSite: S (5.124, 15.23, 10.26) [0.2522, 0.7497, 0.5051]\n", + " PeriodicSite: S (15.19, 4.677, 20.18) [0.7478, 0.2303, 0.9934]\n", + " PeriodicSite: S (14.99, 5.417, 9.925) [0.7381, 0.2667, 0.4886]\n", + " PeriodicSite: S (14.91, 15.25, 0.1126) [0.7339, 0.7507, 0.00555]\n", + " PeriodicSite: S (15.71, 15.09, 10.07) [0.7734, 0.743, 0.4959]\n", + " PeriodicSite: S (8.734, 3.888, 8.521) [0.43, 0.1914, 0.4195]\n", + " PeriodicSite: S (8.862, 3.847, 19.06) [0.4363, 0.1894, 0.9382]\n", + " PeriodicSite: S (9.101, 14.08, 9.371) [0.4481, 0.6931, 0.4613]\n", + " PeriodicSite: S (8.474, 14.27, 18.99) [0.4172, 0.7024, 0.935]\n", + " PeriodicSite: S (18.82, 3.631, 9.428) [0.9263, 0.1788, 0.4641]\n", + " PeriodicSite: S (19.0, 4.115, 19.38) [0.9355, 0.2026, 0.954]\n", + " PeriodicSite: S (19.31, 13.58, 9.377) [0.9506, 0.6687, 0.4616]\n", + " PeriodicSite: S (18.89, 14.47, 19.02) [0.9301, 0.7122, 0.9362]\n", + " PeriodicSite: S (3.851, 1.201, 1.298) [0.1896, 0.05911, 0.06393]\n", + " PeriodicSite: S (3.875, 1.03, 11.4) [0.1908, 0.05071, 0.5611]\n", + " PeriodicSite: S (3.686, 11.66, 1.416) [0.1815, 0.5742, 0.0697]\n", + " PeriodicSite: S (3.95, 11.25, 11.65) [0.1945, 0.5538, 0.5736]\n", + " PeriodicSite: S (14.01, 1.096, 0.6718) [0.6897, 0.05396, 0.03308]\n", + " PeriodicSite: S (14.02, 1.501, 10.92) [0.6903, 0.07388, 0.5374]\n", + " PeriodicSite: S (14.1, 10.97, 1.475) [0.6942, 0.5402, 0.07262]\n", + " PeriodicSite: S (14.18, 11.42, 11.86) [0.6979, 0.562, 0.5837]\n", + " PeriodicSite: S (6.335, 1.088, 8.951) [0.3119, 0.05357, 0.4407]\n", + " PeriodicSite: S (6.154, 1.302, 18.9) [0.303, 0.06409, 0.9305]\n", + " PeriodicSite: S (6.343, 11.25, 9.284) [0.3123, 0.5539, 0.457]\n", + " PeriodicSite: S (6.171, 11.06, 19.42) [0.3038, 0.5445, 0.956]\n", + " PeriodicSite: S (16.51, 1.205, 8.759) [0.8127, 0.05932, 0.4312]\n", + " PeriodicSite: S (16.44, 1.253, 18.82) [0.8093, 0.06167, 0.9264]\n", + " PeriodicSite: S (16.27, 11.43, 9.111) [0.8012, 0.5628, 0.4486]\n", + " PeriodicSite: S (15.9, 11.64, 18.88) [0.783, 0.5732, 0.9297]\n", + " PeriodicSite: S (1.263, 4.438, 1.606) [0.06217, 0.2185, 0.07905]\n", + " PeriodicSite: S (0.4296, 3.752, 12.01) [0.02115, 0.1847, 0.5912]\n", + " PeriodicSite: S (0.7581, 14.34, 1.546) [0.03732, 0.7059, 0.0761]\n", + " PeriodicSite: S (1.281, 13.86, 11.66) [0.06308, 0.6825, 0.574]\n", + " PeriodicSite: S (11.23, 4.012, 1.327) [0.5528, 0.1975, 0.06533]\n", + " PeriodicSite: S (11.1, 3.381, 11.14) [0.5465, 0.1664, 0.5486]\n", + " PeriodicSite: S (11.18, 14.24, 1.074) [0.5506, 0.7013, 0.05289]\n", + " PeriodicSite: S (11.7, 13.99, 11.59) [0.5758, 0.6885, 0.5706]\n", + " PeriodicSite: S (2.416, 2.683, 17.8) [0.119, 0.1321, 0.8764]\n", + " PeriodicSite: S (3.025, 12.46, 8.067) [0.1489, 0.6134, 0.3971]\n", + " PeriodicSite: S (13.03, 2.284, 7.482) [0.6414, 0.1124, 0.3683]\n", + " PeriodicSite: S (9.177, 9.045, 4.141) [0.4518, 0.4453, 0.2039]\n", + " PeriodicSite: S (9.282, 8.752, 14.3) [0.4569, 0.4309, 0.7038]\n", + " PeriodicSite: S (8.958, 18.78, 3.879) [0.441, 0.9244, 0.1909]\n", + " PeriodicSite: S (8.641, 19.59, 13.21) [0.4254, 0.9642, 0.6502]\n", + " PeriodicSite: S (19.14, 9.185, 3.813) [0.9422, 0.4522, 0.1877]\n", + " PeriodicSite: S (19.2, 9.106, 14.33) [0.9455, 0.4483, 0.7054]\n", + " PeriodicSite: S (19.38, 18.87, 3.562) [0.9542, 0.929, 0.1754]\n", + " PeriodicSite: S (19.39, 18.78, 14.55) [0.9546, 0.9246, 0.7163]\n", + " PeriodicSite: S (3.999, 6.053, 6.226) [0.1969, 0.298, 0.3065]\n", + " PeriodicSite: S (4.075, 6.54, 16.78) [0.2006, 0.3219, 0.8262]\n", + " PeriodicSite: S (4.14, 16.5, 6.602) [0.2038, 0.8123, 0.325]\n", + " PeriodicSite: S (3.52, 16.44, 16.24) [0.1733, 0.8091, 0.7995]\n", + " PeriodicSite: S (14.12, 5.799, 6.396) [0.6951, 0.2855, 0.3149]\n", + " PeriodicSite: S (13.82, 6.75, 16.53) [0.6804, 0.3323, 0.8136]\n", + " PeriodicSite: S (14.38, 16.47, 6.354) [0.708, 0.8111, 0.3128]\n", + " PeriodicSite: S (14.22, 16.22, 16.86) [0.6999, 0.7986, 0.8298]\n", + " PeriodicSite: S (6.828, 6.284, 4.344) [0.3361, 0.3094, 0.2139]\n", + " PeriodicSite: S (5.982, 6.276, 14.09) [0.2945, 0.309, 0.6936]\n", + " PeriodicSite: S (6.575, 16.36, 4.133) [0.3237, 0.8054, 0.2035]\n", + " PeriodicSite: S (6.269, 16.29, 14.37) [0.3086, 0.8019, 0.7073]\n", + " PeriodicSite: S (16.49, 5.813, 3.675) [0.8117, 0.2862, 0.1809]\n", + " PeriodicSite: S (16.28, 6.461, 14.12) [0.8013, 0.3181, 0.6954]\n", + " PeriodicSite: S (16.47, 16.39, 3.853) [0.8108, 0.8068, 0.1897]\n", + " PeriodicSite: S (16.28, 16.39, 14.15) [0.8013, 0.8066, 0.6966]\n", + " PeriodicSite: S (1.351, 9.123, 6.006) [0.06648, 0.4491, 0.2957]\n", + " PeriodicSite: S (1.423, 9.309, 16.46) [0.07006, 0.4583, 0.8103]\n", + " PeriodicSite: S (1.199, 19.01, 6.187) [0.05904, 0.9358, 0.3046]\n", + " PeriodicSite: S (1.201, 19.15, 16.91) [0.05912, 0.9426, 0.8327]\n", + " PeriodicSite: S (11.41, 9.327, 6.421) [0.5616, 0.4592, 0.3161]\n", + " PeriodicSite: S (11.28, 9.412, 16.78) [0.5554, 0.4633, 0.8261]\n", + " PeriodicSite: S (11.23, 19.12, 6.187) [0.5528, 0.9411, 0.3046]\n", + " PeriodicSite: S (10.72, 19.01, 15.69) [0.5277, 0.9358, 0.7723]\n", + " PeriodicSite: S (2.79, 17.95, 2.256) [0.1374, 0.8837, 0.111]\n", + " PeriodicSite: S (2.429, 17.64, 12.85) [0.1196, 0.8682, 0.6326]\n", + " PeriodicSite: S (12.86, 7.44, 12.86) [0.6332, 0.3663, 0.6332]\n", + " PeriodicSite: S (12.62, 17.7, 2.502) [0.6215, 0.8715, 0.1232]\n", + " PeriodicSite: S (4.495, 4.422, 3.155) [0.2213, 0.2177, 0.1553]\n", + " PeriodicSite: S (3.314, 4.26, 14.36) [0.1631, 0.2097, 0.707]\n", + " PeriodicSite: S (4.191, 14.27, 4.237) [0.2063, 0.7027, 0.2086]\n", + " PeriodicSite: S (4.209, 13.79, 13.89) [0.2072, 0.6789, 0.684]\n", + " PeriodicSite: S (13.87, 3.742, 3.904) [0.6826, 0.1842, 0.1922]\n", + " PeriodicSite: S (13.65, 4.31, 14.19) [0.6718, 0.2122, 0.6987]\n", + " PeriodicSite: S (13.85, 14.09, 4.127) [0.682, 0.6935, 0.2032]\n", + " PeriodicSite: S (13.74, 14.21, 14.46) [0.6766, 0.6995, 0.7119]\n", + " PeriodicSite: S (8.888, 1.387, 5.755) [0.4376, 0.06827, 0.2833]\n", + " PeriodicSite: S (8.552, 1.328, 16.01) [0.421, 0.06538, 0.7882]\n", + " PeriodicSite: S (9.09, 11.71, 6.143) [0.4475, 0.5765, 0.3024]\n", + " PeriodicSite: S (8.506, 11.31, 16.36) [0.4188, 0.5566, 0.8056]\n", + " PeriodicSite: S (18.95, 1.026, 5.812) [0.933, 0.05049, 0.2861]\n", + " PeriodicSite: S (19.03, 1.093, 16.67) [0.9369, 0.05382, 0.8205]\n", + " PeriodicSite: S (19.36, 11.38, 6.29) [0.9532, 0.5601, 0.3096]\n", + " PeriodicSite: S (19.2, 11.63, 16.73) [0.9452, 0.5726, 0.8237]\n", + " PeriodicSite: S (1.162, 0.9558, 3.544) [0.05721, 0.04705, 0.1745]\n", + " PeriodicSite: S (1.313, 1.167, 14.66) [0.06462, 0.05745, 0.7217]\n", + " PeriodicSite: S (1.29, 11.65, 3.774) [0.06353, 0.5734, 0.1858]\n", + " PeriodicSite: S (1.019, 11.46, 13.84) [0.05016, 0.5642, 0.6814]\n", + " PeriodicSite: S (11.46, 0.9856, 3.72) [0.5644, 0.04852, 0.1831]\n", + " PeriodicSite: S (11.22, 1.132, 13.93) [0.5525, 0.05574, 0.6856]\n", + " PeriodicSite: S (11.61, 11.41, 3.868) [0.5717, 0.5619, 0.1904]\n", + " PeriodicSite: S (11.13, 11.55, 14.21) [0.548, 0.5685, 0.6995]\n", + " PeriodicSite: S (6.257, 3.575, 6.102) [0.308, 0.176, 0.3004]\n", + " PeriodicSite: S (5.882, 3.838, 16.29) [0.2896, 0.189, 0.8018]\n", + " PeriodicSite: S (6.572, 13.94, 6.407) [0.3235, 0.6865, 0.3154]\n", + " PeriodicSite: S (6.088, 14.07, 16.56) [0.2997, 0.6926, 0.8152]\n", + " PeriodicSite: S (16.48, 3.529, 6.05) [0.8114, 0.1737, 0.2979]\n", + " PeriodicSite: S (16.01, 4.104, 16.56) [0.7881, 0.2021, 0.8152]\n", + " PeriodicSite: S (16.52, 13.82, 6.239) [0.8135, 0.6802, 0.3071]\n", + " PeriodicSite: S (16.61, 14.05, 16.43) [0.8175, 0.6915, 0.8089]\n", + " PeriodicSite: S (7.358, 2.753, 12.59) [0.3623, 0.1355, 0.62]\n", + " PeriodicSite: S (7.776, 12.49, 2.646) [0.3828, 0.6147, 0.1303]\n", + " PeriodicSite: S (17.74, 2.398, 2.299) [0.8733, 0.118, 0.1132]\n", + " PeriodicSite: S (17.28, 12.78, 2.529) [0.8508, 0.6294, 0.1245]\n", + " PeriodicSite: S (17.65, 12.91, 12.88) [0.8687, 0.6358, 0.6341]\n", + " PeriodicSite: S (4.011, 9.048, 9.157) [0.1975, 0.4455, 0.4508]\n", + " PeriodicSite: S (3.399, 9.158, 19.56) [0.1673, 0.4509, 0.963]\n", + " PeriodicSite: S (3.908, 19.3, 8.725) [0.1924, 0.9501, 0.4295]\n", + " PeriodicSite: S (3.9, 19.38, 18.92) [0.192, 0.9543, 0.9316]\n", + " PeriodicSite: S (13.78, 9.367, 9.242) [0.6783, 0.4611, 0.455]\n", + " PeriodicSite: S (13.66, 9.056, 19.18) [0.6725, 0.4458, 0.9445]\n", + " PeriodicSite: S (14.41, 19.12, 8.761) [0.7094, 0.9413, 0.4313]\n", + " PeriodicSite: S (14.03, 19.0, 18.69) [0.6908, 0.9353, 0.9203]\n", + " PeriodicSite: S (8.988, 6.421, 0.6831) [0.4425, 0.3161, 0.03363]\n", + " PeriodicSite: S (9.225, 6.293, 10.79) [0.4541, 0.3098, 0.5311]\n", + " PeriodicSite: S (8.717, 16.43, 1.221) [0.4291, 0.8086, 0.06012]\n", + " PeriodicSite: S (9.586, 16.54, 11.53) [0.4719, 0.8142, 0.5674]\n", + " PeriodicSite: S (18.93, 6.244, 1.548) [0.9319, 0.3074, 0.07619]\n", + " PeriodicSite: S (19.03, 6.452, 11.46) [0.937, 0.3176, 0.5644]\n", + " PeriodicSite: S (18.9, 17.0, 0.7278) [0.9306, 0.8367, 0.03584]\n", + " PeriodicSite: S (19.15, 16.43, 11.39) [0.9428, 0.8087, 0.5607]\n", + " PeriodicSite: S (1.089, 5.863, 9.39) [0.05359, 0.2886, 0.4623]\n", + " PeriodicSite: S (1.042, 6.688, 19.48) [0.05128, 0.3292, 0.9589]\n", + " PeriodicSite: S (1.35, 16.1, 9.202) [0.06644, 0.7927, 0.453]\n", + " PeriodicSite: S (1.186, 16.38, 19.06) [0.05838, 0.8066, 0.9385]\n", + " PeriodicSite: S (11.52, 5.694, 8.495) [0.567, 0.2803, 0.4182]\n", + " PeriodicSite: S (11.4, 5.884, 18.67) [0.5612, 0.2897, 0.919]\n", + " PeriodicSite: S (11.64, 16.13, 8.766) [0.573, 0.794, 0.4316]\n", + " PeriodicSite: S (10.93, 16.44, 18.87) [0.5383, 0.8093, 0.9288]\n", + " PeriodicSite: S (5.683, 8.877, 1.763) [0.2798, 0.437, 0.08682]\n", + " PeriodicSite: S (6.074, 8.696, 11.61) [0.2991, 0.4281, 0.5717]\n", + " PeriodicSite: S (6.337, 19.22, 0.8281) [0.312, 0.9464, 0.04077]\n", + " PeriodicSite: S (6.157, 18.8, 11.09) [0.3031, 0.9253, 0.5461]\n", + " PeriodicSite: S (16.73, 9.061, 0.8057) [0.8235, 0.4461, 0.03967]\n", + " PeriodicSite: S (16.28, 9.038, 11.55) [0.8014, 0.445, 0.5684]\n", + " PeriodicSite: S (16.37, 19.05, 0.6149) [0.806, 0.938, 0.03028]\n", + " PeriodicSite: S (16.5, 19.6, 11.37) [0.8126, 0.965, 0.5598]\n", + " PeriodicSite: S (7.521, 7.643, 17.54) [0.3703, 0.3763, 0.8634]\n", + " PeriodicSite: S (7.961, 17.65, 7.658) [0.3919, 0.8688, 0.377]\n", + " PeriodicSite: S (17.62, 7.472, 7.752) [0.8675, 0.3678, 0.3816]\n", + " PeriodicSite: S (18.06, 17.63, 7.87) [0.8891, 0.8679, 0.3875]\n", + " PeriodicSite: P (5.046, 0.07208, 20.17) [0.2484, 0.003548, 0.993]\n", + " PeriodicSite: P (5.111, 20.2, 10.15) [0.2516, 0.9942, 0.4997]\n", + " PeriodicSite: P (4.702, 10.1, 0.4625) [0.2315, 0.4975, 0.02277]\n", + " PeriodicSite: P (5.155, 9.997, 10.39) [0.2538, 0.4921, 0.5116]\n", + " PeriodicSite: P (15.19, 20.26, 19.8) [0.748, 0.9973, 0.9747]\n", + " PeriodicSite: P (15.3, 0.1672, 10.1) [0.7532, 0.008223, 0.4973]\n", + " PeriodicSite: P (15.1, 10.14, 20.21) [0.7434, 0.4993, 0.9948]\n", + " PeriodicSite: P (15.16, 10.32, 10.49) [0.7462, 0.5081, 0.5164]\n", + " PeriodicSite: P (5.339, 5.003, 4.882) [0.2628, 0.2463, 0.2404]\n", + " PeriodicSite: P (4.753, 5.235, 15.31) [0.234, 0.2577, 0.7536]\n", + " PeriodicSite: P (5.383, 15.4, 5.38) [0.265, 0.7583, 0.2649]\n", + " PeriodicSite: P (4.853, 15.12, 15.24) [0.2389, 0.7445, 0.7505]\n", + " PeriodicSite: P (15.34, 4.846, 4.97) [0.7551, 0.2386, 0.2447]\n", + " PeriodicSite: P (15.01, 5.455, 15.34) [0.7389, 0.2685, 0.7555]\n", + " PeriodicSite: P (15.31, 15.08, 5.185) [0.7538, 0.7424, 0.2553]\n", + " PeriodicSite: P (15.26, 15.18, 15.46) [0.7512, 0.7471, 0.7611]\n", + " PeriodicSite: P (0.01035, 20.15, 4.767) [0.0005018, 0.9922, 0.2347]\n", + " PeriodicSite: P (0.04096, 20.2, 15.67) [0.002011, 0.9943, 0.7717]\n", + " PeriodicSite: P (0.141, 10.4, 4.891) [0.006939, 0.5118, 0.2408]\n", + " PeriodicSite: P (0.004685, 10.4, 15.31) [0.00023, 0.512, 0.7536]\n", + " PeriodicSite: P (10.11, 20.23, 4.872) [0.4978, 0.996, 0.2398]\n", + " PeriodicSite: P (9.693, 0.09468, 14.76) [0.4772, 0.004658, 0.7267]\n", + " PeriodicSite: P (10.38, 10.43, 5.147) [0.5108, 0.5133, 0.2534]\n", + " PeriodicSite: P (10.02, 10.34, 15.44) [0.4932, 0.5091, 0.7603]\n", + " PeriodicSite: P (20.22, 5.378, 0.2685) [0.9954, 0.2648, 0.01323]\n", + " PeriodicSite: P (20.1, 4.897, 10.62) [0.9897, 0.2411, 0.5228]\n", + " PeriodicSite: P (20.04, 15.4, 0.05848) [0.9868, 0.758, 0.002886]\n", + " PeriodicSite: P (0.04284, 15.01, 10.53) [0.002105, 0.7392, 0.5182]\n", + " PeriodicSite: P (10.15, 5.001, 20.12) [0.4995, 0.2462, 0.9905]\n", + " PeriodicSite: P (10.15, 4.664, 9.707) [0.4999, 0.2296, 0.4779]\n", + " PeriodicSite: P (9.854, 15.27, 20.25) [0.4851, 0.7518, 0.9968]\n", + " PeriodicSite: P (10.53, 15.21, 10.31) [0.5182, 0.7488, 0.5076],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.2991, 7.015, 4.431) [0.01472, 0.3453, 0.2181]\n", + " PeriodicSite: Li (1.582, 3.472, 15.56) [0.07788, 0.1709, 0.766]\n", + " PeriodicSite: Li (0.2607, 12.85, 8.0) [0.01283, 0.6325, 0.3938]\n", + " PeriodicSite: Li (0.6094, 14.13, 17.8) [0.03, 0.6958, 0.8763]\n", + " PeriodicSite: Li (15.24, 1.185, 6.858) [0.7504, 0.05831, 0.3376]\n", + " PeriodicSite: Li (12.36, 4.73, 16.35) [0.6083, 0.2329, 0.805]\n", + " PeriodicSite: Li (15.4, 12.55, 3.796) [0.7581, 0.6177, 0.1869]\n", + " PeriodicSite: Li (16.69, 8.689, 15.84) [0.8216, 0.4278, 0.78]\n", + " PeriodicSite: Li (4.703, 4.296, 7.789) [0.2316, 0.2115, 0.3834]\n", + " PeriodicSite: Li (1.975, 0.7138, 18.71) [0.09726, 0.03514, 0.9209]\n", + " PeriodicSite: Li (3.453, 8.103, 4.61) [0.17, 0.3989, 0.2269]\n", + " PeriodicSite: Li (7.665, 9.871, 17.5) [0.3774, 0.486, 0.8615]\n", + " PeriodicSite: Li (12.3, 4.518, 6.105) [0.6055, 0.2224, 0.3006]\n", + " PeriodicSite: Li (12.25, 0.7967, 19.11) [0.603, 0.03922, 0.9409]\n", + " PeriodicSite: Li (11.76, 9.908, 11.96) [0.5789, 0.4878, 0.5887]\n", + " PeriodicSite: Li (10.12, 18.58, 18.18) [0.498, 0.9145, 0.8951]\n", + " PeriodicSite: Li (5.176, 1.337, 6.579) [0.2548, 0.06583, 0.3239]\n", + " PeriodicSite: Li (3.423, 20.11, 13.06) [0.1685, 0.9901, 0.643]\n", + " PeriodicSite: Li (3.383, 10.32, 6.999) [0.1665, 0.5083, 0.3446]\n", + " PeriodicSite: Li (6.701, 9.47, 13.68) [0.3299, 0.4662, 0.6733]\n", + " PeriodicSite: Li (12.78, 0.2614, 8.359) [0.6292, 0.01286, 0.4115]\n", + " PeriodicSite: Li (9.706, 2.587, 17.51) [0.4779, 0.1274, 0.8621]\n", + " PeriodicSite: Li (14.36, 16.01, 8.726) [0.7069, 0.788, 0.4296]\n", + " PeriodicSite: Li (12.31, 11.81, 19.7) [0.6059, 0.5813, 0.97]\n", + " PeriodicSite: Li (0.9089, 3.976, 7.587) [0.04475, 0.1958, 0.3735]\n", + " PeriodicSite: Li (0.02691, 2.702, 18.42) [0.001329, 0.133, 0.9068]\n", + " PeriodicSite: Li (2.046, 14.39, 5.973) [0.1007, 0.7083, 0.2941]\n", + " PeriodicSite: Li (3.004, 14.98, 18.71) [0.1479, 0.7373, 0.9212]\n", + " PeriodicSite: Li (12.82, 1.554, 5.206) [0.6313, 0.07651, 0.2563]\n", + " PeriodicSite: Li (13.05, 0.1836, 16.42) [0.6427, 0.009036, 0.8083]\n", + " PeriodicSite: Li (10.89, 12.41, 9.704) [0.536, 0.6108, 0.4778]\n", + " PeriodicSite: Li (16.91, 17.0, 19.96) [0.8325, 0.8369, 0.9825]\n", + " PeriodicSite: Li (7.268, 20.27, 3.434) [0.3578, 0.9981, 0.1691]\n", + " PeriodicSite: Li (0.6338, 19.16, 2.543) [0.03119, 0.9434, 0.1252]\n", + " PeriodicSite: Li (2.992, 14.58, 9.643) [0.1473, 0.7177, 0.4747]\n", + " PeriodicSite: Li (1.069, 17.09, 15.25) [0.05265, 0.8412, 0.751]\n", + " PeriodicSite: Li (15.07, 3.512, 8.13) [0.7419, 0.1729, 0.4003]\n", + " PeriodicSite: Li (14.98, 3.212, 18.41) [0.7377, 0.1581, 0.9066]\n", + " PeriodicSite: Li (17.48, 15.12, 8.187) [0.8605, 0.7444, 0.4031]\n", + " PeriodicSite: Li (9.847, 12.96, 17.2) [0.4848, 0.638, 0.8467]\n", + " PeriodicSite: Li (5.785, 2.107, 3.88) [0.2848, 0.1037, 0.191]\n", + " PeriodicSite: Li (4.041, 1.733, 16.14) [0.1989, 0.08531, 0.7945]\n", + " PeriodicSite: Li (4.687, 12.55, 6.05) [0.2307, 0.618, 0.2979]\n", + " PeriodicSite: Li (18.92, 13.54, 4.521) [0.9315, 0.6666, 0.2226]\n", + " PeriodicSite: Li (10.68, 2.398, 7.968) [0.5257, 0.118, 0.3923]\n", + " PeriodicSite: Li (17.35, 19.51, 15.88) [0.8543, 0.9605, 0.7818]\n", + " PeriodicSite: Li (13.05, 9.63, 5.189) [0.6426, 0.4741, 0.2555]\n", + " PeriodicSite: Li (13.89, 9.118, 16.64) [0.6837, 0.4489, 0.819]\n", + " PeriodicSite: Li (3.227, 12.48, 15.62) [0.1589, 0.6145, 0.7689]\n", + " PeriodicSite: Li (2.339, 11.11, 9.668) [0.1151, 0.5469, 0.476]\n", + " PeriodicSite: Li (0.2511, 16.52, 3.344) [0.01236, 0.8132, 0.1646]\n", + " PeriodicSite: Li (1.922, 0.394, 9.826) [0.09463, 0.0194, 0.4838]\n", + " PeriodicSite: Li (10.69, 6.049, 2.523) [0.5264, 0.2978, 0.1242]\n", + " PeriodicSite: Li (11.58, 7.719, 14.79) [0.57, 0.38, 0.728]\n", + " PeriodicSite: Li (11.26, 13.38, 6.127) [0.5541, 0.6585, 0.3017]\n", + " PeriodicSite: Li (14.3, 1.29, 13.38) [0.7038, 0.06352, 0.6588]\n", + " PeriodicSite: Li (2.972, 6.81, 0.6085) [0.1463, 0.3353, 0.02996]\n", + " PeriodicSite: Li (2.92, 4.443, 10.48) [0.1438, 0.2187, 0.5162]\n", + " PeriodicSite: Li (6.705, 17.2, 19.58) [0.3301, 0.8466, 0.9641]\n", + " PeriodicSite: Li (3.818, 18.01, 15.13) [0.188, 0.8867, 0.745]\n", + " PeriodicSite: Li (13.48, 4.932, 1.522) [0.6637, 0.2428, 0.07494]\n", + " PeriodicSite: Li (10.82, 6.093, 12.2) [0.5325, 0.2999, 0.6006]\n", + " PeriodicSite: Li (12.5, 17.18, 5.209) [0.6154, 0.8459, 0.2565]\n", + " PeriodicSite: Li (10.67, 17.3, 13.32) [0.5252, 0.8515, 0.6556]\n", + " PeriodicSite: Li (4.141, 10.15, 17.46) [0.2039, 0.4999, 0.8597]\n", + " PeriodicSite: Li (4.251, 6.339, 12.36) [0.2093, 0.3121, 0.6087]\n", + " PeriodicSite: Li (5.006, 16.79, 2.339) [0.2464, 0.8266, 0.1152]\n", + " PeriodicSite: Li (3.09, 17.59, 10.68) [0.1521, 0.8658, 0.5256]\n", + " PeriodicSite: Li (11.57, 9.627, 2.179) [0.5696, 0.474, 0.1073]\n", + " PeriodicSite: Li (14.32, 5.915, 12.7) [0.7048, 0.2912, 0.6251]\n", + " PeriodicSite: Li (11.15, 16.25, 2.796) [0.5491, 0.7998, 0.1377]\n", + " PeriodicSite: Li (14.1, 15.56, 12.08) [0.6943, 0.7658, 0.5947]\n", + " PeriodicSite: Li (0.2071, 8.481, 1.241) [0.01019, 0.4175, 0.06109]\n", + " PeriodicSite: Li (17.17, 6.716, 10.44) [0.8454, 0.3306, 0.514]\n", + " PeriodicSite: Li (3.172, 18.33, 4.732) [0.1562, 0.9022, 0.233]\n", + " PeriodicSite: Li (0.2334, 18.66, 12.45) [0.01148, 0.9187, 0.613]\n", + " PeriodicSite: Li (10.94, 7.627, 5.224) [0.5386, 0.3755, 0.2572]\n", + " PeriodicSite: Li (13.38, 11.73, 15.44) [0.6585, 0.5774, 0.7603]\n", + " PeriodicSite: Li (14.24, 15.42, 2.722) [0.7012, 0.759, 0.134]\n", + " PeriodicSite: Li (11.99, 15.06, 16.44) [0.5903, 0.7415, 0.8094]\n", + " PeriodicSite: Li (5.928, 7.898, 5.834) [0.2919, 0.3888, 0.2872]\n", + " PeriodicSite: Li (19.91, 12.16, 11.63) [0.9804, 0.5985, 0.5727]\n", + " PeriodicSite: Li (19.79, 17.38, 6.39) [0.9741, 0.8557, 0.3146]\n", + " PeriodicSite: Li (6.962, 18.71, 15.1) [0.3428, 0.921, 0.7434]\n", + " PeriodicSite: Li (17.73, 10.82, 4.101) [0.8728, 0.5329, 0.2019]\n", + " PeriodicSite: Li (13.07, 6.858, 10.29) [0.6437, 0.3376, 0.5063]\n", + " PeriodicSite: Li (14.1, 17.48, 0.4624) [0.694, 0.8603, 0.02277]\n", + " PeriodicSite: Li (12.46, 18.25, 10.39) [0.6135, 0.8983, 0.5116]\n", + " PeriodicSite: Li (2.721, 3.38, 0.02317) [0.134, 0.1664, 0.001142]\n", + " PeriodicSite: Li (3.357, 10.05, 13.53) [0.1652, 0.4946, 0.666]\n", + " PeriodicSite: Li (3.823, 19.86, 2.515) [0.1882, 0.9779, 0.1238]\n", + " PeriodicSite: Li (1.912, 15.67, 13.18) [0.09414, 0.7712, 0.6489]\n", + " PeriodicSite: Li (14.89, 9.204, 2.736) [0.7331, 0.4531, 0.1347]\n", + " PeriodicSite: Li (14.48, 8.724, 13.31) [0.7129, 0.4295, 0.6554]\n", + " PeriodicSite: Li (14.92, 18.26, 3.847) [0.7344, 0.8991, 0.1894]\n", + " PeriodicSite: Li (19.02, 4.828, 13.8) [0.9363, 0.2377, 0.6795]\n", + " PeriodicSite: Li (9.507, 3.073, 3.524) [0.468, 0.1513, 0.1735]\n", + " PeriodicSite: Li (9.751, 1.085, 11.71) [0.48, 0.05341, 0.5765]\n", + " PeriodicSite: Li (6.743, 10.38, 3.28) [0.3319, 0.5109, 0.1615]\n", + " PeriodicSite: Li (6.089, 12.31, 14.85) [0.2997, 0.6062, 0.731]\n", + " PeriodicSite: Li (18.37, 2.887, 4.521) [0.9044, 0.1421, 0.2226]\n", + " PeriodicSite: Li (12.8, 4.333, 9.395) [0.6301, 0.2133, 0.4625]\n", + " PeriodicSite: Li (19.84, 12.44, 1.874) [0.9765, 0.6123, 0.09225]\n", + " PeriodicSite: Li (17.64, 10.27, 13.05) [0.8685, 0.5058, 0.6425]\n", + " PeriodicSite: Li (5.825, 18.6, 5.83) [0.2868, 0.9155, 0.287]\n", + " PeriodicSite: Li (9.354, 3.167, 13.84) [0.4605, 0.1559, 0.6812]\n", + " PeriodicSite: Li (5.918, 13.64, 19.28) [0.2914, 0.6716, 0.9492]\n", + " PeriodicSite: Li (9.849, 13.36, 13.23) [0.4849, 0.6575, 0.6515]\n", + " PeriodicSite: Li (13.58, 20.01, 2.523) [0.6686, 0.985, 0.1242]\n", + " PeriodicSite: Li (18.44, 1.595, 11.02) [0.9077, 0.07852, 0.5428]\n", + " PeriodicSite: Li (17.24, 15.13, 1.739) [0.8487, 0.7448, 0.08563]\n", + " PeriodicSite: Li (17.51, 14.86, 12.55) [0.8622, 0.7315, 0.6177]\n", + " PeriodicSite: Li (8.369, 4.928, 6.536) [0.412, 0.2426, 0.3218]\n", + " PeriodicSite: Li (6.662, 0.3338, 12.39) [0.328, 0.01643, 0.6101]\n", + " PeriodicSite: Li (10.09, 12.61, 2.18) [0.4969, 0.6207, 0.1073]\n", + " PeriodicSite: Li (4.851, 13.48, 12.17) [0.2388, 0.6634, 0.5994]\n", + " PeriodicSite: Li (19.88, 2.128, 1.925) [0.9789, 0.1047, 0.09479]\n", + " PeriodicSite: Li (0.0755, 8.327, 12.37) [0.003717, 0.41, 0.6089]\n", + " PeriodicSite: Li (16.45, 13.2, 0.604) [0.8097, 0.6497, 0.02974]\n", + " PeriodicSite: Li (15.3, 12.17, 13.56) [0.7535, 0.5994, 0.6678]\n", + " PeriodicSite: Li (2.497, 0.8235, 5.974) [0.1229, 0.04054, 0.2941]\n", + " PeriodicSite: Li (6.782, 1.88, 14.85) [0.3339, 0.09257, 0.7311]\n", + " PeriodicSite: Li (5.315, 13.22, 2.379) [0.2617, 0.6507, 0.1171]\n", + " PeriodicSite: Li (8.752, 7.109, 15.68) [0.4309, 0.35, 0.772]\n", + " PeriodicSite: Li (16.98, 4.905, 1.977) [0.8361, 0.2415, 0.09735]\n", + " PeriodicSite: Li (15.17, 18.67, 13.14) [0.747, 0.9193, 0.6467]\n", + " PeriodicSite: Li (13.08, 14.86, 19.75) [0.6441, 0.7317, 0.9725]\n", + " PeriodicSite: Li (16.97, 13.12, 10.79) [0.8355, 0.646, 0.5312]\n", + " PeriodicSite: Li (6.103, 3.032, 0.3016) [0.3005, 0.1493, 0.01485]\n", + " PeriodicSite: Li (5.122, 2.951, 12.01) [0.2522, 0.1453, 0.591]\n", + " PeriodicSite: Li (7.989, 11.08, 0.6539) [0.3933, 0.5453, 0.0322]\n", + " PeriodicSite: Li (7.862, 11.42, 11.06) [0.387, 0.5623, 0.5446]\n", + " PeriodicSite: Li (15.47, 1.969, 3.641) [0.7615, 0.09694, 0.1793]\n", + " PeriodicSite: Li (16.7, 3.611, 10.65) [0.8219, 0.1778, 0.5243]\n", + " PeriodicSite: Li (1.254, 10.67, 18.84) [0.06172, 0.5252, 0.9277]\n", + " PeriodicSite: Li (19.07, 13.17, 14.98) [0.9387, 0.6486, 0.7374]\n", + " PeriodicSite: Li (8.011, 0.7602, 0.2439) [0.3944, 0.03742, 0.01201]\n", + " PeriodicSite: Li (7.05, 2.965, 10.07) [0.3471, 0.146, 0.4958]\n", + " PeriodicSite: Li (7.92, 13.74, 4.794) [0.3899, 0.6766, 0.236]\n", + " PeriodicSite: Li (4.988, 17.12, 12.43) [0.2456, 0.8427, 0.612]\n", + " PeriodicSite: Li (16.26, 2.993, 0.5358) [0.8005, 0.1473, 0.02638]\n", + " PeriodicSite: Li (2.168, 7.218, 15.22) [0.1068, 0.3553, 0.7494]\n", + " PeriodicSite: Li (4.944, 13.06, 8.604) [0.2434, 0.6431, 0.4236]\n", + " PeriodicSite: Li (13.89, 13.34, 10.29) [0.6837, 0.6568, 0.5064]\n", + " PeriodicSite: Li (14.64, 11.8, 7.195) [0.7208, 0.5807, 0.3542]\n", + " PeriodicSite: Li (5.743, 7.898, 16.05) [0.2827, 0.3888, 0.79]\n", + " PeriodicSite: Li (7.159, 15.43, 11.35) [0.3524, 0.7595, 0.559]\n", + " PeriodicSite: Li (3.159, 17.31, 20.12) [0.1555, 0.852, 0.9906]\n", + " PeriodicSite: Li (16.8, 9.782, 6.958) [0.8269, 0.4815, 0.3426]\n", + " PeriodicSite: Li (2.752, 5.455, 18.53) [0.1355, 0.2685, 0.9122]\n", + " PeriodicSite: Li (17.47, 0.0762, 3.935) [0.8599, 0.003744, 0.1937]\n", + " PeriodicSite: Li (19.65, 18.96, 18.19) [0.9674, 0.9335, 0.8953]\n", + " PeriodicSite: Li (7.072, 10.25, 6.891) [0.3482, 0.5044, 0.3393]\n", + " PeriodicSite: Li (7.037, 5.076, 18.47) [0.3464, 0.2499, 0.9093]\n", + " PeriodicSite: Li (8.076, 20.03, 7.773) [0.3976, 0.9863, 0.3827]\n", + " PeriodicSite: Li (7.94, 15.84, 16.2) [0.3909, 0.78, 0.7977]\n", + " PeriodicSite: Li (18.31, 9.64, 9.145) [0.9014, 0.4746, 0.4502]\n", + " PeriodicSite: Li (17.04, 6.59, 20.0) [0.8387, 0.3244, 0.9846]\n", + " PeriodicSite: Li (17.66, 19.51, 8.853) [0.8693, 0.9606, 0.4359]\n", + " PeriodicSite: Li (18.39, 16.02, 16.48) [0.9053, 0.7887, 0.8112]\n", + " PeriodicSite: Li (6.141, 6.83, 9.208) [0.3023, 0.3362, 0.4533]\n", + " PeriodicSite: Li (4.716, 3.544, 18.36) [0.2322, 0.1745, 0.9039]\n", + " PeriodicSite: Li (9.158, 18.08, 9.229) [0.4508, 0.8899, 0.4543]\n", + " PeriodicSite: Li (16.81, 11.61, 16.6) [0.8278, 0.5716, 0.8174]\n", + " PeriodicSite: Li (0.08682, 7.628, 8.067) [0.004273, 0.3755, 0.3971]\n", + " PeriodicSite: Li (17.97, 5.516, 17.0) [0.8847, 0.2716, 0.8369]\n", + " PeriodicSite: Li (16.88, 16.82, 10.26) [0.8309, 0.8282, 0.5049]\n", + " PeriodicSite: Li (15.36, 14.17, 18.52) [0.7563, 0.6978, 0.9117]\n", + " PeriodicSite: Li (9.648, 8.518, 8.78) [0.475, 0.4193, 0.4322]\n", + " PeriodicSite: Li (5.697, 5.876, 1.997) [0.2805, 0.2893, 0.09831]\n", + " PeriodicSite: Li (5.699, 17.0, 8.838) [0.2806, 0.8369, 0.4351]\n", + " PeriodicSite: Li (7.787, 14.84, 1.36) [0.3834, 0.7306, 0.06694]\n", + " PeriodicSite: Li (15.66, 6.97, 8.162) [0.7709, 0.3432, 0.4018]\n", + " PeriodicSite: Li (20.16, 7.368, 17.43) [0.9923, 0.3627, 0.8583]\n", + " PeriodicSite: Li (16.54, 18.48, 6.164) [0.8143, 0.91, 0.3035]\n", + " PeriodicSite: Li (15.34, 18.44, 16.86) [0.755, 0.9078, 0.8299]\n", + " PeriodicSite: Li (7.026, 4.858, 12.12) [0.3459, 0.2392, 0.5968]\n", + " PeriodicSite: Li (5.671, 7.518, 19.25) [0.2792, 0.3701, 0.9477]\n", + " PeriodicSite: Li (9.338, 17.45, 5.615) [0.4597, 0.8589, 0.2765]\n", + " PeriodicSite: Li (10.76, 19.22, 1.725) [0.5295, 0.9461, 0.08495]\n", + " PeriodicSite: Li (17.16, 7.748, 4.968) [0.8446, 0.3814, 0.2446]\n", + " PeriodicSite: Li (13.69, 6.265, 18.97) [0.6738, 0.3084, 0.934]\n", + " PeriodicSite: Li (19.91, 17.9, 9.091) [0.9804, 0.8812, 0.4476]\n", + " PeriodicSite: Li (18.22, 1.05, 0.07857) [0.8969, 0.05168, 0.003873]\n", + " PeriodicSite: Li (2.927, 10.54, 3.423) [0.1441, 0.5188, 0.1685]\n", + " PeriodicSite: Li (10.09, 8.127, 19.28) [0.4967, 0.4001, 0.9491]\n", + " PeriodicSite: Li (8.038, 15.56, 7.601) [0.3957, 0.766, 0.3742]\n", + " PeriodicSite: Li (5.894, 0.00402, 17.2) [0.2902, 0.0001966, 0.8465]\n", + " PeriodicSite: Li (18.27, 5.378, 7.2) [0.8996, 0.2647, 0.3545]\n", + " PeriodicSite: Li (17.98, 10.65, 19.9) [0.8852, 0.5245, 0.9795]\n", + " PeriodicSite: Li (3.038, 15.2, 1.706) [0.1496, 0.7484, 0.08398]\n", + " PeriodicSite: Li (17.08, 1.824, 14.75) [0.8407, 0.08979, 0.7263]\n", + " PeriodicSite: Cl (7.356, 13.38, 12.67) [0.3622, 0.6586, 0.6239]\n", + " PeriodicSite: Cl (2.877, 12.62, 18.06) [0.1416, 0.6214, 0.8889]\n", + " PeriodicSite: Cl (12.9, 17.99, 12.49) [0.6349, 0.8856, 0.615]\n", + " PeriodicSite: Cl (17.7, 7.896, 17.67) [0.8713, 0.3887, 0.87]\n", + " PeriodicSite: Cl (7.608, 2.069, 2.038) [0.3746, 0.1018, 0.1003]\n", + " PeriodicSite: Cl (7.357, 7.745, 7.598) [0.3622, 0.3813, 0.374]\n", + " PeriodicSite: Cl (12.72, 12.7, 8.218) [0.6264, 0.6254, 0.4046]\n", + " PeriodicSite: Cl (2.235, 7.646, 2.639) [0.11, 0.3764, 0.1299]\n", + " PeriodicSite: Cl (2.498, 7.735, 12.91) [0.123, 0.3808, 0.6355]\n", + " PeriodicSite: Cl (12.34, 12.96, 17.73) [0.6073, 0.6381, 0.873]\n", + " PeriodicSite: Cl (17.49, 17.84, 17.76) [0.8609, 0.8781, 0.8743]\n", + " PeriodicSite: Cl (2.939, 2.336, 7.577) [0.1447, 0.115, 0.373]\n", + " PeriodicSite: Cl (12.62, 2.204, 17.4) [0.6214, 0.1085, 0.8567]\n", + " PeriodicSite: Cl (12.7, 7.998, 3.545) [0.6254, 0.3937, 0.1745]\n", + " PeriodicSite: Cl (17.37, 3.034, 12.87) [0.8552, 0.1494, 0.6337]\n", + " PeriodicSite: Cl (7.698, 17.85, 17.34) [0.379, 0.8789, 0.8536]\n", + " PeriodicSite: Cl (0.05221, 0.2992, 20.11) [0.002576, 0.01473, 0.9901]\n", + " PeriodicSite: Cl (20.24, 19.89, 10.41) [0.9966, 0.9792, 0.5126]\n", + " PeriodicSite: Cl (20.07, 10.58, 0.5676) [0.9879, 0.5208, 0.02795]\n", + " PeriodicSite: Cl (20.31, 10.08, 10.61) [0.9999, 0.4962, 0.5226]\n", + " PeriodicSite: Cl (10.0, 20.19, 19.84) [0.4925, 0.994, 0.9767]\n", + " PeriodicSite: Cl (9.962, 0.04266, 9.471) [0.4904, 0.002097, 0.4663]\n", + " PeriodicSite: Cl (10.42, 10.52, 0.1478) [0.5129, 0.5177, 0.007282]\n", + " PeriodicSite: Cl (9.846, 10.2, 10.77) [0.4847, 0.502, 0.5303]\n", + " PeriodicSite: Cl (19.78, 4.793, 5.442) [0.9737, 0.2359, 0.2679]\n", + " PeriodicSite: Cl (20.11, 4.924, 15.83) [0.9901, 0.2424, 0.7795]\n", + " PeriodicSite: Cl (0.01292, 15.24, 5.468) [0.0006307, 0.7505, 0.2692]\n", + " PeriodicSite: Cl (0.2282, 15.19, 15.41) [0.01123, 0.7478, 0.7587]\n", + " PeriodicSite: Cl (10.13, 5.168, 4.825) [0.4987, 0.2544, 0.2375]\n", + " PeriodicSite: Cl (10.26, 5.355, 14.48) [0.5052, 0.2636, 0.7129]\n", + " PeriodicSite: Cl (9.786, 15.15, 5.144) [0.4818, 0.7457, 0.2532]\n", + " PeriodicSite: Cl (9.718, 15.28, 15.07) [0.4784, 0.7522, 0.742]\n", + " PeriodicSite: S (4.889, 20.27, 4.55) [0.2407, 0.9979, 0.224]\n", + " PeriodicSite: S (5.168, 0.1039, 14.87) [0.2544, 0.005115, 0.7318]\n", + " PeriodicSite: S (5.091, 10.14, 5.146) [0.2506, 0.4994, 0.2533]\n", + " PeriodicSite: S (4.889, 10.41, 15.35) [0.2407, 0.5124, 0.7556]\n", + " PeriodicSite: S (15.3, 20.2, 4.825) [0.753, 0.9946, 0.2375]\n", + " PeriodicSite: S (15.2, 20.27, 15.18) [0.7485, 0.9978, 0.7473]\n", + " PeriodicSite: S (15.4, 10.16, 5.001) [0.7581, 0.4999, 0.2462]\n", + " PeriodicSite: S (15.27, 10.48, 15.26) [0.7517, 0.516, 0.7512]\n", + " PeriodicSite: S (4.81, 5.09, 20.16) [0.2368, 0.2506, 0.9926]\n", + " PeriodicSite: S (5.156, 4.85, 10.36) [0.2538, 0.2388, 0.5101]\n", + " PeriodicSite: S (5.025, 15.45, 0.2043) [0.2474, 0.7605, 0.01006]\n", + " PeriodicSite: S (4.931, 15.56, 10.57) [0.2427, 0.7662, 0.5205]\n", + " PeriodicSite: S (15.23, 5.0, 0.04828) [0.75, 0.2461, 0.002382]\n", + " PeriodicSite: S (15.07, 5.233, 10.03) [0.7421, 0.2576, 0.4937]\n", + " PeriodicSite: S (15.25, 15.21, 0.2563) [0.7505, 0.749, 0.01262]\n", + " PeriodicSite: S (15.52, 15.02, 10.39) [0.7639, 0.7393, 0.5115]\n", + " PeriodicSite: S (8.654, 3.621, 8.49) [0.4261, 0.1783, 0.418]\n", + " PeriodicSite: S (8.666, 3.814, 19.31) [0.4266, 0.1877, 0.9505]\n", + " PeriodicSite: S (9.251, 13.91, 9.328) [0.4554, 0.6849, 0.4593]\n", + " PeriodicSite: S (8.591, 14.05, 19.28) [0.423, 0.6918, 0.949]\n", + " PeriodicSite: S (19.06, 3.762, 9.226) [0.9385, 0.1852, 0.4542]\n", + " PeriodicSite: S (18.64, 4.207, 19.4) [0.9176, 0.2071, 0.9551]\n", + " PeriodicSite: S (19.17, 13.77, 9.463) [0.9437, 0.6779, 0.4659]\n", + " PeriodicSite: S (18.83, 14.0, 19.5) [0.9273, 0.6892, 0.9599]\n", + " PeriodicSite: S (3.938, 1.312, 0.8351) [0.1939, 0.06458, 0.04111]\n", + " PeriodicSite: S (3.662, 1.178, 10.97) [0.1803, 0.05799, 0.5398]\n", + " PeriodicSite: S (4.004, 11.46, 1.37) [0.1971, 0.5642, 0.06747]\n", + " PeriodicSite: S (4.074, 11.17, 11.51) [0.2006, 0.5501, 0.5667]\n", + " PeriodicSite: S (14.06, 1.368, 0.8034) [0.6923, 0.06734, 0.03956]\n", + " PeriodicSite: S (13.79, 0.9914, 11.1) [0.679, 0.0488, 0.5463]\n", + " PeriodicSite: S (14.04, 11.35, 1.298) [0.691, 0.5586, 0.06389]\n", + " PeriodicSite: S (14.42, 11.38, 11.35) [0.71, 0.5601, 0.5586]\n", + " PeriodicSite: S (6.274, 1.156, 8.86) [0.3089, 0.05691, 0.4362]\n", + " PeriodicSite: S (6.343, 1.413, 18.91) [0.3123, 0.06958, 0.9311]\n", + " PeriodicSite: S (6.328, 11.27, 9.22) [0.3115, 0.5546, 0.4539]\n", + " PeriodicSite: S (6.269, 11.14, 19.32) [0.3086, 0.5483, 0.9512]\n", + " PeriodicSite: S (16.64, 1.501, 9.21) [0.819, 0.0739, 0.4534]\n", + " PeriodicSite: S (16.33, 0.9253, 18.67) [0.8039, 0.04555, 0.9193]\n", + " PeriodicSite: S (16.45, 11.08, 8.876) [0.8097, 0.5454, 0.437]\n", + " PeriodicSite: S (16.04, 11.57, 19.09) [0.7898, 0.5694, 0.9397]\n", + " PeriodicSite: S (0.785, 3.913, 1.259) [0.03865, 0.1927, 0.06197]\n", + " PeriodicSite: S (1.114, 3.919, 11.83) [0.05483, 0.1929, 0.5826]\n", + " PeriodicSite: S (0.6877, 14.42, 1.43) [0.03385, 0.7101, 0.07038]\n", + " PeriodicSite: S (1.172, 14.01, 11.67) [0.05768, 0.6899, 0.5746]\n", + " PeriodicSite: S (11.18, 4.298, 1.124) [0.5502, 0.2116, 0.05533]\n", + " PeriodicSite: S (10.93, 3.77, 10.83) [0.5379, 0.1856, 0.5332]\n", + " PeriodicSite: S (11.32, 14.32, 0.9848) [0.5573, 0.705, 0.04849]\n", + " PeriodicSite: S (11.58, 14.3, 11.54) [0.57, 0.704, 0.568]\n", + " PeriodicSite: S (2.267, 3.008, 17.84) [0.1116, 0.1481, 0.878]\n", + " PeriodicSite: S (2.777, 12.74, 7.857) [0.1367, 0.6274, 0.3868]\n", + " PeriodicSite: S (12.97, 2.433, 7.444) [0.6387, 0.1198, 0.3665]\n", + " PeriodicSite: S (9.097, 8.958, 4.31) [0.4478, 0.441, 0.2122]\n", + " PeriodicSite: S (9.373, 8.702, 13.91) [0.4614, 0.4284, 0.6847]\n", + " PeriodicSite: S (9.376, 18.72, 3.592) [0.4616, 0.9214, 0.1768]\n", + " PeriodicSite: S (9.003, 19.2, 13.36) [0.4432, 0.9453, 0.6578]\n", + " PeriodicSite: S (19.21, 8.983, 3.927) [0.9459, 0.4422, 0.1934]\n", + " PeriodicSite: S (19.18, 8.945, 14.57) [0.9441, 0.4404, 0.7171]\n", + " PeriodicSite: S (19.08, 18.5, 4.044) [0.9394, 0.9108, 0.1991]\n", + " PeriodicSite: S (19.35, 18.88, 14.39) [0.9525, 0.9293, 0.7085]\n", + " PeriodicSite: S (4.234, 6.047, 6.265) [0.2084, 0.2977, 0.3085]\n", + " PeriodicSite: S (3.899, 6.384, 16.37) [0.1919, 0.3143, 0.8058]\n", + " PeriodicSite: S (4.031, 16.7, 6.383) [0.1984, 0.8221, 0.3143]\n", + " PeriodicSite: S (3.772, 16.17, 16.89) [0.1857, 0.7959, 0.8316]\n", + " PeriodicSite: S (13.99, 6.047, 6.097) [0.6887, 0.2977, 0.3002]\n", + " PeriodicSite: S (14.04, 6.539, 16.57) [0.6912, 0.3219, 0.816]\n", + " PeriodicSite: S (14.56, 16.8, 6.408) [0.7169, 0.8271, 0.3155]\n", + " PeriodicSite: S (14.37, 16.03, 16.93) [0.7074, 0.7892, 0.8333]\n", + " PeriodicSite: S (6.776, 6.293, 4.07) [0.3336, 0.3098, 0.2004]\n", + " PeriodicSite: S (6.476, 6.033, 14.31) [0.3188, 0.297, 0.7043]\n", + " PeriodicSite: S (6.409, 16.32, 3.998) [0.3155, 0.8035, 0.1968]\n", + " PeriodicSite: S (6.029, 16.65, 14.42) [0.2968, 0.8196, 0.71]\n", + " PeriodicSite: S (16.3, 6.01, 3.846) [0.8027, 0.2959, 0.1894]\n", + " PeriodicSite: S (16.33, 6.389, 14.18) [0.8039, 0.3145, 0.6983]\n", + " PeriodicSite: S (16.42, 16.24, 3.78) [0.8081, 0.7996, 0.1861]\n", + " PeriodicSite: S (16.17, 16.34, 13.96) [0.7958, 0.8046, 0.6873]\n", + " PeriodicSite: S (1.326, 8.909, 6.133) [0.06526, 0.4386, 0.302]\n", + " PeriodicSite: S (1.159, 9.029, 16.86) [0.05707, 0.4445, 0.83]\n", + " PeriodicSite: S (1.224, 19.15, 6.39) [0.06027, 0.9426, 0.3146]\n", + " PeriodicSite: S (1.353, 19.08, 16.69) [0.06661, 0.9394, 0.8218]\n", + " PeriodicSite: S (11.23, 9.562, 7.036) [0.5531, 0.4707, 0.3464]\n", + " PeriodicSite: S (11.04, 9.362, 16.64) [0.5437, 0.4609, 0.819]\n", + " PeriodicSite: S (11.39, 19.15, 6.075) [0.5607, 0.9427, 0.2991]\n", + " PeriodicSite: S (11.1, 19.1, 16.02) [0.5467, 0.9404, 0.7885]\n", + " PeriodicSite: S (2.507, 17.47, 2.748) [0.1234, 0.8601, 0.1353]\n", + " PeriodicSite: S (2.534, 17.94, 13.18) [0.1248, 0.8831, 0.6487]\n", + " PeriodicSite: S (12.75, 7.536, 12.57) [0.6275, 0.371, 0.6186]\n", + " PeriodicSite: S (12.97, 17.58, 2.538) [0.6383, 0.8656, 0.125]\n", + " PeriodicSite: S (4.218, 4.292, 3.349) [0.2077, 0.2113, 0.1649]\n", + " PeriodicSite: S (3.845, 4.296, 13.88) [0.1893, 0.2115, 0.6833]\n", + " PeriodicSite: S (3.845, 14.05, 4.162) [0.1893, 0.6918, 0.2049]\n", + " PeriodicSite: S (3.796, 14.2, 14.24) [0.1869, 0.6992, 0.7008]\n", + " PeriodicSite: S (13.71, 3.634, 3.95) [0.6748, 0.1789, 0.1945]\n", + " PeriodicSite: S (13.94, 4.144, 14.34) [0.6863, 0.204, 0.706]\n", + " PeriodicSite: S (13.79, 14.2, 4.413) [0.6791, 0.6989, 0.2172]\n", + " PeriodicSite: S (13.91, 13.87, 14.46) [0.685, 0.6828, 0.712]\n", + " PeriodicSite: S (9.075, 1.048, 5.845) [0.4468, 0.0516, 0.2878]\n", + " PeriodicSite: S (8.698, 1.174, 15.92) [0.4282, 0.05781, 0.7838]\n", + " PeriodicSite: S (8.767, 11.78, 6.218) [0.4316, 0.5797, 0.3061]\n", + " PeriodicSite: S (8.609, 11.48, 15.82) [0.4238, 0.5652, 0.7786]\n", + " PeriodicSite: S (18.74, 0.9006, 6.005) [0.9224, 0.04433, 0.2957]\n", + " PeriodicSite: S (19.25, 0.8779, 16.71) [0.9479, 0.04321, 0.8228]\n", + " PeriodicSite: S (19.25, 11.22, 6.637) [0.9479, 0.5522, 0.3268]\n", + " PeriodicSite: S (19.39, 11.66, 16.89) [0.9547, 0.5742, 0.8313]\n", + " PeriodicSite: S (1.098, 0.6866, 3.818) [0.05408, 0.0338, 0.188]\n", + " PeriodicSite: S (1.249, 0.9531, 14.03) [0.06151, 0.04692, 0.6905]\n", + " PeriodicSite: S (0.7324, 11.78, 4.076) [0.03605, 0.5797, 0.2007]\n", + " PeriodicSite: S (1.319, 11.31, 14.27) [0.06492, 0.557, 0.7028]\n", + " PeriodicSite: S (11.38, 0.9079, 3.293) [0.5602, 0.04469, 0.1621]\n", + " PeriodicSite: S (11.04, 1.49, 13.78) [0.5436, 0.07337, 0.6782]\n", + " PeriodicSite: S (11.5, 11.36, 4.58) [0.566, 0.5593, 0.2255]\n", + " PeriodicSite: S (11.42, 11.44, 14.04) [0.5622, 0.5633, 0.6914]\n", + " PeriodicSite: S (6.365, 3.466, 5.821) [0.3133, 0.1707, 0.2866]\n", + " PeriodicSite: S (5.84, 3.617, 16.43) [0.2875, 0.1781, 0.8087]\n", + " PeriodicSite: S (6.402, 14.16, 6.483) [0.3152, 0.6971, 0.3192]\n", + " PeriodicSite: S (6.384, 14.25, 16.66) [0.3143, 0.7015, 0.8203]\n", + " PeriodicSite: S (16.17, 3.463, 6.06) [0.796, 0.1705, 0.2984]\n", + " PeriodicSite: S (16.43, 3.889, 16.56) [0.809, 0.1915, 0.8152]\n", + " PeriodicSite: S (16.66, 13.91, 6.211) [0.82, 0.6846, 0.3058]\n", + " PeriodicSite: S (16.93, 14.01, 16.27) [0.8337, 0.6898, 0.8008]\n", + " PeriodicSite: S (7.39, 2.522, 12.39) [0.3638, 0.1242, 0.6102]\n", + " PeriodicSite: S (7.617, 12.61, 2.382) [0.375, 0.6209, 0.1173]\n", + " PeriodicSite: S (17.66, 2.01, 2.292) [0.8694, 0.09893, 0.1128]\n", + " PeriodicSite: S (17.67, 12.84, 2.685) [0.8701, 0.632, 0.1322]\n", + " PeriodicSite: S (17.88, 12.6, 12.84) [0.88, 0.6204, 0.6322]\n", + " PeriodicSite: S (3.83, 8.874, 9.15) [0.1886, 0.4369, 0.4505]\n", + " PeriodicSite: S (3.618, 8.83, 19.46) [0.1781, 0.4347, 0.958]\n", + " PeriodicSite: S (3.756, 19.07, 8.837) [0.1849, 0.9388, 0.4351]\n", + " PeriodicSite: S (4.04, 19.12, 18.77) [0.1989, 0.9411, 0.924]\n", + " PeriodicSite: S (13.96, 8.876, 9.114) [0.6873, 0.437, 0.4487]\n", + " PeriodicSite: S (13.57, 9.173, 19.12) [0.6683, 0.4516, 0.9412]\n", + " PeriodicSite: S (14.7, 19.16, 8.623) [0.7236, 0.9432, 0.4245]\n", + " PeriodicSite: S (13.7, 19.22, 18.83) [0.6745, 0.9462, 0.9272]\n", + " PeriodicSite: S (9.022, 6.772, 0.7676) [0.4442, 0.3334, 0.03779]\n", + " PeriodicSite: S (8.654, 6.237, 10.87) [0.4261, 0.3071, 0.535]\n", + " PeriodicSite: S (8.893, 16.95, 0.5321) [0.4378, 0.8347, 0.0262]\n", + " PeriodicSite: S (9.046, 16.72, 11.19) [0.4454, 0.8229, 0.5509]\n", + " PeriodicSite: S (18.93, 6.547, 1.454) [0.9322, 0.3223, 0.07157]\n", + " PeriodicSite: S (19.17, 6.121, 11.59) [0.944, 0.3013, 0.5708]\n", + " PeriodicSite: S (18.87, 16.89, 0.9901) [0.9291, 0.8314, 0.04875]\n", + " PeriodicSite: S (19.17, 16.39, 11.68) [0.9438, 0.807, 0.5749]\n", + " PeriodicSite: S (1.347, 5.775, 9.135) [0.06632, 0.2843, 0.4497]\n", + " PeriodicSite: S (0.8357, 6.556, 19.5) [0.04114, 0.3228, 0.9599]\n", + " PeriodicSite: S (1.124, 16.2, 9.076) [0.05533, 0.7974, 0.4468]\n", + " PeriodicSite: S (0.8739, 16.31, 18.86) [0.04302, 0.8031, 0.9286]\n", + " PeriodicSite: S (11.05, 5.979, 8.473) [0.544, 0.2943, 0.4171]\n", + " PeriodicSite: S (11.26, 6.103, 18.61) [0.5542, 0.3005, 0.9161]\n", + " PeriodicSite: S (11.57, 16.67, 8.852) [0.5695, 0.8208, 0.4358]\n", + " PeriodicSite: S (11.2, 16.25, 18.46) [0.5515, 0.8001, 0.9086]\n", + " PeriodicSite: S (6.162, 8.647, 1.302) [0.3034, 0.4257, 0.06409]\n", + " PeriodicSite: S (6.417, 8.553, 11.35) [0.3159, 0.4211, 0.5588]\n", + " PeriodicSite: S (6.296, 19.18, 0.8489) [0.3099, 0.944, 0.0418]\n", + " PeriodicSite: S (6.082, 18.86, 11.12) [0.2994, 0.9284, 0.5473]\n", + " PeriodicSite: S (16.19, 8.816, 0.8285) [0.7971, 0.434, 0.04079]\n", + " PeriodicSite: S (16.64, 8.977, 11.41) [0.8194, 0.4419, 0.5616]\n", + " PeriodicSite: S (16.22, 18.98, 0.6583) [0.7985, 0.9344, 0.03241]\n", + " PeriodicSite: S (16.73, 19.32, 11.14) [0.8238, 0.9513, 0.5483]\n", + " PeriodicSite: S (7.596, 7.413, 17.68) [0.3739, 0.3649, 0.8704]\n", + " PeriodicSite: S (7.765, 17.88, 7.411) [0.3823, 0.8803, 0.3649]\n", + " PeriodicSite: S (18.12, 7.877, 7.8) [0.8919, 0.3878, 0.384]\n", + " PeriodicSite: S (17.91, 17.37, 7.773) [0.8817, 0.8553, 0.3827]\n", + " PeriodicSite: P (5.078, 0.03534, 20.0) [0.25, 0.001739, 0.9844]\n", + " PeriodicSite: P (4.988, 20.21, 9.928) [0.2456, 0.9951, 0.4888]\n", + " PeriodicSite: P (5.07, 10.03, 0.2957) [0.2496, 0.4937, 0.01456]\n", + " PeriodicSite: P (5.207, 9.926, 10.39) [0.2564, 0.4886, 0.5115]\n", + " PeriodicSite: P (15.1, 20.29, 19.97) [0.7432, 0.9987, 0.9832]\n", + " PeriodicSite: P (15.32, 0.1063, 10.08) [0.7544, 0.005225, 0.4963]\n", + " PeriodicSite: P (15.0, 10.19, 20.24) [0.7385, 0.5015, 0.9966]\n", + " PeriodicSite: P (15.31, 9.943, 10.18) [0.7537, 0.4895, 0.5011]\n", + " PeriodicSite: P (5.323, 5.001, 4.862) [0.2621, 0.2462, 0.2393]\n", + " PeriodicSite: P (5.048, 5.046, 15.28) [0.2485, 0.2484, 0.7525]\n", + " PeriodicSite: P (5.178, 15.33, 5.238) [0.2549, 0.7546, 0.2579]\n", + " PeriodicSite: P (5.011, 15.33, 15.66) [0.2467, 0.7548, 0.7711]\n", + " PeriodicSite: P (15.01, 4.766, 4.925) [0.7389, 0.2346, 0.2425]\n", + " PeriodicSite: P (15.22, 5.155, 15.42) [0.7493, 0.2538, 0.7591]\n", + " PeriodicSite: P (15.49, 15.29, 5.23) [0.7626, 0.7526, 0.2575]\n", + " PeriodicSite: P (15.34, 15.1, 15.36) [0.7554, 0.7434, 0.7564]\n", + " PeriodicSite: P (20.18, 19.93, 5.122) [0.9935, 0.981, 0.2522]\n", + " PeriodicSite: P (0.1665, 20.14, 15.41) [0.008194, 0.9918, 0.7589]\n", + " PeriodicSite: P (20.29, 10.21, 5.258) [0.9991, 0.5027, 0.2589]\n", + " PeriodicSite: P (0.05909, 10.32, 15.63) [0.002908, 0.508, 0.7696]\n", + " PeriodicSite: P (10.3, 20.1, 4.678) [0.5073, 0.9897, 0.2303]\n", + " PeriodicSite: P (10.04, 0.05501, 14.75) [0.4945, 0.002705, 0.726]\n", + " PeriodicSite: P (9.958, 10.43, 5.477) [0.4902, 0.5134, 0.2697]\n", + " PeriodicSite: P (10.11, 10.18, 15.09) [0.4978, 0.5014, 0.7431]\n", + " PeriodicSite: P (19.92, 5.182, 0.2175) [0.9808, 0.2551, 0.01071]\n", + " PeriodicSite: P (20.24, 4.948, 10.4) [0.9966, 0.2436, 0.5119]\n", + " PeriodicSite: P (19.98, 15.5, 0.01007) [0.9839, 0.7633, 0.0005024]\n", + " PeriodicSite: P (20.29, 15.19, 10.44) [0.999, 0.7479, 0.5138]\n", + " PeriodicSite: P (10.06, 5.308, 20.06) [0.4951, 0.2613, 0.9875]\n", + " PeriodicSite: P (9.76, 4.905, 9.73) [0.4805, 0.2415, 0.479]\n", + " PeriodicSite: P (9.996, 15.45, 19.86) [0.4921, 0.7607, 0.9778]\n", + " PeriodicSite: P (10.49, 15.46, 10.15) [0.5167, 0.7612, 0.4999],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.404, 6.885, 4.368) [0.01989, 0.339, 0.215]\n", + " PeriodicSite: Li (1.198, 3.362, 15.3) [0.059, 0.1655, 0.7533]\n", + " PeriodicSite: Li (0.1836, 12.83, 7.569) [0.009037, 0.6314, 0.3726]\n", + " PeriodicSite: Li (0.434, 13.42, 17.67) [0.02136, 0.6606, 0.87]\n", + " PeriodicSite: Li (15.45, 1.544, 6.531) [0.7604, 0.076, 0.3215]\n", + " PeriodicSite: Li (12.02, 3.975, 15.65) [0.5918, 0.1957, 0.7707]\n", + " PeriodicSite: Li (15.31, 12.18, 3.374) [0.7535, 0.5994, 0.1661]\n", + " PeriodicSite: Li (17.04, 8.354, 16.03) [0.8389, 0.4113, 0.7894]\n", + " PeriodicSite: Li (5.144, 4.067, 8.072) [0.2532, 0.2002, 0.3974]\n", + " PeriodicSite: Li (2.179, 0.2844, 18.4) [0.1073, 0.014, 0.9058]\n", + " PeriodicSite: Li (3.318, 7.977, 4.988) [0.1633, 0.3927, 0.2456]\n", + " PeriodicSite: Li (7.252, 10.1, 17.04) [0.357, 0.4972, 0.8387]\n", + " PeriodicSite: Li (12.19, 4.507, 6.027) [0.6001, 0.2219, 0.2967]\n", + " PeriodicSite: Li (12.09, 1.712, 19.76) [0.5953, 0.0843, 0.9726]\n", + " PeriodicSite: Li (11.75, 9.782, 11.92) [0.5787, 0.4816, 0.5866]\n", + " PeriodicSite: Li (10.66, 18.51, 17.92) [0.5249, 0.9111, 0.8824]\n", + " PeriodicSite: Li (5.136, 1.519, 6.527) [0.2529, 0.07479, 0.3214]\n", + " PeriodicSite: Li (3.226, 19.98, 13.08) [0.1588, 0.9838, 0.6442]\n", + " PeriodicSite: Li (2.993, 10.35, 6.934) [0.1474, 0.5097, 0.3414]\n", + " PeriodicSite: Li (6.404, 8.898, 13.9) [0.3153, 0.4381, 0.6842]\n", + " PeriodicSite: Li (12.56, 0.4151, 8.18) [0.6183, 0.02043, 0.4027]\n", + " PeriodicSite: Li (9.962, 2.061, 18.09) [0.4904, 0.1015, 0.8905]\n", + " PeriodicSite: Li (13.92, 16.72, 9.133) [0.6854, 0.8231, 0.4496]\n", + " PeriodicSite: Li (12.02, 11.08, 19.6) [0.592, 0.5455, 0.9649]\n", + " PeriodicSite: Li (0.5515, 4.081, 7.553) [0.02715, 0.2009, 0.3718]\n", + " PeriodicSite: Li (20.12, 2.957, 17.71) [0.9907, 0.1456, 0.8721]\n", + " PeriodicSite: Li (2.169, 14.79, 6.245) [0.1068, 0.728, 0.3075]\n", + " PeriodicSite: Li (3.315, 14.8, 18.71) [0.1632, 0.7284, 0.9213]\n", + " PeriodicSite: Li (13.28, 1.905, 5.181) [0.6537, 0.09378, 0.2551]\n", + " PeriodicSite: Li (13.87, 0.7843, 17.03) [0.6827, 0.03861, 0.8384]\n", + " PeriodicSite: Li (10.68, 12.38, 9.526) [0.5258, 0.6094, 0.469]\n", + " PeriodicSite: Li (17.27, 17.48, 0.09114) [0.8502, 0.8604, 0.004493]\n", + " PeriodicSite: Li (6.897, 0.2229, 3.614) [0.3396, 0.01097, 0.1779]\n", + " PeriodicSite: Li (0.4889, 18.81, 2.198) [0.02406, 0.926, 0.1082]\n", + " PeriodicSite: Li (2.477, 14.49, 9.127) [0.1219, 0.7132, 0.4494]\n", + " PeriodicSite: Li (1.15, 17.36, 15.05) [0.05662, 0.8545, 0.7411]\n", + " PeriodicSite: Li (14.82, 3.628, 8.412) [0.7297, 0.1786, 0.4141]\n", + " PeriodicSite: Li (14.68, 3.807, 18.11) [0.7228, 0.1874, 0.8913]\n", + " PeriodicSite: Li (16.84, 15.59, 8.358) [0.8289, 0.7675, 0.4115]\n", + " PeriodicSite: Li (10.26, 12.28, 17.76) [0.505, 0.6043, 0.8743]\n", + " PeriodicSite: Li (5.3, 2.095, 3.713) [0.2609, 0.1031, 0.1828]\n", + " PeriodicSite: Li (3.972, 1.622, 15.42) [0.1955, 0.07985, 0.7593]\n", + " PeriodicSite: Li (4.292, 12.31, 6.071) [0.2113, 0.6062, 0.2989]\n", + " PeriodicSite: Li (18.55, 13.11, 4.788) [0.9134, 0.6456, 0.2357]\n", + " PeriodicSite: Li (10.32, 2.449, 7.325) [0.5081, 0.1206, 0.3606]\n", + " PeriodicSite: Li (17.71, 19.49, 16.05) [0.8721, 0.9596, 0.7904]\n", + " PeriodicSite: Li (13.02, 9.484, 5.918) [0.641, 0.4669, 0.2914]\n", + " PeriodicSite: Li (13.89, 8.482, 16.54) [0.6837, 0.4176, 0.8142]\n", + " PeriodicSite: Li (3.08, 11.94, 15.76) [0.1516, 0.5877, 0.7757]\n", + " PeriodicSite: Li (2.367, 11.17, 9.629) [0.1165, 0.5501, 0.4741]\n", + " PeriodicSite: Li (0.3891, 16.07, 3.485) [0.01915, 0.7912, 0.1716]\n", + " PeriodicSite: Li (2.03, 0.8533, 8.849) [0.09993, 0.04201, 0.4356]\n", + " PeriodicSite: Li (10.68, 6.768, 2.676) [0.5258, 0.3332, 0.1317]\n", + " PeriodicSite: Li (11.64, 7.799, 14.36) [0.5732, 0.3839, 0.7068]\n", + " PeriodicSite: Li (10.59, 13.48, 6.784) [0.5214, 0.6635, 0.334]\n", + " PeriodicSite: Li (13.85, 1.07, 13.86) [0.6821, 0.05267, 0.6823]\n", + " PeriodicSite: Li (2.978, 6.949, 0.3907) [0.1466, 0.3421, 0.01924]\n", + " PeriodicSite: Li (3.063, 4.423, 10.06) [0.1508, 0.2178, 0.4951]\n", + " PeriodicSite: Li (6.025, 17.09, 19.31) [0.2966, 0.8413, 0.9507]\n", + " PeriodicSite: Li (3.911, 18.15, 15.01) [0.1926, 0.8935, 0.7389]\n", + " PeriodicSite: Li (13.67, 5.141, 1.79) [0.6728, 0.2531, 0.08812]\n", + " PeriodicSite: Li (10.65, 6.353, 11.94) [0.5245, 0.3128, 0.5879]\n", + " PeriodicSite: Li (12.23, 16.69, 4.734) [0.6022, 0.8219, 0.2331]\n", + " PeriodicSite: Li (10.93, 16.84, 13.56) [0.538, 0.8292, 0.6676]\n", + " PeriodicSite: Li (4.606, 10.5, 17.67) [0.2268, 0.5169, 0.8701]\n", + " PeriodicSite: Li (4.646, 6.457, 11.99) [0.2287, 0.3179, 0.5904]\n", + " PeriodicSite: Li (4.952, 17.48, 1.994) [0.2438, 0.8608, 0.09816]\n", + " PeriodicSite: Li (2.933, 17.34, 10.61) [0.1444, 0.8537, 0.5221]\n", + " PeriodicSite: Li (11.37, 10.09, 2.583) [0.5596, 0.4967, 0.1272]\n", + " PeriodicSite: Li (14.13, 5.641, 12.37) [0.6958, 0.2777, 0.6092]\n", + " PeriodicSite: Li (10.32, 16.8, 2.589) [0.5079, 0.8272, 0.1275]\n", + " PeriodicSite: Li (14.29, 15.59, 12.34) [0.7037, 0.7677, 0.6076]\n", + " PeriodicSite: Li (20.25, 8.35, 1.538) [0.9968, 0.4111, 0.07572]\n", + " PeriodicSite: Li (17.36, 6.582, 10.17) [0.8544, 0.324, 0.5008]\n", + " PeriodicSite: Li (2.599, 17.94, 4.721) [0.1279, 0.8833, 0.2324]\n", + " PeriodicSite: Li (0.3043, 18.29, 12.1) [0.01497, 0.9003, 0.5956]\n", + " PeriodicSite: Li (10.56, 7.413, 5.783) [0.5197, 0.3649, 0.2847]\n", + " PeriodicSite: Li (13.13, 11.22, 15.3) [0.6465, 0.5525, 0.753]\n", + " PeriodicSite: Li (14.34, 15.46, 2.689) [0.7057, 0.7613, 0.1324]\n", + " PeriodicSite: Li (12.3, 14.61, 16.23) [0.6057, 0.7193, 0.799]\n", + " PeriodicSite: Li (6.443, 8.15, 5.138) [0.3172, 0.4012, 0.253]\n", + " PeriodicSite: Li (19.75, 12.21, 11.29) [0.9725, 0.6012, 0.5557]\n", + " PeriodicSite: Li (19.42, 17.0, 6.462) [0.956, 0.837, 0.3182]\n", + " PeriodicSite: Li (7.583, 19.05, 15.3) [0.3733, 0.938, 0.7534]\n", + " PeriodicSite: Li (17.29, 10.81, 4.145) [0.8514, 0.532, 0.2041]\n", + " PeriodicSite: Li (13.38, 7.319, 10.06) [0.6586, 0.3603, 0.4952]\n", + " PeriodicSite: Li (13.55, 17.42, 0.3887) [0.667, 0.8574, 0.01914]\n", + " PeriodicSite: Li (12.03, 19.02, 10.98) [0.592, 0.9366, 0.5404]\n", + " PeriodicSite: Li (2.549, 3.377, 20.04) [0.1255, 0.1662, 0.9868]\n", + " PeriodicSite: Li (3.772, 9.799, 13.19) [0.1857, 0.4824, 0.6493]\n", + " PeriodicSite: Li (3.752, 19.92, 2.821) [0.1847, 0.9809, 0.1389]\n", + " PeriodicSite: Li (1.962, 15.11, 13.63) [0.09658, 0.7439, 0.6712]\n", + " PeriodicSite: Li (14.85, 9.049, 3.254) [0.7313, 0.4455, 0.1602]\n", + " PeriodicSite: Li (14.59, 8.253, 13.04) [0.7182, 0.4063, 0.6419]\n", + " PeriodicSite: Li (14.57, 17.99, 4.024) [0.7174, 0.8858, 0.1981]\n", + " PeriodicSite: Li (18.72, 5.353, 13.58) [0.9216, 0.2635, 0.6685]\n", + " PeriodicSite: Li (9.691, 2.767, 3.285) [0.4771, 0.1362, 0.1617]\n", + " PeriodicSite: Li (9.64, 1.467, 11.46) [0.4746, 0.0722, 0.564]\n", + " PeriodicSite: Li (6.2, 11.05, 2.903) [0.3052, 0.544, 0.1429]\n", + " PeriodicSite: Li (6.585, 11.97, 14.52) [0.3242, 0.5892, 0.715]\n", + " PeriodicSite: Li (18.28, 2.956, 4.491) [0.9, 0.1455, 0.2211]\n", + " PeriodicSite: Li (12.73, 4.488, 9.596) [0.6267, 0.2209, 0.4724]\n", + " PeriodicSite: Li (20.1, 11.92, 2.455) [0.9894, 0.5867, 0.1209]\n", + " PeriodicSite: Li (17.39, 10.25, 13.37) [0.8563, 0.5047, 0.6584]\n", + " PeriodicSite: Li (5.823, 18.23, 5.42) [0.2866, 0.8977, 0.2668]\n", + " PeriodicSite: Li (9.783, 3.371, 13.43) [0.4816, 0.166, 0.6614]\n", + " PeriodicSite: Li (6.579, 13.73, 19.19) [0.3239, 0.6761, 0.9448]\n", + " PeriodicSite: Li (9.908, 13.15, 13.0) [0.4878, 0.6473, 0.64]\n", + " PeriodicSite: Li (13.36, 20.04, 3.099) [0.6577, 0.9865, 0.1526]\n", + " PeriodicSite: Li (18.38, 1.218, 11.22) [0.9046, 0.05996, 0.5525]\n", + " PeriodicSite: Li (17.67, 14.82, 2.024) [0.8697, 0.7298, 0.09964]\n", + " PeriodicSite: Li (17.11, 14.81, 12.33) [0.8424, 0.7291, 0.6072]\n", + " PeriodicSite: Li (7.929, 5.6, 6.068) [0.3904, 0.2757, 0.2987]\n", + " PeriodicSite: Li (6.591, 0.2943, 12.86) [0.3245, 0.01449, 0.6329]\n", + " PeriodicSite: Li (9.866, 12.49, 2.035) [0.4857, 0.615, 0.1002]\n", + " PeriodicSite: Li (4.509, 13.8, 12.33) [0.222, 0.6794, 0.6069]\n", + " PeriodicSite: Li (19.71, 2.224, 1.742) [0.9703, 0.1095, 0.08575]\n", + " PeriodicSite: Li (0.2215, 8.382, 12.11) [0.0109, 0.4126, 0.5964]\n", + " PeriodicSite: Li (15.57, 12.97, 0.5842) [0.7667, 0.6385, 0.02876]\n", + " PeriodicSite: Li (15.37, 11.98, 13.35) [0.7567, 0.59, 0.6572]\n", + " PeriodicSite: Li (2.877, 1.36, 5.105) [0.1416, 0.06696, 0.2513]\n", + " PeriodicSite: Li (7.133, 2.048, 14.85) [0.3512, 0.1008, 0.7313]\n", + " PeriodicSite: Li (5.105, 13.26, 1.644) [0.2513, 0.6528, 0.08092]\n", + " PeriodicSite: Li (8.569, 6.667, 16.17) [0.4219, 0.3282, 0.7961]\n", + " PeriodicSite: Li (17.23, 4.684, 1.659) [0.8481, 0.2306, 0.08166]\n", + " PeriodicSite: Li (14.78, 19.09, 12.95) [0.7278, 0.94, 0.6378]\n", + " PeriodicSite: Li (13.31, 14.57, 19.28) [0.6554, 0.7173, 0.9489]\n", + " PeriodicSite: Li (16.86, 13.04, 10.7) [0.8298, 0.6419, 0.5267]\n", + " PeriodicSite: Li (5.822, 2.871, 0.692) [0.2866, 0.1413, 0.03407]\n", + " PeriodicSite: Li (5.166, 2.923, 12.08) [0.2543, 0.1439, 0.5948]\n", + " PeriodicSite: Li (7.94, 11.3, 0.5812) [0.3909, 0.5564, 0.02861]\n", + " PeriodicSite: Li (7.673, 11.1, 11.37) [0.3778, 0.5465, 0.5597]\n", + " PeriodicSite: Li (15.23, 2.047, 3.149) [0.7499, 0.1008, 0.155]\n", + " PeriodicSite: Li (16.55, 3.859, 11.04) [0.8146, 0.19, 0.5437]\n", + " PeriodicSite: Li (1.217, 10.62, 18.87) [0.05992, 0.5227, 0.929]\n", + " PeriodicSite: Li (19.19, 12.85, 14.79) [0.9448, 0.6324, 0.7279]\n", + " PeriodicSite: Li (8.595, 1.362, 0.292) [0.4231, 0.06706, 0.01438]\n", + " PeriodicSite: Li (7.161, 2.647, 9.83) [0.3526, 0.1303, 0.484]\n", + " PeriodicSite: Li (7.696, 13.08, 4.744) [0.3789, 0.644, 0.2336]\n", + " PeriodicSite: Li (5.288, 17.12, 12.05) [0.2603, 0.8427, 0.5935]\n", + " PeriodicSite: Li (16.09, 2.724, 0.4562) [0.7922, 0.1341, 0.02246]\n", + " PeriodicSite: Li (2.239, 7.403, 14.97) [0.1102, 0.3645, 0.7372]\n", + " PeriodicSite: Li (4.997, 13.37, 8.899) [0.246, 0.6583, 0.4381]\n", + " PeriodicSite: Li (13.79, 13.33, 9.759) [0.6791, 0.6562, 0.4805]\n", + " PeriodicSite: Li (14.17, 12.26, 6.223) [0.6977, 0.6036, 0.3064]\n", + " PeriodicSite: Li (5.384, 7.938, 16.4) [0.265, 0.3908, 0.8076]\n", + " PeriodicSite: Li (7.278, 15.05, 10.23) [0.3583, 0.7411, 0.5035]\n", + " PeriodicSite: Li (3.052, 17.42, 0.1569) [0.1502, 0.8577, 0.007727]\n", + " PeriodicSite: Li (16.47, 9.737, 7.095) [0.8111, 0.4793, 0.3493]\n", + " PeriodicSite: Li (2.615, 4.958, 17.74) [0.1287, 0.2441, 0.8732]\n", + " PeriodicSite: Li (17.2, 0.1947, 3.964) [0.8467, 0.009578, 0.1952]\n", + " PeriodicSite: Li (19.72, 19.69, 17.94) [0.9709, 0.9696, 0.8832]\n", + " PeriodicSite: Li (6.826, 10.2, 6.936) [0.336, 0.502, 0.3415]\n", + " PeriodicSite: Li (7.025, 5.027, 18.26) [0.3459, 0.2475, 0.8987]\n", + " PeriodicSite: Li (7.897, 19.81, 7.017) [0.3888, 0.9751, 0.3454]\n", + " PeriodicSite: Li (8.089, 15.29, 15.68) [0.3982, 0.7527, 0.772]\n", + " PeriodicSite: Li (18.66, 9.991, 8.718) [0.9184, 0.4919, 0.4292]\n", + " PeriodicSite: Li (16.63, 6.575, 19.96) [0.8188, 0.3237, 0.9827]\n", + " PeriodicSite: Li (17.59, 20.12, 8.067) [0.8658, 0.9905, 0.3972]\n", + " PeriodicSite: Li (18.62, 16.0, 16.51) [0.9166, 0.7877, 0.8126]\n", + " PeriodicSite: Li (6.23, 7.26, 9.486) [0.3067, 0.3574, 0.467]\n", + " PeriodicSite: Li (4.84, 3.051, 18.39) [0.2383, 0.1502, 0.9053]\n", + " PeriodicSite: Li (9.145, 17.97, 9.227) [0.4502, 0.8845, 0.4543]\n", + " PeriodicSite: Li (16.53, 11.26, 16.71) [0.8136, 0.5543, 0.8229]\n", + " PeriodicSite: Li (20.04, 7.405, 7.687) [0.9865, 0.3645, 0.3784]\n", + " PeriodicSite: Li (17.69, 5.607, 17.22) [0.8711, 0.276, 0.8477]\n", + " PeriodicSite: Li (16.84, 17.18, 10.78) [0.8289, 0.8458, 0.5305]\n", + " PeriodicSite: Li (16.36, 15.43, 18.31) [0.8056, 0.7597, 0.9013]\n", + " PeriodicSite: Li (9.121, 8.4, 9.497) [0.449, 0.4136, 0.4676]\n", + " PeriodicSite: Li (5.404, 5.769, 1.937) [0.266, 0.284, 0.09539]\n", + " PeriodicSite: Li (5.575, 17.26, 9.372) [0.2744, 0.8497, 0.4614]\n", + " PeriodicSite: Li (7.308, 15.22, 1.668) [0.3598, 0.7492, 0.08213]\n", + " PeriodicSite: Li (15.27, 6.661, 8.198) [0.7519, 0.3279, 0.4036]\n", + " PeriodicSite: Li (20.17, 7.139, 17.47) [0.9928, 0.3514, 0.8602]\n", + " PeriodicSite: Li (16.36, 18.32, 6.342) [0.8056, 0.9017, 0.3123]\n", + " PeriodicSite: Li (14.96, 18.48, 16.42) [0.7365, 0.9096, 0.8082]\n", + " PeriodicSite: Li (7.146, 4.688, 11.97) [0.3518, 0.2308, 0.5893]\n", + " PeriodicSite: Li (6.033, 7.267, 19.55) [0.297, 0.3578, 0.9624]\n", + " PeriodicSite: Li (9.292, 17.5, 5.8) [0.4574, 0.8615, 0.2856]\n", + " PeriodicSite: Li (11.21, 19.43, 1.563) [0.5519, 0.9564, 0.07693]\n", + " PeriodicSite: Li (16.85, 7.747, 5.483) [0.8294, 0.3814, 0.2699]\n", + " PeriodicSite: Li (13.33, 6.104, 19.29) [0.6563, 0.3005, 0.9498]\n", + " PeriodicSite: Li (19.98, 18.6, 8.931) [0.9838, 0.9155, 0.4397]\n", + " PeriodicSite: Li (17.97, 0.3151, 0.7404) [0.8845, 0.0155, 0.03645]\n", + " PeriodicSite: Li (3.288, 10.89, 3.601) [0.1619, 0.5363, 0.1773]\n", + " PeriodicSite: Li (9.575, 7.548, 18.73) [0.4714, 0.3716, 0.9221]\n", + " PeriodicSite: Li (7.813, 15.35, 7.04) [0.3847, 0.7555, 0.3466]\n", + " PeriodicSite: Li (6.078, 20.09, 17.36) [0.2992, 0.989, 0.8547]\n", + " PeriodicSite: Li (18.12, 5.324, 7.234) [0.892, 0.2621, 0.3561]\n", + " PeriodicSite: Li (18.08, 10.43, 0.6103) [0.89, 0.5133, 0.03005]\n", + " PeriodicSite: Li (2.867, 15.41, 2.022) [0.1411, 0.7586, 0.09954]\n", + " PeriodicSite: Li (17.04, 1.839, 14.81) [0.839, 0.09055, 0.7291]\n", + " PeriodicSite: Cl (7.455, 12.99, 12.63) [0.367, 0.6394, 0.6219]\n", + " PeriodicSite: Cl (2.479, 12.43, 18.13) [0.122, 0.612, 0.8926]\n", + " PeriodicSite: Cl (12.75, 17.61, 12.59) [0.6276, 0.8668, 0.6197]\n", + " PeriodicSite: Cl (17.74, 7.646, 18.01) [0.8736, 0.3764, 0.8868]\n", + " PeriodicSite: Cl (7.457, 1.992, 2.467) [0.3671, 0.09809, 0.1214]\n", + " PeriodicSite: Cl (7.478, 7.711, 7.443) [0.3682, 0.3796, 0.3664]\n", + " PeriodicSite: Cl (12.59, 12.77, 7.706) [0.6197, 0.6285, 0.3794]\n", + " PeriodicSite: Cl (2.261, 7.539, 2.879) [0.1113, 0.3712, 0.1417]\n", + " PeriodicSite: Cl (2.54, 7.827, 12.69) [0.125, 0.3853, 0.6246]\n", + " PeriodicSite: Cl (12.34, 12.7, 17.78) [0.6075, 0.6251, 0.8752]\n", + " PeriodicSite: Cl (17.81, 17.76, 17.66) [0.8766, 0.8743, 0.8695]\n", + " PeriodicSite: Cl (2.804, 2.396, 7.262) [0.1381, 0.118, 0.3575]\n", + " PeriodicSite: Cl (12.42, 2.68, 17.77) [0.6115, 0.1319, 0.8749]\n", + " PeriodicSite: Cl (12.53, 8.149, 3.199) [0.617, 0.4012, 0.1575]\n", + " PeriodicSite: Cl (17.59, 2.89, 12.87) [0.8659, 0.1423, 0.6337]\n", + " PeriodicSite: Cl (7.582, 17.89, 17.59) [0.3733, 0.8809, 0.8658]\n", + " PeriodicSite: Cl (20.15, 0.3345, 20.18) [0.9921, 0.01646, 0.9933]\n", + " PeriodicSite: Cl (20.24, 20.1, 10.66) [0.9963, 0.9896, 0.5246]\n", + " PeriodicSite: Cl (0.3215, 10.22, 0.5676) [0.01582, 0.5031, 0.02794]\n", + " PeriodicSite: Cl (0.4596, 10.05, 10.36) [0.02263, 0.4948, 0.5098]\n", + " PeriodicSite: Cl (10.46, 0.1133, 20.0) [0.5148, 0.005576, 0.9848]\n", + " PeriodicSite: Cl (10.25, 0.1216, 9.621) [0.5046, 0.005985, 0.4737]\n", + " PeriodicSite: Cl (10.16, 10.63, 0.8148) [0.5003, 0.5233, 0.04012]\n", + " PeriodicSite: Cl (10.03, 10.5, 10.67) [0.4938, 0.517, 0.5254]\n", + " PeriodicSite: Cl (19.79, 5.259, 5.555) [0.9743, 0.2589, 0.2735]\n", + " PeriodicSite: Cl (19.99, 5.18, 15.87) [0.9844, 0.255, 0.7813]\n", + " PeriodicSite: Cl (20.24, 14.8, 5.656) [0.9967, 0.7286, 0.2784]\n", + " PeriodicSite: Cl (0.02622, 15.04, 15.29) [0.001288, 0.7402, 0.7525]\n", + " PeriodicSite: Cl (10.24, 5.214, 4.694) [0.5041, 0.2567, 0.2311]\n", + " PeriodicSite: Cl (10.34, 5.319, 14.69) [0.509, 0.2618, 0.7234]\n", + " PeriodicSite: Cl (10.1, 15.41, 4.925) [0.4971, 0.7585, 0.2425]\n", + " PeriodicSite: Cl (10.37, 15.08, 14.88) [0.5106, 0.7424, 0.7325]\n", + " PeriodicSite: S (4.906, 20.25, 4.777) [0.2415, 0.9969, 0.2352]\n", + " PeriodicSite: S (5.484, 0.00506, 14.86) [0.27, 0.0002478, 0.7317]\n", + " PeriodicSite: S (4.743, 9.964, 5.272) [0.2335, 0.4906, 0.2596]\n", + " PeriodicSite: S (5.272, 10.12, 15.42) [0.2596, 0.4981, 0.7592]\n", + " PeriodicSite: S (15.09, 0.3531, 4.732) [0.7427, 0.01738, 0.2329]\n", + " PeriodicSite: S (15.49, 20.29, 15.25) [0.7628, 0.9987, 0.7507]\n", + " PeriodicSite: S (15.38, 10.35, 5.212) [0.7572, 0.5095, 0.2566]\n", + " PeriodicSite: S (15.34, 9.814, 14.96) [0.7551, 0.4832, 0.7364]\n", + " PeriodicSite: S (4.826, 4.938, 19.89) [0.2376, 0.2431, 0.9793]\n", + " PeriodicSite: S (5.285, 4.815, 10.32) [0.2602, 0.2371, 0.508]\n", + " PeriodicSite: S (4.832, 15.43, 0.4692) [0.2379, 0.7597, 0.0231]\n", + " PeriodicSite: S (4.846, 15.23, 10.27) [0.2386, 0.7497, 0.5056]\n", + " PeriodicSite: S (15.27, 4.834, 0.01034) [0.7517, 0.238, 0.0005138]\n", + " PeriodicSite: S (14.83, 5.174, 10.0) [0.73, 0.2547, 0.4924]\n", + " PeriodicSite: S (15.34, 15.4, 0.2403) [0.7554, 0.758, 0.01184]\n", + " PeriodicSite: S (15.47, 15.24, 10.37) [0.7616, 0.7503, 0.5104]\n", + " PeriodicSite: S (8.621, 4.006, 8.361) [0.4244, 0.1972, 0.4116]\n", + " PeriodicSite: S (8.676, 3.813, 19.5) [0.4271, 0.1877, 0.9599]\n", + " PeriodicSite: S (9.327, 14.19, 8.995) [0.4592, 0.6988, 0.4429]\n", + " PeriodicSite: S (8.961, 13.91, 18.7) [0.4412, 0.685, 0.9206]\n", + " PeriodicSite: S (19.11, 3.87, 9.266) [0.9407, 0.1905, 0.4562]\n", + " PeriodicSite: S (18.78, 4.36, 19.11) [0.9245, 0.2147, 0.9409]\n", + " PeriodicSite: S (19.1, 13.94, 9.353) [0.9403, 0.6862, 0.4605]\n", + " PeriodicSite: S (18.81, 14.04, 19.56) [0.9261, 0.6914, 0.9628]\n", + " PeriodicSite: S (3.822, 1.194, 1.037) [0.1882, 0.05878, 0.05103]\n", + " PeriodicSite: S (3.708, 1.11, 11.11) [0.1825, 0.05463, 0.5468]\n", + " PeriodicSite: S (4.075, 11.23, 1.33) [0.2006, 0.5527, 0.06549]\n", + " PeriodicSite: S (4.018, 11.57, 11.45) [0.1978, 0.5695, 0.5636]\n", + " PeriodicSite: S (13.82, 1.226, 1.229) [0.6802, 0.06037, 0.06049]\n", + " PeriodicSite: S (13.59, 0.4046, 11.45) [0.6689, 0.01991, 0.5636]\n", + " PeriodicSite: S (13.77, 11.36, 1.312) [0.678, 0.5594, 0.06457]\n", + " PeriodicSite: S (14.0, 10.97, 11.13) [0.6891, 0.5403, 0.5478]\n", + " PeriodicSite: S (5.939, 1.046, 8.499) [0.2924, 0.05148, 0.4184]\n", + " PeriodicSite: S (6.514, 1.324, 19.26) [0.3207, 0.0652, 0.9484]\n", + " PeriodicSite: S (6.387, 11.47, 9.095) [0.3144, 0.5648, 0.4477]\n", + " PeriodicSite: S (6.155, 11.3, 18.99) [0.303, 0.5561, 0.9349]\n", + " PeriodicSite: S (16.39, 1.635, 9.524) [0.8069, 0.0805, 0.4689]\n", + " PeriodicSite: S (16.06, 1.261, 19.04) [0.7905, 0.06205, 0.9373]\n", + " PeriodicSite: S (16.64, 11.16, 9.108) [0.819, 0.5493, 0.4484]\n", + " PeriodicSite: S (16.26, 11.14, 19.19) [0.8006, 0.5483, 0.945]\n", + " PeriodicSite: S (0.6812, 3.907, 1.174) [0.03353, 0.1923, 0.05778]\n", + " PeriodicSite: S (1.24, 3.553, 11.38) [0.06105, 0.1749, 0.5604]\n", + " PeriodicSite: S (0.799, 14.06, 1.567) [0.03933, 0.6922, 0.07716]\n", + " PeriodicSite: S (1.289, 13.99, 11.44) [0.06348, 0.6888, 0.5632]\n", + " PeriodicSite: S (11.31, 4.285, 1.34) [0.557, 0.2109, 0.066]\n", + " PeriodicSite: S (10.79, 4.057, 10.85) [0.531, 0.1997, 0.5339]\n", + " PeriodicSite: S (11.37, 14.32, 0.8731) [0.5599, 0.7048, 0.04299]\n", + " PeriodicSite: S (11.5, 14.27, 11.43) [0.5661, 0.7028, 0.5629]\n", + " PeriodicSite: S (2.456, 2.66, 17.47) [0.1209, 0.1309, 0.8603]\n", + " PeriodicSite: S (2.758, 12.6, 7.733) [0.1358, 0.6201, 0.3807]\n", + " PeriodicSite: S (12.75, 2.528, 7.256) [0.6276, 0.1244, 0.3572]\n", + " PeriodicSite: S (8.982, 9.043, 4.224) [0.4422, 0.4452, 0.2079]\n", + " PeriodicSite: S (8.939, 8.891, 13.81) [0.4401, 0.4377, 0.6801]\n", + " PeriodicSite: S (9.144, 18.97, 3.486) [0.4502, 0.9338, 0.1716]\n", + " PeriodicSite: S (9.263, 19.36, 13.76) [0.456, 0.9529, 0.6775]\n", + " PeriodicSite: S (19.21, 8.769, 4.215) [0.9456, 0.4317, 0.2075]\n", + " PeriodicSite: S (19.34, 8.769, 14.68) [0.9522, 0.4317, 0.7228]\n", + " PeriodicSite: S (19.25, 18.36, 4.143) [0.9478, 0.9039, 0.204]\n", + " PeriodicSite: S (19.68, 18.88, 14.3) [0.9691, 0.9294, 0.704]\n", + " PeriodicSite: S (4.256, 6.155, 6.217) [0.2095, 0.303, 0.3061]\n", + " PeriodicSite: S (3.73, 6.254, 16.07) [0.1836, 0.3079, 0.7913]\n", + " PeriodicSite: S (3.991, 16.44, 6.148) [0.1965, 0.8094, 0.3026]\n", + " PeriodicSite: S (3.802, 16.54, 16.97) [0.1872, 0.8145, 0.8354]\n", + " PeriodicSite: S (13.86, 6.064, 6.377) [0.6823, 0.2985, 0.314]\n", + " PeriodicSite: S (14.11, 6.063, 16.65) [0.6944, 0.2985, 0.8199]\n", + " PeriodicSite: S (14.46, 16.89, 6.395) [0.7117, 0.8316, 0.3149]\n", + " PeriodicSite: S (14.26, 15.95, 16.86) [0.7018, 0.785, 0.8299]\n", + " PeriodicSite: S (6.781, 6.222, 3.898) [0.3338, 0.3063, 0.1919]\n", + " PeriodicSite: S (6.243, 6.279, 14.05) [0.3073, 0.3091, 0.6919]\n", + " PeriodicSite: S (6.397, 16.36, 3.941) [0.3149, 0.8056, 0.194]\n", + " PeriodicSite: S (6.133, 16.54, 14.32) [0.3019, 0.8143, 0.7051]\n", + " PeriodicSite: S (16.08, 6.366, 3.763) [0.7917, 0.3134, 0.1852]\n", + " PeriodicSite: S (16.43, 6.084, 13.98) [0.8091, 0.2995, 0.688]\n", + " PeriodicSite: S (16.41, 16.11, 3.869) [0.808, 0.7929, 0.1905]\n", + " PeriodicSite: S (16.27, 16.61, 14.15) [0.8011, 0.8177, 0.6968]\n", + " PeriodicSite: S (1.282, 8.688, 6.494) [0.06313, 0.4277, 0.3197]\n", + " PeriodicSite: S (1.583, 9.001, 16.95) [0.07795, 0.4432, 0.8346]\n", + " PeriodicSite: S (1.116, 19.4, 6.717) [0.05492, 0.955, 0.3307]\n", + " PeriodicSite: S (1.591, 19.55, 16.54) [0.07833, 0.9624, 0.8144]\n", + " PeriodicSite: S (10.96, 9.364, 6.946) [0.5395, 0.461, 0.3419]\n", + " PeriodicSite: S (11.46, 9.143, 16.16) [0.5643, 0.4501, 0.7954]\n", + " PeriodicSite: S (11.47, 19.08, 5.905) [0.5645, 0.9393, 0.2907]\n", + " PeriodicSite: S (11.9, 19.52, 16.05) [0.5858, 0.9609, 0.7902]\n", + " PeriodicSite: S (2.657, 17.76, 2.4) [0.1308, 0.8746, 0.1182]\n", + " PeriodicSite: S (2.598, 17.56, 12.97) [0.1279, 0.8644, 0.6387]\n", + " PeriodicSite: S (12.62, 7.431, 12.33) [0.6213, 0.3658, 0.6069]\n", + " PeriodicSite: S (12.79, 17.77, 2.541) [0.6294, 0.875, 0.1251]\n", + " PeriodicSite: S (4.216, 4.251, 3.379) [0.2076, 0.2093, 0.1663]\n", + " PeriodicSite: S (3.9, 3.824, 13.91) [0.192, 0.1883, 0.685]\n", + " PeriodicSite: S (3.694, 13.91, 3.84) [0.1818, 0.6848, 0.1891]\n", + " PeriodicSite: S (3.805, 14.16, 14.79) [0.1873, 0.6973, 0.7282]\n", + " PeriodicSite: S (13.89, 3.799, 4.072) [0.6837, 0.187, 0.2005]\n", + " PeriodicSite: S (14.08, 3.862, 14.09) [0.6934, 0.1901, 0.6935]\n", + " PeriodicSite: S (13.77, 14.04, 4.563) [0.6777, 0.6911, 0.2246]\n", + " PeriodicSite: S (14.14, 13.8, 14.18) [0.6964, 0.6794, 0.6979]\n", + " PeriodicSite: S (9.132, 1.07, 5.473) [0.4496, 0.05266, 0.2694]\n", + " PeriodicSite: S (8.987, 0.9808, 16.35) [0.4425, 0.04828, 0.8051]\n", + " PeriodicSite: S (8.661, 11.69, 6.661) [0.4264, 0.5756, 0.3279]\n", + " PeriodicSite: S (8.971, 11.54, 15.92) [0.4417, 0.5681, 0.7839]\n", + " PeriodicSite: S (18.73, 0.8761, 6.196) [0.9223, 0.04312, 0.305]\n", + " PeriodicSite: S (19.0, 1.123, 16.37) [0.9352, 0.05526, 0.8059]\n", + " PeriodicSite: S (19.11, 11.09, 6.585) [0.9409, 0.5458, 0.3242]\n", + " PeriodicSite: S (19.44, 11.31, 16.98) [0.9572, 0.557, 0.836]\n", + " PeriodicSite: S (0.928, 0.7685, 3.925) [0.04569, 0.03783, 0.1932]\n", + " PeriodicSite: S (1.203, 1.488, 14.06) [0.05925, 0.07325, 0.6922]\n", + " PeriodicSite: S (1.205, 11.45, 4.402) [0.05931, 0.5635, 0.2167]\n", + " PeriodicSite: S (1.256, 11.27, 14.45) [0.06182, 0.5547, 0.7112]\n", + " PeriodicSite: S (11.5, 0.9707, 3.348) [0.5659, 0.04778, 0.1648]\n", + " PeriodicSite: S (11.27, 1.691, 13.69) [0.555, 0.08325, 0.6739]\n", + " PeriodicSite: S (11.01, 11.75, 4.442) [0.5419, 0.5784, 0.2187]\n", + " PeriodicSite: S (11.37, 11.33, 13.77) [0.5595, 0.558, 0.678]\n", + " PeriodicSite: S (6.186, 3.481, 5.927) [0.3045, 0.1714, 0.2918]\n", + " PeriodicSite: S (6.311, 3.818, 16.32) [0.3107, 0.1879, 0.8033]\n", + " PeriodicSite: S (6.014, 13.91, 6.428) [0.2961, 0.6849, 0.3165]\n", + " PeriodicSite: S (6.059, 14.05, 16.83) [0.2983, 0.6916, 0.8285]\n", + " PeriodicSite: S (16.3, 3.926, 6.147) [0.8024, 0.1933, 0.3026]\n", + " PeriodicSite: S (16.33, 3.855, 16.58) [0.8041, 0.1898, 0.816]\n", + " PeriodicSite: S (16.45, 14.06, 6.603) [0.8098, 0.6921, 0.3251]\n", + " PeriodicSite: S (16.92, 14.01, 16.1) [0.8328, 0.6896, 0.7926]\n", + " PeriodicSite: S (7.631, 2.449, 12.41) [0.3757, 0.1205, 0.611]\n", + " PeriodicSite: S (7.435, 12.9, 2.219) [0.366, 0.635, 0.1092]\n", + " PeriodicSite: S (17.55, 2.183, 2.339) [0.864, 0.1075, 0.1152]\n", + " PeriodicSite: S (17.64, 12.61, 2.846) [0.8685, 0.621, 0.1401]\n", + " PeriodicSite: S (17.73, 12.51, 12.65) [0.8729, 0.6158, 0.6228]\n", + " PeriodicSite: S (3.842, 9.022, 9.069) [0.1891, 0.4442, 0.4465]\n", + " PeriodicSite: S (4.075, 8.893, 19.24) [0.2006, 0.4378, 0.9474]\n", + " PeriodicSite: S (3.528, 18.94, 8.998) [0.1737, 0.9326, 0.443]\n", + " PeriodicSite: S (4.116, 19.19, 18.66) [0.2026, 0.9448, 0.9186]\n", + " PeriodicSite: S (14.43, 8.838, 8.626) [0.7104, 0.4351, 0.4247]\n", + " PeriodicSite: S (13.53, 9.305, 19.08) [0.6661, 0.4581, 0.9394]\n", + " PeriodicSite: S (14.61, 19.34, 8.571) [0.7191, 0.9522, 0.4219]\n", + " PeriodicSite: S (13.66, 19.33, 19.02) [0.6725, 0.9516, 0.9363]\n", + " PeriodicSite: S (9.218, 6.856, 0.7691) [0.4538, 0.3375, 0.03787]\n", + " PeriodicSite: S (8.553, 6.458, 10.83) [0.4211, 0.3179, 0.5331]\n", + " PeriodicSite: S (8.962, 16.68, 0.5229) [0.4412, 0.8212, 0.02575]\n", + " PeriodicSite: S (8.975, 16.62, 11.45) [0.4418, 0.8182, 0.5635]\n", + " PeriodicSite: S (18.75, 6.352, 1.362) [0.9232, 0.3127, 0.06704]\n", + " PeriodicSite: S (19.38, 6.476, 11.28) [0.954, 0.3188, 0.5555]\n", + " PeriodicSite: S (19.24, 16.47, 1.33) [0.9474, 0.811, 0.06548]\n", + " PeriodicSite: S (19.14, 16.31, 11.71) [0.9425, 0.8028, 0.5767]\n", + " PeriodicSite: S (1.27, 5.926, 8.916) [0.06251, 0.2917, 0.4389]\n", + " PeriodicSite: S (1.041, 6.404, 19.44) [0.05126, 0.3153, 0.9568]\n", + " PeriodicSite: S (1.053, 16.33, 9.14) [0.05185, 0.8039, 0.45]\n", + " PeriodicSite: S (1.305, 15.98, 19.05) [0.06427, 0.7867, 0.938]\n", + " PeriodicSite: S (11.13, 6.27, 8.685) [0.5481, 0.3087, 0.4276]\n", + " PeriodicSite: S (11.18, 5.822, 18.6) [0.5503, 0.2866, 0.9156]\n", + " PeriodicSite: S (11.51, 16.93, 9.098) [0.5669, 0.8334, 0.4479]\n", + " PeriodicSite: S (11.42, 16.27, 18.4) [0.5624, 0.801, 0.9057]\n", + " PeriodicSite: S (6.671, 9.334, 1.301) [0.3284, 0.4595, 0.06408]\n", + " PeriodicSite: S (6.175, 8.967, 11.47) [0.304, 0.4415, 0.5644]\n", + " PeriodicSite: S (6.223, 19.1, 0.995) [0.3064, 0.9405, 0.04899]\n", + " PeriodicSite: S (6.177, 19.12, 11.11) [0.3041, 0.9411, 0.5469]\n", + " PeriodicSite: S (15.99, 8.879, 1.073) [0.7873, 0.4371, 0.05285]\n", + " PeriodicSite: S (16.43, 8.575, 11.32) [0.8088, 0.4222, 0.5573]\n", + " PeriodicSite: S (16.14, 19.17, 1.196) [0.7946, 0.9436, 0.05887]\n", + " PeriodicSite: S (16.61, 19.33, 11.51) [0.8177, 0.9518, 0.5668]\n", + " PeriodicSite: S (7.236, 7.846, 17.55) [0.3562, 0.3863, 0.8642]\n", + " PeriodicSite: S (7.374, 17.57, 7.589) [0.363, 0.8648, 0.3736]\n", + " PeriodicSite: S (17.46, 7.45, 7.685) [0.8596, 0.3667, 0.3784]\n", + " PeriodicSite: S (18.01, 17.9, 8.239) [0.8865, 0.8814, 0.4056]\n", + " PeriodicSite: P (5.081, 0.06809, 20.17) [0.2502, 0.003351, 0.9931]\n", + " PeriodicSite: P (4.822, 20.22, 9.915) [0.2374, 0.9955, 0.4881]\n", + " PeriodicSite: P (5.152, 10.13, 0.1564) [0.2536, 0.4988, 0.007703]\n", + " PeriodicSite: P (5.073, 10.23, 10.12) [0.2498, 0.5034, 0.4981]\n", + " PeriodicSite: P (14.96, 0.05473, 20.18) [0.7365, 0.002689, 0.9934]\n", + " PeriodicSite: P (15.29, 0.06406, 10.33) [0.7526, 0.003148, 0.5083]\n", + " PeriodicSite: P (14.83, 10.16, 20.27) [0.73, 0.5003, 0.9978]\n", + " PeriodicSite: P (15.37, 9.884, 10.05) [0.7569, 0.4866, 0.4949]\n", + " PeriodicSite: P (5.298, 5.132, 4.88) [0.2608, 0.2526, 0.2403]\n", + " PeriodicSite: P (5.069, 5.06, 15.14) [0.2496, 0.2491, 0.7451]\n", + " PeriodicSite: P (4.975, 15.13, 4.969) [0.2449, 0.7448, 0.2447]\n", + " PeriodicSite: P (5.025, 15.45, 15.7) [0.2474, 0.7605, 0.7727]\n", + " PeriodicSite: P (15.1, 5.149, 5.183) [0.7432, 0.2535, 0.2552]\n", + " PeriodicSite: P (15.28, 5.014, 15.33) [0.7521, 0.2469, 0.7545]\n", + " PeriodicSite: P (15.3, 15.27, 5.46) [0.7531, 0.7517, 0.2688]\n", + " PeriodicSite: P (15.38, 15.12, 15.3) [0.7572, 0.7445, 0.7533]\n", + " PeriodicSite: P (20.05, 20.0, 5.256) [0.9873, 0.9847, 0.2588]\n", + " PeriodicSite: P (0.2823, 0.2359, 15.3) [0.0139, 0.01162, 0.753]\n", + " PeriodicSite: P (0.1155, 10.01, 5.328) [0.005684, 0.4927, 0.2623]\n", + " PeriodicSite: P (0.2644, 10.09, 15.72) [0.01301, 0.4967, 0.7741]\n", + " PeriodicSite: P (10.41, 20.15, 4.676) [0.5123, 0.9921, 0.2302]\n", + " PeriodicSite: P (10.36, 0.1861, 15.05) [0.5102, 0.009157, 0.7407]\n", + " PeriodicSite: P (9.945, 10.32, 5.56) [0.4896, 0.5081, 0.2737]\n", + " PeriodicSite: P (10.08, 10.22, 14.89) [0.4961, 0.5032, 0.733]\n", + " PeriodicSite: P (20.03, 5.26, 0.1696) [0.9859, 0.2589, 0.008357]\n", + " PeriodicSite: P (0.1863, 4.952, 10.3) [0.009175, 0.2438, 0.5068]\n", + " PeriodicSite: P (20.26, 15.09, 0.09389) [0.9973, 0.7429, 0.004629]\n", + " PeriodicSite: P (20.3, 15.21, 10.41) [0.9993, 0.7489, 0.5126]\n", + " PeriodicSite: P (10.04, 5.177, 20.21) [0.4942, 0.2549, 0.9948]\n", + " PeriodicSite: P (9.663, 5.276, 9.571) [0.4757, 0.2597, 0.4712]\n", + " PeriodicSite: P (10.17, 15.28, 19.85) [0.5005, 0.7521, 0.9773]\n", + " PeriodicSite: P (10.32, 15.6, 10.27) [0.508, 0.7679, 0.5056],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.9112, 6.684, 4.681) [0.04486, 0.3291, 0.2305]\n", + " PeriodicSite: Li (2.105, 4.473, 15.65) [0.1036, 0.2202, 0.7707]\n", + " PeriodicSite: Li (0.2577, 12.78, 7.1) [0.01268, 0.629, 0.3495]\n", + " PeriodicSite: Li (0.648, 13.81, 17.45) [0.0319, 0.6799, 0.8593]\n", + " PeriodicSite: Li (14.75, 0.7358, 7.426) [0.7261, 0.03622, 0.3656]\n", + " PeriodicSite: Li (12.03, 3.964, 15.84) [0.592, 0.1952, 0.78]\n", + " PeriodicSite: Li (15.32, 11.79, 3.225) [0.7542, 0.5805, 0.1588]\n", + " PeriodicSite: Li (17.28, 8.068, 15.61) [0.8508, 0.3972, 0.7684]\n", + " PeriodicSite: Li (5.577, 4.949, 7.944) [0.2746, 0.2437, 0.3911]\n", + " PeriodicSite: Li (2.142, 0.6926, 18.54) [0.1055, 0.0341, 0.9128]\n", + " PeriodicSite: Li (3.411, 8.373, 5.717) [0.1679, 0.4122, 0.2815]\n", + " PeriodicSite: Li (7.138, 9.728, 17.43) [0.3514, 0.4789, 0.8583]\n", + " PeriodicSite: Li (12.33, 4.645, 6.216) [0.607, 0.2287, 0.306]\n", + " PeriodicSite: Li (12.31, 2.32, 20.2) [0.6062, 0.1142, 0.9946]\n", + " PeriodicSite: Li (11.9, 9.72, 11.62) [0.5859, 0.4785, 0.5721]\n", + " PeriodicSite: Li (10.89, 19.32, 18.14) [0.5359, 0.9513, 0.8931]\n", + " PeriodicSite: Li (4.398, 1.304, 7.284) [0.2165, 0.0642, 0.3586]\n", + " PeriodicSite: Li (3.324, 20.08, 13.28) [0.1636, 0.9886, 0.6537]\n", + " PeriodicSite: Li (2.822, 10.67, 7.302) [0.1389, 0.5252, 0.3595]\n", + " PeriodicSite: Li (6.601, 9.213, 13.82) [0.325, 0.4535, 0.6804]\n", + " PeriodicSite: Li (12.12, 0.3553, 8.272) [0.5967, 0.01749, 0.4072]\n", + " PeriodicSite: Li (10.01, 2.192, 18.22) [0.4929, 0.1079, 0.897]\n", + " PeriodicSite: Li (13.78, 16.65, 9.145) [0.6786, 0.8195, 0.4502]\n", + " PeriodicSite: Li (12.34, 10.82, 20.05) [0.6076, 0.5328, 0.987]\n", + " PeriodicSite: Li (0.5989, 4.013, 7.522) [0.02949, 0.1976, 0.3703]\n", + " PeriodicSite: Li (0.1866, 3.039, 17.56) [0.00919, 0.1496, 0.8643]\n", + " PeriodicSite: Li (2.237, 13.97, 5.933) [0.1101, 0.6875, 0.2921]\n", + " PeriodicSite: Li (4.352, 13.9, 18.65) [0.2142, 0.6845, 0.9183]\n", + " PeriodicSite: Li (13.03, 1.192, 5.545) [0.6416, 0.05866, 0.273]\n", + " PeriodicSite: Li (14.25, 0.7979, 17.44) [0.7015, 0.03928, 0.8584]\n", + " PeriodicSite: Li (10.64, 12.61, 9.023) [0.5238, 0.6209, 0.4442]\n", + " PeriodicSite: Li (17.1, 17.18, 0.3036) [0.8417, 0.8457, 0.01495]\n", + " PeriodicSite: Li (6.871, 20.2, 4.039) [0.3383, 0.9942, 0.1988]\n", + " PeriodicSite: Li (0.184, 18.77, 2.206) [0.00905, 0.9242, 0.1086]\n", + " PeriodicSite: Li (3.123, 14.14, 9.739) [0.1538, 0.6963, 0.4795]\n", + " PeriodicSite: Li (1.586, 17.4, 15.75) [0.0781, 0.8565, 0.7755]\n", + " PeriodicSite: Li (15.18, 3.656, 8.321) [0.7474, 0.18, 0.4097]\n", + " PeriodicSite: Li (14.54, 4.388, 18.25) [0.7159, 0.216, 0.8984]\n", + " PeriodicSite: Li (16.93, 15.77, 8.537) [0.8333, 0.7764, 0.4203]\n", + " PeriodicSite: Li (10.59, 12.42, 17.6) [0.5211, 0.6117, 0.8665]\n", + " PeriodicSite: Li (5.22, 2.319, 4.2) [0.257, 0.1142, 0.2068]\n", + " PeriodicSite: Li (3.247, 1.087, 15.75) [0.1598, 0.05352, 0.7756]\n", + " PeriodicSite: Li (3.853, 11.99, 5.247) [0.1897, 0.5905, 0.2583]\n", + " PeriodicSite: Li (18.03, 13.83, 4.266) [0.8877, 0.681, 0.21]\n", + " PeriodicSite: Li (10.38, 2.781, 7.128) [0.5111, 0.1369, 0.3509]\n", + " PeriodicSite: Li (17.24, 19.02, 15.25) [0.849, 0.9363, 0.7505]\n", + " PeriodicSite: Li (13.63, 9.111, 6.476) [0.6712, 0.4485, 0.3188]\n", + " PeriodicSite: Li (14.85, 8.515, 16.9) [0.731, 0.4192, 0.8319]\n", + " PeriodicSite: Li (3.258, 11.99, 15.24) [0.1604, 0.5904, 0.7505]\n", + " PeriodicSite: Li (1.617, 11.63, 9.952) [0.07963, 0.5728, 0.4899]\n", + " PeriodicSite: Li (0.6983, 15.39, 3.265) [0.03437, 0.7578, 0.1607]\n", + " PeriodicSite: Li (2.275, 1.05, 9.38) [0.112, 0.05169, 0.4618]\n", + " PeriodicSite: Li (10.74, 6.423, 2.617) [0.5287, 0.3162, 0.1288]\n", + " PeriodicSite: Li (12.01, 7.521, 14.8) [0.591, 0.3703, 0.7286]\n", + " PeriodicSite: Li (11.06, 13.2, 6.166) [0.5447, 0.6501, 0.3036]\n", + " PeriodicSite: Li (13.78, 1.083, 14.28) [0.6782, 0.05332, 0.703]\n", + " PeriodicSite: Li (3.149, 6.698, 0.5049) [0.155, 0.3297, 0.02486]\n", + " PeriodicSite: Li (2.877, 4.732, 9.826) [0.1416, 0.233, 0.4838]\n", + " PeriodicSite: Li (5.788, 17.39, 19.09) [0.285, 0.8562, 0.9401]\n", + " PeriodicSite: Li (4.636, 18.2, 14.85) [0.2282, 0.896, 0.7313]\n", + " PeriodicSite: Li (13.6, 5.41, 2.092) [0.6697, 0.2664, 0.103]\n", + " PeriodicSite: Li (10.76, 6.227, 12.54) [0.5297, 0.3066, 0.6175]\n", + " PeriodicSite: Li (12.34, 15.97, 4.402) [0.6077, 0.7864, 0.2167]\n", + " PeriodicSite: Li (10.76, 16.46, 13.57) [0.5299, 0.8103, 0.6683]\n", + " PeriodicSite: Li (4.035, 10.8, 17.77) [0.1986, 0.5318, 0.8747]\n", + " PeriodicSite: Li (4.475, 6.826, 11.68) [0.2203, 0.336, 0.5749]\n", + " PeriodicSite: Li (4.734, 17.62, 1.951) [0.2331, 0.8672, 0.09606]\n", + " PeriodicSite: Li (3.289, 17.19, 10.58) [0.1619, 0.8463, 0.521]\n", + " PeriodicSite: Li (10.22, 9.402, 2.504) [0.5033, 0.4629, 0.1233]\n", + " PeriodicSite: Li (14.31, 5.707, 12.45) [0.7046, 0.281, 0.6131]\n", + " PeriodicSite: Li (10.37, 16.61, 2.771) [0.5104, 0.8178, 0.1364]\n", + " PeriodicSite: Li (13.52, 15.01, 11.87) [0.6656, 0.7391, 0.5842]\n", + " PeriodicSite: Li (0.4311, 7.942, 1.713) [0.02122, 0.391, 0.08435]\n", + " PeriodicSite: Li (17.04, 6.103, 10.62) [0.8388, 0.3005, 0.5231]\n", + " PeriodicSite: Li (2.93, 18.46, 4.468) [0.1442, 0.9086, 0.22]\n", + " PeriodicSite: Li (0.7318, 17.97, 12.58) [0.03602, 0.8847, 0.6191]\n", + " PeriodicSite: Li (9.555, 7.677, 5.953) [0.4704, 0.3779, 0.2931]\n", + " PeriodicSite: Li (13.23, 10.37, 14.7) [0.6514, 0.5103, 0.7239]\n", + " PeriodicSite: Li (14.28, 15.44, 2.156) [0.7028, 0.76, 0.1062]\n", + " PeriodicSite: Li (12.56, 14.66, 16.1) [0.6186, 0.7219, 0.7927]\n", + " PeriodicSite: Li (6.295, 8.109, 5.192) [0.3099, 0.3992, 0.2556]\n", + " PeriodicSite: Li (19.21, 12.28, 11.22) [0.9459, 0.6046, 0.5523]\n", + " PeriodicSite: Li (19.63, 16.21, 7.338) [0.9663, 0.798, 0.3613]\n", + " PeriodicSite: Li (7.449, 18.58, 14.94) [0.3667, 0.9147, 0.7358]\n", + " PeriodicSite: Li (17.32, 10.64, 4.372) [0.8526, 0.5239, 0.2153]\n", + " PeriodicSite: Li (13.12, 7.072, 10.33) [0.6459, 0.3482, 0.5083]\n", + " PeriodicSite: Li (13.26, 17.23, 0.5101) [0.6527, 0.8484, 0.02512]\n", + " PeriodicSite: Li (11.59, 18.7, 11.51) [0.5705, 0.9205, 0.5667]\n", + " PeriodicSite: Li (2.811, 3.188, 20.04) [0.1384, 0.1569, 0.9865]\n", + " PeriodicSite: Li (3.89, 9.945, 13.01) [0.1915, 0.4896, 0.6406]\n", + " PeriodicSite: Li (3.178, 20.0, 2.588) [0.1565, 0.9847, 0.1274]\n", + " PeriodicSite: Li (1.655, 15.21, 13.51) [0.08145, 0.749, 0.665]\n", + " PeriodicSite: Li (14.57, 8.635, 3.407) [0.7175, 0.4251, 0.1677]\n", + " PeriodicSite: Li (14.78, 8.428, 13.41) [0.7276, 0.4149, 0.6604]\n", + " PeriodicSite: Li (14.75, 17.98, 4.734) [0.7261, 0.8852, 0.2331]\n", + " PeriodicSite: Li (18.67, 4.583, 13.3) [0.9191, 0.2256, 0.6546]\n", + " PeriodicSite: Li (9.846, 3.291, 3.582) [0.4847, 0.162, 0.1763]\n", + " PeriodicSite: Li (9.754, 1.381, 11.7) [0.4802, 0.06796, 0.5761]\n", + " PeriodicSite: Li (5.847, 11.01, 3.168) [0.2878, 0.5418, 0.156]\n", + " PeriodicSite: Li (6.767, 12.04, 15.33) [0.3332, 0.5926, 0.7548]\n", + " PeriodicSite: Li (18.52, 3.298, 4.451) [0.9117, 0.1624, 0.2191]\n", + " PeriodicSite: Li (12.36, 4.007, 9.343) [0.6085, 0.1973, 0.46]\n", + " PeriodicSite: Li (19.98, 11.84, 2.593) [0.9835, 0.5829, 0.1276]\n", + " PeriodicSite: Li (17.74, 10.08, 13.31) [0.8731, 0.4964, 0.6553]\n", + " PeriodicSite: Li (5.544, 18.35, 5.784) [0.2729, 0.9035, 0.2848]\n", + " PeriodicSite: Li (9.298, 3.261, 14.01) [0.4578, 0.1605, 0.6896]\n", + " PeriodicSite: Li (7.028, 14.68, 19.52) [0.346, 0.7226, 0.9609]\n", + " PeriodicSite: Li (10.21, 13.61, 12.85) [0.5029, 0.6701, 0.6328]\n", + " PeriodicSite: Li (13.75, 19.6, 2.753) [0.6767, 0.965, 0.1355]\n", + " PeriodicSite: Li (18.52, 0.851, 11.46) [0.9119, 0.04189, 0.5643]\n", + " PeriodicSite: Li (17.58, 14.18, 1.165) [0.8655, 0.6979, 0.05735]\n", + " PeriodicSite: Li (17.08, 14.68, 12.63) [0.8407, 0.7226, 0.6218]\n", + " PeriodicSite: Li (7.932, 5.44, 5.785) [0.3905, 0.2678, 0.2848]\n", + " PeriodicSite: Li (6.181, 0.6155, 12.64) [0.3043, 0.0303, 0.6222]\n", + " PeriodicSite: Li (9.834, 12.92, 2.35) [0.4841, 0.6361, 0.1157]\n", + " PeriodicSite: Li (5.43, 13.31, 12.05) [0.2673, 0.6554, 0.5934]\n", + " PeriodicSite: Li (19.81, 2.32, 1.814) [0.9754, 0.1142, 0.08931]\n", + " PeriodicSite: Li (0.929, 8.769, 11.52) [0.04574, 0.4317, 0.567]\n", + " PeriodicSite: Li (15.31, 13.06, 0.4151) [0.7537, 0.6432, 0.02044]\n", + " PeriodicSite: Li (15.39, 12.09, 13.25) [0.7578, 0.5954, 0.6522]\n", + " PeriodicSite: Li (2.296, 0.9192, 5.578) [0.113, 0.04525, 0.2746]\n", + " PeriodicSite: Li (7.203, 1.951, 14.71) [0.3546, 0.09604, 0.7241]\n", + " PeriodicSite: Li (5.231, 13.24, 1.66) [0.2575, 0.6516, 0.08172]\n", + " PeriodicSite: Li (8.025, 6.471, 15.26) [0.3951, 0.3186, 0.7512]\n", + " PeriodicSite: Li (17.32, 4.992, 2.073) [0.8525, 0.2458, 0.1021]\n", + " PeriodicSite: Li (14.71, 18.99, 13.33) [0.7241, 0.9347, 0.6563]\n", + " PeriodicSite: Li (13.19, 14.38, 19.06) [0.6493, 0.7081, 0.9382]\n", + " PeriodicSite: Li (16.88, 13.22, 10.13) [0.8311, 0.6507, 0.499]\n", + " PeriodicSite: Li (5.549, 2.881, 0.8985) [0.2732, 0.1418, 0.04423]\n", + " PeriodicSite: Li (5.112, 3.205, 11.98) [0.2517, 0.1578, 0.5899]\n", + " PeriodicSite: Li (7.874, 11.49, 0.7875) [0.3877, 0.5657, 0.03877]\n", + " PeriodicSite: Li (8.022, 10.6, 11.24) [0.3949, 0.522, 0.5536]\n", + " PeriodicSite: Li (15.39, 2.036, 3.439) [0.7578, 0.1002, 0.1693]\n", + " PeriodicSite: Li (16.15, 3.44, 11.36) [0.7953, 0.1694, 0.5593]\n", + " PeriodicSite: Li (0.761, 10.51, 18.79) [0.03747, 0.5175, 0.9249]\n", + " PeriodicSite: Li (19.53, 12.71, 14.44) [0.9615, 0.626, 0.7111]\n", + " PeriodicSite: Li (8.141, 0.8209, 0.6033) [0.4008, 0.04041, 0.0297]\n", + " PeriodicSite: Li (7.376, 3.085, 9.931) [0.3631, 0.1519, 0.4889]\n", + " PeriodicSite: Li (8.092, 12.79, 4.452) [0.3984, 0.6297, 0.2192]\n", + " PeriodicSite: Li (4.964, 16.37, 12.63) [0.2444, 0.8061, 0.6218]\n", + " PeriodicSite: Li (16.03, 3.122, 0.5751) [0.7892, 0.1537, 0.02832]\n", + " PeriodicSite: Li (1.316, 7.163, 14.94) [0.0648, 0.3527, 0.7355]\n", + " PeriodicSite: Li (5.312, 13.75, 8.322) [0.2615, 0.6771, 0.4097]\n", + " PeriodicSite: Li (13.93, 13.44, 9.457) [0.686, 0.6619, 0.4656]\n", + " PeriodicSite: Li (14.35, 12.24, 6.434) [0.7064, 0.6027, 0.3167]\n", + " PeriodicSite: Li (5.269, 7.847, 16.92) [0.2594, 0.3863, 0.8332]\n", + " PeriodicSite: Li (7.627, 14.32, 10.94) [0.3755, 0.705, 0.5385]\n", + " PeriodicSite: Li (2.879, 17.49, 0.02593) [0.1418, 0.8608, 0.001279]\n", + " PeriodicSite: Li (16.28, 9.989, 7.127) [0.8015, 0.4917, 0.3509]\n", + " PeriodicSite: Li (3.105, 5.043, 18.31) [0.1529, 0.2483, 0.9013]\n", + " PeriodicSite: Li (17.29, 20.25, 3.959) [0.8513, 0.9969, 0.1949]\n", + " PeriodicSite: Li (19.2, 19.78, 17.96) [0.9452, 0.9738, 0.8842]\n", + " PeriodicSite: Li (6.003, 9.664, 7.475) [0.2955, 0.4758, 0.368]\n", + " PeriodicSite: Li (7.463, 5.108, 18.28) [0.3674, 0.2515, 0.8997]\n", + " PeriodicSite: Li (7.441, 0.03951, 7.334) [0.3663, 0.001942, 0.361]\n", + " PeriodicSite: Li (8.452, 15.3, 16.53) [0.4161, 0.7531, 0.8136]\n", + " PeriodicSite: Li (18.43, 8.593, 10.25) [0.9073, 0.423, 0.5048]\n", + " PeriodicSite: Li (16.89, 6.865, 20.19) [0.8316, 0.338, 0.9939]\n", + " PeriodicSite: Li (18.45, 0.3777, 8.183) [0.9083, 0.01859, 0.4029]\n", + " PeriodicSite: Li (18.49, 16.26, 15.42) [0.9105, 0.8004, 0.759]\n", + " PeriodicSite: Li (6.6, 7.574, 9.599) [0.3249, 0.3729, 0.4725]\n", + " PeriodicSite: Li (5.029, 3.277, 18.07) [0.2476, 0.1613, 0.8894]\n", + " PeriodicSite: Li (9.0, 18.14, 9.128) [0.4431, 0.8932, 0.4494]\n", + " PeriodicSite: Li (16.81, 11.43, 16.31) [0.8275, 0.5628, 0.8031]\n", + " PeriodicSite: Li (19.85, 7.074, 7.587) [0.9775, 0.3483, 0.3735]\n", + " PeriodicSite: Li (17.98, 5.023, 17.56) [0.885, 0.2473, 0.8644]\n", + " PeriodicSite: Li (17.55, 17.77, 10.35) [0.8639, 0.8748, 0.5098]\n", + " PeriodicSite: Li (16.09, 15.11, 18.28) [0.7922, 0.7439, 0.8998]\n", + " PeriodicSite: Li (9.866, 8.688, 8.417) [0.4857, 0.4277, 0.4144]\n", + " PeriodicSite: Li (5.66, 5.172, 1.906) [0.2786, 0.2546, 0.09383]\n", + " PeriodicSite: Li (5.505, 17.04, 8.697) [0.271, 0.8387, 0.4282]\n", + " PeriodicSite: Li (7.121, 15.15, 1.771) [0.3506, 0.7456, 0.08718]\n", + " PeriodicSite: Li (15.49, 7.317, 8.018) [0.7627, 0.3602, 0.3948]\n", + " PeriodicSite: Li (20.14, 7.571, 17.46) [0.9913, 0.3727, 0.8598]\n", + " PeriodicSite: Li (15.9, 18.7, 7.147) [0.7829, 0.9206, 0.3519]\n", + " PeriodicSite: Li (14.58, 18.3, 16.76) [0.718, 0.9007, 0.825]\n", + " PeriodicSite: Li (7.358, 5.004, 11.75) [0.3622, 0.2464, 0.5787]\n", + " PeriodicSite: Li (6.702, 7.487, 19.78) [0.3299, 0.3686, 0.974]\n", + " PeriodicSite: Li (9.528, 17.57, 5.419) [0.469, 0.865, 0.2668]\n", + " PeriodicSite: Li (11.05, 19.44, 2.084) [0.5439, 0.9572, 0.1026]\n", + " PeriodicSite: Li (17.6, 7.875, 5.504) [0.8663, 0.3877, 0.271]\n", + " PeriodicSite: Li (13.26, 6.692, 20.01) [0.6529, 0.3295, 0.9852]\n", + " PeriodicSite: Li (20.06, 18.6, 8.546) [0.9876, 0.9155, 0.4207]\n", + " PeriodicSite: Li (17.94, 0.8885, 1.019) [0.8831, 0.04374, 0.05016]\n", + " PeriodicSite: Li (3.076, 9.859, 3.231) [0.1514, 0.4854, 0.1591]\n", + " PeriodicSite: Li (9.754, 7.504, 18.95) [0.4802, 0.3694, 0.9328]\n", + " PeriodicSite: Li (7.741, 15.82, 6.632) [0.3811, 0.7787, 0.3265]\n", + " PeriodicSite: Li (5.858, 19.71, 17.37) [0.2884, 0.9703, 0.8549]\n", + " PeriodicSite: Li (17.55, 5.511, 7.645) [0.864, 0.2713, 0.3764]\n", + " PeriodicSite: Li (18.13, 10.26, 0.4711) [0.8926, 0.505, 0.0232]\n", + " PeriodicSite: Li (2.923, 15.37, 1.438) [0.1439, 0.7564, 0.07082]\n", + " PeriodicSite: Li (16.86, 1.693, 14.67) [0.83, 0.08336, 0.7224]\n", + " PeriodicSite: Cl (7.718, 12.51, 12.65) [0.38, 0.6161, 0.6227]\n", + " PeriodicSite: Cl (2.474, 12.16, 17.74) [0.1218, 0.5984, 0.8733]\n", + " PeriodicSite: Cl (12.83, 17.19, 12.91) [0.6314, 0.846, 0.6355]\n", + " PeriodicSite: Cl (17.85, 7.398, 17.74) [0.8786, 0.3642, 0.8731]\n", + " PeriodicSite: Cl (7.415, 2.431, 2.585) [0.3651, 0.1197, 0.1273]\n", + " PeriodicSite: Cl (7.713, 7.97, 7.475) [0.3797, 0.3924, 0.368]\n", + " PeriodicSite: Cl (12.6, 12.99, 7.792) [0.6204, 0.6394, 0.3836]\n", + " PeriodicSite: Cl (2.434, 7.556, 3.01) [0.1198, 0.372, 0.1482]\n", + " PeriodicSite: Cl (2.828, 8.006, 12.76) [0.1392, 0.3942, 0.6282]\n", + " PeriodicSite: Cl (12.89, 12.36, 17.86) [0.6344, 0.6087, 0.8795]\n", + " PeriodicSite: Cl (17.99, 17.75, 17.69) [0.8858, 0.8739, 0.8708]\n", + " PeriodicSite: Cl (2.406, 2.558, 7.088) [0.1185, 0.1259, 0.349]\n", + " PeriodicSite: Cl (12.89, 2.694, 18.02) [0.6346, 0.1326, 0.8871]\n", + " PeriodicSite: Cl (12.07, 8.12, 2.775) [0.594, 0.3997, 0.1366]\n", + " PeriodicSite: Cl (18.07, 2.596, 12.7) [0.8894, 0.1278, 0.6255]\n", + " PeriodicSite: Cl (7.623, 18.26, 17.6) [0.3753, 0.8988, 0.8663]\n", + " PeriodicSite: Cl (19.88, 0.004814, 0.1708) [0.9787, 0.0002279, 0.008414]\n", + " PeriodicSite: Cl (20.25, 0.31, 9.833) [0.9967, 0.01525, 0.4841]\n", + " PeriodicSite: Cl (20.3, 10.11, 0.6616) [0.9993, 0.4976, 0.03258]\n", + " PeriodicSite: Cl (20.17, 10.44, 10.15) [0.9931, 0.5138, 0.4999]\n", + " PeriodicSite: Cl (10.41, 0.7667, 20.0) [0.5124, 0.03774, 0.9845]\n", + " PeriodicSite: Cl (10.43, 20.22, 9.94) [0.5134, 0.9956, 0.4894]\n", + " PeriodicSite: Cl (10.07, 10.93, 0.6832) [0.4956, 0.5381, 0.03364]\n", + " PeriodicSite: Cl (10.01, 10.29, 9.77) [0.493, 0.5064, 0.481]\n", + " PeriodicSite: Cl (19.97, 4.854, 5.715) [0.983, 0.239, 0.2813]\n", + " PeriodicSite: Cl (20.2, 5.496, 15.45) [0.9947, 0.2706, 0.7608]\n", + " PeriodicSite: Cl (20.21, 14.75, 5.429) [0.9947, 0.7263, 0.2673]\n", + " PeriodicSite: Cl (0.1918, 15.0, 15.35) [0.00944, 0.7383, 0.7559]\n", + " PeriodicSite: Cl (10.17, 5.207, 5.201) [0.5006, 0.2563, 0.256]\n", + " PeriodicSite: Cl (10.09, 5.437, 14.83) [0.4967, 0.2677, 0.7299]\n", + " PeriodicSite: Cl (10.08, 15.49, 4.996) [0.4961, 0.7626, 0.246]\n", + " PeriodicSite: Cl (10.4, 14.9, 15.0) [0.5118, 0.7337, 0.7385]\n", + " PeriodicSite: S (4.51, 0.03896, 4.98) [0.222, 0.001916, 0.2452]\n", + " PeriodicSite: S (5.441, 0.0629, 15.0) [0.2679, 0.003095, 0.7384]\n", + " PeriodicSite: S (4.9, 9.994, 5.037) [0.2412, 0.492, 0.248]\n", + " PeriodicSite: S (4.959, 10.27, 15.39) [0.2442, 0.5058, 0.7579]\n", + " PeriodicSite: S (15.08, 20.09, 5.004) [0.7426, 0.9891, 0.2464]\n", + " PeriodicSite: S (15.33, 20.19, 15.23) [0.7546, 0.9939, 0.7499]\n", + " PeriodicSite: S (15.31, 9.981, 5.039) [0.7539, 0.4914, 0.2481]\n", + " PeriodicSite: S (15.62, 9.873, 15.03) [0.7688, 0.4861, 0.7402]\n", + " PeriodicSite: S (5.004, 5.28, 19.85) [0.2464, 0.2599, 0.9772]\n", + " PeriodicSite: S (5.183, 5.088, 10.12) [0.2552, 0.2505, 0.4984]\n", + " PeriodicSite: S (5.159, 15.59, 0.1061) [0.254, 0.7675, 0.005224]\n", + " PeriodicSite: S (5.142, 15.34, 10.26) [0.2531, 0.7554, 0.5051]\n", + " PeriodicSite: S (15.1, 5.504, 0.07619) [0.7436, 0.271, 0.003756]\n", + " PeriodicSite: S (15.01, 5.32, 9.962) [0.7388, 0.2619, 0.4904]\n", + " PeriodicSite: S (15.39, 15.27, 0.1237) [0.7576, 0.7518, 0.006096]\n", + " PeriodicSite: S (15.41, 15.25, 10.41) [0.7586, 0.7508, 0.5126]\n", + " PeriodicSite: S (8.624, 4.325, 8.348) [0.4246, 0.2129, 0.411]\n", + " PeriodicSite: S (8.757, 3.597, 19.71) [0.4311, 0.1771, 0.9705]\n", + " PeriodicSite: S (9.269, 14.46, 8.522) [0.4563, 0.7119, 0.4196]\n", + " PeriodicSite: S (9.128, 14.09, 18.49) [0.4494, 0.6939, 0.9102]\n", + " PeriodicSite: S (18.7, 4.031, 9.034) [0.9204, 0.1984, 0.4448]\n", + " PeriodicSite: S (19.23, 3.615, 19.35) [0.9466, 0.178, 0.9528]\n", + " PeriodicSite: S (19.0, 13.95, 8.973) [0.9356, 0.6867, 0.4418]\n", + " PeriodicSite: S (18.98, 14.11, 19.48) [0.9346, 0.6947, 0.9591]\n", + " PeriodicSite: S (3.789, 1.276, 1.097) [0.1865, 0.06281, 0.05399]\n", + " PeriodicSite: S (3.837, 1.028, 11.15) [0.1889, 0.05062, 0.5487]\n", + " PeriodicSite: S (3.947, 11.34, 1.358) [0.1943, 0.5585, 0.06685]\n", + " PeriodicSite: S (3.736, 11.72, 11.43) [0.1839, 0.577, 0.5626]\n", + " PeriodicSite: S (13.94, 1.174, 1.26) [0.6862, 0.05777, 0.06201]\n", + " PeriodicSite: S (13.52, 0.7797, 11.59) [0.6656, 0.03838, 0.5708]\n", + " PeriodicSite: S (14.06, 11.32, 1.154) [0.692, 0.5575, 0.05683]\n", + " PeriodicSite: S (13.89, 11.22, 11.35) [0.6837, 0.5526, 0.5587]\n", + " PeriodicSite: S (5.985, 1.268, 8.997) [0.2946, 0.06245, 0.4429]\n", + " PeriodicSite: S (6.345, 1.25, 19.21) [0.3124, 0.06155, 0.9459]\n", + " PeriodicSite: S (6.517, 11.57, 9.341) [0.3208, 0.5695, 0.4599]\n", + " PeriodicSite: S (6.138, 11.66, 19.2) [0.3022, 0.5742, 0.9453]\n", + " PeriodicSite: S (16.13, 1.584, 9.299) [0.7941, 0.07799, 0.4578]\n", + " PeriodicSite: S (16.05, 1.281, 19.11) [0.7901, 0.06307, 0.9409]\n", + " PeriodicSite: S (16.68, 11.16, 9.058) [0.8211, 0.5496, 0.4459]\n", + " PeriodicSite: S (16.38, 11.13, 19.2) [0.8064, 0.548, 0.9455]\n", + " PeriodicSite: S (1.299, 4.202, 1.201) [0.06393, 0.2069, 0.05914]\n", + " PeriodicSite: S (1.057, 3.739, 11.1) [0.05205, 0.1841, 0.5462]\n", + " PeriodicSite: S (1.064, 13.73, 1.655) [0.05239, 0.6759, 0.08147]\n", + " PeriodicSite: S (1.025, 13.75, 11.37) [0.05045, 0.6767, 0.5599]\n", + " PeriodicSite: S (11.31, 4.422, 1.518) [0.5568, 0.2177, 0.07475]\n", + " PeriodicSite: S (10.72, 4.005, 10.98) [0.5279, 0.1972, 0.5404]\n", + " PeriodicSite: S (11.38, 13.99, 0.7263) [0.5604, 0.6885, 0.03576]\n", + " PeriodicSite: S (11.54, 14.05, 10.88) [0.568, 0.6919, 0.5359]\n", + " PeriodicSite: S (2.605, 2.923, 17.89) [0.1282, 0.1439, 0.8806]\n", + " PeriodicSite: S (2.601, 12.74, 7.895) [0.128, 0.627, 0.3887]\n", + " PeriodicSite: S (12.64, 2.664, 7.468) [0.6224, 0.1312, 0.3677]\n", + " PeriodicSite: S (8.71, 9.318, 4.435) [0.4288, 0.4588, 0.2183]\n", + " PeriodicSite: S (9.209, 8.765, 13.8) [0.4534, 0.4315, 0.6794]\n", + " PeriodicSite: S (9.085, 18.96, 3.607) [0.4473, 0.9337, 0.1776]\n", + " PeriodicSite: S (9.66, 19.4, 13.85) [0.4756, 0.9549, 0.6821]\n", + " PeriodicSite: S (19.26, 8.696, 3.999) [0.9483, 0.4281, 0.1969]\n", + " PeriodicSite: S (19.53, 8.621, 14.29) [0.9617, 0.4244, 0.7035]\n", + " PeriodicSite: S (18.92, 18.6, 4.351) [0.9316, 0.9155, 0.2142]\n", + " PeriodicSite: S (19.5, 19.11, 14.13) [0.9601, 0.9407, 0.6958]\n", + " PeriodicSite: S (4.176, 6.148, 6.076) [0.2056, 0.3027, 0.2991]\n", + " PeriodicSite: S (3.677, 6.205, 16.13) [0.181, 0.3055, 0.794]\n", + " PeriodicSite: S (3.698, 16.26, 6.125) [0.182, 0.8006, 0.3015]\n", + " PeriodicSite: S (3.922, 16.46, 16.65) [0.1931, 0.8104, 0.8195]\n", + " PeriodicSite: S (13.88, 6.329, 6.189) [0.6834, 0.3116, 0.3047]\n", + " PeriodicSite: S (13.73, 5.762, 16.31) [0.676, 0.2837, 0.803]\n", + " PeriodicSite: S (13.99, 16.59, 6.487) [0.6886, 0.8166, 0.3193]\n", + " PeriodicSite: S (14.3, 15.92, 16.97) [0.704, 0.7839, 0.8354]\n", + " PeriodicSite: S (6.591, 6.064, 3.751) [0.3245, 0.2985, 0.1847]\n", + " PeriodicSite: S (5.92, 6.276, 13.53) [0.2915, 0.309, 0.6659]\n", + " PeriodicSite: S (6.214, 16.53, 3.979) [0.3059, 0.814, 0.1959]\n", + " PeriodicSite: S (6.442, 16.05, 14.46) [0.3171, 0.79, 0.712]\n", + " PeriodicSite: S (16.21, 6.308, 3.789) [0.7981, 0.3105, 0.1865]\n", + " PeriodicSite: S (16.26, 6.283, 14.19) [0.8003, 0.3093, 0.6986]\n", + " PeriodicSite: S (16.55, 16.33, 4.266) [0.8148, 0.8039, 0.21]\n", + " PeriodicSite: S (16.42, 16.43, 14.3) [0.8082, 0.809, 0.7042]\n", + " PeriodicSite: S (1.164, 8.605, 6.441) [0.05731, 0.4236, 0.3171]\n", + " PeriodicSite: S (1.594, 9.178, 16.65) [0.07849, 0.4519, 0.8196]\n", + " PeriodicSite: S (1.069, 19.5, 6.345) [0.05264, 0.9601, 0.3124]\n", + " PeriodicSite: S (1.543, 19.69, 16.79) [0.07597, 0.9694, 0.8267]\n", + " PeriodicSite: S (11.25, 9.44, 6.498) [0.5541, 0.4648, 0.3199]\n", + " PeriodicSite: S (11.42, 9.188, 16.33) [0.562, 0.4523, 0.8038]\n", + " PeriodicSite: S (11.24, 19.26, 6.144) [0.5534, 0.9484, 0.3025]\n", + " PeriodicSite: S (12.12, 19.69, 16.24) [0.5965, 0.9691, 0.7993]\n", + " PeriodicSite: S (2.425, 17.73, 2.309) [0.1194, 0.8729, 0.1137]\n", + " PeriodicSite: S (2.855, 17.65, 13.04) [0.1406, 0.8689, 0.642]\n", + " PeriodicSite: S (12.73, 7.55, 12.63) [0.6268, 0.3717, 0.6218]\n", + " PeriodicSite: S (12.57, 17.47, 2.569) [0.6187, 0.8602, 0.1265]\n", + " PeriodicSite: S (3.934, 3.959, 3.514) [0.1937, 0.1949, 0.173]\n", + " PeriodicSite: S (3.983, 3.535, 14.02) [0.1961, 0.174, 0.6901]\n", + " PeriodicSite: S (3.715, 14.05, 3.751) [0.1829, 0.6917, 0.1846]\n", + " PeriodicSite: S (3.915, 14.01, 14.03) [0.1927, 0.6899, 0.6909]\n", + " PeriodicSite: S (13.76, 3.909, 4.008) [0.6773, 0.1925, 0.1973]\n", + " PeriodicSite: S (14.08, 3.636, 13.8) [0.6931, 0.179, 0.6795]\n", + " PeriodicSite: S (13.98, 13.98, 4.111) [0.6883, 0.688, 0.2024]\n", + " PeriodicSite: S (14.18, 13.88, 14.19) [0.6981, 0.6835, 0.6988]\n", + " PeriodicSite: S (8.655, 1.166, 5.942) [0.4261, 0.05739, 0.2925]\n", + " PeriodicSite: S (9.065, 1.174, 16.42) [0.4463, 0.05778, 0.8085]\n", + " PeriodicSite: S (8.407, 11.57, 6.605) [0.4139, 0.5698, 0.3252]\n", + " PeriodicSite: S (8.895, 11.26, 16.19) [0.4379, 0.5543, 0.797]\n", + " PeriodicSite: S (18.7, 1.227, 6.051) [0.9205, 0.06039, 0.2979]\n", + " PeriodicSite: S (19.14, 1.368, 16.31) [0.9425, 0.06736, 0.8032]\n", + " PeriodicSite: S (18.9, 11.02, 6.416) [0.9303, 0.5425, 0.3159]\n", + " PeriodicSite: S (19.29, 11.13, 16.71) [0.9496, 0.5481, 0.8229]\n", + " PeriodicSite: S (0.788, 0.9139, 3.541) [0.03879, 0.04499, 0.1743]\n", + " PeriodicSite: S (1.333, 1.304, 14.04) [0.06563, 0.06421, 0.6911]\n", + " PeriodicSite: S (1.412, 10.99, 4.252) [0.0695, 0.5413, 0.2093]\n", + " PeriodicSite: S (0.9304, 11.27, 14.04) [0.0458, 0.5547, 0.6911]\n", + " PeriodicSite: S (10.97, 1.231, 3.693) [0.5401, 0.06058, 0.1818]\n", + " PeriodicSite: S (11.31, 2.0, 14.11) [0.5567, 0.09844, 0.6946]\n", + " PeriodicSite: S (10.88, 11.82, 4.141) [0.5356, 0.582, 0.2039]\n", + " PeriodicSite: S (11.18, 11.41, 13.56) [0.5504, 0.5617, 0.6674]\n", + " PeriodicSite: S (6.286, 3.62, 5.937) [0.3095, 0.1782, 0.2923]\n", + " PeriodicSite: S (6.616, 4.189, 16.1) [0.3257, 0.2062, 0.7925]\n", + " PeriodicSite: S (6.202, 13.86, 6.113) [0.3053, 0.6822, 0.301]\n", + " PeriodicSite: S (5.971, 13.9, 16.73) [0.294, 0.6844, 0.8237]\n", + " PeriodicSite: S (16.13, 3.996, 6.266) [0.7943, 0.1967, 0.3085]\n", + " PeriodicSite: S (16.3, 3.632, 16.24) [0.8026, 0.1788, 0.7994]\n", + " PeriodicSite: S (16.01, 14.09, 6.626) [0.7884, 0.6935, 0.3262]\n", + " PeriodicSite: S (16.86, 13.98, 16.41) [0.8302, 0.6882, 0.8078]\n", + " PeriodicSite: S (7.544, 2.573, 12.39) [0.3714, 0.1267, 0.6099]\n", + " PeriodicSite: S (7.413, 12.93, 2.422) [0.365, 0.6365, 0.1192]\n", + " PeriodicSite: S (17.57, 2.807, 2.429) [0.8651, 0.1382, 0.1196]\n", + " PeriodicSite: S (17.51, 12.28, 2.598) [0.8619, 0.6044, 0.1279]\n", + " PeriodicSite: S (17.59, 12.38, 12.81) [0.8662, 0.6097, 0.6304]\n", + " PeriodicSite: S (4.085, 9.248, 9.004) [0.2011, 0.4553, 0.4433]\n", + " PeriodicSite: S (4.235, 9.055, 19.55) [0.2085, 0.4458, 0.9623]\n", + " PeriodicSite: S (3.829, 18.98, 8.769) [0.1885, 0.9344, 0.4317]\n", + " PeriodicSite: S (4.054, 19.28, 19.18) [0.1996, 0.949, 0.9444]\n", + " PeriodicSite: S (13.89, 8.969, 8.982) [0.6838, 0.4415, 0.4422]\n", + " PeriodicSite: S (13.74, 9.072, 19.1) [0.6762, 0.4466, 0.9403]\n", + " PeriodicSite: S (14.22, 19.29, 8.908) [0.7001, 0.9497, 0.4386]\n", + " PeriodicSite: S (13.89, 18.93, 19.22) [0.6836, 0.9319, 0.9461]\n", + " PeriodicSite: S (9.056, 6.503, 0.8267) [0.4459, 0.3202, 0.0407]\n", + " PeriodicSite: S (8.816, 6.76, 10.72) [0.434, 0.3328, 0.5277]\n", + " PeriodicSite: S (8.995, 16.27, 0.8248) [0.4428, 0.8012, 0.04061]\n", + " PeriodicSite: S (9.097, 16.03, 11.57) [0.4479, 0.789, 0.5696]\n", + " PeriodicSite: S (19.07, 6.193, 1.205) [0.9388, 0.3049, 0.05932]\n", + " PeriodicSite: S (19.3, 6.461, 11.4) [0.9501, 0.3181, 0.5611]\n", + " PeriodicSite: S (19.32, 16.39, 1.485) [0.9513, 0.807, 0.07313]\n", + " PeriodicSite: S (19.12, 16.21, 11.67) [0.9415, 0.798, 0.5745]\n", + " PeriodicSite: S (1.11, 5.98, 8.711) [0.05465, 0.2944, 0.4288]\n", + " PeriodicSite: S (0.9809, 6.594, 19.14) [0.0483, 0.3246, 0.9425]\n", + " PeriodicSite: S (1.076, 16.29, 9.24) [0.05295, 0.8021, 0.4549]\n", + " PeriodicSite: S (1.579, 15.6, 19.44) [0.07775, 0.7678, 0.957]\n", + " PeriodicSite: S (11.15, 6.378, 8.505) [0.5491, 0.314, 0.4187]\n", + " PeriodicSite: S (11.21, 5.842, 18.65) [0.5521, 0.2876, 0.9181]\n", + " PeriodicSite: S (11.41, 16.94, 9.344) [0.5616, 0.834, 0.46]\n", + " PeriodicSite: S (11.51, 16.42, 18.83) [0.5666, 0.8083, 0.9269]\n", + " PeriodicSite: S (6.807, 9.341, 1.144) [0.3351, 0.4599, 0.05634]\n", + " PeriodicSite: S (6.081, 9.136, 11.47) [0.2994, 0.4498, 0.5647]\n", + " PeriodicSite: S (6.234, 19.22, 1.508) [0.3069, 0.9463, 0.07427]\n", + " PeriodicSite: S (6.277, 18.87, 11.11) [0.309, 0.9289, 0.547]\n", + " PeriodicSite: S (15.93, 8.765, 1.448) [0.7843, 0.4315, 0.07131]\n", + " PeriodicSite: S (16.18, 8.725, 11.25) [0.7967, 0.4295, 0.5539]\n", + " PeriodicSite: S (16.28, 19.22, 1.463) [0.8016, 0.946, 0.07205]\n", + " PeriodicSite: S (16.37, 19.34, 11.69) [0.8057, 0.952, 0.5756]\n", + " PeriodicSite: S (7.58, 7.36, 17.34) [0.3732, 0.3623, 0.8534]\n", + " PeriodicSite: S (7.654, 18.01, 7.069) [0.3768, 0.8867, 0.348]\n", + " PeriodicSite: S (17.81, 7.632, 7.842) [0.8769, 0.3757, 0.3861]\n", + " PeriodicSite: S (18.09, 17.93, 8.013) [0.8904, 0.8825, 0.3945]\n", + " PeriodicSite: P (5.193, 0.06777, 0.1337) [0.2557, 0.003334, 0.006582]\n", + " PeriodicSite: P (5.116, 20.07, 10.04) [0.2519, 0.9879, 0.4944]\n", + " PeriodicSite: P (5.308, 10.4, 0.1307) [0.2613, 0.5119, 0.006436]\n", + " PeriodicSite: P (4.923, 10.49, 10.29) [0.2424, 0.5165, 0.5068]\n", + " PeriodicSite: P (15.11, 20.25, 0.08002) [0.7438, 0.9968, 0.003945]\n", + " PeriodicSite: P (15.05, 0.09429, 10.44) [0.7408, 0.004636, 0.5137]\n", + " PeriodicSite: P (15.13, 10.04, 0.04017) [0.7447, 0.4945, 0.001982]\n", + " PeriodicSite: P (15.16, 10.1, 10.18) [0.7463, 0.497, 0.5014]\n", + " PeriodicSite: P (5.227, 4.863, 4.777) [0.2573, 0.2394, 0.2352]\n", + " PeriodicSite: P (5.049, 4.934, 14.9) [0.2486, 0.2429, 0.7337]\n", + " PeriodicSite: P (4.974, 15.13, 4.977) [0.2449, 0.7448, 0.245]\n", + " PeriodicSite: P (4.977, 15.11, 15.5) [0.245, 0.7436, 0.7629]\n", + " PeriodicSite: P (15.01, 5.21, 4.92) [0.7388, 0.2565, 0.2422]\n", + " PeriodicSite: P (15.14, 4.868, 15.08) [0.7452, 0.2396, 0.7425]\n", + " PeriodicSite: P (15.13, 15.23, 5.295) [0.7449, 0.7495, 0.2607]\n", + " PeriodicSite: P (15.41, 14.97, 15.39) [0.7584, 0.737, 0.7575]\n", + " PeriodicSite: P (20.02, 20.18, 5.064) [0.9856, 0.9935, 0.2493]\n", + " PeriodicSite: P (0.2227, 0.1873, 15.23) [0.01097, 0.009223, 0.7498]\n", + " PeriodicSite: P (0.004785, 9.927, 5.349) [0.0002325, 0.4887, 0.2633]\n", + " PeriodicSite: P (0.2181, 10.02, 15.44) [0.01074, 0.4932, 0.7601]\n", + " PeriodicSite: P (9.968, 20.25, 4.887) [0.4907, 0.9969, 0.2406]\n", + " PeriodicSite: P (10.64, 0.3803, 15.16) [0.5238, 0.01872, 0.7461]\n", + " PeriodicSite: P (9.795, 10.69, 5.443) [0.4822, 0.5263, 0.268]\n", + " PeriodicSite: P (10.16, 10.08, 14.96) [0.5004, 0.4964, 0.7364]\n", + " PeriodicSite: P (20.3, 5.169, 20.25) [0.9995, 0.2545, 0.9969]\n", + " PeriodicSite: P (20.22, 4.953, 10.16) [0.9957, 0.2439, 0.5001]\n", + " PeriodicSite: P (20.29, 15.0, 0.3619) [0.999, 0.7384, 0.01782]\n", + " PeriodicSite: P (20.18, 15.02, 10.36) [0.9933, 0.7394, 0.5103]\n", + " PeriodicSite: P (10.15, 5.059, 20.31) [0.4998, 0.2491, 0.9999]\n", + " PeriodicSite: P (9.834, 5.303, 9.672) [0.4841, 0.2611, 0.4762]\n", + " PeriodicSite: P (10.25, 15.21, 19.88) [0.5044, 0.7486, 0.9787]\n", + " PeriodicSite: P (10.33, 15.44, 10.02) [0.5085, 0.7604, 0.4932],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.6923, 6.781, 4.344) [0.03408, 0.3338, 0.2139]\n", + " PeriodicSite: Li (2.58, 4.19, 15.73) [0.127, 0.2063, 0.7742]\n", + " PeriodicSite: Li (0.2081, 12.83, 7.057) [0.01024, 0.6316, 0.3474]\n", + " PeriodicSite: Li (0.8616, 14.52, 17.54) [0.04241, 0.7147, 0.8633]\n", + " PeriodicSite: Li (14.33, 0.4638, 7.832) [0.7055, 0.02283, 0.3856]\n", + " PeriodicSite: Li (12.24, 3.955, 15.5) [0.6027, 0.1947, 0.7629]\n", + " PeriodicSite: Li (15.09, 12.04, 3.067) [0.7429, 0.5925, 0.151]\n", + " PeriodicSite: Li (17.18, 7.986, 15.15) [0.8459, 0.3931, 0.7459]\n", + " PeriodicSite: Li (5.038, 4.791, 8.025) [0.248, 0.2358, 0.3951]\n", + " PeriodicSite: Li (2.35, 0.6931, 19.04) [0.1157, 0.03412, 0.9376]\n", + " PeriodicSite: Li (3.522, 8.021, 5.031) [0.1734, 0.3949, 0.2477]\n", + " PeriodicSite: Li (6.969, 9.988, 17.34) [0.3431, 0.4917, 0.8535]\n", + " PeriodicSite: Li (12.42, 4.534, 6.621) [0.6114, 0.2232, 0.3259]\n", + " PeriodicSite: Li (12.22, 2.373, 0.149) [0.6016, 0.1168, 0.007339]\n", + " PeriodicSite: Li (11.94, 9.899, 12.07) [0.5877, 0.4873, 0.5942]\n", + " PeriodicSite: Li (10.52, 18.74, 18.93) [0.5181, 0.9225, 0.9318]\n", + " PeriodicSite: Li (4.644, 0.8844, 7.079) [0.2286, 0.04354, 0.3485]\n", + " PeriodicSite: Li (3.377, 19.6, 13.37) [0.1663, 0.9652, 0.6584]\n", + " PeriodicSite: Li (2.81, 10.41, 7.295) [0.1383, 0.5123, 0.3592]\n", + " PeriodicSite: Li (6.878, 9.809, 13.77) [0.3386, 0.4829, 0.678]\n", + " PeriodicSite: Li (12.28, 1.028, 9.49) [0.6045, 0.05062, 0.4672]\n", + " PeriodicSite: Li (10.2, 1.937, 17.99) [0.5022, 0.09534, 0.8855]\n", + " PeriodicSite: Li (13.55, 16.39, 9.292) [0.6671, 0.8069, 0.4575]\n", + " PeriodicSite: Li (12.3, 11.34, 19.95) [0.6054, 0.5583, 0.9821]\n", + " PeriodicSite: Li (20.29, 3.06, 6.826) [0.9989, 0.1506, 0.336]\n", + " PeriodicSite: Li (0.4902, 2.928, 17.65) [0.02413, 0.1442, 0.8689]\n", + " PeriodicSite: Li (1.904, 15.0, 6.503) [0.09375, 0.7384, 0.3202]\n", + " PeriodicSite: Li (4.294, 14.27, 18.68) [0.2114, 0.7027, 0.9198]\n", + " PeriodicSite: Li (12.66, 1.047, 5.929) [0.6233, 0.05153, 0.2919]\n", + " PeriodicSite: Li (15.14, 1.35, 17.25) [0.7456, 0.06648, 0.849]\n", + " PeriodicSite: Li (10.67, 12.26, 8.606) [0.5252, 0.6037, 0.4237]\n", + " PeriodicSite: Li (16.9, 17.32, 0.1451) [0.8322, 0.8528, 0.007151]\n", + " PeriodicSite: Li (6.627, 20.17, 3.819) [0.3263, 0.9928, 0.188]\n", + " PeriodicSite: Li (20.13, 18.7, 2.035) [0.9911, 0.9207, 0.1002]\n", + " PeriodicSite: Li (2.946, 14.55, 9.511) [0.145, 0.7165, 0.4683]\n", + " PeriodicSite: Li (1.743, 17.32, 15.37) [0.08582, 0.8528, 0.7567]\n", + " PeriodicSite: Li (14.96, 3.551, 8.11) [0.7363, 0.1748, 0.3993]\n", + " PeriodicSite: Li (14.4, 4.566, 18.11) [0.709, 0.2248, 0.8917]\n", + " PeriodicSite: Li (16.74, 15.35, 8.513) [0.8243, 0.7557, 0.4191]\n", + " PeriodicSite: Li (10.37, 12.49, 17.08) [0.5107, 0.6148, 0.841]\n", + " PeriodicSite: Li (5.122, 2.146, 3.549) [0.2522, 0.1057, 0.1747]\n", + " PeriodicSite: Li (3.168, 0.9576, 15.85) [0.156, 0.04714, 0.7803]\n", + " PeriodicSite: Li (3.661, 12.08, 5.145) [0.1802, 0.5949, 0.2533]\n", + " PeriodicSite: Li (17.83, 14.01, 4.661) [0.8777, 0.6895, 0.2295]\n", + " PeriodicSite: Li (10.15, 2.348, 7.629) [0.4997, 0.1156, 0.3756]\n", + " PeriodicSite: Li (17.49, 18.92, 15.45) [0.8611, 0.9316, 0.7605]\n", + " PeriodicSite: Li (13.71, 8.871, 6.041) [0.6748, 0.4367, 0.2974]\n", + " PeriodicSite: Li (15.44, 8.556, 17.46) [0.7603, 0.4212, 0.8597]\n", + " PeriodicSite: Li (3.09, 12.43, 15.24) [0.1521, 0.6121, 0.7501]\n", + " PeriodicSite: Li (1.937, 11.79, 9.972) [0.09534, 0.5803, 0.4909]\n", + " PeriodicSite: Li (0.1896, 15.69, 3.109) [0.009329, 0.7726, 0.1531]\n", + " PeriodicSite: Li (1.422, 1.649, 9.866) [0.06999, 0.08118, 0.4857]\n", + " PeriodicSite: Li (10.38, 5.897, 2.668) [0.5108, 0.2903, 0.1313]\n", + " PeriodicSite: Li (12.02, 7.479, 14.78) [0.5918, 0.3682, 0.7276]\n", + " PeriodicSite: Li (10.91, 13.34, 6.084) [0.5373, 0.6569, 0.2995]\n", + " PeriodicSite: Li (14.19, 1.328, 14.04) [0.6984, 0.0654, 0.691]\n", + " PeriodicSite: Li (3.03, 6.221, 0.6182) [0.1492, 0.3062, 0.03044]\n", + " PeriodicSite: Li (2.848, 5.04, 9.942) [0.1402, 0.2481, 0.4895]\n", + " PeriodicSite: Li (5.627, 17.02, 19.11) [0.277, 0.8378, 0.9408]\n", + " PeriodicSite: Li (5.085, 17.78, 15.4) [0.2503, 0.8752, 0.7583]\n", + " PeriodicSite: Li (13.49, 5.156, 1.924) [0.6642, 0.2538, 0.09473]\n", + " PeriodicSite: Li (10.25, 6.454, 12.66) [0.5048, 0.3178, 0.6234]\n", + " PeriodicSite: Li (12.28, 16.11, 4.531) [0.6047, 0.7933, 0.2231]\n", + " PeriodicSite: Li (10.5, 16.92, 13.58) [0.5169, 0.8329, 0.6685]\n", + " PeriodicSite: Li (4.241, 11.09, 17.25) [0.2088, 0.546, 0.8491]\n", + " PeriodicSite: Li (4.537, 7.222, 11.67) [0.2234, 0.3556, 0.5747]\n", + " PeriodicSite: Li (4.545, 17.74, 1.94) [0.2237, 0.8733, 0.09549]\n", + " PeriodicSite: Li (3.612, 17.69, 10.68) [0.1778, 0.8711, 0.5258]\n", + " PeriodicSite: Li (11.01, 9.455, 1.975) [0.542, 0.4655, 0.09725]\n", + " PeriodicSite: Li (14.31, 5.707, 12.12) [0.7043, 0.281, 0.5969]\n", + " PeriodicSite: Li (10.81, 16.56, 2.17) [0.532, 0.8154, 0.1068]\n", + " PeriodicSite: Li (14.08, 15.42, 12.27) [0.6932, 0.7593, 0.604]\n", + " PeriodicSite: Li (0.4394, 8.758, 2.099) [0.02163, 0.4312, 0.1033]\n", + " PeriodicSite: Li (16.92, 5.953, 9.813) [0.8329, 0.2931, 0.4831]\n", + " PeriodicSite: Li (2.83, 17.92, 4.781) [0.1393, 0.8821, 0.2354]\n", + " PeriodicSite: Li (0.5141, 18.06, 12.62) [0.02531, 0.8889, 0.6212]\n", + " PeriodicSite: Li (9.814, 7.414, 5.287) [0.4831, 0.365, 0.2603]\n", + " PeriodicSite: Li (13.37, 10.69, 15.37) [0.6583, 0.5261, 0.7568]\n", + " PeriodicSite: Li (14.82, 15.85, 2.426) [0.7298, 0.7801, 0.1194]\n", + " PeriodicSite: Li (12.46, 14.49, 16.14) [0.6134, 0.7132, 0.7948]\n", + " PeriodicSite: Li (6.732, 8.534, 5.351) [0.3314, 0.4202, 0.2634]\n", + " PeriodicSite: Li (19.62, 12.03, 11.84) [0.9661, 0.592, 0.5829]\n", + " PeriodicSite: Li (19.24, 15.96, 7.26) [0.9471, 0.7856, 0.3574]\n", + " PeriodicSite: Li (7.599, 19.74, 15.58) [0.3741, 0.9718, 0.7669]\n", + " PeriodicSite: Li (17.73, 10.5, 3.987) [0.873, 0.5168, 0.1963]\n", + " PeriodicSite: Li (12.46, 7.271, 10.46) [0.6137, 0.358, 0.5151]\n", + " PeriodicSite: Li (13.6, 17.22, 0.7519) [0.6696, 0.8475, 0.03702]\n", + " PeriodicSite: Li (12.23, 19.06, 11.27) [0.6019, 0.9384, 0.5548]\n", + " PeriodicSite: Li (3.052, 3.227, 20.01) [0.1503, 0.1589, 0.9851]\n", + " PeriodicSite: Li (3.557, 9.782, 13.49) [0.1751, 0.4816, 0.6641]\n", + " PeriodicSite: Li (2.918, 19.85, 3.02) [0.1436, 0.9775, 0.1487]\n", + " PeriodicSite: Li (2.165, 15.2, 13.02) [0.1066, 0.7481, 0.6408]\n", + " PeriodicSite: Li (14.83, 8.415, 3.183) [0.73, 0.4143, 0.1567]\n", + " PeriodicSite: Li (14.73, 8.317, 13.82) [0.7251, 0.4095, 0.6805]\n", + " PeriodicSite: Li (14.23, 17.96, 4.905) [0.7008, 0.884, 0.2415]\n", + " PeriodicSite: Li (19.32, 4.6, 13.11) [0.9509, 0.2265, 0.6456]\n", + " PeriodicSite: Li (9.167, 2.945, 4.089) [0.4513, 0.145, 0.2013]\n", + " PeriodicSite: Li (8.8, 0.8883, 12.27) [0.4332, 0.04373, 0.604]\n", + " PeriodicSite: Li (6.389, 10.56, 3.352) [0.3146, 0.5198, 0.165]\n", + " PeriodicSite: Li (6.763, 12.47, 14.74) [0.333, 0.614, 0.7258]\n", + " PeriodicSite: Li (18.12, 3.741, 4.402) [0.8918, 0.1842, 0.2167]\n", + " PeriodicSite: Li (12.61, 3.999, 9.366) [0.621, 0.1969, 0.4611]\n", + " PeriodicSite: Li (20.11, 11.98, 2.182) [0.99, 0.5897, 0.1074]\n", + " PeriodicSite: Li (17.64, 10.38, 13.01) [0.8686, 0.511, 0.6403]\n", + " PeriodicSite: Li (5.666, 18.37, 6.18) [0.2789, 0.9042, 0.3042]\n", + " PeriodicSite: Li (8.962, 3.17, 14.17) [0.4412, 0.1561, 0.6975]\n", + " PeriodicSite: Li (7.235, 14.22, 20.08) [0.3562, 0.7001, 0.9885]\n", + " PeriodicSite: Li (9.865, 13.66, 13.07) [0.4857, 0.6726, 0.6434]\n", + " PeriodicSite: Li (14.57, 19.68, 3.121) [0.7173, 0.9688, 0.1537]\n", + " PeriodicSite: Li (18.38, 0.6119, 11.97) [0.9049, 0.03012, 0.5892]\n", + " PeriodicSite: Li (17.34, 14.78, 1.606) [0.8538, 0.7277, 0.07907]\n", + " PeriodicSite: Li (17.32, 15.01, 12.29) [0.8528, 0.7391, 0.6051]\n", + " PeriodicSite: Li (7.876, 5.504, 6.609) [0.3877, 0.271, 0.3254]\n", + " PeriodicSite: Li (6.21, 0.3165, 12.77) [0.3057, 0.01558, 0.6286]\n", + " PeriodicSite: Li (9.938, 13.03, 1.961) [0.4893, 0.6416, 0.09656]\n", + " PeriodicSite: Li (5.269, 13.06, 11.56) [0.2594, 0.6431, 0.5689]\n", + " PeriodicSite: Li (19.73, 2.88, 2.444) [0.9714, 0.1418, 0.1203]\n", + " PeriodicSite: Li (0.1636, 8.479, 12.09) [0.008053, 0.4174, 0.5952]\n", + " PeriodicSite: Li (15.9, 12.94, 0.4738) [0.7829, 0.6368, 0.02333]\n", + " PeriodicSite: Li (15.74, 11.99, 13.58) [0.7751, 0.5901, 0.6684]\n", + " PeriodicSite: Li (2.618, 1.567, 5.396) [0.1289, 0.07713, 0.2656]\n", + " PeriodicSite: Li (5.968, 2.4, 14.52) [0.2938, 0.1182, 0.7146]\n", + " PeriodicSite: Li (5.209, 13.19, 1.569) [0.2565, 0.6494, 0.07725]\n", + " PeriodicSite: Li (8.253, 6.862, 15.8) [0.4063, 0.3378, 0.7779]\n", + " PeriodicSite: Li (17.04, 4.846, 1.852) [0.8389, 0.2386, 0.09117]\n", + " PeriodicSite: Li (15.36, 18.31, 13.55) [0.756, 0.9016, 0.6669]\n", + " PeriodicSite: Li (13.4, 14.65, 19.07) [0.6599, 0.7212, 0.9387]\n", + " PeriodicSite: Li (16.14, 12.94, 10.79) [0.7945, 0.6368, 0.5314]\n", + " PeriodicSite: Li (6.989, 3.662, 0.1261) [0.3441, 0.1803, 0.006209]\n", + " PeriodicSite: Li (4.674, 3.145, 11.72) [0.2301, 0.1548, 0.5771]\n", + " PeriodicSite: Li (7.838, 11.17, 0.5426) [0.3859, 0.5498, 0.02671]\n", + " PeriodicSite: Li (8.017, 10.71, 11.14) [0.3947, 0.5275, 0.5483]\n", + " PeriodicSite: Li (15.26, 2.529, 4.101) [0.7512, 0.1245, 0.2019]\n", + " PeriodicSite: Li (15.6, 2.992, 11.55) [0.768, 0.1473, 0.5688]\n", + " PeriodicSite: Li (0.3785, 10.88, 18.17) [0.01863, 0.5356, 0.8946]\n", + " PeriodicSite: Li (18.78, 13.19, 14.89) [0.9246, 0.6491, 0.7329]\n", + " PeriodicSite: Li (8.247, 1.123, 0.8722) [0.406, 0.0553, 0.04294]\n", + " PeriodicSite: Li (6.9, 3.367, 10.15) [0.3397, 0.1657, 0.4999]\n", + " PeriodicSite: Li (8.008, 13.11, 4.453) [0.3943, 0.6452, 0.2192]\n", + " PeriodicSite: Li (4.971, 15.82, 12.48) [0.2447, 0.7787, 0.6146]\n", + " PeriodicSite: Li (15.56, 2.762, 0.5088) [0.7659, 0.136, 0.02505]\n", + " PeriodicSite: Li (1.821, 6.735, 14.59) [0.08966, 0.3316, 0.7183]\n", + " PeriodicSite: Li (4.723, 13.64, 7.854) [0.2325, 0.6714, 0.3866]\n", + " PeriodicSite: Li (13.51, 12.97, 9.533) [0.6651, 0.6384, 0.4693]\n", + " PeriodicSite: Li (14.22, 12.04, 5.807) [0.6999, 0.5927, 0.2859]\n", + " PeriodicSite: Li (5.093, 8.227, 16.69) [0.2507, 0.405, 0.8217]\n", + " PeriodicSite: Li (7.452, 14.59, 10.35) [0.3669, 0.7181, 0.5093]\n", + " PeriodicSite: Li (1.671, 17.98, 0.3881) [0.08228, 0.8851, 0.01911]\n", + " PeriodicSite: Li (16.79, 10.17, 7.014) [0.8265, 0.5009, 0.3453]\n", + " PeriodicSite: Li (3.735, 4.958, 17.96) [0.1839, 0.2441, 0.8841]\n", + " PeriodicSite: Li (17.31, 0.6059, 4.327) [0.852, 0.02982, 0.213]\n", + " PeriodicSite: Li (18.72, 19.91, 18.18) [0.9215, 0.9804, 0.895]\n", + " PeriodicSite: Li (6.316, 10.99, 7.138) [0.3109, 0.5412, 0.3514]\n", + " PeriodicSite: Li (7.043, 5.459, 18.46) [0.3468, 0.2688, 0.9089]\n", + " PeriodicSite: Li (7.904, 20.04, 7.736) [0.3891, 0.9864, 0.3809]\n", + " PeriodicSite: Li (9.128, 16.21, 17.02) [0.4494, 0.7978, 0.8377]\n", + " PeriodicSite: Li (17.62, 9.752, 9.401) [0.8674, 0.4801, 0.4628]\n", + " PeriodicSite: Li (17.02, 6.906, 20.04) [0.8378, 0.34, 0.9865]\n", + " PeriodicSite: Li (17.82, 20.0, 8.261) [0.8774, 0.9844, 0.4067]\n", + " PeriodicSite: Li (18.49, 15.95, 15.73) [0.9103, 0.785, 0.7746]\n", + " PeriodicSite: Li (6.836, 6.992, 9.279) [0.3366, 0.3442, 0.4568]\n", + " PeriodicSite: Li (5.065, 3.141, 18.0) [0.2494, 0.1546, 0.886]\n", + " PeriodicSite: Li (9.152, 18.14, 9.291) [0.4506, 0.8929, 0.4574]\n", + " PeriodicSite: Li (16.61, 11.34, 16.89) [0.8175, 0.558, 0.8316]\n", + " PeriodicSite: Li (19.78, 8.006, 8.261) [0.9738, 0.3941, 0.4067]\n", + " PeriodicSite: Li (17.54, 4.739, 18.33) [0.8637, 0.2333, 0.9024]\n", + " PeriodicSite: Li (17.15, 16.94, 10.08) [0.8444, 0.8341, 0.4962]\n", + " PeriodicSite: Li (16.76, 15.53, 18.41) [0.8252, 0.7645, 0.9063]\n", + " PeriodicSite: Li (9.778, 8.651, 8.516) [0.4814, 0.4259, 0.4192]\n", + " PeriodicSite: Li (5.532, 5.542, 2.122) [0.2723, 0.2728, 0.1045]\n", + " PeriodicSite: Li (6.08, 17.08, 9.421) [0.2993, 0.841, 0.4638]\n", + " PeriodicSite: Li (7.408, 15.37, 2.275) [0.3647, 0.7566, 0.112]\n", + " PeriodicSite: Li (15.06, 6.921, 8.422) [0.7414, 0.3407, 0.4146]\n", + " PeriodicSite: Li (20.17, 6.652, 17.07) [0.9932, 0.3275, 0.8406]\n", + " PeriodicSite: Li (16.12, 17.85, 6.536) [0.7938, 0.8786, 0.3218]\n", + " PeriodicSite: Li (15.27, 18.12, 16.89) [0.7515, 0.8919, 0.8317]\n", + " PeriodicSite: Li (7.125, 4.934, 12.22) [0.3508, 0.2429, 0.6017]\n", + " PeriodicSite: Li (6.349, 7.295, 19.87) [0.3126, 0.3592, 0.9783]\n", + " PeriodicSite: Li (9.54, 17.88, 6.022) [0.4697, 0.8802, 0.2965]\n", + " PeriodicSite: Li (11.53, 19.69, 2.587) [0.5676, 0.9692, 0.1274]\n", + " PeriodicSite: Li (16.99, 8.266, 5.409) [0.8362, 0.4069, 0.2663]\n", + " PeriodicSite: Li (13.4, 6.688, 20.28) [0.6595, 0.3292, 0.9986]\n", + " PeriodicSite: Li (20.02, 18.35, 8.524) [0.9855, 0.9034, 0.4197]\n", + " PeriodicSite: Li (18.13, 0.9332, 0.903) [0.8925, 0.04594, 0.04446]\n", + " PeriodicSite: Li (3.543, 9.934, 3.097) [0.1744, 0.4891, 0.1525]\n", + " PeriodicSite: Li (10.11, 8.079, 18.41) [0.4979, 0.3978, 0.9063]\n", + " PeriodicSite: Li (7.599, 15.98, 6.051) [0.3741, 0.7865, 0.2979]\n", + " PeriodicSite: Li (5.951, 20.07, 17.54) [0.293, 0.9882, 0.8634]\n", + " PeriodicSite: Li (18.23, 4.998, 7.219) [0.8976, 0.2461, 0.3554]\n", + " PeriodicSite: Li (18.01, 11.04, 0.6942) [0.8868, 0.5435, 0.03418]\n", + " PeriodicSite: Li (2.985, 15.41, 1.255) [0.1469, 0.7585, 0.06181]\n", + " PeriodicSite: Li (17.3, 1.877, 14.98) [0.8519, 0.09239, 0.7376]\n", + " PeriodicSite: Cl (7.592, 12.47, 12.69) [0.3737, 0.6139, 0.6245]\n", + " PeriodicSite: Cl (2.427, 12.84, 17.6) [0.1195, 0.6321, 0.8662]\n", + " PeriodicSite: Cl (12.87, 17.54, 12.96) [0.6338, 0.8635, 0.6382]\n", + " PeriodicSite: Cl (17.49, 7.003, 17.34) [0.8611, 0.3448, 0.8535]\n", + " PeriodicSite: Cl (7.177, 2.414, 2.454) [0.3534, 0.1189, 0.1208]\n", + " PeriodicSite: Cl (7.68, 7.704, 7.303) [0.3781, 0.3793, 0.3595]\n", + " PeriodicSite: Cl (12.74, 12.81, 7.293) [0.6271, 0.6305, 0.359]\n", + " PeriodicSite: Cl (2.486, 7.622, 2.696) [0.1224, 0.3752, 0.1328]\n", + " PeriodicSite: Cl (2.389, 7.981, 12.46) [0.1176, 0.3929, 0.6135]\n", + " PeriodicSite: Cl (12.79, 12.88, 17.66) [0.6297, 0.6343, 0.8693]\n", + " PeriodicSite: Cl (17.74, 17.56, 17.74) [0.8736, 0.8644, 0.8733]\n", + " PeriodicSite: Cl (2.498, 2.406, 7.836) [0.123, 0.1184, 0.3858]\n", + " PeriodicSite: Cl (13.15, 2.44, 18.04) [0.6472, 0.1201, 0.8884]\n", + " PeriodicSite: Cl (12.21, 7.46, 2.237) [0.601, 0.3672, 0.1101]\n", + " PeriodicSite: Cl (17.64, 2.651, 12.82) [0.8686, 0.1305, 0.6313]\n", + " PeriodicSite: Cl (7.664, 17.98, 17.47) [0.3773, 0.8853, 0.8603]\n", + " PeriodicSite: Cl (20.05, 19.98, 0.2056) [0.9872, 0.9838, 0.01013]\n", + " PeriodicSite: Cl (19.78, 0.2392, 9.275) [0.974, 0.01177, 0.4566]\n", + " PeriodicSite: Cl (20.08, 10.21, 0.1513) [0.9886, 0.5028, 0.007455]\n", + " PeriodicSite: Cl (19.88, 9.877, 10.3) [0.9787, 0.4862, 0.5072]\n", + " PeriodicSite: Cl (10.45, 0.3153, 0.1529) [0.5143, 0.01552, 0.007531]\n", + " PeriodicSite: Cl (9.808, 20.11, 10.4) [0.4829, 0.9898, 0.5119]\n", + " PeriodicSite: Cl (10.14, 10.46, 20.12) [0.4992, 0.515, 0.9904]\n", + " PeriodicSite: Cl (10.28, 10.1, 10.17) [0.5061, 0.4973, 0.5008]\n", + " PeriodicSite: Cl (19.76, 4.849, 5.225) [0.9729, 0.2387, 0.2572]\n", + " PeriodicSite: Cl (0.5532, 5.007, 15.41) [0.02724, 0.2465, 0.7589]\n", + " PeriodicSite: Cl (19.99, 14.86, 5.34) [0.9843, 0.7317, 0.2629]\n", + " PeriodicSite: Cl (0.4539, 15.34, 15.45) [0.02235, 0.7551, 0.7608]\n", + " PeriodicSite: Cl (10.02, 5.189, 4.91) [0.4934, 0.2555, 0.2417]\n", + " PeriodicSite: Cl (10.11, 5.299, 14.74) [0.4979, 0.2608, 0.7258]\n", + " PeriodicSite: Cl (9.882, 15.53, 4.769) [0.4865, 0.7647, 0.2348]\n", + " PeriodicSite: Cl (10.04, 14.7, 15.19) [0.4944, 0.7235, 0.7476]\n", + " PeriodicSite: S (4.525, 20.28, 4.691) [0.2228, 0.9984, 0.2309]\n", + " PeriodicSite: S (5.123, 20.0, 14.95) [0.2522, 0.9844, 0.7359]\n", + " PeriodicSite: S (4.849, 9.99, 5.136) [0.2387, 0.4918, 0.2528]\n", + " PeriodicSite: S (5.317, 10.18, 15.55) [0.2618, 0.5011, 0.7656]\n", + " PeriodicSite: S (14.84, 20.18, 5.243) [0.7304, 0.9935, 0.2581]\n", + " PeriodicSite: S (15.45, 20.19, 15.32) [0.7607, 0.9939, 0.7544]\n", + " PeriodicSite: S (15.44, 10.17, 4.858) [0.7601, 0.5009, 0.2392]\n", + " PeriodicSite: S (15.56, 9.958, 15.08) [0.766, 0.4902, 0.7422]\n", + " PeriodicSite: S (5.221, 4.949, 20.16) [0.257, 0.2437, 0.9927]\n", + " PeriodicSite: S (5.324, 5.237, 10.49) [0.2621, 0.2578, 0.5166]\n", + " PeriodicSite: S (5.26, 15.27, 0.247) [0.259, 0.7518, 0.01216]\n", + " PeriodicSite: S (5.052, 15.17, 10.25) [0.2487, 0.7467, 0.5047]\n", + " PeriodicSite: S (15.31, 5.149, 0.1038) [0.7536, 0.2535, 0.005116]\n", + " PeriodicSite: S (14.73, 4.89, 10.0) [0.7253, 0.2407, 0.4924]\n", + " PeriodicSite: S (15.51, 15.23, 0.1912) [0.7633, 0.7499, 0.009418]\n", + " PeriodicSite: S (15.47, 15.17, 10.35) [0.7614, 0.7466, 0.5093]\n", + " PeriodicSite: S (8.543, 4.379, 8.676) [0.4206, 0.2156, 0.4271]\n", + " PeriodicSite: S (8.788, 3.971, 19.44) [0.4326, 0.1955, 0.957]\n", + " PeriodicSite: S (9.287, 14.32, 8.761) [0.4572, 0.705, 0.4313]\n", + " PeriodicSite: S (9.424, 14.28, 18.65) [0.464, 0.7032, 0.9181]\n", + " PeriodicSite: S (18.6, 4.082, 9.356) [0.9158, 0.2009, 0.4606]\n", + " PeriodicSite: S (19.51, 3.777, 19.31) [0.9605, 0.1859, 0.9508]\n", + " PeriodicSite: S (18.98, 14.24, 8.986) [0.9342, 0.7012, 0.4424]\n", + " PeriodicSite: S (19.41, 13.74, 19.17) [0.9556, 0.6764, 0.9436]\n", + " PeriodicSite: S (3.692, 1.416, 1.037) [0.1817, 0.06973, 0.05105]\n", + " PeriodicSite: S (4.056, 0.9069, 11.55) [0.1997, 0.04465, 0.5684]\n", + " PeriodicSite: S (4.042, 11.29, 1.45) [0.199, 0.5559, 0.07137]\n", + " PeriodicSite: S (3.647, 11.33, 11.43) [0.1795, 0.558, 0.5629]\n", + " PeriodicSite: S (14.04, 1.287, 1.344) [0.6913, 0.06336, 0.06615]\n", + " PeriodicSite: S (13.78, 0.9981, 11.49) [0.6784, 0.04913, 0.5658]\n", + " PeriodicSite: S (14.08, 11.23, 1.146) [0.6933, 0.5527, 0.05644]\n", + " PeriodicSite: S (14.24, 11.54, 11.65) [0.7011, 0.5679, 0.5734]\n", + " PeriodicSite: S (6.305, 1.33, 9.013) [0.3104, 0.06548, 0.4437]\n", + " PeriodicSite: S (6.278, 1.438, 19.09) [0.3091, 0.0708, 0.9396]\n", + " PeriodicSite: S (6.391, 11.59, 9.432) [0.3146, 0.5708, 0.4643]\n", + " PeriodicSite: S (5.776, 11.55, 19.09) [0.2844, 0.5685, 0.9398]\n", + " PeriodicSite: S (16.04, 1.244, 9.104) [0.7896, 0.06125, 0.4482]\n", + " PeriodicSite: S (16.64, 0.9763, 19.34) [0.8193, 0.04806, 0.9523]\n", + " PeriodicSite: S (16.06, 11.41, 9.056) [0.7905, 0.5616, 0.4458]\n", + " PeriodicSite: S (16.58, 10.82, 19.19) [0.8162, 0.5328, 0.9446]\n", + " PeriodicSite: S (1.455, 4.555, 1.57) [0.07162, 0.2242, 0.07732]\n", + " PeriodicSite: S (1.109, 3.736, 11.24) [0.05459, 0.1839, 0.5534]\n", + " PeriodicSite: S (1.176, 13.82, 1.834) [0.05788, 0.6806, 0.09031]\n", + " PeriodicSite: S (1.068, 13.85, 11.3) [0.05255, 0.6821, 0.5561]\n", + " PeriodicSite: S (11.12, 4.144, 1.438) [0.5472, 0.204, 0.0708]\n", + " PeriodicSite: S (10.91, 4.079, 11.25) [0.5369, 0.2008, 0.554]\n", + " PeriodicSite: S (11.72, 14.26, 0.9024) [0.5768, 0.7022, 0.04443]\n", + " PeriodicSite: S (11.81, 13.74, 10.84) [0.5812, 0.6763, 0.5335]\n", + " PeriodicSite: S (2.921, 2.684, 17.71) [0.1438, 0.1321, 0.8719]\n", + " PeriodicSite: S (2.495, 12.89, 7.345) [0.1228, 0.6345, 0.3616]\n", + " PeriodicSite: S (12.5, 2.433, 7.753) [0.6156, 0.1198, 0.3817]\n", + " PeriodicSite: S (8.784, 9.293, 3.962) [0.4325, 0.4575, 0.1951]\n", + " PeriodicSite: S (9.049, 8.775, 13.88) [0.4455, 0.432, 0.6835]\n", + " PeriodicSite: S (8.905, 19.12, 3.892) [0.4384, 0.9411, 0.1916]\n", + " PeriodicSite: S (9.56, 19.64, 13.69) [0.4706, 0.967, 0.6739]\n", + " PeriodicSite: S (19.39, 8.509, 4.035) [0.9548, 0.4189, 0.1986]\n", + " PeriodicSite: S (19.19, 8.909, 13.92) [0.9448, 0.4386, 0.6853]\n", + " PeriodicSite: S (18.9, 18.93, 3.849) [0.9303, 0.9318, 0.1895]\n", + " PeriodicSite: S (19.41, 19.05, 14.03) [0.9556, 0.9377, 0.6908]\n", + " PeriodicSite: S (4.09, 6.123, 6.402) [0.2014, 0.3014, 0.3152]\n", + " PeriodicSite: S (3.757, 6.305, 16.0) [0.185, 0.3104, 0.7879]\n", + " PeriodicSite: S (4.029, 16.56, 6.608) [0.1983, 0.8151, 0.3253]\n", + " PeriodicSite: S (3.892, 16.3, 16.29) [0.1916, 0.8025, 0.8019]\n", + " PeriodicSite: S (14.03, 6.491, 6.402) [0.6905, 0.3196, 0.3152]\n", + " PeriodicSite: S (13.82, 5.906, 16.0) [0.6806, 0.2907, 0.7877]\n", + " PeriodicSite: S (13.99, 16.22, 6.573) [0.6886, 0.7984, 0.3236]\n", + " PeriodicSite: S (14.38, 15.92, 16.76) [0.708, 0.7839, 0.8251]\n", + " PeriodicSite: S (6.611, 6.144, 4.285) [0.3255, 0.3025, 0.211]\n", + " PeriodicSite: S (6.4, 6.426, 13.89) [0.3151, 0.3164, 0.6838]\n", + " PeriodicSite: S (6.139, 16.71, 3.988) [0.3022, 0.8226, 0.1964]\n", + " PeriodicSite: S (6.732, 16.19, 14.49) [0.3314, 0.7971, 0.7134]\n", + " PeriodicSite: S (16.09, 6.376, 3.738) [0.7919, 0.3139, 0.184]\n", + " PeriodicSite: S (16.41, 6.225, 13.77) [0.808, 0.3065, 0.6777]\n", + " PeriodicSite: S (16.28, 16.17, 4.345) [0.8013, 0.7958, 0.2139]\n", + " PeriodicSite: S (16.53, 16.48, 14.31) [0.8139, 0.8115, 0.7045]\n", + " PeriodicSite: S (1.317, 8.681, 6.224) [0.06485, 0.4274, 0.3064]\n", + " PeriodicSite: S (1.13, 8.859, 16.17) [0.05566, 0.4361, 0.7963]\n", + " PeriodicSite: S (1.095, 19.26, 6.093) [0.0539, 0.9481, 0.3]\n", + " PeriodicSite: S (1.154, 19.12, 16.75) [0.05682, 0.9412, 0.8246]\n", + " PeriodicSite: S (10.93, 9.212, 6.328) [0.5382, 0.4535, 0.3116]\n", + " PeriodicSite: S (11.41, 8.975, 16.38) [0.5618, 0.4419, 0.8063]\n", + " PeriodicSite: S (11.06, 19.73, 6.401) [0.5447, 0.9716, 0.3151]\n", + " PeriodicSite: S (11.38, 19.91, 16.63) [0.5605, 0.9803, 0.8188]\n", + " PeriodicSite: S (2.244, 17.51, 2.636) [0.1105, 0.8621, 0.1298]\n", + " PeriodicSite: S (2.717, 17.3, 12.74) [0.1338, 0.8518, 0.627]\n", + " PeriodicSite: S (12.71, 7.665, 12.61) [0.6256, 0.3773, 0.6206]\n", + " PeriodicSite: S (12.84, 17.69, 2.881) [0.6321, 0.8711, 0.1419]\n", + " PeriodicSite: S (4.03, 4.343, 3.371) [0.1984, 0.2138, 0.166]\n", + " PeriodicSite: S (4.1, 3.551, 14.01) [0.2018, 0.1748, 0.6899]\n", + " PeriodicSite: S (3.648, 14.34, 3.891) [0.1796, 0.7059, 0.1916]\n", + " PeriodicSite: S (4.314, 13.84, 13.83) [0.2124, 0.6811, 0.6809]\n", + " PeriodicSite: S (13.65, 4.225, 3.994) [0.6721, 0.208, 0.1966]\n", + " PeriodicSite: S (14.4, 3.692, 13.67) [0.7092, 0.1817, 0.6732]\n", + " PeriodicSite: S (13.76, 13.86, 4.268) [0.6772, 0.6824, 0.2101]\n", + " PeriodicSite: S (14.3, 13.85, 14.35) [0.7038, 0.6818, 0.7067]\n", + " PeriodicSite: S (8.45, 1.574, 5.901) [0.416, 0.07749, 0.2905]\n", + " PeriodicSite: S (8.698, 1.376, 16.05) [0.4282, 0.06773, 0.7903]\n", + " PeriodicSite: S (8.959, 11.75, 6.626) [0.4411, 0.5786, 0.3262]\n", + " PeriodicSite: S (8.75, 11.15, 16.08) [0.4308, 0.5491, 0.7914]\n", + " PeriodicSite: S (18.9, 1.141, 5.912) [0.9304, 0.05618, 0.291]\n", + " PeriodicSite: S (19.28, 1.173, 16.39) [0.949, 0.05774, 0.8071]\n", + " PeriodicSite: S (19.12, 10.97, 6.28) [0.9415, 0.5401, 0.3092]\n", + " PeriodicSite: S (19.21, 11.41, 16.16) [0.9459, 0.5617, 0.7956]\n", + " PeriodicSite: S (0.8227, 1.013, 3.333) [0.0405, 0.04986, 0.1641]\n", + " PeriodicSite: S (1.482, 1.112, 14.25) [0.07296, 0.05472, 0.7017]\n", + " PeriodicSite: S (1.24, 11.13, 3.783) [0.06103, 0.5478, 0.1862]\n", + " PeriodicSite: S (1.383, 11.34, 13.92) [0.06808, 0.5585, 0.6852]\n", + " PeriodicSite: S (11.03, 1.473, 3.731) [0.543, 0.07251, 0.1837]\n", + " PeriodicSite: S (11.39, 2.058, 14.26) [0.5605, 0.1013, 0.7018]\n", + " PeriodicSite: S (10.74, 11.76, 3.877) [0.5289, 0.5789, 0.1909]\n", + " PeriodicSite: S (11.28, 11.35, 13.86) [0.5553, 0.5589, 0.6823]\n", + " PeriodicSite: S (5.851, 3.401, 5.982) [0.2881, 0.1674, 0.2945]\n", + " PeriodicSite: S (6.493, 4.102, 16.32) [0.3197, 0.202, 0.8034]\n", + " PeriodicSite: S (6.186, 14.18, 6.081) [0.3045, 0.698, 0.2994]\n", + " PeriodicSite: S (6.089, 13.79, 16.75) [0.2997, 0.6791, 0.8244]\n", + " PeriodicSite: S (16.26, 3.787, 6.051) [0.8007, 0.1864, 0.2979]\n", + " PeriodicSite: S (16.23, 3.715, 16.43) [0.7991, 0.1829, 0.8089]\n", + " PeriodicSite: S (16.36, 13.69, 6.512) [0.8053, 0.674, 0.3206]\n", + " PeriodicSite: S (17.08, 13.99, 16.4) [0.841, 0.6887, 0.8073]\n", + " PeriodicSite: S (7.115, 2.665, 12.61) [0.3503, 0.1312, 0.6209]\n", + " PeriodicSite: S (7.59, 12.93, 2.261) [0.3737, 0.6366, 0.1113]\n", + " PeriodicSite: S (17.34, 2.444, 2.562) [0.8536, 0.1203, 0.1262]\n", + " PeriodicSite: S (17.43, 12.55, 2.537) [0.8581, 0.6179, 0.1249]\n", + " PeriodicSite: S (17.63, 12.8, 12.88) [0.8681, 0.6302, 0.6339]\n", + " PeriodicSite: S (4.323, 9.242, 8.887) [0.2128, 0.455, 0.4375]\n", + " PeriodicSite: S (3.882, 8.911, 19.31) [0.1911, 0.4387, 0.9506]\n", + " PeriodicSite: S (3.99, 19.27, 8.746) [0.1964, 0.9486, 0.4306]\n", + " PeriodicSite: S (4.054, 19.38, 19.24) [0.1996, 0.9541, 0.9473]\n", + " PeriodicSite: S (13.76, 8.985, 9.167) [0.6774, 0.4423, 0.4513]\n", + " PeriodicSite: S (13.71, 8.951, 19.11) [0.6749, 0.4407, 0.9406]\n", + " PeriodicSite: S (13.66, 19.17, 9.246) [0.6725, 0.9439, 0.4552]\n", + " PeriodicSite: S (14.0, 19.12, 19.23) [0.6891, 0.9413, 0.9468]\n", + " PeriodicSite: S (8.919, 6.674, 0.9958) [0.4391, 0.3286, 0.04902]\n", + " PeriodicSite: S (8.862, 6.754, 10.69) [0.4363, 0.3325, 0.5264]\n", + " PeriodicSite: S (9.021, 16.36, 0.6368) [0.4441, 0.8053, 0.03135]\n", + " PeriodicSite: S (9.219, 15.78, 11.61) [0.4539, 0.7766, 0.5714]\n", + " PeriodicSite: S (19.04, 6.414, 0.8302) [0.9374, 0.3158, 0.04088]\n", + " PeriodicSite: S (19.33, 6.401, 11.59) [0.9517, 0.3151, 0.5705]\n", + " PeriodicSite: S (19.06, 16.32, 1.115) [0.9381, 0.8035, 0.05489]\n", + " PeriodicSite: S (19.14, 16.49, 11.67) [0.9425, 0.8118, 0.5747]\n", + " PeriodicSite: S (0.9792, 6.226, 8.834) [0.04821, 0.3065, 0.4349]\n", + " PeriodicSite: S (1.279, 6.352, 18.98) [0.06298, 0.3127, 0.9344]\n", + " PeriodicSite: S (1.3, 16.43, 9.255) [0.06398, 0.8087, 0.4556]\n", + " PeriodicSite: S (1.45, 15.9, 19.7) [0.07141, 0.7828, 0.9697]\n", + " PeriodicSite: S (11.32, 6.224, 8.503) [0.5575, 0.3064, 0.4186]\n", + " PeriodicSite: S (11.27, 6.031, 18.96) [0.5551, 0.2969, 0.9335]\n", + " PeriodicSite: S (11.37, 16.67, 9.403) [0.5599, 0.8205, 0.4629]\n", + " PeriodicSite: S (11.71, 16.64, 19.19) [0.5766, 0.819, 0.9447]\n", + " PeriodicSite: S (6.402, 9.07, 1.081) [0.3152, 0.4465, 0.05322]\n", + " PeriodicSite: S (6.098, 9.189, 11.65) [0.3002, 0.4524, 0.5734]\n", + " PeriodicSite: S (6.348, 19.31, 1.11) [0.3125, 0.9508, 0.05466]\n", + " PeriodicSite: S (6.394, 18.97, 11.0) [0.3148, 0.934, 0.5417]\n", + " PeriodicSite: S (16.4, 8.773, 1.348) [0.8076, 0.4319, 0.06637]\n", + " PeriodicSite: S (16.38, 9.041, 11.36) [0.8064, 0.4451, 0.5591]\n", + " PeriodicSite: S (16.38, 19.15, 1.473) [0.8062, 0.9429, 0.07253]\n", + " PeriodicSite: S (16.44, 19.2, 11.49) [0.8094, 0.945, 0.5659]\n", + " PeriodicSite: S (7.35, 7.625, 17.84) [0.3619, 0.3754, 0.8785]\n", + " PeriodicSite: S (7.641, 17.78, 7.538) [0.3762, 0.8755, 0.3711]\n", + " PeriodicSite: S (17.23, 7.481, 7.921) [0.8482, 0.3683, 0.3899]\n", + " PeriodicSite: S (17.75, 17.54, 7.957) [0.8737, 0.8637, 0.3917]\n", + " PeriodicSite: P (5.202, 0.2895, 0.1035) [0.2561, 0.01425, 0.005098]\n", + " PeriodicSite: P (5.132, 20.28, 10.12) [0.2526, 0.9984, 0.4982]\n", + " PeriodicSite: P (5.068, 10.08, 0.09726) [0.2495, 0.4965, 0.004791]\n", + " PeriodicSite: P (5.116, 10.39, 10.36) [0.2519, 0.5116, 0.5101]\n", + " PeriodicSite: P (15.19, 20.17, 0.1369) [0.7479, 0.9929, 0.006746]\n", + " PeriodicSite: P (15.09, 20.22, 10.38) [0.7431, 0.9954, 0.511]\n", + " PeriodicSite: P (15.23, 9.765, 0.06737) [0.75, 0.4807, 0.003321]\n", + " PeriodicSite: P (15.06, 10.16, 10.34) [0.7414, 0.5, 0.5089]\n", + " PeriodicSite: P (5.066, 5.048, 4.939) [0.2494, 0.2485, 0.2431]\n", + " PeriodicSite: P (5.189, 5.17, 15.01) [0.2555, 0.2545, 0.7391]\n", + " PeriodicSite: P (4.971, 15.51, 5.045) [0.2447, 0.7635, 0.2484]\n", + " PeriodicSite: P (5.244, 15.09, 15.34) [0.2581, 0.7427, 0.7552]\n", + " PeriodicSite: P (15.1, 5.156, 5.104) [0.7436, 0.2538, 0.2513]\n", + " PeriodicSite: P (15.29, 4.927, 14.95) [0.7526, 0.2426, 0.7362]\n", + " PeriodicSite: P (15.16, 14.96, 5.436) [0.7461, 0.7363, 0.2676]\n", + " PeriodicSite: P (15.54, 15.06, 15.45) [0.7653, 0.7416, 0.7607]\n", + " PeriodicSite: P (20.11, 20.21, 4.752) [0.9901, 0.9951, 0.2339]\n", + " PeriodicSite: P (0.2803, 20.28, 15.42) [0.0138, 0.9984, 0.7591]\n", + " PeriodicSite: P (0.1308, 9.892, 5.051) [0.006438, 0.487, 0.2487]\n", + " PeriodicSite: P (0.03825, 10.17, 15.07) [0.001883, 0.5008, 0.742]\n", + " PeriodicSite: P (9.882, 0.4184, 4.985) [0.4865, 0.02059, 0.2454]\n", + " PeriodicSite: P (10.36, 0.5147, 15.22) [0.5098, 0.02534, 0.7495]\n", + " PeriodicSite: P (9.853, 10.52, 5.198) [0.4851, 0.5178, 0.2559]\n", + " PeriodicSite: P (10.16, 10.14, 15.04) [0.5002, 0.4991, 0.7403]\n", + " PeriodicSite: P (0.1957, 5.219, 0.03176) [0.009634, 0.2569, 0.001564]\n", + " PeriodicSite: P (20.15, 5.13, 10.22) [0.9918, 0.2526, 0.5034]\n", + " PeriodicSite: P (0.07974, 14.86, 0.322) [0.003919, 0.7314, 0.01586]\n", + " PeriodicSite: P (20.15, 15.35, 10.25) [0.9919, 0.7557, 0.5044]\n", + " PeriodicSite: P (9.997, 5.28, 20.3) [0.4922, 0.2599, 0.9993]\n", + " PeriodicSite: P (10.04, 5.237, 9.882) [0.4942, 0.2578, 0.4865]\n", + " PeriodicSite: P (10.4, 15.31, 19.99) [0.5122, 0.7538, 0.9843]\n", + " PeriodicSite: P (10.45, 15.12, 10.14) [0.5144, 0.7441, 0.4991],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.4846, 6.686, 4.461) [0.02385, 0.3291, 0.2196]\n", + " PeriodicSite: Li (2.345, 3.001, 15.64) [0.1154, 0.1478, 0.7699]\n", + " PeriodicSite: Li (0.2749, 13.04, 7.101) [0.01353, 0.6418, 0.3496]\n", + " PeriodicSite: Li (0.6554, 14.15, 17.14) [0.03227, 0.6968, 0.8438]\n", + " PeriodicSite: Li (14.24, 0.3279, 7.584) [0.7009, 0.01614, 0.3734]\n", + " PeriodicSite: Li (11.77, 3.983, 15.1) [0.5797, 0.1961, 0.7435]\n", + " PeriodicSite: Li (15.36, 11.54, 3.063) [0.7561, 0.5681, 0.1508]\n", + " PeriodicSite: Li (17.39, 8.008, 15.28) [0.8561, 0.3943, 0.7523]\n", + " PeriodicSite: Li (4.05, 3.958, 8.385) [0.1994, 0.1949, 0.4128]\n", + " PeriodicSite: Li (1.459, 1.06, 19.16) [0.07181, 0.05219, 0.9434]\n", + " PeriodicSite: Li (3.473, 8.049, 5.171) [0.171, 0.3963, 0.2546]\n", + " PeriodicSite: Li (7.12, 10.22, 17.44) [0.3505, 0.5033, 0.8586]\n", + " PeriodicSite: Li (11.98, 4.783, 6.285) [0.5899, 0.2355, 0.3094]\n", + " PeriodicSite: Li (12.06, 1.389, 0.08428) [0.5936, 0.06835, 0.004152]\n", + " PeriodicSite: Li (11.72, 9.744, 12.45) [0.5769, 0.4797, 0.6129]\n", + " PeriodicSite: Li (9.735, 18.33, 18.91) [0.4793, 0.9025, 0.9307]\n", + " PeriodicSite: Li (4.582, 1.195, 6.931) [0.2256, 0.05882, 0.3412]\n", + " PeriodicSite: Li (3.232, 19.75, 13.03) [0.1591, 0.9722, 0.6416]\n", + " PeriodicSite: Li (3.205, 10.5, 7.43) [0.1578, 0.5169, 0.3658]\n", + " PeriodicSite: Li (6.681, 9.819, 13.8) [0.3289, 0.4834, 0.6793]\n", + " PeriodicSite: Li (12.34, 1.042, 9.765) [0.6076, 0.0513, 0.4808]\n", + " PeriodicSite: Li (10.39, 2.296, 17.68) [0.5113, 0.113, 0.8704]\n", + " PeriodicSite: Li (14.41, 16.62, 8.937) [0.7095, 0.8183, 0.44]\n", + " PeriodicSite: Li (12.49, 11.03, 19.29) [0.615, 0.5428, 0.9499]\n", + " PeriodicSite: Li (20.28, 3.292, 7.202) [0.9982, 0.1621, 0.3546]\n", + " PeriodicSite: Li (20.16, 3.116, 17.2) [0.9926, 0.1534, 0.8467]\n", + " PeriodicSite: Li (2.176, 15.11, 6.497) [0.1071, 0.7441, 0.3199]\n", + " PeriodicSite: Li (4.335, 14.13, 18.79) [0.2134, 0.6956, 0.9251]\n", + " PeriodicSite: Li (13.34, 2.099, 5.652) [0.6569, 0.1033, 0.2783]\n", + " PeriodicSite: Li (14.69, 1.614, 17.36) [0.7232, 0.07943, 0.8548]\n", + " PeriodicSite: Li (11.27, 12.11, 9.557) [0.555, 0.5962, 0.4705]\n", + " PeriodicSite: Li (17.16, 17.21, 0.06461) [0.845, 0.8471, 0.003187]\n", + " PeriodicSite: Li (6.603, 0.168, 3.503) [0.3251, 0.008267, 0.1724]\n", + " PeriodicSite: Li (0.2727, 19.05, 1.825) [0.01342, 0.938, 0.08983]\n", + " PeriodicSite: Li (2.891, 14.46, 9.368) [0.1423, 0.712, 0.4612]\n", + " PeriodicSite: Li (2.327, 17.31, 15.3) [0.1146, 0.8521, 0.753]\n", + " PeriodicSite: Li (15.05, 3.836, 8.395) [0.7408, 0.1888, 0.4133]\n", + " PeriodicSite: Li (13.62, 4.887, 18.36) [0.6704, 0.2406, 0.9038]\n", + " PeriodicSite: Li (16.54, 15.08, 8.277) [0.8142, 0.7425, 0.4075]\n", + " PeriodicSite: Li (10.44, 13.17, 16.32) [0.5141, 0.6486, 0.8033]\n", + " PeriodicSite: Li (4.909, 2.431, 4.023) [0.2417, 0.1197, 0.198]\n", + " PeriodicSite: Li (3.347, 0.3303, 16.55) [0.1648, 0.01626, 0.8149]\n", + " PeriodicSite: Li (2.863, 12.37, 5.421) [0.1409, 0.609, 0.2669]\n", + " PeriodicSite: Li (18.84, 13.01, 4.613) [0.9275, 0.6407, 0.2271]\n", + " PeriodicSite: Li (10.28, 2.269, 7.297) [0.5059, 0.1117, 0.3592]\n", + " PeriodicSite: Li (17.45, 19.75, 15.68) [0.8591, 0.9724, 0.7719]\n", + " PeriodicSite: Li (13.52, 8.905, 6.3) [0.6655, 0.4384, 0.3102]\n", + " PeriodicSite: Li (14.9, 8.232, 16.8) [0.7334, 0.4052, 0.827]\n", + " PeriodicSite: Li (3.212, 11.9, 15.15) [0.1581, 0.5857, 0.7461]\n", + " PeriodicSite: Li (1.538, 11.48, 9.782) [0.0757, 0.5652, 0.4816]\n", + " PeriodicSite: Li (0.8556, 16.18, 3.177) [0.04211, 0.7967, 0.1564]\n", + " PeriodicSite: Li (1.334, 1.577, 9.959) [0.0657, 0.07762, 0.4903]\n", + " PeriodicSite: Li (11.02, 5.723, 2.703) [0.5426, 0.2818, 0.1331]\n", + " PeriodicSite: Li (12.36, 7.587, 15.05) [0.6087, 0.3735, 0.741]\n", + " PeriodicSite: Li (10.87, 12.67, 5.897) [0.5353, 0.6236, 0.2903]\n", + " PeriodicSite: Li (13.57, 1.339, 14.74) [0.6679, 0.06593, 0.7257]\n", + " PeriodicSite: Li (3.046, 6.733, 0.8161) [0.1499, 0.3315, 0.04018]\n", + " PeriodicSite: Li (2.973, 6.043, 10.64) [0.1464, 0.2975, 0.5239]\n", + " PeriodicSite: Li (6.312, 17.23, 19.75) [0.3107, 0.848, 0.9721]\n", + " PeriodicSite: Li (4.925, 18.16, 15.61) [0.2424, 0.8942, 0.7683]\n", + " PeriodicSite: Li (13.77, 4.266, 1.545) [0.6779, 0.21, 0.07606]\n", + " PeriodicSite: Li (10.24, 6.344, 12.56) [0.5043, 0.3123, 0.6183]\n", + " PeriodicSite: Li (12.47, 16.02, 4.917) [0.6139, 0.7887, 0.2421]\n", + " PeriodicSite: Li (10.72, 16.83, 13.76) [0.528, 0.8285, 0.6777]\n", + " PeriodicSite: Li (4.025, 10.65, 17.56) [0.1982, 0.5242, 0.8645]\n", + " PeriodicSite: Li (5.025, 6.615, 12.37) [0.2474, 0.3257, 0.6091]\n", + " PeriodicSite: Li (4.846, 17.05, 2.183) [0.2386, 0.8393, 0.1075]\n", + " PeriodicSite: Li (3.12, 17.03, 10.2) [0.1536, 0.8384, 0.5021]\n", + " PeriodicSite: Li (11.01, 8.595, 1.521) [0.5422, 0.4231, 0.07488]\n", + " PeriodicSite: Li (14.03, 5.843, 12.23) [0.6905, 0.2877, 0.6022]\n", + " PeriodicSite: Li (10.77, 16.43, 2.798) [0.5301, 0.809, 0.1378]\n", + " PeriodicSite: Li (13.53, 15.23, 12.03) [0.6663, 0.75, 0.5925]\n", + " PeriodicSite: Li (0.4851, 8.557, 1.477) [0.02388, 0.4213, 0.07269]\n", + " PeriodicSite: Li (17.18, 5.76, 10.34) [0.8456, 0.2836, 0.5089]\n", + " PeriodicSite: Li (3.195, 17.99, 4.784) [0.1573, 0.8855, 0.2355]\n", + " PeriodicSite: Li (0.5839, 17.91, 12.34) [0.02874, 0.8818, 0.6073]\n", + " PeriodicSite: Li (9.326, 7.354, 5.558) [0.4592, 0.3621, 0.2736]\n", + " PeriodicSite: Li (13.15, 10.51, 16.35) [0.6476, 0.5176, 0.805]\n", + " PeriodicSite: Li (14.16, 15.5, 2.567) [0.6972, 0.7631, 0.1264]\n", + " PeriodicSite: Li (12.79, 15.04, 15.92) [0.6295, 0.7406, 0.7839]\n", + " PeriodicSite: Li (6.747, 8.562, 5.329) [0.3321, 0.4215, 0.2624]\n", + " PeriodicSite: Li (20.04, 12.27, 12.25) [0.9864, 0.6041, 0.6029]\n", + " PeriodicSite: Li (19.02, 15.95, 7.159) [0.9363, 0.7851, 0.3525]\n", + " PeriodicSite: Li (7.627, 19.07, 15.5) [0.3755, 0.939, 0.7628]\n", + " PeriodicSite: Li (17.47, 10.46, 4.036) [0.8599, 0.515, 0.1987]\n", + " PeriodicSite: Li (12.36, 7.408, 10.43) [0.6083, 0.3647, 0.5134]\n", + " PeriodicSite: Li (13.41, 17.09, 0.8037) [0.6603, 0.8413, 0.03957]\n", + " PeriodicSite: Li (11.93, 18.31, 10.94) [0.5875, 0.9013, 0.5386]\n", + " PeriodicSite: Li (3.257, 3.559, 0.1854) [0.1603, 0.1752, 0.00913]\n", + " PeriodicSite: Li (3.224, 9.579, 13.04) [0.1587, 0.4716, 0.6422]\n", + " PeriodicSite: Li (3.319, 0.0004978, 2.749) [0.1634, 2.32e-05, 0.1353]\n", + " PeriodicSite: Li (2.154, 15.17, 13.52) [0.1061, 0.7467, 0.6655]\n", + " PeriodicSite: Li (14.87, 8.371, 3.284) [0.7321, 0.4121, 0.1617]\n", + " PeriodicSite: Li (14.94, 8.327, 13.43) [0.7354, 0.4099, 0.6612]\n", + " PeriodicSite: Li (12.65, 19.24, 5.094) [0.6228, 0.9472, 0.2508]\n", + " PeriodicSite: Li (19.36, 3.881, 12.8) [0.9532, 0.1911, 0.63]\n", + " PeriodicSite: Li (9.428, 3.345, 2.806) [0.4642, 0.1647, 0.1381]\n", + " PeriodicSite: Li (9.488, 0.9764, 12.28) [0.4671, 0.04807, 0.6048]\n", + " PeriodicSite: Li (6.11, 11.12, 3.024) [0.3008, 0.5473, 0.1489]\n", + " PeriodicSite: Li (6.263, 12.46, 14.86) [0.3083, 0.6135, 0.7318]\n", + " PeriodicSite: Li (17.98, 3.261, 4.955) [0.8853, 0.1605, 0.2439]\n", + " PeriodicSite: Li (12.75, 4.327, 9.734) [0.6275, 0.213, 0.4792]\n", + " PeriodicSite: Li (19.95, 12.35, 1.526) [0.9819, 0.6081, 0.07513]\n", + " PeriodicSite: Li (17.33, 10.53, 13.13) [0.8531, 0.5182, 0.6465]\n", + " PeriodicSite: Li (5.898, 18.68, 6.367) [0.2903, 0.9198, 0.3135]\n", + " PeriodicSite: Li (9.315, 3.351, 13.84) [0.4586, 0.165, 0.6814]\n", + " PeriodicSite: Li (6.705, 13.58, 20.08) [0.3301, 0.6683, 0.9885]\n", + " PeriodicSite: Li (9.867, 12.87, 13.14) [0.4858, 0.6336, 0.6469]\n", + " PeriodicSite: Li (14.53, 19.41, 3.058) [0.7151, 0.9557, 0.1505]\n", + " PeriodicSite: Li (18.03, 0.4681, 11.4) [0.8875, 0.02304, 0.5614]\n", + " PeriodicSite: Li (17.24, 14.66, 2.083) [0.8485, 0.7218, 0.1026]\n", + " PeriodicSite: Li (17.12, 14.89, 12.32) [0.843, 0.7333, 0.6065]\n", + " PeriodicSite: Li (7.776, 4.304, 6.167) [0.3828, 0.2119, 0.3036]\n", + " PeriodicSite: Li (6.176, 0.4946, 13.01) [0.3041, 0.02435, 0.6407]\n", + " PeriodicSite: Li (10.26, 12.73, 2.531) [0.5052, 0.6267, 0.1246]\n", + " PeriodicSite: Li (5.078, 13.15, 11.51) [0.25, 0.6476, 0.5666]\n", + " PeriodicSite: Li (19.78, 3.229, 2.829) [0.9737, 0.159, 0.1393]\n", + " PeriodicSite: Li (0.1408, 8.041, 11.57) [0.006933, 0.3959, 0.5696]\n", + " PeriodicSite: Li (15.97, 12.8, 0.6544) [0.7863, 0.63, 0.03222]\n", + " PeriodicSite: Li (15.03, 11.85, 13.75) [0.7398, 0.5834, 0.6769]\n", + " PeriodicSite: Li (2.458, 0.9753, 5.557) [0.121, 0.04801, 0.2736]\n", + " PeriodicSite: Li (6.8, 2.294, 14.83) [0.3348, 0.1129, 0.7302]\n", + " PeriodicSite: Li (4.791, 13.43, 1.774) [0.2358, 0.661, 0.08733]\n", + " PeriodicSite: Li (8.344, 6.945, 15.56) [0.4108, 0.3419, 0.7662]\n", + " PeriodicSite: Li (17.16, 5.059, 1.914) [0.845, 0.249, 0.09425]\n", + " PeriodicSite: Li (15.04, 18.96, 13.6) [0.7403, 0.9332, 0.6694]\n", + " PeriodicSite: Li (13.35, 15.06, 18.85) [0.657, 0.7412, 0.9279]\n", + " PeriodicSite: Li (16.48, 12.86, 10.89) [0.8113, 0.6329, 0.5359]\n", + " PeriodicSite: Li (6.241, 3.209, 0.08252) [0.3073, 0.158, 0.004064]\n", + " PeriodicSite: Li (5.073, 3.279, 11.8) [0.2497, 0.1614, 0.5807]\n", + " PeriodicSite: Li (8.118, 10.65, 0.9367) [0.3996, 0.5245, 0.04612]\n", + " PeriodicSite: Li (8.121, 10.64, 11.15) [0.3998, 0.524, 0.5488]\n", + " PeriodicSite: Li (15.18, 2.134, 3.281) [0.7473, 0.1051, 0.1615]\n", + " PeriodicSite: Li (15.61, 3.334, 11.88) [0.7685, 0.1641, 0.5847]\n", + " PeriodicSite: Li (0.5407, 10.58, 18.23) [0.02662, 0.5209, 0.8977]\n", + " PeriodicSite: Li (18.34, 13.9, 14.76) [0.9029, 0.6845, 0.7264]\n", + " PeriodicSite: Li (8.198, 0.3559, 1.056) [0.4036, 0.01752, 0.05198]\n", + " PeriodicSite: Li (6.929, 2.782, 10.22) [0.3411, 0.137, 0.5029]\n", + " PeriodicSite: Li (7.67, 12.8, 4.332) [0.3776, 0.6302, 0.2133]\n", + " PeriodicSite: Li (4.957, 16.2, 12.26) [0.2441, 0.7976, 0.6038]\n", + " PeriodicSite: Li (16.06, 2.716, 0.3762) [0.7909, 0.1337, 0.01853]\n", + " PeriodicSite: Li (2.336, 5.886, 14.49) [0.115, 0.2898, 0.7135]\n", + " PeriodicSite: Li (5.402, 13.4, 8.231) [0.2659, 0.6598, 0.4052]\n", + " PeriodicSite: Li (13.98, 13.56, 9.591) [0.6881, 0.6677, 0.4722]\n", + " PeriodicSite: Li (14.3, 11.73, 6.643) [0.7038, 0.5773, 0.327]\n", + " PeriodicSite: Li (5.311, 8.393, 16.09) [0.2614, 0.4132, 0.7922]\n", + " PeriodicSite: Li (7.445, 14.65, 10.26) [0.3665, 0.7214, 0.5051]\n", + " PeriodicSite: Li (2.29, 18.28, 0.07656) [0.1127, 0.9002, 0.003771]\n", + " PeriodicSite: Li (16.79, 9.972, 6.958) [0.8265, 0.4909, 0.3426]\n", + " PeriodicSite: Li (3.072, 5.064, 18.28) [0.1512, 0.2493, 0.8998]\n", + " PeriodicSite: Li (17.06, 0.8268, 4.392) [0.8399, 0.0407, 0.2162]\n", + " PeriodicSite: Li (18.81, 19.45, 18.42) [0.9259, 0.9574, 0.9067]\n", + " PeriodicSite: Li (6.639, 10.86, 7.098) [0.3268, 0.5346, 0.3494]\n", + " PeriodicSite: Li (7.486, 5.81, 18.6) [0.3686, 0.286, 0.9157]\n", + " PeriodicSite: Li (8.682, 20.05, 8.065) [0.4274, 0.9872, 0.3971]\n", + " PeriodicSite: Li (7.96, 15.58, 16.34) [0.3919, 0.767, 0.8043]\n", + " PeriodicSite: Li (18.01, 9.556, 9.648) [0.8866, 0.4705, 0.475]\n", + " PeriodicSite: Li (16.39, 7.322, 19.57) [0.8071, 0.3605, 0.9635]\n", + " PeriodicSite: Li (17.79, 19.91, 7.646) [0.8758, 0.98, 0.3764]\n", + " PeriodicSite: Li (19.1, 17.15, 15.5) [0.9402, 0.8445, 0.7633]\n", + " PeriodicSite: Li (6.215, 7.327, 9.332) [0.306, 0.3607, 0.4594]\n", + " PeriodicSite: Li (5.13, 2.28, 17.84) [0.2526, 0.1122, 0.8785]\n", + " PeriodicSite: Li (8.792, 17.7, 9.76) [0.4328, 0.8712, 0.4805]\n", + " PeriodicSite: Li (16.97, 11.44, 16.02) [0.8354, 0.5631, 0.7885]\n", + " PeriodicSite: Li (20.19, 8.418, 7.85) [0.9941, 0.4144, 0.3865]\n", + " PeriodicSite: Li (17.24, 4.797, 18.2) [0.8486, 0.2362, 0.896]\n", + " PeriodicSite: Li (17.01, 17.1, 10.35) [0.8376, 0.8416, 0.5096]\n", + " PeriodicSite: Li (16.97, 14.98, 18.65) [0.8353, 0.7375, 0.918]\n", + " PeriodicSite: Li (10.01, 8.128, 8.555) [0.4928, 0.4002, 0.4212]\n", + " PeriodicSite: Li (5.848, 6.051, 1.973) [0.2879, 0.2979, 0.09713]\n", + " PeriodicSite: Li (5.836, 17.42, 8.755) [0.2873, 0.8574, 0.431]\n", + " PeriodicSite: Li (7.384, 15.64, 1.909) [0.3635, 0.7699, 0.09397]\n", + " PeriodicSite: Li (15.37, 7.159, 8.525) [0.7569, 0.3524, 0.4197]\n", + " PeriodicSite: Li (20.1, 6.913, 17.14) [0.9897, 0.3403, 0.8439]\n", + " PeriodicSite: Li (16.39, 18.27, 5.498) [0.8068, 0.8995, 0.2707]\n", + " PeriodicSite: Li (15.43, 18.35, 17.22) [0.7596, 0.9032, 0.8479]\n", + " PeriodicSite: Li (7.001, 5.06, 11.88) [0.3447, 0.2491, 0.5847]\n", + " PeriodicSite: Li (5.908, 7.491, 19.48) [0.2909, 0.3688, 0.959]\n", + " PeriodicSite: Li (9.512, 17.99, 6.048) [0.4683, 0.8857, 0.2977]\n", + " PeriodicSite: Li (11.23, 19.43, 2.634) [0.5531, 0.9563, 0.1297]\n", + " PeriodicSite: Li (16.88, 7.94, 5.317) [0.8308, 0.3909, 0.2618]\n", + " PeriodicSite: Li (13.82, 6.576, 20.23) [0.6802, 0.3238, 0.9959]\n", + " PeriodicSite: Li (19.29, 18.17, 9.452) [0.9495, 0.8943, 0.4654]\n", + " PeriodicSite: Li (17.83, 0.4946, 1.892) [0.8779, 0.02434, 0.09313]\n", + " PeriodicSite: Li (3.378, 10.18, 3.24) [0.1663, 0.501, 0.1595]\n", + " PeriodicSite: Li (9.858, 7.952, 18.69) [0.4853, 0.3915, 0.9202]\n", + " PeriodicSite: Li (7.993, 15.76, 6.363) [0.3935, 0.7757, 0.3133]\n", + " PeriodicSite: Li (6.207, 19.85, 17.75) [0.3056, 0.977, 0.8738]\n", + " PeriodicSite: Li (18.56, 5.545, 7.159) [0.9139, 0.273, 0.3525]\n", + " PeriodicSite: Li (17.99, 10.5, 0.7183) [0.8859, 0.5168, 0.03537]\n", + " PeriodicSite: Li (2.876, 15.57, 0.9401) [0.1416, 0.7667, 0.04628]\n", + " PeriodicSite: Li (16.85, 1.928, 15.07) [0.8295, 0.09491, 0.7421]\n", + " PeriodicSite: Cl (7.439, 12.34, 12.69) [0.3662, 0.6077, 0.6249]\n", + " PeriodicSite: Cl (2.762, 12.77, 17.47) [0.136, 0.6288, 0.8602]\n", + " PeriodicSite: Cl (12.8, 17.57, 12.91) [0.63, 0.8648, 0.6356]\n", + " PeriodicSite: Cl (17.39, 7.121, 17.57) [0.856, 0.3506, 0.865]\n", + " PeriodicSite: Cl (7.384, 2.242, 2.422) [0.3635, 0.1103, 0.1192]\n", + " PeriodicSite: Cl (7.904, 7.752, 7.464) [0.3891, 0.3816, 0.3675]\n", + " PeriodicSite: Cl (12.28, 12.42, 7.657) [0.6045, 0.6113, 0.3769]\n", + " PeriodicSite: Cl (2.524, 7.905, 2.669) [0.1243, 0.3892, 0.1314]\n", + " PeriodicSite: Cl (2.731, 7.492, 12.28) [0.1344, 0.3688, 0.6047]\n", + " PeriodicSite: Cl (12.42, 12.87, 17.53) [0.6113, 0.6337, 0.8628]\n", + " PeriodicSite: Cl (17.47, 17.92, 17.82) [0.86, 0.882, 0.8774]\n", + " PeriodicSite: Cl (2.396, 2.193, 7.748) [0.1179, 0.108, 0.3815]\n", + " PeriodicSite: Cl (12.61, 2.686, 18.14) [0.6206, 0.1322, 0.8933]\n", + " PeriodicSite: Cl (13.12, 7.158, 2.061) [0.646, 0.3524, 0.1015]\n", + " PeriodicSite: Cl (17.63, 2.282, 12.79) [0.8681, 0.1124, 0.6298]\n", + " PeriodicSite: Cl (7.3, 17.97, 17.49) [0.3594, 0.8848, 0.8613]\n", + " PeriodicSite: Cl (0.3878, 19.7, 20.02) [0.01909, 0.9698, 0.9856]\n", + " PeriodicSite: Cl (19.69, 0.1149, 10.07) [0.9693, 0.00565, 0.4957]\n", + " PeriodicSite: Cl (20.15, 10.58, 0.04664) [0.992, 0.521, 0.002303]\n", + " PeriodicSite: Cl (20.22, 9.951, 9.9) [0.9956, 0.4899, 0.4874]\n", + " PeriodicSite: Cl (10.43, 20.22, 0.2197) [0.5135, 0.9955, 0.01082]\n", + " PeriodicSite: Cl (10.04, 20.15, 10.0) [0.4944, 0.9919, 0.4925]\n", + " PeriodicSite: Cl (10.34, 9.928, 19.95) [0.509, 0.4887, 0.9824]\n", + " PeriodicSite: Cl (10.27, 10.14, 10.59) [0.5056, 0.4991, 0.5213]\n", + " PeriodicSite: Cl (19.84, 4.76, 5.229) [0.9766, 0.2343, 0.2574]\n", + " PeriodicSite: Cl (0.3513, 4.788, 15.4) [0.0173, 0.2357, 0.7584]\n", + " PeriodicSite: Cl (0.07601, 14.91, 5.478) [0.003737, 0.7342, 0.2697]\n", + " PeriodicSite: Cl (0.1372, 15.25, 15.15) [0.00675, 0.7509, 0.7459]\n", + " PeriodicSite: Cl (10.02, 5.315, 4.897) [0.4934, 0.2617, 0.2411]\n", + " PeriodicSite: Cl (10.25, 5.55, 14.94) [0.5046, 0.2732, 0.7357]\n", + " PeriodicSite: Cl (9.982, 15.6, 4.805) [0.4914, 0.7679, 0.2366]\n", + " PeriodicSite: Cl (10.61, 15.36, 15.25) [0.5223, 0.756, 0.7507]\n", + " PeriodicSite: S (4.647, 0.1006, 4.794) [0.2288, 0.00495, 0.236]\n", + " PeriodicSite: S (5.488, 0.06859, 15.39) [0.2702, 0.003375, 0.7575]\n", + " PeriodicSite: S (4.999, 10.47, 4.958) [0.2461, 0.5156, 0.2441]\n", + " PeriodicSite: S (4.746, 10.39, 15.35) [0.2336, 0.5113, 0.7558]\n", + " PeriodicSite: S (14.9, 0.02048, 5.006) [0.7338, 0.001002, 0.2465]\n", + " PeriodicSite: S (15.39, 0.142, 15.5) [0.7575, 0.006986, 0.7631]\n", + " PeriodicSite: S (15.3, 9.818, 5.146) [0.7532, 0.4834, 0.2534]\n", + " PeriodicSite: S (15.35, 9.932, 15.24) [0.7557, 0.4889, 0.7501]\n", + " PeriodicSite: S (5.022, 5.338, 20.22) [0.2473, 0.2628, 0.9954]\n", + " PeriodicSite: S (5.075, 4.982, 10.38) [0.2498, 0.2453, 0.5112]\n", + " PeriodicSite: S (5.178, 15.42, 0.4671) [0.2549, 0.7592, 0.023]\n", + " PeriodicSite: S (4.99, 15.27, 10.15) [0.2457, 0.7517, 0.4999]\n", + " PeriodicSite: S (15.26, 4.851, 20.08) [0.7513, 0.2388, 0.9887]\n", + " PeriodicSite: S (15.09, 5.2, 10.26) [0.743, 0.256, 0.5049]\n", + " PeriodicSite: S (15.42, 15.44, 0.3324) [0.759, 0.7603, 0.01637]\n", + " PeriodicSite: S (15.46, 15.05, 10.56) [0.7613, 0.7409, 0.5201]\n", + " PeriodicSite: S (8.741, 3.789, 8.623) [0.4303, 0.1865, 0.4245]\n", + " PeriodicSite: S (9.149, 4.013, 18.74) [0.4504, 0.1976, 0.9224]\n", + " PeriodicSite: S (9.422, 13.94, 9.035) [0.4639, 0.6861, 0.4448]\n", + " PeriodicSite: S (9.37, 14.32, 18.94) [0.4613, 0.705, 0.9325]\n", + " PeriodicSite: S (19.01, 3.8, 8.971) [0.9359, 0.1871, 0.4416]\n", + " PeriodicSite: S (19.12, 3.809, 19.18) [0.9413, 0.1875, 0.9444]\n", + " PeriodicSite: S (19.09, 14.0, 8.8) [0.94, 0.6894, 0.4333]\n", + " PeriodicSite: S (19.54, 13.88, 19.13) [0.962, 0.6835, 0.942]\n", + " PeriodicSite: S (3.932, 1.252, 1.017) [0.1936, 0.06161, 0.05007]\n", + " PeriodicSite: S (3.756, 1.022, 11.27) [0.1849, 0.05032, 0.5549]\n", + " PeriodicSite: S (3.669, 11.37, 1.333) [0.1806, 0.56, 0.06564]\n", + " PeriodicSite: S (3.719, 11.06, 11.14) [0.1831, 0.5445, 0.5482]\n", + " PeriodicSite: S (14.06, 1.048, 1.303) [0.6924, 0.0516, 0.06415]\n", + " PeriodicSite: S (14.09, 1.318, 11.58) [0.6939, 0.06487, 0.5703]\n", + " PeriodicSite: S (13.85, 11.26, 1.029) [0.6819, 0.5544, 0.05065]\n", + " PeriodicSite: S (13.95, 11.39, 11.56) [0.6867, 0.5609, 0.5689]\n", + " PeriodicSite: S (6.064, 1.236, 8.849) [0.2985, 0.06087, 0.4356]\n", + " PeriodicSite: S (6.526, 1.065, 19.29) [0.3213, 0.05241, 0.9497]\n", + " PeriodicSite: S (6.293, 11.63, 9.313) [0.3098, 0.5728, 0.4585]\n", + " PeriodicSite: S (6.07, 11.3, 19.21) [0.2988, 0.5564, 0.946]\n", + " PeriodicSite: S (16.07, 0.8425, 9.013) [0.791, 0.04147, 0.4437]\n", + " PeriodicSite: S (16.91, 1.039, 19.33) [0.8326, 0.05116, 0.9514]\n", + " PeriodicSite: S (15.89, 11.38, 8.981) [0.7825, 0.56, 0.4422]\n", + " PeriodicSite: S (16.34, 11.29, 18.99) [0.8044, 0.5559, 0.9347]\n", + " PeriodicSite: S (1.134, 4.327, 1.435) [0.05582, 0.213, 0.07067]\n", + " PeriodicSite: S (1.169, 3.947, 11.31) [0.05757, 0.1943, 0.5568]\n", + " PeriodicSite: S (1.062, 14.38, 1.672) [0.05229, 0.7082, 0.0823]\n", + " PeriodicSite: S (1.368, 14.17, 11.15) [0.06736, 0.6977, 0.5487]\n", + " PeriodicSite: S (11.17, 3.78, 1.131) [0.5497, 0.1861, 0.05568]\n", + " PeriodicSite: S (10.75, 4.194, 11.37) [0.5292, 0.2065, 0.5596]\n", + " PeriodicSite: S (11.63, 14.49, 1.033) [0.5724, 0.7134, 0.05086]\n", + " PeriodicSite: S (11.75, 13.75, 11.31) [0.5785, 0.6769, 0.5566]\n", + " PeriodicSite: S (2.587, 2.518, 17.84) [0.1274, 0.1239, 0.8783]\n", + " PeriodicSite: S (2.581, 12.83, 7.727) [0.1271, 0.6315, 0.3804]\n", + " PeriodicSite: S (12.65, 2.658, 7.747) [0.6229, 0.1308, 0.3814]\n", + " PeriodicSite: S (8.715, 9.206, 3.704) [0.429, 0.4532, 0.1823]\n", + " PeriodicSite: S (9.077, 8.968, 13.77) [0.4469, 0.4415, 0.6779]\n", + " PeriodicSite: S (9.059, 19.32, 3.925) [0.446, 0.9512, 0.1932]\n", + " PeriodicSite: S (9.316, 19.32, 14.06) [0.4586, 0.9509, 0.6924]\n", + " PeriodicSite: S (19.15, 8.55, 3.821) [0.9425, 0.4209, 0.1881]\n", + " PeriodicSite: S (19.09, 9.092, 13.66) [0.94, 0.4476, 0.6725]\n", + " PeriodicSite: S (18.85, 19.21, 3.718) [0.928, 0.946, 0.1831]\n", + " PeriodicSite: S (19.39, 19.05, 14.04) [0.9546, 0.9381, 0.6911]\n", + " PeriodicSite: S (3.717, 6.102, 6.75) [0.183, 0.3004, 0.3323]\n", + " PeriodicSite: S (3.852, 6.639, 16.24) [0.1896, 0.3268, 0.7996]\n", + " PeriodicSite: S (4.065, 16.53, 6.506) [0.2001, 0.8138, 0.3203]\n", + " PeriodicSite: S (4.125, 16.12, 16.73) [0.2031, 0.7938, 0.8235]\n", + " PeriodicSite: S (13.84, 6.525, 6.351) [0.6814, 0.3213, 0.3127]\n", + " PeriodicSite: S (14.03, 6.082, 16.39) [0.6905, 0.2994, 0.8069]\n", + " PeriodicSite: S (14.08, 16.09, 6.598) [0.6934, 0.7922, 0.3249]\n", + " PeriodicSite: S (14.5, 16.3, 16.76) [0.7141, 0.8027, 0.8253]\n", + " PeriodicSite: S (6.615, 6.042, 4.614) [0.3257, 0.2975, 0.2272]\n", + " PeriodicSite: S (6.477, 6.552, 14.23) [0.3189, 0.3226, 0.7004]\n", + " PeriodicSite: S (6.412, 16.68, 4.12) [0.3157, 0.821, 0.2029]\n", + " PeriodicSite: S (6.516, 16.36, 14.18) [0.3208, 0.8054, 0.698]\n", + " PeriodicSite: S (15.96, 6.094, 3.819) [0.7857, 0.3, 0.188]\n", + " PeriodicSite: S (16.51, 6.009, 13.85) [0.8127, 0.2958, 0.6819]\n", + " PeriodicSite: S (16.2, 16.19, 3.911) [0.7976, 0.7973, 0.1925]\n", + " PeriodicSite: S (16.84, 16.47, 14.27) [0.829, 0.8109, 0.7023]\n", + " PeriodicSite: S (1.234, 8.774, 6.147) [0.06073, 0.4319, 0.3026]\n", + " PeriodicSite: S (0.8481, 8.863, 16.36) [0.04175, 0.4363, 0.8057]\n", + " PeriodicSite: S (0.9783, 19.04, 6.091) [0.04816, 0.9374, 0.2998]\n", + " PeriodicSite: S (1.108, 18.84, 16.57) [0.05456, 0.9274, 0.8157]\n", + " PeriodicSite: S (11.06, 9.088, 6.086) [0.5444, 0.4474, 0.2996]\n", + " PeriodicSite: S (11.16, 9.022, 16.56) [0.5492, 0.4442, 0.8155]\n", + " PeriodicSite: S (11.04, 19.87, 6.687) [0.5436, 0.9781, 0.3292]\n", + " PeriodicSite: S (10.86, 20.13, 17.0) [0.5347, 0.991, 0.8367]\n", + " PeriodicSite: S (2.514, 18.07, 2.307) [0.1238, 0.8896, 0.1136]\n", + " PeriodicSite: S (2.819, 17.36, 12.82) [0.1388, 0.8545, 0.6311]\n", + " PeriodicSite: S (12.65, 7.486, 12.82) [0.6227, 0.3685, 0.631]\n", + " PeriodicSite: S (12.79, 17.73, 3.077) [0.6295, 0.873, 0.1515]\n", + " PeriodicSite: S (3.88, 4.712, 3.639) [0.191, 0.232, 0.1792]\n", + " PeriodicSite: S (3.957, 4.388, 13.92) [0.1948, 0.216, 0.6854]\n", + " PeriodicSite: S (3.694, 14.43, 3.899) [0.1819, 0.7103, 0.1919]\n", + " PeriodicSite: S (4.257, 13.89, 14.16) [0.2096, 0.6836, 0.6973]\n", + " PeriodicSite: S (13.52, 3.861, 4.139) [0.6658, 0.1901, 0.2038]\n", + " PeriodicSite: S (14.08, 3.744, 13.92) [0.6932, 0.1843, 0.6853]\n", + " PeriodicSite: S (13.8, 13.99, 4.194) [0.6795, 0.6887, 0.2065]\n", + " PeriodicSite: S (14.32, 14.37, 14.3) [0.7052, 0.7074, 0.7038]\n", + " PeriodicSite: S (8.446, 1.708, 6.056) [0.4158, 0.08408, 0.2982]\n", + " PeriodicSite: S (8.637, 1.841, 16.16) [0.4252, 0.09062, 0.7956]\n", + " PeriodicSite: S (8.837, 11.54, 5.838) [0.4351, 0.5683, 0.2874]\n", + " PeriodicSite: S (8.794, 11.43, 16.11) [0.433, 0.5625, 0.793]\n", + " PeriodicSite: S (18.91, 1.195, 6.141) [0.9307, 0.05883, 0.3023]\n", + " PeriodicSite: S (19.14, 0.8346, 16.54) [0.9423, 0.04108, 0.8141]\n", + " PeriodicSite: S (19.28, 11.15, 6.103) [0.9493, 0.5487, 0.3004]\n", + " PeriodicSite: S (19.34, 11.53, 16.38) [0.9521, 0.5675, 0.8065]\n", + " PeriodicSite: S (0.8505, 1.253, 3.728) [0.04187, 0.06171, 0.1836]\n", + " PeriodicSite: S (1.663, 0.9397, 14.37) [0.08185, 0.04626, 0.7075]\n", + " PeriodicSite: S (1.075, 11.15, 3.704) [0.0529, 0.549, 0.1823]\n", + " PeriodicSite: S (1.267, 11.12, 13.88) [0.06235, 0.5475, 0.6832]\n", + " PeriodicSite: S (11.13, 1.593, 3.829) [0.5479, 0.07844, 0.1885]\n", + " PeriodicSite: S (11.24, 1.515, 14.25) [0.5535, 0.07458, 0.7013]\n", + " PeriodicSite: S (11.59, 11.33, 3.928) [0.5707, 0.5578, 0.1934]\n", + " PeriodicSite: S (11.5, 11.34, 14.3) [0.5661, 0.5583, 0.7039]\n", + " PeriodicSite: S (5.653, 3.428, 6.194) [0.2783, 0.1687, 0.305]\n", + " PeriodicSite: S (6.286, 4.114, 16.47) [0.3095, 0.2025, 0.8106]\n", + " PeriodicSite: S (6.255, 14.06, 6.007) [0.3079, 0.6923, 0.2957]\n", + " PeriodicSite: S (6.391, 13.92, 16.92) [0.3146, 0.6855, 0.8328]\n", + " PeriodicSite: S (16.25, 4.154, 6.508) [0.8001, 0.2045, 0.3204]\n", + " PeriodicSite: S (16.35, 3.716, 16.33) [0.805, 0.1829, 0.804]\n", + " PeriodicSite: S (16.39, 13.58, 6.292) [0.807, 0.6688, 0.3098]\n", + " PeriodicSite: S (16.86, 13.9, 16.45) [0.8298, 0.6844, 0.8096]\n", + " PeriodicSite: S (7.472, 2.604, 12.65) [0.3678, 0.1282, 0.6229]\n", + " PeriodicSite: S (7.409, 12.59, 1.89) [0.3647, 0.6198, 0.09306]\n", + " PeriodicSite: S (17.62, 2.596, 2.61) [0.8676, 0.1278, 0.1285]\n", + " PeriodicSite: S (17.74, 12.34, 2.377) [0.8732, 0.6078, 0.1171]\n", + " PeriodicSite: S (17.81, 12.83, 12.75) [0.8767, 0.6314, 0.6277]\n", + " PeriodicSite: S (4.386, 8.852, 8.77) [0.2159, 0.4358, 0.4318]\n", + " PeriodicSite: S (3.553, 9.103, 19.29) [0.1749, 0.4482, 0.9494]\n", + " PeriodicSite: S (4.247, 19.04, 8.679) [0.2091, 0.9375, 0.4273]\n", + " PeriodicSite: S (4.259, 19.14, 18.9) [0.2097, 0.9421, 0.9307]\n", + " PeriodicSite: S (13.66, 9.081, 8.949) [0.6723, 0.4471, 0.4406]\n", + " PeriodicSite: S (14.09, 8.799, 18.92) [0.6939, 0.4332, 0.9317]\n", + " PeriodicSite: S (13.6, 19.12, 9.419) [0.6695, 0.9412, 0.4637]\n", + " PeriodicSite: S (14.21, 19.36, 19.15) [0.6997, 0.9533, 0.9426]\n", + " PeriodicSite: S (9.072, 6.244, 0.9418) [0.4466, 0.3074, 0.04637]\n", + " PeriodicSite: S (8.604, 6.577, 10.84) [0.4236, 0.3238, 0.5338]\n", + " PeriodicSite: S (9.247, 16.9, 0.871) [0.4552, 0.832, 0.04288]\n", + " PeriodicSite: S (9.086, 15.82, 11.65) [0.4473, 0.7788, 0.5734]\n", + " PeriodicSite: S (19.06, 6.605, 0.7042) [0.9383, 0.3251, 0.03467]\n", + " PeriodicSite: S (18.93, 5.984, 11.6) [0.9321, 0.2946, 0.5711]\n", + " PeriodicSite: S (19.08, 16.47, 1.144) [0.9395, 0.811, 0.05634]\n", + " PeriodicSite: S (19.13, 16.46, 11.18) [0.9418, 0.8101, 0.5503]\n", + " PeriodicSite: S (0.9608, 6.137, 8.959) [0.0473, 0.3022, 0.4411]\n", + " PeriodicSite: S (1.245, 6.244, 19.09) [0.06131, 0.3074, 0.9397]\n", + " PeriodicSite: S (1.181, 16.52, 8.715) [0.05813, 0.8131, 0.4291]\n", + " PeriodicSite: S (1.559, 16.24, 19.09) [0.07676, 0.7995, 0.94]\n", + " PeriodicSite: S (11.14, 6.139, 8.618) [0.5486, 0.3022, 0.4243]\n", + " PeriodicSite: S (11.39, 6.368, 19.04) [0.5607, 0.3135, 0.9372]\n", + " PeriodicSite: S (11.35, 16.56, 9.397) [0.5589, 0.8153, 0.4626]\n", + " PeriodicSite: S (11.59, 16.71, 18.89) [0.5707, 0.8227, 0.9298]\n", + " PeriodicSite: S (6.156, 8.943, 1.216) [0.3031, 0.4403, 0.05985]\n", + " PeriodicSite: S (6.352, 8.927, 11.21) [0.3127, 0.4395, 0.5521]\n", + " PeriodicSite: S (6.341, 19.06, 1.276) [0.3122, 0.9382, 0.06283]\n", + " PeriodicSite: S (6.401, 19.16, 11.26) [0.3151, 0.9433, 0.5545]\n", + " PeriodicSite: S (16.29, 8.805, 1.066) [0.8019, 0.4335, 0.05248]\n", + " PeriodicSite: S (16.24, 8.962, 11.32) [0.7997, 0.4412, 0.5572]\n", + " PeriodicSite: S (16.35, 18.97, 1.336) [0.8048, 0.9338, 0.06576]\n", + " PeriodicSite: S (16.28, 19.1, 11.71) [0.8016, 0.9401, 0.5763]\n", + " PeriodicSite: S (7.433, 7.934, 17.65) [0.3659, 0.3906, 0.8687]\n", + " PeriodicSite: S (7.909, 17.84, 7.793) [0.3893, 0.8784, 0.3836]\n", + " PeriodicSite: S (17.78, 7.991, 7.791) [0.8755, 0.3934, 0.3836]\n", + " PeriodicSite: S (17.37, 17.65, 7.796) [0.8549, 0.869, 0.3838]\n", + " PeriodicSite: P (5.106, 20.31, 0.03541) [0.2514, 0.9998, 0.001746]\n", + " PeriodicSite: P (5.149, 20.24, 10.01) [0.2535, 0.9965, 0.4927]\n", + " PeriodicSite: P (4.781, 10.2, 0.1009) [0.2354, 0.5022, 0.004971]\n", + " PeriodicSite: P (5.162, 10.11, 10.13) [0.2541, 0.4976, 0.4989]\n", + " PeriodicSite: P (15.4, 0.01928, 0.006735) [0.7582, 0.0009421, 0.0003358]\n", + " PeriodicSite: P (15.07, 20.25, 10.43) [0.7419, 0.9969, 0.5136]\n", + " PeriodicSite: P (15.08, 10.15, 20.08) [0.7422, 0.4996, 0.9885]\n", + " PeriodicSite: P (14.88, 10.09, 10.27) [0.7327, 0.4967, 0.5055]\n", + " PeriodicSite: P (4.872, 5.155, 5.401) [0.2399, 0.2538, 0.2659]\n", + " PeriodicSite: P (5.255, 5.31, 15.31) [0.2587, 0.2614, 0.7535]\n", + " PeriodicSite: P (4.988, 15.42, 5.1) [0.2455, 0.7593, 0.2511]\n", + " PeriodicSite: P (5.399, 15.15, 15.44) [0.2658, 0.7459, 0.7599]\n", + " PeriodicSite: P (14.85, 5.173, 5.302) [0.7311, 0.2546, 0.261]\n", + " PeriodicSite: P (15.29, 4.967, 15.16) [0.7526, 0.2445, 0.7462]\n", + " PeriodicSite: P (15.21, 14.99, 5.258) [0.749, 0.7379, 0.2589]\n", + " PeriodicSite: P (15.72, 15.23, 15.43) [0.7737, 0.75, 0.7596]\n", + " PeriodicSite: P (20.1, 0.01701, 4.948) [0.9896, 0.0008288, 0.2436]\n", + " PeriodicSite: P (0.1414, 20.1, 15.29) [0.006955, 0.9896, 0.7525]\n", + " PeriodicSite: P (0.05474, 9.937, 4.948) [0.002692, 0.4892, 0.2436]\n", + " PeriodicSite: P (20.26, 10.14, 15.05) [0.9974, 0.4991, 0.7411]\n", + " PeriodicSite: P (9.848, 0.4331, 5.11) [0.4848, 0.02132, 0.2516]\n", + " PeriodicSite: P (9.95, 0.3912, 15.37) [0.4899, 0.01925, 0.7569]\n", + " PeriodicSite: P (10.04, 10.25, 4.847) [0.4945, 0.5044, 0.2386]\n", + " PeriodicSite: P (10.1, 10.07, 15.2) [0.4971, 0.4957, 0.7482]\n", + " PeriodicSite: P (0.01662, 5.179, 20.3) [0.0008215, 0.255, 0.9995]\n", + " PeriodicSite: P (20.19, 4.978, 10.11) [0.9941, 0.245, 0.4975]\n", + " PeriodicSite: P (0.1386, 15.34, 0.03064) [0.006817, 0.7552, 0.00151]\n", + " PeriodicSite: P (0.05172, 15.2, 9.953) [0.002542, 0.7485, 0.49]\n", + " PeriodicSite: P (10.25, 5.037, 20.13) [0.5047, 0.248, 0.991]\n", + " PeriodicSite: P (9.718, 5.195, 9.776) [0.4784, 0.2558, 0.4813]\n", + " PeriodicSite: P (10.47, 15.59, 20.08) [0.5154, 0.7673, 0.9884]\n", + " PeriodicSite: P (10.46, 15.03, 10.38) [0.5149, 0.7402, 0.5108],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.042, 6.786, 4.459) [0.05128, 0.3341, 0.2195]\n", + " PeriodicSite: Li (2.101, 3.297, 15.55) [0.1035, 0.1623, 0.7655]\n", + " PeriodicSite: Li (0.219, 12.73, 7.063) [0.01078, 0.6267, 0.3477]\n", + " PeriodicSite: Li (0.1757, 13.75, 17.42) [0.008649, 0.6769, 0.8577]\n", + " PeriodicSite: Li (14.47, 0.5237, 7.491) [0.7126, 0.02578, 0.3688]\n", + " PeriodicSite: Li (11.93, 4.157, 16.24) [0.5871, 0.2047, 0.7997]\n", + " PeriodicSite: Li (14.69, 11.65, 3.696) [0.7231, 0.5736, 0.182]\n", + " PeriodicSite: Li (17.06, 8.293, 15.31) [0.8399, 0.4082, 0.7539]\n", + " PeriodicSite: Li (4.187, 4.46, 8.323) [0.2061, 0.2196, 0.4097]\n", + " PeriodicSite: Li (1.706, 1.919, 0.2562) [0.084, 0.09447, 0.01261]\n", + " PeriodicSite: Li (3.674, 8.179, 4.991) [0.1809, 0.4026, 0.2457]\n", + " PeriodicSite: Li (7.019, 9.853, 17.01) [0.3456, 0.4851, 0.8376]\n", + " PeriodicSite: Li (11.9, 4.852, 6.815) [0.5858, 0.2389, 0.3355]\n", + " PeriodicSite: Li (12.67, 1.548, 19.88) [0.6237, 0.07621, 0.9788]\n", + " PeriodicSite: Li (11.09, 9.53, 12.46) [0.546, 0.4692, 0.6134]\n", + " PeriodicSite: Li (9.809, 18.69, 18.59) [0.4829, 0.9204, 0.9154]\n", + " PeriodicSite: Li (4.554, 1.409, 7.354) [0.2242, 0.06936, 0.3621]\n", + " PeriodicSite: Li (3.51, 0.188, 13.4) [0.1728, 0.009257, 0.6596]\n", + " PeriodicSite: Li (3.412, 10.33, 7.223) [0.168, 0.5086, 0.3556]\n", + " PeriodicSite: Li (6.879, 9.9, 13.43) [0.3387, 0.4874, 0.6611]\n", + " PeriodicSite: Li (12.65, 1.151, 9.764) [0.6225, 0.05665, 0.4807]\n", + " PeriodicSite: Li (9.886, 1.531, 18.05) [0.4867, 0.07535, 0.8884]\n", + " PeriodicSite: Li (13.64, 16.23, 8.71) [0.6713, 0.799, 0.4288]\n", + " PeriodicSite: Li (12.16, 10.8, 18.95) [0.5985, 0.5315, 0.9328]\n", + " PeriodicSite: Li (0.1524, 3.227, 6.948) [0.007502, 0.1588, 0.3421]\n", + " PeriodicSite: Li (0.119, 3.047, 17.48) [0.005864, 0.15, 0.8606]\n", + " PeriodicSite: Li (2.408, 14.75, 6.305) [0.1185, 0.7261, 0.3104]\n", + " PeriodicSite: Li (4.545, 14.65, 18.15) [0.2237, 0.7211, 0.8936]\n", + " PeriodicSite: Li (13.6, 2.169, 5.747) [0.6693, 0.1068, 0.283]\n", + " PeriodicSite: Li (14.75, 1.488, 17.28) [0.7261, 0.07323, 0.8507]\n", + " PeriodicSite: Li (11.08, 11.92, 9.757) [0.5454, 0.587, 0.4804]\n", + " PeriodicSite: Li (16.8, 17.24, 19.54) [0.8272, 0.8486, 0.9619]\n", + " PeriodicSite: Li (6.933, 0.4664, 4.26) [0.3413, 0.02296, 0.2097]\n", + " PeriodicSite: Li (0.4646, 18.72, 1.86) [0.02287, 0.9214, 0.09156]\n", + " PeriodicSite: Li (3.032, 14.82, 9.828) [0.1493, 0.7297, 0.4838]\n", + " PeriodicSite: Li (1.817, 16.67, 15.12) [0.08943, 0.8206, 0.7441]\n", + " PeriodicSite: Li (15.37, 3.405, 8.822) [0.7568, 0.1676, 0.4343]\n", + " PeriodicSite: Li (13.88, 4.515, 18.44) [0.6834, 0.2223, 0.9076]\n", + " PeriodicSite: Li (16.91, 15.25, 7.957) [0.8326, 0.7508, 0.3917]\n", + " PeriodicSite: Li (10.15, 13.85, 17.36) [0.4999, 0.682, 0.8548]\n", + " PeriodicSite: Li (4.555, 2.361, 4.091) [0.2242, 0.1162, 0.2014]\n", + " PeriodicSite: Li (2.479, 0.4018, 17.51) [0.1221, 0.01978, 0.862]\n", + " PeriodicSite: Li (3.843, 12.3, 5.281) [0.1892, 0.6056, 0.26]\n", + " PeriodicSite: Li (18.97, 13.05, 4.159) [0.9338, 0.6426, 0.2048]\n", + " PeriodicSite: Li (10.7, 2.153, 8.012) [0.5268, 0.106, 0.3944]\n", + " PeriodicSite: Li (17.26, 19.55, 15.44) [0.8499, 0.9625, 0.7602]\n", + " PeriodicSite: Li (13.35, 9.002, 5.856) [0.6573, 0.4432, 0.2883]\n", + " PeriodicSite: Li (15.25, 8.179, 16.89) [0.751, 0.4027, 0.8313]\n", + " PeriodicSite: Li (3.38, 11.99, 15.17) [0.1664, 0.59, 0.7468]\n", + " PeriodicSite: Li (2.066, 11.37, 9.572) [0.1017, 0.56, 0.4712]\n", + " PeriodicSite: Li (1.16, 15.77, 3.086) [0.05708, 0.7764, 0.1519]\n", + " PeriodicSite: Li (1.349, 1.17, 9.781) [0.06642, 0.0576, 0.4815]\n", + " PeriodicSite: Li (11.61, 4.983, 3.158) [0.5716, 0.2453, 0.1555]\n", + " PeriodicSite: Li (12.2, 6.988, 14.9) [0.6007, 0.344, 0.7333]\n", + " PeriodicSite: Li (11.41, 12.53, 5.678) [0.5619, 0.617, 0.2796]\n", + " PeriodicSite: Li (13.76, 1.041, 13.9) [0.6775, 0.05126, 0.6843]\n", + " PeriodicSite: Li (3.122, 7.144, 0.5212) [0.1537, 0.3517, 0.02566]\n", + " PeriodicSite: Li (2.737, 5.217, 10.93) [0.1347, 0.2568, 0.5379]\n", + " PeriodicSite: Li (6.852, 17.22, 20.02) [0.3373, 0.8478, 0.9856]\n", + " PeriodicSite: Li (3.885, 18.44, 14.91) [0.1913, 0.9077, 0.7338]\n", + " PeriodicSite: Li (13.95, 5.106, 1.777) [0.6868, 0.2514, 0.0875]\n", + " PeriodicSite: Li (10.61, 5.839, 12.55) [0.5222, 0.2875, 0.618]\n", + " PeriodicSite: Li (12.58, 16.23, 4.868) [0.6192, 0.7992, 0.2397]\n", + " PeriodicSite: Li (10.44, 17.46, 13.93) [0.5142, 0.8596, 0.6856]\n", + " PeriodicSite: Li (4.255, 10.6, 17.4) [0.2095, 0.5218, 0.8565]\n", + " PeriodicSite: Li (4.766, 6.591, 12.24) [0.2346, 0.3245, 0.6024]\n", + " PeriodicSite: Li (4.754, 16.75, 2.214) [0.234, 0.8244, 0.109]\n", + " PeriodicSite: Li (2.915, 17.7, 10.78) [0.1435, 0.8713, 0.5308]\n", + " PeriodicSite: Li (11.03, 7.606, 0.8016) [0.5429, 0.3744, 0.03947]\n", + " PeriodicSite: Li (14.15, 5.724, 12.72) [0.6965, 0.2818, 0.6264]\n", + " PeriodicSite: Li (10.8, 16.12, 2.899) [0.5316, 0.7938, 0.1427]\n", + " PeriodicSite: Li (13.67, 15.68, 11.84) [0.6729, 0.7718, 0.583]\n", + " PeriodicSite: Li (20.22, 8.496, 1.684) [0.9955, 0.4183, 0.08289]\n", + " PeriodicSite: Li (16.87, 6.616, 10.15) [0.8304, 0.3257, 0.4997]\n", + " PeriodicSite: Li (3.124, 18.24, 4.889) [0.1538, 0.8981, 0.2407]\n", + " PeriodicSite: Li (0.4134, 18.04, 12.46) [0.02035, 0.8882, 0.6137]\n", + " PeriodicSite: Li (9.081, 7.073, 5.31) [0.447, 0.3482, 0.2614]\n", + " PeriodicSite: Li (13.3, 10.6, 15.65) [0.655, 0.522, 0.7703]\n", + " PeriodicSite: Li (14.46, 15.91, 2.214) [0.712, 0.7831, 0.109]\n", + " PeriodicSite: Li (12.74, 14.98, 15.73) [0.627, 0.7373, 0.7745]\n", + " PeriodicSite: Li (6.794, 8.619, 5.009) [0.3345, 0.4243, 0.2466]\n", + " PeriodicSite: Li (19.73, 12.26, 12.45) [0.9711, 0.6035, 0.6128]\n", + " PeriodicSite: Li (19.89, 17.1, 6.494) [0.979, 0.8419, 0.3197]\n", + " PeriodicSite: Li (7.138, 18.57, 15.55) [0.3514, 0.9144, 0.7656]\n", + " PeriodicSite: Li (17.45, 10.99, 3.76) [0.8593, 0.5413, 0.1851]\n", + " PeriodicSite: Li (13.53, 7.227, 10.51) [0.6661, 0.3558, 0.5173]\n", + " PeriodicSite: Li (12.83, 17.86, 0.1998) [0.6318, 0.879, 0.009843]\n", + " PeriodicSite: Li (12.05, 18.48, 10.86) [0.5933, 0.9097, 0.5345]\n", + " PeriodicSite: Li (3.45, 3.553, 20.2) [0.1698, 0.1749, 0.9944]\n", + " PeriodicSite: Li (3.239, 9.499, 13.42) [0.1595, 0.4676, 0.6605]\n", + " PeriodicSite: Li (3.442, 19.86, 2.556) [0.1695, 0.9778, 0.1258]\n", + " PeriodicSite: Li (2.5, 15.26, 12.81) [0.1231, 0.7512, 0.6307]\n", + " PeriodicSite: Li (14.75, 8.487, 3.136) [0.726, 0.4178, 0.1544]\n", + " PeriodicSite: Li (14.46, 8.786, 13.29) [0.712, 0.4325, 0.6541]\n", + " PeriodicSite: Li (12.63, 19.77, 4.539) [0.6218, 0.9731, 0.2234]\n", + " PeriodicSite: Li (19.44, 4.04, 12.95) [0.957, 0.1989, 0.6374]\n", + " PeriodicSite: Li (9.779, 2.671, 1.921) [0.4815, 0.1315, 0.09456]\n", + " PeriodicSite: Li (9.392, 1.085, 11.97) [0.4624, 0.05342, 0.5892]\n", + " PeriodicSite: Li (6.004, 10.96, 2.781) [0.2956, 0.5398, 0.1369]\n", + " PeriodicSite: Li (6.525, 12.29, 14.83) [0.3212, 0.6048, 0.7303]\n", + " PeriodicSite: Li (17.81, 3.604, 4.95) [0.8768, 0.1774, 0.2437]\n", + " PeriodicSite: Li (12.64, 4.543, 9.82) [0.6222, 0.2236, 0.4835]\n", + " PeriodicSite: Li (20.27, 12.41, 1.27) [0.9977, 0.6111, 0.06252]\n", + " PeriodicSite: Li (17.27, 10.11, 13.19) [0.8502, 0.4976, 0.6496]\n", + " PeriodicSite: Li (5.754, 18.12, 5.901) [0.2833, 0.892, 0.2905]\n", + " PeriodicSite: Li (9.451, 3.262, 13.76) [0.4653, 0.1606, 0.6774]\n", + " PeriodicSite: Li (6.884, 13.4, 0.06958) [0.3389, 0.6595, 0.003428]\n", + " PeriodicSite: Li (9.953, 12.69, 12.86) [0.49, 0.6249, 0.6333]\n", + " PeriodicSite: Li (14.75, 18.96, 3.234) [0.726, 0.9336, 0.1592]\n", + " PeriodicSite: Li (18.4, 1.007, 10.99) [0.9059, 0.04954, 0.5411]\n", + " PeriodicSite: Li (17.43, 14.81, 1.457) [0.8579, 0.7291, 0.07172]\n", + " PeriodicSite: Li (16.65, 14.85, 12.69) [0.8197, 0.731, 0.6245]\n", + " PeriodicSite: Li (8.138, 3.903, 6.004) [0.4006, 0.1921, 0.2956]\n", + " PeriodicSite: Li (6.826, 0.03614, 13.35) [0.3361, 0.001777, 0.6573]\n", + " PeriodicSite: Li (9.877, 12.4, 2.034) [0.4862, 0.6106, 0.1002]\n", + " PeriodicSite: Li (5.047, 13.04, 11.84) [0.2485, 0.6419, 0.5829]\n", + " PeriodicSite: Li (19.92, 3.418, 2.874) [0.9807, 0.1683, 0.1415]\n", + " PeriodicSite: Li (0.8266, 7.749, 10.82) [0.0407, 0.3815, 0.5328]\n", + " PeriodicSite: Li (15.55, 12.89, 1.114) [0.7656, 0.6344, 0.05486]\n", + " PeriodicSite: Li (15.34, 12.05, 13.27) [0.7551, 0.5931, 0.6534]\n", + " PeriodicSite: Li (2.543, 0.2081, 6.13) [0.1252, 0.01025, 0.3018]\n", + " PeriodicSite: Li (6.314, 2.249, 14.71) [0.3108, 0.1107, 0.7244]\n", + " PeriodicSite: Li (5.288, 13.62, 1.855) [0.2603, 0.6707, 0.09132]\n", + " PeriodicSite: Li (8.794, 7.318, 15.6) [0.4329, 0.3603, 0.7682]\n", + " PeriodicSite: Li (17.16, 4.94, 2.231) [0.8446, 0.2432, 0.1098]\n", + " PeriodicSite: Li (14.55, 18.22, 14.25) [0.7161, 0.8971, 0.7018]\n", + " PeriodicSite: Li (13.25, 13.88, 19.6) [0.6525, 0.6834, 0.965]\n", + " PeriodicSite: Li (16.92, 13.26, 10.19) [0.8331, 0.6529, 0.5016]\n", + " PeriodicSite: Li (6.523, 3.388, 0.6777) [0.3211, 0.1668, 0.03336]\n", + " PeriodicSite: Li (5.08, 2.864, 11.75) [0.2501, 0.141, 0.5786]\n", + " PeriodicSite: Li (7.767, 10.14, 0.2594) [0.3824, 0.4994, 0.01277]\n", + " PeriodicSite: Li (8.006, 10.93, 10.73) [0.3942, 0.5381, 0.5283]\n", + " PeriodicSite: Li (15.43, 1.927, 3.404) [0.7598, 0.09488, 0.1676]\n", + " PeriodicSite: Li (15.73, 3.539, 11.69) [0.7746, 0.1742, 0.5755]\n", + " PeriodicSite: Li (1.568, 10.34, 18.58) [0.07721, 0.5092, 0.9145]\n", + " PeriodicSite: Li (18.1, 13.25, 14.69) [0.891, 0.6524, 0.7231]\n", + " PeriodicSite: Li (8.224, 0.1876, 1.33) [0.4049, 0.009232, 0.06547]\n", + " PeriodicSite: Li (6.845, 3.009, 9.99) [0.337, 0.1481, 0.4918]\n", + " PeriodicSite: Li (7.283, 12.44, 4.7) [0.3585, 0.6126, 0.2314]\n", + " PeriodicSite: Li (5.468, 16.84, 12.24) [0.2692, 0.8289, 0.6024]\n", + " PeriodicSite: Li (16.61, 2.794, 0.5852) [0.8177, 0.1376, 0.02881]\n", + " PeriodicSite: Li (1.7, 6.825, 14.95) [0.08369, 0.336, 0.7359]\n", + " PeriodicSite: Li (5.359, 13.31, 8.698) [0.2638, 0.6554, 0.4282]\n", + " PeriodicSite: Li (13.98, 13.49, 9.977) [0.6883, 0.6643, 0.4912]\n", + " PeriodicSite: Li (15.06, 12.1, 7.104) [0.7414, 0.5956, 0.3497]\n", + " PeriodicSite: Li (5.528, 7.89, 15.96) [0.2722, 0.3885, 0.7855]\n", + " PeriodicSite: Li (7.316, 14.45, 11.01) [0.3602, 0.7113, 0.5418]\n", + " PeriodicSite: Li (2.131, 18.34, 19.88) [0.1049, 0.903, 0.9788]\n", + " PeriodicSite: Li (17.01, 9.82, 7.077) [0.8373, 0.4834, 0.3484]\n", + " PeriodicSite: Li (3.349, 5.01, 18.38) [0.1649, 0.2467, 0.905]\n", + " PeriodicSite: Li (17.26, 0.4964, 4.677) [0.8497, 0.02443, 0.2303]\n", + " PeriodicSite: Li (18.95, 19.91, 18.25) [0.9327, 0.9801, 0.8984]\n", + " PeriodicSite: Li (7.163, 10.35, 6.898) [0.3526, 0.5097, 0.3396]\n", + " PeriodicSite: Li (6.965, 5.3, 18.54) [0.3429, 0.2609, 0.9125]\n", + " PeriodicSite: Li (8.193, 20.12, 7.542) [0.4033, 0.9904, 0.3713]\n", + " PeriodicSite: Li (8.333, 15.76, 16.87) [0.4103, 0.7759, 0.8304]\n", + " PeriodicSite: Li (18.12, 9.331, 9.657) [0.8922, 0.4594, 0.4754]\n", + " PeriodicSite: Li (17.14, 7.26, 20.29) [0.8437, 0.3574, 0.9991]\n", + " PeriodicSite: Li (17.73, 19.94, 7.55) [0.8728, 0.9816, 0.3717]\n", + " PeriodicSite: Li (19.41, 17.01, 16.15) [0.9556, 0.8374, 0.7953]\n", + " PeriodicSite: Li (6.351, 6.812, 8.974) [0.3127, 0.3353, 0.4418]\n", + " PeriodicSite: Li (4.601, 2.075, 16.95) [0.2265, 0.1022, 0.8342]\n", + " PeriodicSite: Li (8.669, 18.03, 9.588) [0.4268, 0.8877, 0.472]\n", + " PeriodicSite: Li (16.55, 11.21, 16.55) [0.8146, 0.552, 0.815]\n", + " PeriodicSite: Li (20.12, 8.658, 7.817) [0.9907, 0.4263, 0.3848]\n", + " PeriodicSite: Li (16.89, 4.8, 18.48) [0.8317, 0.2363, 0.9097]\n", + " PeriodicSite: Li (16.78, 17.65, 9.956) [0.826, 0.869, 0.4901]\n", + " PeriodicSite: Li (16.44, 14.4, 18.64) [0.8093, 0.7088, 0.9177]\n", + " PeriodicSite: Li (9.708, 8.824, 8.227) [0.478, 0.4344, 0.405]\n", + " PeriodicSite: Li (5.238, 5.939, 2.16) [0.2578, 0.2924, 0.1063]\n", + " PeriodicSite: Li (5.869, 17.29, 8.84) [0.2889, 0.851, 0.4352]\n", + " PeriodicSite: Li (7.627, 15.21, 2.103) [0.3755, 0.7486, 0.1035]\n", + " PeriodicSite: Li (15.19, 7.234, 7.932) [0.7479, 0.3561, 0.3905]\n", + " PeriodicSite: Li (20.05, 6.863, 16.9) [0.9869, 0.3378, 0.8321]\n", + " PeriodicSite: Li (16.09, 18.0, 5.995) [0.7923, 0.8861, 0.2951]\n", + " PeriodicSite: Li (15.15, 18.52, 17.39) [0.7459, 0.912, 0.8562]\n", + " PeriodicSite: Li (6.895, 4.943, 12.14) [0.3395, 0.2433, 0.5975]\n", + " PeriodicSite: Li (5.467, 7.415, 19.04) [0.2691, 0.365, 0.9373]\n", + " PeriodicSite: Li (9.459, 17.75, 5.781) [0.4657, 0.8737, 0.2846]\n", + " PeriodicSite: Li (10.31, 18.64, 1.822) [0.5077, 0.9176, 0.08968]\n", + " PeriodicSite: Li (17.43, 7.802, 5.378) [0.858, 0.3841, 0.2648]\n", + " PeriodicSite: Li (13.99, 7.217, 0.1412) [0.6888, 0.3553, 0.006954]\n", + " PeriodicSite: Li (19.93, 17.83, 9.287) [0.9814, 0.8775, 0.4572]\n", + " PeriodicSite: Li (18.29, 0.8063, 1.773) [0.9002, 0.03969, 0.08731]\n", + " PeriodicSite: Li (2.597, 10.19, 2.82) [0.1278, 0.5017, 0.1388]\n", + " PeriodicSite: Li (9.497, 8.544, 18.6) [0.4675, 0.4206, 0.9159]\n", + " PeriodicSite: Li (8.371, 15.34, 7.288) [0.4121, 0.7554, 0.3588]\n", + " PeriodicSite: Li (6.25, 20.04, 17.28) [0.3077, 0.9866, 0.8505]\n", + " PeriodicSite: Li (18.6, 5.611, 7.069) [0.9158, 0.2762, 0.348]\n", + " PeriodicSite: Li (17.94, 10.93, 1.084) [0.8831, 0.5379, 0.0534]\n", + " PeriodicSite: Li (3.061, 15.84, 0.7555) [0.1507, 0.7799, 0.0372]\n", + " PeriodicSite: Li (16.53, 1.809, 14.93) [0.8136, 0.08907, 0.7351]\n", + " PeriodicSite: Cl (7.396, 12.39, 12.69) [0.3641, 0.6099, 0.6247]\n", + " PeriodicSite: Cl (2.585, 12.3, 17.58) [0.1272, 0.6057, 0.8657]\n", + " PeriodicSite: Cl (12.68, 17.67, 12.83) [0.624, 0.8699, 0.6319]\n", + " PeriodicSite: Cl (17.58, 7.691, 17.42) [0.8657, 0.3786, 0.8576]\n", + " PeriodicSite: Cl (7.682, 2.193, 2.326) [0.3782, 0.108, 0.1145]\n", + " PeriodicSite: Cl (7.546, 8.409, 7.165) [0.3715, 0.414, 0.3527]\n", + " PeriodicSite: Cl (12.86, 12.27, 8.084) [0.6333, 0.604, 0.398]\n", + " PeriodicSite: Cl (2.187, 7.803, 2.749) [0.1077, 0.3842, 0.1353]\n", + " PeriodicSite: Cl (2.411, 7.329, 12.66) [0.1187, 0.3608, 0.6232]\n", + " PeriodicSite: Cl (12.77, 12.73, 17.62) [0.6284, 0.6266, 0.8676]\n", + " PeriodicSite: Cl (17.94, 18.11, 17.72) [0.883, 0.8916, 0.8722]\n", + " PeriodicSite: Cl (2.355, 2.113, 7.742) [0.1159, 0.104, 0.3812]\n", + " PeriodicSite: Cl (12.66, 2.53, 17.58) [0.6233, 0.1246, 0.8656]\n", + " PeriodicSite: Cl (12.67, 7.157, 2.447) [0.6236, 0.3524, 0.1204]\n", + " PeriodicSite: Cl (17.83, 2.462, 12.66) [0.8777, 0.1212, 0.6231]\n", + " PeriodicSite: Cl (7.817, 17.68, 17.96) [0.3848, 0.8706, 0.884]\n", + " PeriodicSite: Cl (0.5049, 20.05, 20.2) [0.02485, 0.987, 0.9945]\n", + " PeriodicSite: Cl (20.21, 19.83, 10.65) [0.995, 0.9763, 0.5241]\n", + " PeriodicSite: Cl (0.122, 10.23, 0.2409) [0.006, 0.5037, 0.01186]\n", + " PeriodicSite: Cl (0.211, 10.09, 9.905) [0.01039, 0.4968, 0.4877]\n", + " PeriodicSite: Cl (10.16, 20.3, 0.2682) [0.5003, 0.9996, 0.01321]\n", + " PeriodicSite: Cl (10.41, 20.15, 10.39) [0.5127, 0.9921, 0.5115]\n", + " PeriodicSite: Cl (9.995, 9.667, 0.3803) [0.4921, 0.4759, 0.01873]\n", + " PeriodicSite: Cl (10.13, 9.955, 10.47) [0.4986, 0.4901, 0.5152]\n", + " PeriodicSite: Cl (20.04, 4.896, 5.179) [0.9865, 0.241, 0.255]\n", + " PeriodicSite: Cl (0.1671, 4.632, 15.39) [0.008228, 0.228, 0.7575]\n", + " PeriodicSite: Cl (0.2628, 14.93, 5.069) [0.01293, 0.7349, 0.2495]\n", + " PeriodicSite: Cl (0.388, 15.1, 14.81) [0.0191, 0.7436, 0.7291]\n", + " PeriodicSite: Cl (10.26, 4.857, 4.871) [0.5053, 0.2391, 0.2398]\n", + " PeriodicSite: Cl (10.27, 5.281, 14.9) [0.5058, 0.26, 0.7337]\n", + " PeriodicSite: Cl (10.29, 15.5, 5.396) [0.5066, 0.7629, 0.2657]\n", + " PeriodicSite: Cl (10.44, 15.4, 15.57) [0.5138, 0.7583, 0.7667]\n", + " PeriodicSite: S (4.58, 0.1174, 5.094) [0.2255, 0.005776, 0.2508]\n", + " PeriodicSite: S (5.167, 0.1798, 15.13) [0.2544, 0.00885, 0.745]\n", + " PeriodicSite: S (4.913, 10.07, 4.947) [0.2419, 0.4955, 0.2436]\n", + " PeriodicSite: S (5.251, 10.26, 15.13) [0.2585, 0.505, 0.7448]\n", + " PeriodicSite: S (14.97, 0.1415, 5.217) [0.7369, 0.00696, 0.2568]\n", + " PeriodicSite: S (15.16, 0.03859, 15.44) [0.7466, 0.001894, 0.76]\n", + " PeriodicSite: S (15.53, 9.883, 5.064) [0.7646, 0.4866, 0.2493]\n", + " PeriodicSite: S (15.48, 9.99, 15.06) [0.7622, 0.4918, 0.7412]\n", + " PeriodicSite: S (4.947, 5.306, 20.22) [0.2436, 0.2612, 0.9953]\n", + " PeriodicSite: S (5.153, 4.801, 10.37) [0.2537, 0.2364, 0.5106]\n", + " PeriodicSite: S (5.461, 15.22, 0.1464) [0.2688, 0.7493, 0.00721]\n", + " PeriodicSite: S (5.135, 14.98, 10.48) [0.2528, 0.7376, 0.5158]\n", + " PeriodicSite: S (15.58, 5.437, 0.191) [0.7668, 0.2677, 0.00941]\n", + " PeriodicSite: S (14.86, 5.153, 10.31) [0.7315, 0.2537, 0.5073]\n", + " PeriodicSite: S (15.41, 15.32, 0.1064) [0.7585, 0.754, 0.005242]\n", + " PeriodicSite: S (15.31, 15.26, 10.05) [0.7535, 0.7515, 0.4949]\n", + " PeriodicSite: S (9.012, 3.739, 8.52) [0.4437, 0.1841, 0.4195]\n", + " PeriodicSite: S (9.239, 3.886, 18.91) [0.4548, 0.1913, 0.931]\n", + " PeriodicSite: S (9.167, 13.76, 9.495) [0.4513, 0.6774, 0.4675]\n", + " PeriodicSite: S (8.855, 14.52, 19.02) [0.4359, 0.7146, 0.9366]\n", + " PeriodicSite: S (19.2, 3.748, 8.811) [0.9451, 0.1845, 0.4338]\n", + " PeriodicSite: S (18.98, 3.871, 19.1) [0.9342, 0.1906, 0.9405]\n", + " PeriodicSite: S (18.92, 13.85, 8.824) [0.9314, 0.6817, 0.4344]\n", + " PeriodicSite: S (19.04, 14.37, 19.41) [0.9371, 0.7077, 0.9556]\n", + " PeriodicSite: S (3.915, 1.465, 1.078) [0.1928, 0.07214, 0.05306]\n", + " PeriodicSite: S (3.631, 0.856, 11.01) [0.1788, 0.04214, 0.5423]\n", + " PeriodicSite: S (3.877, 11.82, 1.479) [0.1909, 0.5818, 0.0728]\n", + " PeriodicSite: S (3.925, 11.06, 11.26) [0.1932, 0.5445, 0.5545]\n", + " PeriodicSite: S (14.46, 1.504, 1.257) [0.712, 0.07402, 0.06188]\n", + " PeriodicSite: S (13.94, 1.436, 11.59) [0.6865, 0.0707, 0.5705]\n", + " PeriodicSite: S (13.59, 11.4, 0.7717) [0.6693, 0.5611, 0.038]\n", + " PeriodicSite: S (13.64, 11.3, 11.05) [0.6713, 0.5562, 0.5441]\n", + " PeriodicSite: S (6.346, 0.9188, 8.867) [0.3124, 0.04523, 0.4365]\n", + " PeriodicSite: S (6.726, 1.271, 19.54) [0.3311, 0.06255, 0.9621]\n", + " PeriodicSite: S (6.308, 11.31, 8.879) [0.3105, 0.5566, 0.4371]\n", + " PeriodicSite: S (6.065, 11.44, 19.13) [0.2986, 0.5631, 0.9418]\n", + " PeriodicSite: S (16.4, 1.189, 9.28) [0.8073, 0.05854, 0.4568]\n", + " PeriodicSite: S (16.67, 0.9954, 19.15) [0.8206, 0.049, 0.9428]\n", + " PeriodicSite: S (16.41, 11.23, 8.88) [0.808, 0.553, 0.4372]\n", + " PeriodicSite: S (16.29, 11.67, 19.07) [0.8018, 0.5744, 0.939]\n", + " PeriodicSite: S (1.018, 4.061, 1.056) [0.05012, 0.1999, 0.05197]\n", + " PeriodicSite: S (1.258, 3.533, 11.04) [0.06196, 0.1739, 0.5434]\n", + " PeriodicSite: S (1.204, 14.29, 1.189) [0.05925, 0.7035, 0.05854]\n", + " PeriodicSite: S (0.9472, 13.57, 11.02) [0.04663, 0.668, 0.5427]\n", + " PeriodicSite: S (11.69, 3.529, 0.9045) [0.5755, 0.1737, 0.04453]\n", + " PeriodicSite: S (10.87, 3.912, 11.27) [0.5353, 0.1926, 0.5549]\n", + " PeriodicSite: S (11.21, 14.43, 1.209) [0.5517, 0.7104, 0.05954]\n", + " PeriodicSite: S (11.45, 14.06, 11.9) [0.5638, 0.6923, 0.5857]\n", + " PeriodicSite: S (2.51, 2.771, 17.93) [0.1236, 0.1364, 0.8826]\n", + " PeriodicSite: S (2.782, 12.62, 7.397) [0.137, 0.6211, 0.3642]\n", + " PeriodicSite: S (12.91, 2.644, 8.117) [0.6357, 0.1301, 0.3996]\n", + " PeriodicSite: S (9.031, 8.607, 3.518) [0.4446, 0.4237, 0.1732]\n", + " PeriodicSite: S (9.07, 9.13, 14.07) [0.4465, 0.4495, 0.6926]\n", + " PeriodicSite: S (8.861, 19.32, 3.73) [0.4362, 0.9512, 0.1836]\n", + " PeriodicSite: S (8.97, 19.33, 14.23) [0.4416, 0.9517, 0.7004]\n", + " PeriodicSite: S (19.11, 9.063, 3.721) [0.9407, 0.4462, 0.1832]\n", + " PeriodicSite: S (19.11, 8.955, 13.96) [0.9407, 0.4408, 0.6874]\n", + " PeriodicSite: S (18.7, 19.41, 3.587) [0.9208, 0.9556, 0.1766]\n", + " PeriodicSite: S (19.17, 18.85, 14.24) [0.9438, 0.9278, 0.7012]\n", + " PeriodicSite: S (3.674, 6.431, 6.599) [0.1809, 0.3166, 0.3249]\n", + " PeriodicSite: S (3.854, 6.629, 16.34) [0.1898, 0.3263, 0.8044]\n", + " PeriodicSite: S (4.157, 16.65, 6.301) [0.2047, 0.8198, 0.3102]\n", + " PeriodicSite: S (3.765, 16.37, 16.68) [0.1853, 0.8058, 0.8212]\n", + " PeriodicSite: S (13.81, 6.324, 6.225) [0.6797, 0.3113, 0.3065]\n", + " PeriodicSite: S (13.85, 6.164, 16.75) [0.6818, 0.3035, 0.8244]\n", + " PeriodicSite: S (14.22, 16.24, 6.348) [0.7002, 0.7996, 0.3125]\n", + " PeriodicSite: S (14.33, 16.46, 16.72) [0.7055, 0.8101, 0.8232]\n", + " PeriodicSite: S (6.441, 6.143, 4.503) [0.3171, 0.3024, 0.2217]\n", + " PeriodicSite: S (6.208, 6.434, 14.01) [0.3056, 0.3167, 0.6898]\n", + " PeriodicSite: S (6.523, 16.46, 3.913) [0.3211, 0.8102, 0.1927]\n", + " PeriodicSite: S (6.427, 16.66, 14.51) [0.3164, 0.82, 0.7144]\n", + " PeriodicSite: S (16.47, 6.459, 3.845) [0.8107, 0.318, 0.1893]\n", + " PeriodicSite: S (16.1, 6.26, 14.3) [0.7927, 0.3082, 0.7042]\n", + " PeriodicSite: S (16.42, 16.12, 3.862) [0.8082, 0.7936, 0.1901]\n", + " PeriodicSite: S (16.8, 16.61, 14.45) [0.8271, 0.8177, 0.7116]\n", + " PeriodicSite: S (1.434, 9.113, 6.09) [0.0706, 0.4486, 0.2998]\n", + " PeriodicSite: S (1.195, 8.841, 16.4) [0.05885, 0.4352, 0.8072]\n", + " PeriodicSite: S (0.6881, 19.05, 6.108) [0.03387, 0.9377, 0.3007]\n", + " PeriodicSite: S (1.047, 18.65, 16.53) [0.05156, 0.9181, 0.8137]\n", + " PeriodicSite: S (10.84, 8.853, 6.253) [0.5337, 0.4358, 0.3079]\n", + " PeriodicSite: S (11.06, 9.262, 16.68) [0.5445, 0.456, 0.821]\n", + " PeriodicSite: S (11.05, 19.6, 6.41) [0.5439, 0.9651, 0.3156]\n", + " PeriodicSite: S (10.94, 19.91, 16.71) [0.5386, 0.9803, 0.8227]\n", + " PeriodicSite: S (2.563, 17.74, 2.493) [0.1262, 0.8731, 0.1227]\n", + " PeriodicSite: S (2.696, 17.57, 13.18) [0.1327, 0.8651, 0.6487]\n", + " PeriodicSite: S (12.63, 7.63, 12.74) [0.6217, 0.3756, 0.6274]\n", + " PeriodicSite: S (12.53, 17.88, 2.79) [0.6171, 0.8805, 0.1374]\n", + " PeriodicSite: S (3.684, 4.341, 3.932) [0.1814, 0.2137, 0.1936]\n", + " PeriodicSite: S (3.771, 4.267, 14.11) [0.1857, 0.2101, 0.6944]\n", + " PeriodicSite: S (3.972, 14.43, 3.92) [0.1955, 0.7102, 0.193]\n", + " PeriodicSite: S (3.943, 14.3, 14.15) [0.1941, 0.7042, 0.6968]\n", + " PeriodicSite: S (13.96, 4.012, 3.973) [0.6872, 0.1975, 0.1956]\n", + " PeriodicSite: S (13.85, 3.836, 14.14) [0.6818, 0.1888, 0.6962]\n", + " PeriodicSite: S (13.83, 13.83, 4.097) [0.6811, 0.6809, 0.2017]\n", + " PeriodicSite: S (14.42, 14.46, 14.08) [0.71, 0.7121, 0.6931]\n", + " PeriodicSite: S (8.421, 1.469, 5.869) [0.4146, 0.0723, 0.2889]\n", + " PeriodicSite: S (8.521, 1.8, 16.09) [0.4195, 0.08864, 0.7922]\n", + " PeriodicSite: S (8.819, 11.4, 5.611) [0.4342, 0.5614, 0.2762]\n", + " PeriodicSite: S (8.741, 11.79, 16.32) [0.4303, 0.5807, 0.8034]\n", + " PeriodicSite: S (18.88, 1.327, 6.262) [0.9297, 0.06532, 0.3083]\n", + " PeriodicSite: S (19.37, 1.105, 16.27) [0.9536, 0.05441, 0.8009]\n", + " PeriodicSite: S (19.04, 11.2, 5.969) [0.9374, 0.5515, 0.2939]\n", + " PeriodicSite: S (19.35, 11.56, 16.1) [0.9528, 0.5693, 0.7926]\n", + " PeriodicSite: S (1.102, 1.194, 4.074) [0.05424, 0.0588, 0.2005]\n", + " PeriodicSite: S (1.493, 0.7951, 14.09) [0.07351, 0.03914, 0.6937]\n", + " PeriodicSite: S (1.019, 11.62, 3.868) [0.05014, 0.572, 0.1904]\n", + " PeriodicSite: S (1.279, 11.08, 13.75) [0.06295, 0.5457, 0.6768]\n", + " PeriodicSite: S (11.2, 1.524, 3.917) [0.5512, 0.07502, 0.1929]\n", + " PeriodicSite: S (11.19, 1.582, 14.05) [0.551, 0.07788, 0.6916]\n", + " PeriodicSite: S (11.37, 11.12, 3.641) [0.5596, 0.5475, 0.1792]\n", + " PeriodicSite: S (11.4, 11.42, 14.31) [0.561, 0.5623, 0.7045]\n", + " PeriodicSite: S (5.714, 3.665, 6.611) [0.2813, 0.1804, 0.3255]\n", + " PeriodicSite: S (6.035, 4.129, 16.49) [0.2971, 0.2033, 0.812]\n", + " PeriodicSite: S (6.342, 14.04, 6.356) [0.3122, 0.6913, 0.3129]\n", + " PeriodicSite: S (6.434, 14.15, 16.47) [0.3168, 0.6964, 0.8106]\n", + " PeriodicSite: S (16.26, 4.293, 6.42) [0.8006, 0.2114, 0.3161]\n", + " PeriodicSite: S (16.2, 3.601, 16.51) [0.7976, 0.1773, 0.8127]\n", + " PeriodicSite: S (16.65, 13.75, 6.185) [0.8195, 0.6771, 0.3045]\n", + " PeriodicSite: S (16.71, 13.89, 16.42) [0.8225, 0.6838, 0.8084]\n", + " PeriodicSite: S (7.305, 2.403, 12.36) [0.3596, 0.1183, 0.6084]\n", + " PeriodicSite: S (7.614, 12.74, 2.319) [0.3749, 0.627, 0.1142]\n", + " PeriodicSite: S (17.57, 2.83, 2.889) [0.865, 0.1393, 0.1422]\n", + " PeriodicSite: S (17.39, 12.8, 2.419) [0.8559, 0.6304, 0.1191]\n", + " PeriodicSite: S (17.36, 12.6, 12.66) [0.8548, 0.6202, 0.6233]\n", + " PeriodicSite: S (4.32, 8.699, 8.623) [0.2127, 0.4283, 0.4245]\n", + " PeriodicSite: S (3.493, 9.117, 19.26) [0.172, 0.4488, 0.9482]\n", + " PeriodicSite: S (3.929, 18.79, 8.924) [0.1934, 0.9248, 0.4393]\n", + " PeriodicSite: S (4.364, 19.14, 18.88) [0.2149, 0.9425, 0.9297]\n", + " PeriodicSite: S (13.69, 8.871, 8.904) [0.6742, 0.4367, 0.4383]\n", + " PeriodicSite: S (14.12, 9.271, 18.65) [0.6951, 0.4564, 0.9182]\n", + " PeriodicSite: S (13.83, 19.31, 9.137) [0.681, 0.9508, 0.4498]\n", + " PeriodicSite: S (13.94, 19.74, 19.25) [0.6862, 0.9719, 0.9478]\n", + " PeriodicSite: S (9.4, 5.821, 1.315) [0.4628, 0.2866, 0.06472]\n", + " PeriodicSite: S (8.475, 6.198, 10.84) [0.4172, 0.3051, 0.5337]\n", + " PeriodicSite: S (8.847, 16.77, 1.052) [0.4355, 0.8255, 0.05178]\n", + " PeriodicSite: S (9.05, 16.48, 11.48) [0.4455, 0.8115, 0.5653]\n", + " PeriodicSite: S (18.97, 6.349, 1.147) [0.9341, 0.3126, 0.05648]\n", + " PeriodicSite: S (19.32, 5.962, 11.53) [0.9509, 0.2935, 0.5676]\n", + " PeriodicSite: S (19.32, 16.98, 1.107) [0.9511, 0.836, 0.0545]\n", + " PeriodicSite: S (19.29, 16.42, 10.96) [0.9498, 0.8082, 0.5394]\n", + " PeriodicSite: S (1.168, 6.23, 9.129) [0.0575, 0.3067, 0.4494]\n", + " PeriodicSite: S (0.9792, 6.271, 18.95) [0.04821, 0.3087, 0.933]\n", + " PeriodicSite: S (1.249, 16.05, 8.62) [0.0615, 0.7901, 0.4244]\n", + " PeriodicSite: S (1.595, 16.39, 19.0) [0.07853, 0.8067, 0.9352]\n", + " PeriodicSite: S (11.21, 6.358, 8.967) [0.5521, 0.313, 0.4415]\n", + " PeriodicSite: S (11.74, 6.242, 19.21) [0.5778, 0.3073, 0.9459]\n", + " PeriodicSite: S (11.43, 16.43, 9.212) [0.5628, 0.809, 0.4535]\n", + " PeriodicSite: S (11.43, 16.5, 18.73) [0.5627, 0.8124, 0.9223]\n", + " PeriodicSite: S (5.763, 8.944, 1.173) [0.2837, 0.4403, 0.05774]\n", + " PeriodicSite: S (6.238, 8.747, 11.15) [0.3071, 0.4306, 0.5491]\n", + " PeriodicSite: S (6.144, 19.25, 1.306) [0.3025, 0.9475, 0.06431]\n", + " PeriodicSite: S (6.276, 18.88, 11.34) [0.309, 0.9295, 0.5582]\n", + " PeriodicSite: S (16.16, 9.188, 0.9503) [0.7956, 0.4523, 0.04679]\n", + " PeriodicSite: S (16.1, 8.813, 11.16) [0.7927, 0.4339, 0.5492]\n", + " PeriodicSite: S (16.42, 18.88, 1.143) [0.8083, 0.9295, 0.05629]\n", + " PeriodicSite: S (16.07, 19.02, 11.58) [0.7911, 0.9366, 0.5699]\n", + " PeriodicSite: S (7.371, 7.743, 17.72) [0.3629, 0.3812, 0.8726]\n", + " PeriodicSite: S (7.851, 17.7, 7.553) [0.3865, 0.8713, 0.3718]\n", + " PeriodicSite: S (17.48, 7.664, 7.982) [0.8607, 0.3773, 0.393]\n", + " PeriodicSite: S (17.8, 17.61, 7.895) [0.8765, 0.8667, 0.3887]\n", + " PeriodicSite: P (5.239, 0.1077, 20.29) [0.2579, 0.005299, 0.9988]\n", + " PeriodicSite: P (5.082, 20.07, 10.12) [0.2502, 0.9882, 0.4983]\n", + " PeriodicSite: P (4.764, 10.46, 0.1915) [0.2345, 0.5147, 0.009432]\n", + " PeriodicSite: P (5.067, 9.957, 9.922) [0.2495, 0.4902, 0.4885]\n", + " PeriodicSite: P (15.43, 0.05005, 0.1739) [0.7596, 0.002457, 0.008566]\n", + " PeriodicSite: P (15.01, 0.005078, 10.49) [0.7392, 0.0002439, 0.5164]\n", + " PeriodicSite: P (15.03, 10.42, 20.08) [0.7401, 0.5129, 0.9888]\n", + " PeriodicSite: P (14.92, 10.14, 9.963) [0.7345, 0.4992, 0.4905]\n", + " PeriodicSite: P (4.841, 5.19, 5.465) [0.2383, 0.2555, 0.2691]\n", + " PeriodicSite: P (4.898, 5.342, 15.21) [0.2412, 0.263, 0.7489]\n", + " PeriodicSite: P (5.306, 15.3, 5.089) [0.2612, 0.7534, 0.2506]\n", + " PeriodicSite: P (5.166, 15.32, 15.47) [0.2543, 0.7542, 0.7616]\n", + " PeriodicSite: P (15.14, 5.275, 5.029) [0.7455, 0.2597, 0.2476]\n", + " PeriodicSite: P (14.97, 4.996, 15.37) [0.7372, 0.246, 0.7568]\n", + " PeriodicSite: P (15.34, 14.87, 5.187) [0.7551, 0.7322, 0.2554]\n", + " PeriodicSite: P (15.59, 15.39, 15.47) [0.7676, 0.7576, 0.7618]\n", + " PeriodicSite: P (20.09, 0.0325, 4.96) [0.989, 0.001591, 0.2442]\n", + " PeriodicSite: P (0.2546, 20.07, 15.29) [0.01253, 0.988, 0.7526]\n", + " PeriodicSite: P (0.1495, 10.15, 4.832) [0.007359, 0.4995, 0.2379]\n", + " PeriodicSite: P (0.03041, 10.1, 15.12) [0.001497, 0.4974, 0.7446]\n", + " PeriodicSite: P (9.998, 0.445, 5.059) [0.4922, 0.0219, 0.249]\n", + " PeriodicSite: P (9.919, 0.5648, 15.29) [0.4883, 0.0278, 0.753]\n", + " PeriodicSite: P (10.05, 9.963, 4.637) [0.4946, 0.4905, 0.2283]\n", + " PeriodicSite: P (9.943, 10.45, 15.36) [0.4895, 0.5144, 0.7563]\n", + " PeriodicSite: P (20.03, 5.161, 20.1) [0.9863, 0.2541, 0.9895]\n", + " PeriodicSite: P (0.03688, 4.9, 10.2) [0.001816, 0.2412, 0.5022]\n", + " PeriodicSite: P (0.1351, 15.61, 20.23) [0.006647, 0.7684, 0.9959]\n", + " PeriodicSite: P (20.24, 14.99, 9.88) [0.9964, 0.7378, 0.4864]\n", + " PeriodicSite: P (10.47, 4.938, 20.2) [0.5156, 0.2431, 0.9946]\n", + " PeriodicSite: P (9.837, 5.011, 9.872) [0.4843, 0.2467, 0.486]\n", + " PeriodicSite: P (10.19, 15.53, 20.14) [0.5017, 0.7647, 0.9913]\n", + " PeriodicSite: P (10.39, 15.18, 10.47) [0.5115, 0.7473, 0.5154],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.664, 6.585, 5.154) [0.08194, 0.3242, 0.2538]\n", + " PeriodicSite: Li (1.64, 2.927, 15.56) [0.08076, 0.1441, 0.7659]\n", + " PeriodicSite: Li (0.4498, 12.87, 6.953) [0.02214, 0.6335, 0.3423]\n", + " PeriodicSite: Li (0.6643, 13.7, 17.24) [0.0327, 0.6747, 0.8487]\n", + " PeriodicSite: Li (14.45, 0.3977, 7.23) [0.7114, 0.01957, 0.3559]\n", + " PeriodicSite: Li (11.88, 4.08, 16.3) [0.585, 0.2009, 0.8027]\n", + " PeriodicSite: Li (14.25, 11.29, 3.164) [0.7013, 0.556, 0.1558]\n", + " PeriodicSite: Li (17.31, 8.584, 15.25) [0.8522, 0.4226, 0.7509]\n", + " PeriodicSite: Li (3.519, 5.031, 8.567) [0.1732, 0.2477, 0.4218]\n", + " PeriodicSite: Li (1.247, 1.875, 20.15) [0.06138, 0.09231, 0.992]\n", + " PeriodicSite: Li (4.242, 7.906, 4.317) [0.2088, 0.3892, 0.2125]\n", + " PeriodicSite: Li (7.234, 9.788, 17.09) [0.3561, 0.4819, 0.8411]\n", + " PeriodicSite: Li (12.01, 4.528, 7.159) [0.5913, 0.2229, 0.3524]\n", + " PeriodicSite: Li (12.39, 1.469, 19.93) [0.6098, 0.07234, 0.9813]\n", + " PeriodicSite: Li (10.77, 9.434, 12.35) [0.53, 0.4644, 0.608]\n", + " PeriodicSite: Li (10.14, 18.35, 18.07) [0.4994, 0.9034, 0.8896]\n", + " PeriodicSite: Li (5.062, 1.329, 7.073) [0.2492, 0.06544, 0.3482]\n", + " PeriodicSite: Li (3.124, 19.83, 13.28) [0.1538, 0.9763, 0.6536]\n", + " PeriodicSite: Li (3.14, 10.06, 6.731) [0.1546, 0.4954, 0.3314]\n", + " PeriodicSite: Li (6.756, 10.35, 13.47) [0.3326, 0.5094, 0.6633]\n", + " PeriodicSite: Li (12.6, 1.33, 9.657) [0.6203, 0.06546, 0.4754]\n", + " PeriodicSite: Li (10.22, 1.612, 17.93) [0.5031, 0.07933, 0.8828]\n", + " PeriodicSite: Li (13.37, 14.98, 8.464) [0.658, 0.7376, 0.4167]\n", + " PeriodicSite: Li (11.59, 10.99, 18.87) [0.5705, 0.5409, 0.9289]\n", + " PeriodicSite: Li (0.4563, 3.274, 6.765) [0.02247, 0.1612, 0.333]\n", + " PeriodicSite: Li (0.2565, 4.006, 17.62) [0.01263, 0.1972, 0.8676]\n", + " PeriodicSite: Li (2.493, 14.34, 6.036) [0.1227, 0.7058, 0.2971]\n", + " PeriodicSite: Li (4.569, 15.02, 18.4) [0.2249, 0.7395, 0.9061]\n", + " PeriodicSite: Li (13.28, 1.775, 5.387) [0.654, 0.08739, 0.2652]\n", + " PeriodicSite: Li (14.75, 1.797, 16.77) [0.7259, 0.08846, 0.8256]\n", + " PeriodicSite: Li (11.43, 12.14, 9.901) [0.5627, 0.5978, 0.4875]\n", + " PeriodicSite: Li (17.12, 17.32, 20.11) [0.8426, 0.8527, 0.9898]\n", + " PeriodicSite: Li (6.821, 0.6773, 4.007) [0.3358, 0.03334, 0.1973]\n", + " PeriodicSite: Li (0.5185, 17.99, 2.408) [0.02552, 0.8855, 0.1185]\n", + " PeriodicSite: Li (2.973, 14.52, 9.627) [0.1464, 0.7147, 0.4739]\n", + " PeriodicSite: Li (2.058, 16.64, 15.15) [0.1013, 0.8193, 0.7459]\n", + " PeriodicSite: Li (14.95, 3.587, 8.326) [0.7361, 0.1766, 0.4099]\n", + " PeriodicSite: Li (13.74, 4.521, 19.2) [0.6767, 0.2225, 0.9453]\n", + " PeriodicSite: Li (17.03, 15.58, 7.946) [0.8385, 0.767, 0.3912]\n", + " PeriodicSite: Li (10.4, 14.01, 17.55) [0.5118, 0.6899, 0.8642]\n", + " PeriodicSite: Li (3.606, 1.543, 3.897) [0.1775, 0.07594, 0.1918]\n", + " PeriodicSite: Li (2.024, 0.5071, 18.07) [0.09965, 0.02497, 0.8894]\n", + " PeriodicSite: Li (4.715, 12.2, 6.187) [0.2321, 0.6007, 0.3046]\n", + " PeriodicSite: Li (18.39, 13.8, 4.406) [0.9055, 0.6793, 0.2169]\n", + " PeriodicSite: Li (10.45, 1.498, 7.878) [0.5143, 0.07373, 0.3879]\n", + " PeriodicSite: Li (17.4, 19.23, 15.4) [0.8567, 0.9469, 0.7584]\n", + " PeriodicSite: Li (13.61, 9.059, 6.129) [0.6702, 0.446, 0.3017]\n", + " PeriodicSite: Li (14.69, 8.24, 16.46) [0.723, 0.4056, 0.8102]\n", + " PeriodicSite: Li (3.129, 12.11, 15.28) [0.154, 0.5961, 0.7522]\n", + " PeriodicSite: Li (1.825, 11.33, 9.556) [0.08983, 0.5577, 0.4704]\n", + " PeriodicSite: Li (1.833, 15.44, 3.196) [0.09022, 0.7601, 0.1573]\n", + " PeriodicSite: Li (2.174, 1.527, 10.05) [0.107, 0.07518, 0.495]\n", + " PeriodicSite: Li (11.78, 5.231, 3.662) [0.5798, 0.2575, 0.1803]\n", + " PeriodicSite: Li (12.17, 7.083, 15.0) [0.5989, 0.3487, 0.7387]\n", + " PeriodicSite: Li (11.29, 12.59, 5.65) [0.5558, 0.6196, 0.2782]\n", + " PeriodicSite: Li (13.06, 0.2322, 13.9) [0.6431, 0.01143, 0.6841]\n", + " PeriodicSite: Li (3.118, 6.922, 0.1658) [0.1535, 0.3408, 0.008163]\n", + " PeriodicSite: Li (2.751, 4.778, 11.91) [0.1354, 0.2352, 0.5864]\n", + " PeriodicSite: Li (6.41, 17.67, 19.73) [0.3156, 0.8702, 0.9711]\n", + " PeriodicSite: Li (3.765, 18.85, 16.28) [0.1853, 0.9281, 0.8014]\n", + " PeriodicSite: Li (14.02, 5.356, 1.619) [0.6903, 0.2637, 0.07973]\n", + " PeriodicSite: Li (10.59, 5.95, 12.58) [0.5213, 0.2929, 0.6191]\n", + " PeriodicSite: Li (12.68, 16.34, 5.014) [0.6244, 0.8043, 0.2469]\n", + " PeriodicSite: Li (10.34, 17.78, 14.19) [0.5092, 0.8753, 0.6985]\n", + " PeriodicSite: Li (3.953, 10.52, 17.35) [0.1946, 0.5177, 0.854]\n", + " PeriodicSite: Li (4.404, 7.332, 11.15) [0.2168, 0.361, 0.549]\n", + " PeriodicSite: Li (4.789, 16.87, 2.529) [0.2358, 0.8306, 0.1245]\n", + " PeriodicSite: Li (2.503, 18.55, 10.64) [0.1232, 0.9132, 0.5238]\n", + " PeriodicSite: Li (10.24, 7.79, 2.109) [0.5041, 0.3835, 0.1038]\n", + " PeriodicSite: Li (14.29, 5.89, 12.74) [0.7037, 0.29, 0.6272]\n", + " PeriodicSite: Li (10.84, 15.63, 2.857) [0.5335, 0.7695, 0.1406]\n", + " PeriodicSite: Li (13.72, 15.78, 11.89) [0.6755, 0.777, 0.5854]\n", + " PeriodicSite: Li (0.2933, 8.39, 1.752) [0.01443, 0.413, 0.08627]\n", + " PeriodicSite: Li (17.31, 6.344, 10.08) [0.8523, 0.3123, 0.4961]\n", + " PeriodicSite: Li (2.959, 17.99, 4.979) [0.1457, 0.8857, 0.2451]\n", + " PeriodicSite: Li (0.4453, 18.48, 12.3) [0.02192, 0.9097, 0.6054]\n", + " PeriodicSite: Li (9.667, 6.925, 5.325) [0.4759, 0.3409, 0.2621]\n", + " PeriodicSite: Li (13.28, 11.13, 16.11) [0.6539, 0.5477, 0.7933]\n", + " PeriodicSite: Li (14.39, 15.92, 2.422) [0.7082, 0.7835, 0.1192]\n", + " PeriodicSite: Li (12.33, 14.73, 15.53) [0.6072, 0.725, 0.7647]\n", + " PeriodicSite: Li (6.859, 8.381, 5.123) [0.3377, 0.4126, 0.2522]\n", + " PeriodicSite: Li (19.77, 11.68, 11.68) [0.9731, 0.5751, 0.575]\n", + " PeriodicSite: Li (19.51, 17.24, 6.18) [0.9603, 0.8486, 0.3043]\n", + " PeriodicSite: Li (6.692, 18.57, 15.27) [0.3295, 0.9141, 0.7517]\n", + " PeriodicSite: Li (17.71, 11.03, 4.251) [0.8719, 0.5432, 0.2093]\n", + " PeriodicSite: Li (13.17, 6.962, 10.1) [0.6485, 0.3427, 0.4974]\n", + " PeriodicSite: Li (13.93, 17.23, 0.1061) [0.6859, 0.8483, 0.005226]\n", + " PeriodicSite: Li (12.14, 18.49, 10.44) [0.5978, 0.9101, 0.5142]\n", + " PeriodicSite: Li (3.607, 3.724, 0.05263) [0.1776, 0.1833, 0.002593]\n", + " PeriodicSite: Li (3.391, 9.734, 13.58) [0.1669, 0.4792, 0.6684]\n", + " PeriodicSite: Li (3.898, 19.55, 2.702) [0.1919, 0.9627, 0.133]\n", + " PeriodicSite: Li (0.923, 15.47, 12.49) [0.04544, 0.7617, 0.6147]\n", + " PeriodicSite: Li (14.79, 8.403, 3.454) [0.7282, 0.4137, 0.1701]\n", + " PeriodicSite: Li (14.45, 8.709, 13.32) [0.7114, 0.4287, 0.6556]\n", + " PeriodicSite: Li (12.69, 19.39, 4.471) [0.6248, 0.9544, 0.2201]\n", + " PeriodicSite: Li (19.64, 4.22, 13.31) [0.9668, 0.2078, 0.6554]\n", + " PeriodicSite: Li (10.1, 2.264, 1.784) [0.4972, 0.1115, 0.08785]\n", + " PeriodicSite: Li (9.496, 1.48, 11.64) [0.4675, 0.07284, 0.5732]\n", + " PeriodicSite: Li (5.864, 10.76, 2.792) [0.2887, 0.5298, 0.1374]\n", + " PeriodicSite: Li (6.659, 12.49, 15.27) [0.3278, 0.6147, 0.7517]\n", + " PeriodicSite: Li (18.07, 3.356, 4.779) [0.8898, 0.1652, 0.2353]\n", + " PeriodicSite: Li (13.08, 4.152, 10.33) [0.644, 0.2044, 0.5085]\n", + " PeriodicSite: Li (0.02863, 12.23, 1.921) [0.001404, 0.6022, 0.09459]\n", + " PeriodicSite: Li (17.39, 10.28, 13.18) [0.8561, 0.506, 0.6489]\n", + " PeriodicSite: Li (5.925, 17.87, 5.931) [0.2917, 0.8798, 0.292]\n", + " PeriodicSite: Li (8.836, 3.211, 14.16) [0.435, 0.1581, 0.6969]\n", + " PeriodicSite: Li (6.867, 13.41, 20.11) [0.3381, 0.6604, 0.9901]\n", + " PeriodicSite: Li (9.897, 13.69, 13.74) [0.4872, 0.6738, 0.6763]\n", + " PeriodicSite: Li (14.82, 18.5, 3.323) [0.7294, 0.9108, 0.1636]\n", + " PeriodicSite: Li (17.7, 1.009, 11.87) [0.8712, 0.04965, 0.5843]\n", + " PeriodicSite: Li (18.21, 14.76, 1.865) [0.8965, 0.7266, 0.09182]\n", + " PeriodicSite: Li (16.58, 14.63, 12.58) [0.8163, 0.7203, 0.6194]\n", + " PeriodicSite: Li (8.243, 4.176, 6.123) [0.4058, 0.2056, 0.3014]\n", + " PeriodicSite: Li (6.731, 20.29, 13.0) [0.3314, 0.9988, 0.64]\n", + " PeriodicSite: Li (9.735, 11.73, 1.89) [0.4793, 0.5777, 0.09305]\n", + " PeriodicSite: Li (5.24, 13.0, 11.47) [0.258, 0.6402, 0.5645]\n", + " PeriodicSite: Li (0.09642, 2.953, 2.424) [0.004746, 0.1454, 0.1193]\n", + " PeriodicSite: Li (0.4826, 7.791, 11.3) [0.02376, 0.3836, 0.5562]\n", + " PeriodicSite: Li (15.76, 13.38, 1.32) [0.776, 0.6588, 0.065]\n", + " PeriodicSite: Li (15.69, 12.17, 13.35) [0.7726, 0.5993, 0.6571]\n", + " PeriodicSite: Li (2.775, 0.3402, 6.262) [0.1366, 0.01675, 0.3083]\n", + " PeriodicSite: Li (6.363, 1.919, 14.88) [0.3133, 0.09446, 0.7325]\n", + " PeriodicSite: Li (5.12, 13.38, 1.779) [0.2521, 0.6588, 0.08756]\n", + " PeriodicSite: Li (8.38, 6.861, 15.54) [0.4126, 0.3377, 0.7652]\n", + " PeriodicSite: Li (17.3, 4.858, 2.281) [0.8516, 0.2391, 0.1123]\n", + " PeriodicSite: Li (14.77, 18.3, 13.91) [0.7274, 0.901, 0.6849]\n", + " PeriodicSite: Li (13.13, 14.23, 20.09) [0.6463, 0.7007, 0.9889]\n", + " PeriodicSite: Li (17.26, 13.44, 10.18) [0.85, 0.6617, 0.5011]\n", + " PeriodicSite: Li (7.018, 3.766, 0.2755) [0.3455, 0.1854, 0.01357]\n", + " PeriodicSite: Li (5.141, 2.932, 12.12) [0.2531, 0.1444, 0.5966]\n", + " PeriodicSite: Li (7.595, 10.54, 0.5266) [0.3739, 0.5191, 0.02593]\n", + " PeriodicSite: Li (8.084, 10.97, 10.94) [0.398, 0.54, 0.5384]\n", + " PeriodicSite: Li (15.6, 2.493, 2.784) [0.7682, 0.1227, 0.1371]\n", + " PeriodicSite: Li (15.65, 3.548, 11.66) [0.7704, 0.1747, 0.574]\n", + " PeriodicSite: Li (0.003281, 10.59, 18.18) [0.0001616, 0.5215, 0.8951]\n", + " PeriodicSite: Li (18.68, 13.32, 14.54) [0.9195, 0.6556, 0.7159]\n", + " PeriodicSite: Li (8.119, 0.6882, 0.9519) [0.3997, 0.03388, 0.04687]\n", + " PeriodicSite: Li (6.893, 2.818, 10.32) [0.3394, 0.1387, 0.5079]\n", + " PeriodicSite: Li (8.091, 12.56, 4.331) [0.3983, 0.6182, 0.2132]\n", + " PeriodicSite: Li (4.553, 16.94, 11.82) [0.2241, 0.8341, 0.5817]\n", + " PeriodicSite: Li (16.82, 3.141, 0.2143) [0.8279, 0.1546, 0.01056]\n", + " PeriodicSite: Li (1.771, 6.69, 14.69) [0.08717, 0.3294, 0.723]\n", + " PeriodicSite: Li (5.106, 13.33, 8.468) [0.2514, 0.6562, 0.4169]\n", + " PeriodicSite: Li (14.86, 12.84, 9.883) [0.7316, 0.6322, 0.4866]\n", + " PeriodicSite: Li (14.9, 12.11, 6.336) [0.7337, 0.596, 0.3119]\n", + " PeriodicSite: Li (5.544, 7.999, 15.76) [0.273, 0.3938, 0.7758]\n", + " PeriodicSite: Li (7.257, 14.89, 10.51) [0.3573, 0.7332, 0.5174]\n", + " PeriodicSite: Li (2.137, 18.49, 20.16) [0.1052, 0.9104, 0.9926]\n", + " PeriodicSite: Li (16.18, 9.358, 7.413) [0.7964, 0.4607, 0.3649]\n", + " PeriodicSite: Li (3.05, 5.031, 17.81) [0.1502, 0.2477, 0.8767]\n", + " PeriodicSite: Li (17.41, 0.06632, 4.433) [0.857, 0.003257, 0.2183]\n", + " PeriodicSite: Li (18.75, 20.05, 18.61) [0.9231, 0.987, 0.9163]\n", + " PeriodicSite: Li (6.721, 9.933, 7.154) [0.3309, 0.489, 0.3522]\n", + " PeriodicSite: Li (6.928, 5.267, 18.07) [0.3411, 0.2593, 0.8898]\n", + " PeriodicSite: Li (7.828, 19.82, 7.512) [0.3854, 0.9757, 0.3698]\n", + " PeriodicSite: Li (8.07, 15.99, 17.16) [0.3973, 0.7872, 0.8446]\n", + " PeriodicSite: Li (18.01, 9.561, 9.388) [0.8864, 0.4707, 0.4622]\n", + " PeriodicSite: Li (17.49, 7.443, 0.3586) [0.8612, 0.3664, 0.01766]\n", + " PeriodicSite: Li (18.15, 20.2, 7.801) [0.8934, 0.9946, 0.3841]\n", + " PeriodicSite: Li (18.7, 16.63, 15.92) [0.9206, 0.8186, 0.7836]\n", + " PeriodicSite: Li (6.426, 6.521, 9.019) [0.3163, 0.321, 0.444]\n", + " PeriodicSite: Li (4.118, 2.047, 16.04) [0.2027, 0.1008, 0.7898]\n", + " PeriodicSite: Li (8.649, 18.24, 9.689) [0.4258, 0.8981, 0.477]\n", + " PeriodicSite: Li (16.38, 11.49, 16.78) [0.8062, 0.5656, 0.8261]\n", + " PeriodicSite: Li (0.03019, 7.873, 7.979) [0.001485, 0.3876, 0.3928]\n", + " PeriodicSite: Li (16.81, 5.758, 18.21) [0.8274, 0.2835, 0.8967]\n", + " PeriodicSite: Li (17.01, 17.35, 10.41) [0.8376, 0.8543, 0.5126]\n", + " PeriodicSite: Li (15.59, 14.84, 18.18) [0.7674, 0.7308, 0.895]\n", + " PeriodicSite: Li (9.906, 8.182, 8.517) [0.4877, 0.4028, 0.4193]\n", + " PeriodicSite: Li (4.792, 4.737, 2.264) [0.2359, 0.2332, 0.1115]\n", + " PeriodicSite: Li (5.601, 16.86, 8.638) [0.2757, 0.83, 0.4253]\n", + " PeriodicSite: Li (7.094, 15.33, 2.152) [0.3492, 0.7545, 0.1059]\n", + " PeriodicSite: Li (15.71, 6.623, 8.201) [0.7734, 0.3261, 0.4037]\n", + " PeriodicSite: Li (19.88, 7.257, 17.15) [0.9786, 0.3572, 0.8444]\n", + " PeriodicSite: Li (16.08, 18.31, 6.163) [0.7918, 0.9015, 0.3034]\n", + " PeriodicSite: Li (15.5, 19.18, 17.64) [0.7633, 0.9443, 0.8686]\n", + " PeriodicSite: Li (6.817, 5.242, 11.96) [0.3356, 0.258, 0.5886]\n", + " PeriodicSite: Li (5.956, 7.657, 19.46) [0.2932, 0.377, 0.9579]\n", + " PeriodicSite: Li (8.969, 17.59, 5.537) [0.4416, 0.8658, 0.2726]\n", + " PeriodicSite: Li (11.25, 18.78, 1.657) [0.554, 0.9246, 0.08159]\n", + " PeriodicSite: Li (17.96, 8.229, 5.516) [0.884, 0.4051, 0.2715]\n", + " PeriodicSite: Li (14.51, 7.665, 20.2) [0.7144, 0.3774, 0.9944]\n", + " PeriodicSite: Li (19.81, 17.53, 9.054) [0.975, 0.8628, 0.4457]\n", + " PeriodicSite: Li (18.24, 0.5947, 1.132) [0.8978, 0.02927, 0.05575]\n", + " PeriodicSite: Li (2.924, 10.2, 3.226) [0.144, 0.5021, 0.1588]\n", + " PeriodicSite: Li (9.462, 8.056, 18.62) [0.4658, 0.3966, 0.9168]\n", + " PeriodicSite: Li (9.348, 15.94, 7.96) [0.4602, 0.7845, 0.3919]\n", + " PeriodicSite: Li (6.811, 0.2732, 17.39) [0.3353, 0.01345, 0.8561]\n", + " PeriodicSite: Li (18.23, 5.717, 6.967) [0.8974, 0.2814, 0.343]\n", + " PeriodicSite: Li (18.03, 11.19, 0.7227) [0.8874, 0.5508, 0.03559]\n", + " PeriodicSite: Li (2.786, 15.9, 0.5281) [0.1371, 0.7827, 0.026]\n", + " PeriodicSite: Li (17.15, 1.578, 14.97) [0.8445, 0.07766, 0.7368]\n", + " PeriodicSite: Cl (7.605, 12.5, 12.51) [0.3744, 0.6155, 0.6157]\n", + " PeriodicSite: Cl (2.213, 12.19, 17.47) [0.1089, 0.6002, 0.86]\n", + " PeriodicSite: Cl (12.55, 17.97, 13.03) [0.6179, 0.8848, 0.6415]\n", + " PeriodicSite: Cl (17.45, 7.803, 17.85) [0.8589, 0.3842, 0.8788]\n", + " PeriodicSite: Cl (7.536, 2.442, 2.563) [0.371, 0.1202, 0.1262]\n", + " PeriodicSite: Cl (7.601, 7.725, 7.263) [0.3742, 0.3803, 0.3576]\n", + " PeriodicSite: Cl (13.05, 13.0, 7.509) [0.6422, 0.6402, 0.3697]\n", + " PeriodicSite: Cl (2.455, 7.782, 2.627) [0.1209, 0.3831, 0.1293]\n", + " PeriodicSite: Cl (2.503, 7.541, 12.65) [0.1232, 0.3712, 0.623]\n", + " PeriodicSite: Cl (12.75, 12.76, 17.75) [0.6279, 0.6282, 0.8741]\n", + " PeriodicSite: Cl (17.63, 18.03, 17.79) [0.8681, 0.8875, 0.876]\n", + " PeriodicSite: Cl (2.599, 2.232, 7.716) [0.1279, 0.1099, 0.3799]\n", + " PeriodicSite: Cl (12.85, 2.625, 17.87) [0.6326, 0.1292, 0.8799]\n", + " PeriodicSite: Cl (12.89, 7.364, 2.517) [0.6344, 0.3625, 0.1239]\n", + " PeriodicSite: Cl (17.66, 2.983, 12.85) [0.8694, 0.1469, 0.6326]\n", + " PeriodicSite: Cl (7.917, 18.44, 17.81) [0.3898, 0.9077, 0.877]\n", + " PeriodicSite: Cl (20.28, 0.3337, 0.1892) [0.9984, 0.01642, 0.009322]\n", + " PeriodicSite: Cl (0.5738, 19.6, 10.36) [0.02824, 0.9649, 0.5099]\n", + " PeriodicSite: Cl (20.0, 10.31, 0.3604) [0.9846, 0.5076, 0.01775]\n", + " PeriodicSite: Cl (20.2, 9.501, 9.911) [0.9945, 0.4677, 0.488]\n", + " PeriodicSite: Cl (10.28, 0.4085, 20.08) [0.5062, 0.02011, 0.9886]\n", + " PeriodicSite: Cl (10.33, 20.16, 10.24) [0.5086, 0.9925, 0.5042]\n", + " PeriodicSite: Cl (9.84, 9.679, 20.3) [0.4844, 0.4765, 0.9996]\n", + " PeriodicSite: Cl (10.04, 10.12, 10.01) [0.4944, 0.4981, 0.4927]\n", + " PeriodicSite: Cl (20.01, 4.935, 5.363) [0.9849, 0.2429, 0.264]\n", + " PeriodicSite: Cl (0.2136, 5.107, 15.41) [0.01052, 0.2514, 0.7585]\n", + " PeriodicSite: Cl (0.3378, 14.99, 5.02) [0.01662, 0.7381, 0.2471]\n", + " PeriodicSite: Cl (0.09916, 14.86, 15.27) [0.004879, 0.7318, 0.7517]\n", + " PeriodicSite: Cl (10.36, 4.768, 5.527) [0.51, 0.2347, 0.2721]\n", + " PeriodicSite: Cl (10.05, 5.369, 14.87) [0.4949, 0.2643, 0.7321]\n", + " PeriodicSite: Cl (10.56, 15.51, 5.281) [0.52, 0.7634, 0.26]\n", + " PeriodicSite: Cl (9.981, 15.29, 15.58) [0.4914, 0.7525, 0.7669]\n", + " PeriodicSite: S (4.904, 19.94, 5.158) [0.2414, 0.9817, 0.2539]\n", + " PeriodicSite: S (5.236, 0.0494, 15.37) [0.2578, 0.002431, 0.7565]\n", + " PeriodicSite: S (4.957, 10.26, 4.919) [0.244, 0.5049, 0.2422]\n", + " PeriodicSite: S (5.333, 10.51, 15.4) [0.2625, 0.5172, 0.758]\n", + " PeriodicSite: S (15.04, 20.17, 5.175) [0.7406, 0.9928, 0.2548]\n", + " PeriodicSite: S (15.39, 20.23, 15.28) [0.7578, 0.9957, 0.7523]\n", + " PeriodicSite: S (15.44, 10.32, 5.026) [0.7602, 0.5079, 0.2474]\n", + " PeriodicSite: S (15.32, 10.19, 15.02) [0.754, 0.5017, 0.7393]\n", + " PeriodicSite: S (5.109, 5.457, 20.04) [0.2515, 0.2686, 0.9868]\n", + " PeriodicSite: S (4.91, 5.023, 10.51) [0.2417, 0.2473, 0.5172]\n", + " PeriodicSite: S (5.366, 15.51, 0.5524) [0.2642, 0.7633, 0.0272]\n", + " PeriodicSite: S (4.967, 15.03, 10.09) [0.2445, 0.7397, 0.4969]\n", + " PeriodicSite: S (15.7, 5.606, 20.12) [0.7729, 0.276, 0.9905]\n", + " PeriodicSite: S (14.96, 5.349, 10.25) [0.7367, 0.2634, 0.5047]\n", + " PeriodicSite: S (15.22, 15.49, 0.2307) [0.7495, 0.7627, 0.01136]\n", + " PeriodicSite: S (15.47, 15.09, 10.09) [0.7618, 0.743, 0.4968]\n", + " PeriodicSite: S (8.953, 3.744, 8.5) [0.4408, 0.1843, 0.4185]\n", + " PeriodicSite: S (9.262, 3.642, 19.32) [0.456, 0.1793, 0.9514]\n", + " PeriodicSite: S (9.102, 13.94, 9.487) [0.4481, 0.6863, 0.4671]\n", + " PeriodicSite: S (8.651, 14.32, 19.02) [0.4259, 0.7048, 0.9365]\n", + " PeriodicSite: S (18.98, 3.951, 8.634) [0.9346, 0.1945, 0.4251]\n", + " PeriodicSite: S (18.91, 3.958, 19.25) [0.931, 0.1949, 0.9479]\n", + " PeriodicSite: S (19.0, 14.03, 8.631) [0.9353, 0.6906, 0.4249]\n", + " PeriodicSite: S (18.99, 14.33, 18.94) [0.9349, 0.7053, 0.9327]\n", + " PeriodicSite: S (3.892, 1.476, 1.511) [0.1916, 0.07266, 0.07437]\n", + " PeriodicSite: S (4.022, 0.7318, 11.43) [0.198, 0.03603, 0.5627]\n", + " PeriodicSite: S (3.655, 11.57, 1.065) [0.1799, 0.5698, 0.05245]\n", + " PeriodicSite: S (3.663, 11.08, 11.44) [0.1804, 0.5454, 0.5631]\n", + " PeriodicSite: S (14.48, 1.836, 0.8751) [0.7129, 0.09037, 0.04309]\n", + " PeriodicSite: S (14.03, 1.318, 11.64) [0.6906, 0.06488, 0.5729]\n", + " PeriodicSite: S (13.93, 11.99, 0.9121) [0.6857, 0.5905, 0.04491]\n", + " PeriodicSite: S (13.81, 11.13, 11.43) [0.6797, 0.548, 0.5629]\n", + " PeriodicSite: S (6.395, 0.8845, 8.94) [0.3148, 0.04354, 0.4401]\n", + " PeriodicSite: S (6.422, 1.494, 19.42) [0.3162, 0.07353, 0.956]\n", + " PeriodicSite: S (6.171, 11.36, 8.927) [0.3038, 0.5594, 0.4395]\n", + " PeriodicSite: S (5.994, 11.22, 18.96) [0.2951, 0.5521, 0.9335]\n", + " PeriodicSite: S (16.66, 1.275, 9.512) [0.8204, 0.06276, 0.4683]\n", + " PeriodicSite: S (16.69, 1.182, 19.1) [0.8217, 0.05821, 0.9403]\n", + " PeriodicSite: S (16.29, 11.37, 8.955) [0.8018, 0.5596, 0.4409]\n", + " PeriodicSite: S (16.43, 11.6, 19.26) [0.8091, 0.5709, 0.9481]\n", + " PeriodicSite: S (1.428, 3.929, 0.8571) [0.0703, 0.1934, 0.0422]\n", + " PeriodicSite: S (0.8126, 3.306, 11.23) [0.04, 0.1627, 0.5531]\n", + " PeriodicSite: S (1.155, 13.99, 1.058) [0.05687, 0.6889, 0.05209]\n", + " PeriodicSite: S (1.014, 13.53, 11.0) [0.04991, 0.6659, 0.5416]\n", + " PeriodicSite: S (12.36, 3.823, 0.6939) [0.6086, 0.1882, 0.03416]\n", + " PeriodicSite: S (11.03, 3.683, 11.2) [0.5432, 0.1813, 0.5514]\n", + " PeriodicSite: S (10.92, 13.74, 1.232) [0.5378, 0.6765, 0.06063]\n", + " PeriodicSite: S (11.63, 14.35, 11.86) [0.5727, 0.7063, 0.5837]\n", + " PeriodicSite: S (2.415, 2.741, 17.69) [0.1189, 0.135, 0.8707]\n", + " PeriodicSite: S (2.87, 12.6, 7.535) [0.1413, 0.6202, 0.371]\n", + " PeriodicSite: S (12.79, 2.527, 7.524) [0.6297, 0.1244, 0.3704]\n", + " PeriodicSite: S (8.942, 8.781, 3.886) [0.4402, 0.4323, 0.1913]\n", + " PeriodicSite: S (8.787, 9.049, 14.39) [0.4326, 0.4455, 0.7082]\n", + " PeriodicSite: S (8.776, 19.3, 3.572) [0.4321, 0.9502, 0.1759]\n", + " PeriodicSite: S (8.669, 19.17, 13.99) [0.4268, 0.9438, 0.689]\n", + " PeriodicSite: S (19.09, 9.264, 3.676) [0.94, 0.4561, 0.181]\n", + " PeriodicSite: S (19.31, 8.827, 13.84) [0.9506, 0.4346, 0.6811]\n", + " PeriodicSite: S (19.07, 19.31, 3.697) [0.9389, 0.9507, 0.182]\n", + " PeriodicSite: S (19.35, 18.96, 14.22) [0.9526, 0.9336, 0.6999]\n", + " PeriodicSite: S (3.818, 6.472, 6.239) [0.188, 0.3186, 0.3072]\n", + " PeriodicSite: S (3.718, 6.425, 16.06) [0.183, 0.3163, 0.7909]\n", + " PeriodicSite: S (4.052, 16.31, 6.496) [0.1995, 0.8028, 0.3198]\n", + " PeriodicSite: S (3.912, 16.59, 16.46) [0.1926, 0.8168, 0.8103]\n", + " PeriodicSite: S (13.8, 6.408, 6.104) [0.6795, 0.3155, 0.3005]\n", + " PeriodicSite: S (13.55, 6.09, 16.82) [0.6671, 0.2998, 0.8282]\n", + " PeriodicSite: S (14.56, 16.56, 6.52) [0.717, 0.8154, 0.321]\n", + " PeriodicSite: S (14.09, 16.06, 16.46) [0.6934, 0.7904, 0.8103]\n", + " PeriodicSite: S (6.123, 6.121, 3.933) [0.3014, 0.3013, 0.1936]\n", + " PeriodicSite: S (6.121, 6.095, 13.92) [0.3013, 0.3001, 0.6854]\n", + " PeriodicSite: S (6.512, 16.45, 4.076) [0.3206, 0.8098, 0.2007]\n", + " PeriodicSite: S (6.119, 16.45, 14.07) [0.3012, 0.81, 0.6929]\n", + " PeriodicSite: S (16.56, 6.56, 3.962) [0.8153, 0.323, 0.195]\n", + " PeriodicSite: S (15.92, 6.319, 14.39) [0.7838, 0.3111, 0.7083]\n", + " PeriodicSite: S (16.46, 16.47, 3.857) [0.8101, 0.811, 0.1899]\n", + " PeriodicSite: S (16.64, 16.56, 14.18) [0.8193, 0.8154, 0.698]\n", + " PeriodicSite: S (1.142, 8.991, 5.938) [0.0562, 0.4426, 0.2924]\n", + " PeriodicSite: S (1.163, 8.765, 16.47) [0.05728, 0.4315, 0.8108]\n", + " PeriodicSite: S (1.049, 19.01, 6.05) [0.05162, 0.9358, 0.2978]\n", + " PeriodicSite: S (1.325, 19.13, 16.66) [0.06523, 0.942, 0.8202]\n", + " PeriodicSite: S (11.35, 8.623, 6.125) [0.5585, 0.4245, 0.3015]\n", + " PeriodicSite: S (11.32, 9.368, 16.66) [0.5575, 0.4612, 0.8204]\n", + " PeriodicSite: S (10.95, 19.36, 6.107) [0.5388, 0.9531, 0.3007]\n", + " PeriodicSite: S (11.14, 19.76, 16.4) [0.5484, 0.9726, 0.8072]\n", + " PeriodicSite: S (2.714, 17.6, 2.225) [0.1336, 0.8664, 0.1095]\n", + " PeriodicSite: S (2.544, 17.63, 13.02) [0.1253, 0.868, 0.641]\n", + " PeriodicSite: S (12.54, 7.504, 12.73) [0.6172, 0.3694, 0.6268]\n", + " PeriodicSite: S (12.79, 17.47, 2.859) [0.6296, 0.86, 0.1408]\n", + " PeriodicSite: S (3.471, 4.116, 3.805) [0.1709, 0.2027, 0.1873]\n", + " PeriodicSite: S (3.708, 3.596, 14.09) [0.1825, 0.177, 0.6936]\n", + " PeriodicSite: S (4.129, 14.19, 4.019) [0.2033, 0.6986, 0.1979]\n", + " PeriodicSite: S (4.153, 14.0, 14.05) [0.2045, 0.6892, 0.6915]\n", + " PeriodicSite: S (14.17, 4.27, 3.768) [0.6977, 0.2102, 0.1855]\n", + " PeriodicSite: S (13.72, 3.908, 14.13) [0.6755, 0.1924, 0.6957]\n", + " PeriodicSite: S (13.92, 14.15, 3.905) [0.6855, 0.6968, 0.1923]\n", + " PeriodicSite: S (14.3, 14.25, 13.65) [0.7041, 0.7016, 0.6722]\n", + " PeriodicSite: S (8.409, 1.183, 6.08) [0.414, 0.05824, 0.2993]\n", + " PeriodicSite: S (8.479, 1.52, 16.22) [0.4174, 0.07484, 0.7985]\n", + " PeriodicSite: S (9.15, 11.38, 6.09) [0.4505, 0.5604, 0.2998]\n", + " PeriodicSite: S (9.009, 11.87, 16.49) [0.4435, 0.5842, 0.812]\n", + " PeriodicSite: S (19.12, 1.257, 6.277) [0.9415, 0.06189, 0.3091]\n", + " PeriodicSite: S (18.9, 0.9912, 16.43) [0.9305, 0.04879, 0.809]\n", + " PeriodicSite: S (19.08, 11.48, 6.138) [0.9393, 0.5653, 0.3022]\n", + " PeriodicSite: S (19.3, 11.3, 16.22) [0.95, 0.5561, 0.7986]\n", + " PeriodicSite: S (1.224, 1.451, 4.121) [0.06026, 0.07143, 0.2029]\n", + " PeriodicSite: S (1.076, 1.093, 14.0) [0.05297, 0.05382, 0.6895]\n", + " PeriodicSite: S (1.137, 11.68, 3.913) [0.05596, 0.575, 0.1926]\n", + " PeriodicSite: S (1.287, 11.36, 13.85) [0.06334, 0.5594, 0.6819]\n", + " PeriodicSite: S (11.31, 1.15, 3.743) [0.557, 0.0566, 0.1843]\n", + " PeriodicSite: S (10.71, 1.513, 13.69) [0.5271, 0.07446, 0.6739]\n", + " PeriodicSite: S (11.38, 10.79, 3.522) [0.5603, 0.5314, 0.1734]\n", + " PeriodicSite: S (11.19, 11.44, 14.11) [0.5511, 0.5633, 0.6946]\n", + " PeriodicSite: S (5.86, 4.016, 6.582) [0.2885, 0.1977, 0.324]\n", + " PeriodicSite: S (5.862, 3.855, 16.43) [0.2886, 0.1898, 0.8087]\n", + " PeriodicSite: S (6.512, 14.01, 6.429) [0.3206, 0.6896, 0.3165]\n", + " PeriodicSite: S (6.213, 14.38, 16.68) [0.3059, 0.708, 0.8212]\n", + " PeriodicSite: S (16.27, 4.2, 6.192) [0.8008, 0.2068, 0.3048]\n", + " PeriodicSite: S (16.08, 3.879, 16.7) [0.7917, 0.1909, 0.822]\n", + " PeriodicSite: S (16.58, 13.94, 5.97) [0.8165, 0.6863, 0.2939]\n", + " PeriodicSite: S (16.79, 14.12, 16.28) [0.8267, 0.6953, 0.8017]\n", + " PeriodicSite: S (7.366, 2.536, 12.53) [0.3626, 0.1248, 0.6167]\n", + " PeriodicSite: S (7.349, 12.47, 2.012) [0.3618, 0.6139, 0.09907]\n", + " PeriodicSite: S (17.95, 2.516, 2.57) [0.8836, 0.1239, 0.1265]\n", + " PeriodicSite: S (17.87, 12.55, 2.511) [0.8796, 0.6177, 0.1236]\n", + " PeriodicSite: S (17.73, 12.63, 12.49) [0.8727, 0.622, 0.6149]\n", + " PeriodicSite: S (3.835, 8.684, 9.103) [0.1888, 0.4275, 0.4481]\n", + " PeriodicSite: S (3.406, 9.04, 19.23) [0.1677, 0.4451, 0.9465]\n", + " PeriodicSite: S (3.947, 18.7, 8.83) [0.1943, 0.9205, 0.4347]\n", + " PeriodicSite: S (3.831, 19.64, 19.04) [0.1886, 0.9669, 0.9376]\n", + " PeriodicSite: S (14.26, 8.854, 8.713) [0.7018, 0.4359, 0.429]\n", + " PeriodicSite: S (13.77, 9.692, 18.79) [0.678, 0.4771, 0.9251]\n", + " PeriodicSite: S (14.05, 19.36, 9.228) [0.6919, 0.9531, 0.4543]\n", + " PeriodicSite: S (13.83, 19.59, 19.21) [0.6808, 0.9643, 0.9457]\n", + " PeriodicSite: S (9.611, 5.303, 1.886) [0.4732, 0.2611, 0.09283]\n", + " PeriodicSite: S (8.733, 6.154, 10.86) [0.43, 0.303, 0.5344]\n", + " PeriodicSite: S (9.001, 16.71, 1.366) [0.4431, 0.8225, 0.06724]\n", + " PeriodicSite: S (9.03, 16.54, 11.77) [0.4446, 0.8142, 0.5793]\n", + " PeriodicSite: S (19.32, 6.146, 1.444) [0.9514, 0.3025, 0.07109]\n", + " PeriodicSite: S (19.44, 5.955, 11.31) [0.9571, 0.2932, 0.557]\n", + " PeriodicSite: S (19.3, 16.65, 1.004) [0.9501, 0.8197, 0.04944]\n", + " PeriodicSite: S (19.12, 15.82, 11.43) [0.9414, 0.7789, 0.5626]\n", + " PeriodicSite: S (1.439, 6.042, 9.225) [0.07082, 0.2975, 0.4542]\n", + " PeriodicSite: S (0.9253, 6.302, 19.04) [0.04556, 0.3102, 0.9373]\n", + " PeriodicSite: S (1.136, 15.95, 8.729) [0.05594, 0.7854, 0.4297]\n", + " PeriodicSite: S (1.223, 16.39, 18.95) [0.06022, 0.807, 0.9327]\n", + " PeriodicSite: S (11.32, 5.987, 9.012) [0.5574, 0.2948, 0.4437]\n", + " PeriodicSite: S (11.28, 6.476, 19.42) [0.5556, 0.3188, 0.9558]\n", + " PeriodicSite: S (11.4, 16.47, 9.085) [0.5611, 0.8109, 0.4473]\n", + " PeriodicSite: S (11.33, 16.47, 19.38) [0.5577, 0.8107, 0.9542]\n", + " PeriodicSite: S (5.89, 8.885, 1.217) [0.29, 0.4374, 0.05994]\n", + " PeriodicSite: S (6.432, 9.058, 11.24) [0.3166, 0.4459, 0.5534]\n", + " PeriodicSite: S (6.017, 19.35, 1.27) [0.2962, 0.9527, 0.0625]\n", + " PeriodicSite: S (6.144, 18.64, 11.25) [0.3025, 0.9178, 0.5539]\n", + " PeriodicSite: S (15.89, 9.221, 1.083) [0.7825, 0.454, 0.0533]\n", + " PeriodicSite: S (16.19, 8.768, 11.45) [0.7969, 0.4316, 0.5637]\n", + " PeriodicSite: S (16.38, 19.29, 1.201) [0.8064, 0.9495, 0.05914]\n", + " PeriodicSite: S (16.42, 19.17, 11.8) [0.8086, 0.9437, 0.5808]\n", + " PeriodicSite: S (7.582, 7.749, 17.58) [0.3733, 0.3815, 0.8656]\n", + " PeriodicSite: S (7.561, 17.51, 7.643) [0.3722, 0.8621, 0.3763]\n", + " PeriodicSite: S (17.92, 7.867, 7.772) [0.8822, 0.3873, 0.3826]\n", + " PeriodicSite: S (17.91, 17.78, 7.607) [0.882, 0.8751, 0.3745]\n", + " PeriodicSite: P (4.978, 0.377, 0.09889) [0.2451, 0.01856, 0.00487]\n", + " PeriodicSite: P (5.167, 19.88, 9.997) [0.2544, 0.9788, 0.4922]\n", + " PeriodicSite: P (4.714, 10.16, 20.29) [0.2321, 0.5001, 0.9991]\n", + " PeriodicSite: P (5.035, 10.04, 10.1) [0.2479, 0.4943, 0.4973]\n", + " PeriodicSite: P (15.34, 0.2442, 20.3) [0.7553, 0.01202, 0.9995]\n", + " PeriodicSite: P (15.38, 0.1256, 10.55) [0.7571, 0.006177, 0.5193]\n", + " PeriodicSite: P (15.02, 10.58, 20.09) [0.7393, 0.5209, 0.9892]\n", + " PeriodicSite: P (15.19, 10.08, 10.29) [0.7478, 0.4961, 0.5066]\n", + " PeriodicSite: P (4.854, 5.055, 5.068) [0.239, 0.2488, 0.2495]\n", + " PeriodicSite: P (4.888, 5.002, 15.08) [0.2406, 0.2463, 0.7424]\n", + " PeriodicSite: P (5.351, 15.3, 5.291) [0.2634, 0.7532, 0.2605]\n", + " PeriodicSite: P (4.981, 15.38, 15.28) [0.2452, 0.757, 0.7525]\n", + " PeriodicSite: P (15.29, 5.522, 5.037) [0.7525, 0.2719, 0.248]\n", + " PeriodicSite: P (14.83, 4.95, 15.54) [0.7302, 0.2437, 0.7649]\n", + " PeriodicSite: P (15.3, 15.34, 4.996) [0.7531, 0.7551, 0.246]\n", + " PeriodicSite: P (15.39, 15.19, 15.21) [0.7578, 0.748, 0.7487]\n", + " PeriodicSite: P (20.15, 0.1118, 4.929) [0.9921, 0.005497, 0.2426]\n", + " PeriodicSite: P (0.1047, 20.29, 15.3) [0.005151, 0.9991, 0.7534]\n", + " PeriodicSite: P (20.23, 10.37, 4.993) [0.9959, 0.5104, 0.2458]\n", + " PeriodicSite: P (0.2106, 10.03, 15.08) [0.01037, 0.4937, 0.7425]\n", + " PeriodicSite: P (9.815, 0.04313, 4.802) [0.4832, 0.002119, 0.2364]\n", + " PeriodicSite: P (9.777, 0.2972, 15.04) [0.4813, 0.01463, 0.7405]\n", + " PeriodicSite: P (10.2, 9.923, 4.992) [0.5023, 0.4885, 0.2458]\n", + " PeriodicSite: P (10.04, 10.48, 15.52) [0.4945, 0.5159, 0.764]\n", + " PeriodicSite: P (20.28, 5.065, 0.05106) [0.9984, 0.2494, 0.00252]\n", + " PeriodicSite: P (0.08591, 4.703, 9.939) [0.00423, 0.2316, 0.4893]\n", + " PeriodicSite: P (0.005818, 15.34, 20.17) [0.0002849, 0.755, 0.9929]\n", + " PeriodicSite: P (20.19, 14.85, 9.925) [0.9941, 0.7309, 0.4886]\n", + " PeriodicSite: P (10.62, 4.832, 0.1436) [0.523, 0.2379, 0.007074]\n", + " PeriodicSite: P (9.969, 4.857, 9.921) [0.4908, 0.2391, 0.4884]\n", + " PeriodicSite: P (9.872, 15.34, 0.1496) [0.486, 0.7551, 0.007367]\n", + " PeriodicSite: P (10.23, 15.4, 10.6) [0.5036, 0.758, 0.5217],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.893, 5.893, 4.301) [0.09318, 0.2901, 0.2117]\n", + " PeriodicSite: Li (1.813, 3.432, 15.45) [0.08925, 0.169, 0.7605]\n", + " PeriodicSite: Li (0.4497, 12.7, 7.583) [0.02213, 0.6253, 0.3733]\n", + " PeriodicSite: Li (0.9015, 14.56, 17.21) [0.04438, 0.7166, 0.8473]\n", + " PeriodicSite: Li (13.96, 20.06, 6.973) [0.6871, 0.9878, 0.3433]\n", + " PeriodicSite: Li (12.16, 4.56, 15.76) [0.5988, 0.2245, 0.7759]\n", + " PeriodicSite: Li (13.94, 11.47, 3.321) [0.6865, 0.5644, 0.1635]\n", + " PeriodicSite: Li (17.08, 8.698, 15.54) [0.841, 0.4282, 0.7649]\n", + " PeriodicSite: Li (3.687, 4.535, 8.416) [0.1815, 0.2233, 0.4143]\n", + " PeriodicSite: Li (0.7512, 2.62, 19.76) [0.03698, 0.129, 0.9727]\n", + " PeriodicSite: Li (4.534, 7.637, 3.776) [0.2232, 0.376, 0.1859]\n", + " PeriodicSite: Li (6.794, 9.72, 17.04) [0.3345, 0.4785, 0.8387]\n", + " PeriodicSite: Li (12.82, 4.499, 6.631) [0.631, 0.2215, 0.3265]\n", + " PeriodicSite: Li (12.34, 1.627, 20.11) [0.6073, 0.0801, 0.99]\n", + " PeriodicSite: Li (10.75, 9.598, 12.29) [0.5291, 0.4725, 0.6052]\n", + " PeriodicSite: Li (10.51, 19.32, 18.22) [0.5173, 0.9514, 0.8969]\n", + " PeriodicSite: Li (5.109, 1.606, 6.933) [0.2515, 0.07905, 0.3413]\n", + " PeriodicSite: Li (2.883, 19.51, 14.35) [0.1419, 0.9605, 0.7066]\n", + " PeriodicSite: Li (3.002, 9.735, 6.768) [0.1478, 0.4793, 0.3332]\n", + " PeriodicSite: Li (6.445, 10.37, 13.67) [0.3173, 0.5106, 0.6731]\n", + " PeriodicSite: Li (12.62, 0.8345, 9.723) [0.6213, 0.04108, 0.4787]\n", + " PeriodicSite: Li (10.12, 2.341, 18.11) [0.4982, 0.1152, 0.8918]\n", + " PeriodicSite: Li (13.63, 15.54, 8.908) [0.671, 0.7649, 0.4385]\n", + " PeriodicSite: Li (11.77, 11.24, 18.66) [0.5795, 0.5535, 0.9189]\n", + " PeriodicSite: Li (0.406, 2.965, 6.866) [0.01999, 0.146, 0.338]\n", + " PeriodicSite: Li (0.3755, 4.414, 17.51) [0.01849, 0.2173, 0.8618]\n", + " PeriodicSite: Li (2.398, 14.42, 6.076) [0.118, 0.7098, 0.2991]\n", + " PeriodicSite: Li (3.715, 15.18, 18.39) [0.1829, 0.7475, 0.9052]\n", + " PeriodicSite: Li (13.46, 2.148, 5.402) [0.6627, 0.1057, 0.266]\n", + " PeriodicSite: Li (14.64, 1.627, 17.11) [0.7209, 0.08011, 0.8424]\n", + " PeriodicSite: Li (10.94, 12.41, 9.81) [0.5385, 0.6112, 0.483]\n", + " PeriodicSite: Li (16.82, 17.24, 20.04) [0.8282, 0.8485, 0.9865]\n", + " PeriodicSite: Li (6.99, 0.8215, 4.114) [0.3441, 0.04044, 0.2026]\n", + " PeriodicSite: Li (0.01617, 17.93, 2.593) [0.0007887, 0.8827, 0.1276]\n", + " PeriodicSite: Li (3.029, 14.15, 9.477) [0.1491, 0.6969, 0.4666]\n", + " PeriodicSite: Li (1.671, 17.04, 14.87) [0.08224, 0.8389, 0.7321]\n", + " PeriodicSite: Li (15.33, 3.029, 8.171) [0.7545, 0.1491, 0.4023]\n", + " PeriodicSite: Li (13.78, 4.537, 19.04) [0.6786, 0.2234, 0.9376]\n", + " PeriodicSite: Li (16.95, 15.65, 8.265) [0.8344, 0.7706, 0.4069]\n", + " PeriodicSite: Li (9.944, 13.7, 17.11) [0.4896, 0.6743, 0.8425]\n", + " PeriodicSite: Li (3.553, 1.662, 3.728) [0.1749, 0.08181, 0.1835]\n", + " PeriodicSite: Li (2.212, 0.6526, 17.71) [0.1089, 0.03213, 0.8719]\n", + " PeriodicSite: Li (4.674, 11.77, 6.029) [0.2301, 0.5796, 0.2968]\n", + " PeriodicSite: Li (18.99, 13.43, 4.594) [0.9351, 0.6613, 0.2262]\n", + " PeriodicSite: Li (10.65, 1.866, 7.55) [0.5245, 0.09185, 0.3717]\n", + " PeriodicSite: Li (17.3, 19.94, 15.61) [0.8519, 0.9817, 0.7686]\n", + " PeriodicSite: Li (13.74, 8.861, 6.49) [0.6765, 0.4362, 0.3195]\n", + " PeriodicSite: Li (14.43, 8.457, 17.08) [0.7106, 0.4163, 0.8406]\n", + " PeriodicSite: Li (3.151, 11.93, 15.25) [0.1551, 0.5873, 0.7508]\n", + " PeriodicSite: Li (2.079, 11.3, 9.69) [0.1024, 0.5563, 0.4771]\n", + " PeriodicSite: Li (1.275, 15.53, 3.042) [0.06278, 0.7647, 0.1498]\n", + " PeriodicSite: Li (2.252, 1.512, 10.08) [0.1109, 0.07442, 0.4961]\n", + " PeriodicSite: Li (12.1, 5.827, 3.902) [0.5957, 0.2869, 0.1921]\n", + " PeriodicSite: Li (11.54, 7.356, 14.8) [0.5683, 0.3621, 0.7285]\n", + " PeriodicSite: Li (11.34, 12.89, 5.669) [0.5582, 0.6344, 0.2791]\n", + " PeriodicSite: Li (12.85, 0.2534, 14.41) [0.6324, 0.01247, 0.7096]\n", + " PeriodicSite: Li (3.132, 6.622, 0.3134) [0.1542, 0.326, 0.01543]\n", + " PeriodicSite: Li (2.737, 5.132, 11.5) [0.1348, 0.2526, 0.5663]\n", + " PeriodicSite: Li (6.87, 16.88, 20.08) [0.3382, 0.8308, 0.9886]\n", + " PeriodicSite: Li (4.367, 18.76, 16.88) [0.215, 0.9235, 0.8308]\n", + " PeriodicSite: Li (13.98, 5.106, 1.922) [0.6882, 0.2514, 0.09462]\n", + " PeriodicSite: Li (10.86, 5.844, 12.52) [0.5348, 0.2877, 0.6163]\n", + " PeriodicSite: Li (12.29, 17.23, 4.924) [0.6052, 0.8482, 0.2424]\n", + " PeriodicSite: Li (10.54, 17.12, 13.88) [0.5191, 0.8428, 0.6833]\n", + " PeriodicSite: Li (3.843, 10.4, 17.37) [0.1892, 0.5119, 0.855]\n", + " PeriodicSite: Li (5.306, 7.013, 10.95) [0.2612, 0.3453, 0.5391]\n", + " PeriodicSite: Li (4.769, 16.24, 2.351) [0.2348, 0.7996, 0.1157]\n", + " PeriodicSite: Li (2.188, 17.79, 10.32) [0.1077, 0.876, 0.508]\n", + " PeriodicSite: Li (10.65, 8.022, 1.373) [0.5244, 0.3949, 0.0676]\n", + " PeriodicSite: Li (14.47, 5.808, 12.56) [0.7123, 0.2859, 0.6183]\n", + " PeriodicSite: Li (11.35, 15.77, 2.758) [0.5586, 0.7762, 0.1358]\n", + " PeriodicSite: Li (13.94, 15.44, 12.16) [0.6864, 0.76, 0.5988]\n", + " PeriodicSite: Li (0.3355, 8.644, 1.465) [0.01652, 0.4255, 0.0721]\n", + " PeriodicSite: Li (17.32, 6.033, 9.739) [0.8528, 0.297, 0.4795]\n", + " PeriodicSite: Li (2.964, 18.38, 5.012) [0.1459, 0.9048, 0.2467]\n", + " PeriodicSite: Li (0.3101, 18.62, 12.07) [0.01526, 0.9169, 0.5943]\n", + " PeriodicSite: Li (9.854, 7.046, 5.915) [0.4851, 0.3469, 0.2912]\n", + " PeriodicSite: Li (13.1, 10.82, 15.42) [0.6448, 0.5329, 0.7593]\n", + " PeriodicSite: Li (14.52, 15.91, 2.414) [0.7146, 0.7832, 0.1188]\n", + " PeriodicSite: Li (12.55, 14.3, 15.6) [0.6181, 0.7038, 0.7681]\n", + " PeriodicSite: Li (6.983, 7.809, 5.538) [0.3438, 0.3845, 0.2726]\n", + " PeriodicSite: Li (20.18, 11.7, 12.22) [0.9934, 0.576, 0.6016]\n", + " PeriodicSite: Li (18.85, 17.2, 6.058) [0.9279, 0.847, 0.2982]\n", + " PeriodicSite: Li (6.585, 18.37, 14.96) [0.3242, 0.9046, 0.7364]\n", + " PeriodicSite: Li (17.03, 11.22, 4.226) [0.8384, 0.5523, 0.2081]\n", + " PeriodicSite: Li (13.05, 6.566, 10.44) [0.6427, 0.3233, 0.5142]\n", + " PeriodicSite: Li (13.47, 17.19, 0.309) [0.663, 0.8464, 0.01522]\n", + " PeriodicSite: Li (12.0, 18.62, 10.81) [0.5908, 0.9169, 0.5322]\n", + " PeriodicSite: Li (3.838, 2.926, 19.39) [0.1889, 0.144, 0.9545]\n", + " PeriodicSite: Li (3.306, 9.719, 13.04) [0.1627, 0.4785, 0.642]\n", + " PeriodicSite: Li (4.166, 19.53, 2.675) [0.2051, 0.9617, 0.1317]\n", + " PeriodicSite: Li (0.5623, 15.29, 12.76) [0.02768, 0.7527, 0.6284]\n", + " PeriodicSite: Li (15.18, 8.783, 3.491) [0.7476, 0.4324, 0.1719]\n", + " PeriodicSite: Li (14.28, 8.938, 13.14) [0.7032, 0.44, 0.647]\n", + " PeriodicSite: Li (12.88, 19.73, 3.937) [0.6343, 0.9715, 0.1938]\n", + " PeriodicSite: Li (19.25, 4.06, 13.43) [0.9475, 0.1999, 0.6611]\n", + " PeriodicSite: Li (9.983, 2.754, 2.449) [0.4915, 0.1356, 0.1206]\n", + " PeriodicSite: Li (9.489, 1.782, 11.66) [0.4672, 0.08775, 0.5741]\n", + " PeriodicSite: Li (6.02, 10.47, 2.999) [0.2964, 0.5156, 0.1477]\n", + " PeriodicSite: Li (5.735, 12.75, 14.82) [0.2824, 0.6278, 0.7295]\n", + " PeriodicSite: Li (18.39, 3.492, 4.794) [0.9053, 0.1719, 0.236]\n", + " PeriodicSite: Li (13.1, 3.862, 9.538) [0.6447, 0.1901, 0.4695]\n", + " PeriodicSite: Li (20.17, 12.39, 1.927) [0.9932, 0.61, 0.09489]\n", + " PeriodicSite: Li (17.83, 10.19, 13.21) [0.8776, 0.5017, 0.6505]\n", + " PeriodicSite: Li (6.008, 18.88, 6.785) [0.2958, 0.9294, 0.334]\n", + " PeriodicSite: Li (9.083, 3.069, 14.21) [0.4472, 0.1511, 0.6996]\n", + " PeriodicSite: Li (6.617, 13.56, 19.61) [0.3257, 0.6676, 0.9655]\n", + " PeriodicSite: Li (9.423, 13.6, 13.6) [0.4639, 0.6697, 0.6694]\n", + " PeriodicSite: Li (14.99, 18.52, 3.057) [0.738, 0.9116, 0.1505]\n", + " PeriodicSite: Li (18.55, 0.837, 12.39) [0.9133, 0.0412, 0.6098]\n", + " PeriodicSite: Li (17.41, 15.17, 2.39) [0.8571, 0.7469, 0.1177]\n", + " PeriodicSite: Li (17.25, 14.82, 12.25) [0.8491, 0.7297, 0.6029]\n", + " PeriodicSite: Li (8.41, 3.797, 5.785) [0.414, 0.1869, 0.2848]\n", + " PeriodicSite: Li (6.142, 0.356, 12.86) [0.3024, 0.01752, 0.6332]\n", + " PeriodicSite: Li (9.75, 11.85, 1.995) [0.48, 0.5834, 0.0982]\n", + " PeriodicSite: Li (5.676, 13.12, 11.62) [0.2794, 0.6458, 0.5722]\n", + " PeriodicSite: Li (19.99, 3.261, 2.723) [0.984, 0.1605, 0.1341]\n", + " PeriodicSite: Li (0.3444, 7.989, 11.67) [0.01695, 0.3933, 0.5748]\n", + " PeriodicSite: Li (16.35, 13.49, 0.4828) [0.8051, 0.6642, 0.02377]\n", + " PeriodicSite: Li (15.73, 11.93, 13.26) [0.7742, 0.5872, 0.6527]\n", + " PeriodicSite: Li (2.813, 0.311, 6.83) [0.1385, 0.01531, 0.3362]\n", + " PeriodicSite: Li (6.781, 1.95, 14.86) [0.3339, 0.09602, 0.7318]\n", + " PeriodicSite: Li (5.052, 13.31, 1.347) [0.2487, 0.6554, 0.06631]\n", + " PeriodicSite: Li (8.206, 7.047, 15.52) [0.404, 0.3469, 0.7641]\n", + " PeriodicSite: Li (17.31, 5.11, 2.03) [0.8524, 0.2515, 0.09995]\n", + " PeriodicSite: Li (15.0, 19.03, 13.58) [0.7387, 0.9369, 0.6683]\n", + " PeriodicSite: Li (13.48, 14.11, 20.1) [0.6637, 0.6944, 0.9896]\n", + " PeriodicSite: Li (17.6, 12.74, 10.46) [0.8663, 0.6274, 0.5151]\n", + " PeriodicSite: Li (7.565, 4.555, 0.7641) [0.3724, 0.2242, 0.03762]\n", + " PeriodicSite: Li (4.945, 3.109, 12.05) [0.2435, 0.1531, 0.5933]\n", + " PeriodicSite: Li (7.741, 10.68, 0.4121) [0.3811, 0.5256, 0.02029]\n", + " PeriodicSite: Li (8.011, 10.8, 10.39) [0.3944, 0.5319, 0.5115]\n", + " PeriodicSite: Li (15.64, 1.231, 2.885) [0.7699, 0.06059, 0.142]\n", + " PeriodicSite: Li (15.84, 2.92, 11.2) [0.7797, 0.1437, 0.5516]\n", + " PeriodicSite: Li (0.4733, 10.92, 18.2) [0.0233, 0.5378, 0.8959]\n", + " PeriodicSite: Li (19.06, 13.06, 14.63) [0.9382, 0.6432, 0.7201]\n", + " PeriodicSite: Li (8.039, 0.717, 0.4554) [0.3958, 0.0353, 0.02242]\n", + " PeriodicSite: Li (6.596, 2.825, 10.21) [0.3247, 0.1391, 0.5027]\n", + " PeriodicSite: Li (7.787, 12.26, 4.702) [0.3834, 0.6035, 0.2315]\n", + " PeriodicSite: Li (3.475, 15.77, 12.51) [0.1711, 0.7765, 0.616]\n", + " PeriodicSite: Li (16.2, 3.018, 0.3549) [0.7978, 0.1486, 0.01748]\n", + " PeriodicSite: Li (1.656, 6.993, 14.69) [0.08151, 0.3443, 0.7232]\n", + " PeriodicSite: Li (5.219, 13.72, 8.124) [0.2569, 0.6752, 0.3999]\n", + " PeriodicSite: Li (14.45, 12.92, 9.543) [0.7111, 0.6359, 0.4698]\n", + " PeriodicSite: Li (14.44, 12.63, 6.05) [0.7107, 0.6215, 0.2978]\n", + " PeriodicSite: Li (5.172, 8.001, 15.78) [0.2546, 0.3939, 0.777]\n", + " PeriodicSite: Li (7.547, 15.27, 9.947) [0.3716, 0.7519, 0.4897]\n", + " PeriodicSite: Li (1.862, 18.5, 0.2794) [0.09166, 0.9105, 0.01376]\n", + " PeriodicSite: Li (16.72, 9.877, 6.988) [0.8232, 0.4862, 0.3441]\n", + " PeriodicSite: Li (3.208, 5.235, 18.07) [0.1579, 0.2577, 0.8897]\n", + " PeriodicSite: Li (17.43, 0.4674, 4.29) [0.8581, 0.023, 0.2112]\n", + " PeriodicSite: Li (18.64, 19.7, 18.43) [0.9178, 0.9697, 0.9071]\n", + " PeriodicSite: Li (6.989, 9.798, 7.6) [0.3441, 0.4823, 0.3742]\n", + " PeriodicSite: Li (6.579, 5.413, 17.92) [0.3239, 0.2665, 0.8823]\n", + " PeriodicSite: Li (8.593, 20.25, 8.032) [0.423, 0.9971, 0.3954]\n", + " PeriodicSite: Li (8.148, 15.99, 16.77) [0.4011, 0.7872, 0.8256]\n", + " PeriodicSite: Li (18.23, 9.443, 9.833) [0.8973, 0.4649, 0.4841]\n", + " PeriodicSite: Li (17.24, 7.835, 20.08) [0.8487, 0.3857, 0.9884]\n", + " PeriodicSite: Li (17.9, 20.06, 8.541) [0.8814, 0.9876, 0.4205]\n", + " PeriodicSite: Li (18.57, 15.81, 16.91) [0.9143, 0.7786, 0.8327]\n", + " PeriodicSite: Li (7.45, 5.085, 8.779) [0.3668, 0.2503, 0.4322]\n", + " PeriodicSite: Li (4.013, 2.301, 15.84) [0.1976, 0.1133, 0.7798]\n", + " PeriodicSite: Li (9.172, 18.23, 9.594) [0.4515, 0.8975, 0.4723]\n", + " PeriodicSite: Li (16.42, 11.62, 16.62) [0.8084, 0.5718, 0.8182]\n", + " PeriodicSite: Li (20.13, 7.412, 8.484) [0.9911, 0.3649, 0.4177]\n", + " PeriodicSite: Li (17.05, 5.49, 18.67) [0.8392, 0.2703, 0.9189]\n", + " PeriodicSite: Li (16.58, 17.34, 10.37) [0.8163, 0.8537, 0.5107]\n", + " PeriodicSite: Li (15.7, 15.29, 17.94) [0.7732, 0.7528, 0.8831]\n", + " PeriodicSite: Li (10.22, 7.987, 8.747) [0.5031, 0.3932, 0.4306]\n", + " PeriodicSite: Li (4.427, 4.644, 2.075) [0.218, 0.2286, 0.1022]\n", + " PeriodicSite: Li (5.504, 16.8, 8.505) [0.271, 0.8273, 0.4187]\n", + " PeriodicSite: Li (7.854, 14.59, 2.531) [0.3866, 0.7183, 0.1246]\n", + " PeriodicSite: Li (15.08, 6.663, 8.266) [0.7424, 0.328, 0.4069]\n", + " PeriodicSite: Li (20.0, 7.823, 17.62) [0.9847, 0.3851, 0.8673]\n", + " PeriodicSite: Li (16.2, 18.35, 6.148) [0.7974, 0.9033, 0.3027]\n", + " PeriodicSite: Li (15.09, 18.82, 17.09) [0.7427, 0.9266, 0.8416]\n", + " PeriodicSite: Li (7.23, 4.879, 11.98) [0.356, 0.2402, 0.5898]\n", + " PeriodicSite: Li (5.894, 7.456, 19.54) [0.2902, 0.3671, 0.9621]\n", + " PeriodicSite: Li (8.347, 17.17, 5.47) [0.4109, 0.8451, 0.2693]\n", + " PeriodicSite: Li (10.64, 18.68, 2.191) [0.5236, 0.9195, 0.1079]\n", + " PeriodicSite: Li (17.98, 7.813, 5.244) [0.8851, 0.3846, 0.2582]\n", + " PeriodicSite: Li (13.67, 7.289, 0.1276) [0.6728, 0.3588, 0.006287]\n", + " PeriodicSite: Li (19.49, 17.66, 9.133) [0.9597, 0.8692, 0.4496]\n", + " PeriodicSite: Li (18.61, 0.6612, 1.702) [0.9164, 0.03254, 0.08379]\n", + " PeriodicSite: Li (3.257, 9.895, 3.652) [0.1604, 0.4872, 0.1798]\n", + " PeriodicSite: Li (9.255, 8.094, 17.92) [0.4557, 0.3985, 0.882]\n", + " PeriodicSite: Li (9.602, 15.7, 7.458) [0.4727, 0.7728, 0.3672]\n", + " PeriodicSite: Li (6.525, 0.3768, 16.94) [0.3212, 0.01855, 0.8339]\n", + " PeriodicSite: Li (18.48, 5.394, 7.099) [0.9099, 0.2655, 0.3495]\n", + " PeriodicSite: Li (18.02, 10.73, 1.36) [0.8872, 0.5284, 0.06695]\n", + " PeriodicSite: Li (2.854, 15.95, 0.6934) [0.1405, 0.7852, 0.03414]\n", + " PeriodicSite: Li (16.48, 1.936, 15.11) [0.8115, 0.09533, 0.744]\n", + " PeriodicSite: Cl (7.411, 12.6, 13.03) [0.3648, 0.6203, 0.6415]\n", + " PeriodicSite: Cl (2.27, 12.4, 17.64) [0.1117, 0.6103, 0.8682]\n", + " PeriodicSite: Cl (12.92, 18.33, 12.89) [0.6361, 0.9022, 0.6347]\n", + " PeriodicSite: Cl (17.72, 7.693, 17.82) [0.8723, 0.3787, 0.8774]\n", + " PeriodicSite: Cl (7.673, 2.368, 2.292) [0.3778, 0.1166, 0.1128]\n", + " PeriodicSite: Cl (8.033, 7.235, 7.442) [0.3955, 0.3562, 0.3664]\n", + " PeriodicSite: Cl (12.79, 13.52, 7.503) [0.6294, 0.6658, 0.3694]\n", + " PeriodicSite: Cl (2.628, 7.883, 2.395) [0.1294, 0.3881, 0.1179]\n", + " PeriodicSite: Cl (2.792, 7.471, 12.76) [0.1374, 0.3678, 0.6281]\n", + " PeriodicSite: Cl (12.08, 13.24, 17.6) [0.5947, 0.6519, 0.8663]\n", + " PeriodicSite: Cl (17.13, 17.61, 17.82) [0.8435, 0.8667, 0.8772]\n", + " PeriodicSite: Cl (2.838, 2.395, 7.661) [0.1397, 0.1179, 0.3771]\n", + " PeriodicSite: Cl (12.44, 2.703, 17.77) [0.6122, 0.1331, 0.8749]\n", + " PeriodicSite: Cl (12.93, 7.418, 2.343) [0.6367, 0.3652, 0.1153]\n", + " PeriodicSite: Cl (17.47, 2.777, 13.22) [0.8599, 0.1367, 0.651]\n", + " PeriodicSite: Cl (7.181, 18.2, 17.79) [0.3535, 0.896, 0.8759]\n", + " PeriodicSite: Cl (20.01, 20.22, 20.13) [0.9852, 0.9957, 0.9911]\n", + " PeriodicSite: Cl (0.4624, 19.85, 9.878) [0.02276, 0.9773, 0.4863]\n", + " PeriodicSite: Cl (19.8, 10.13, 0.02498) [0.9749, 0.4989, 0.001236]\n", + " PeriodicSite: Cl (0.1501, 9.853, 10.28) [0.00739, 0.4851, 0.5059]\n", + " PeriodicSite: Cl (10.25, 0.05724, 20.25) [0.5046, 0.002815, 0.9968]\n", + " PeriodicSite: Cl (10.31, 0.2329, 9.42) [0.5078, 0.01146, 0.4638]\n", + " PeriodicSite: Cl (9.755, 10.26, 20.28) [0.4802, 0.5049, 0.9985]\n", + " PeriodicSite: Cl (10.29, 10.17, 10.05) [0.5067, 0.5008, 0.4948]\n", + " PeriodicSite: Cl (20.12, 4.848, 5.24) [0.9907, 0.2387, 0.258]\n", + " PeriodicSite: Cl (20.29, 5.427, 15.32) [0.9987, 0.2672, 0.7544]\n", + " PeriodicSite: Cl (0.3552, 15.13, 5.194) [0.01748, 0.7447, 0.2557]\n", + " PeriodicSite: Cl (20.18, 15.48, 15.29) [0.9935, 0.7622, 0.753]\n", + " PeriodicSite: Cl (10.43, 5.135, 5.3) [0.5132, 0.2528, 0.2609]\n", + " PeriodicSite: Cl (10.01, 5.432, 14.96) [0.4926, 0.2674, 0.7363]\n", + " PeriodicSite: Cl (10.27, 15.25, 5.002) [0.5056, 0.7509, 0.2463]\n", + " PeriodicSite: Cl (10.43, 15.11, 15.19) [0.5136, 0.7438, 0.7477]\n", + " PeriodicSite: S (4.743, 0.04287, 5.022) [0.2335, 0.002109, 0.2472]\n", + " PeriodicSite: S (4.927, 0.3198, 15.17) [0.2426, 0.01574, 0.7468]\n", + " PeriodicSite: S (5.206, 9.545, 5.23) [0.2563, 0.4699, 0.2575]\n", + " PeriodicSite: S (4.899, 10.37, 15.34) [0.2412, 0.5106, 0.7551]\n", + " PeriodicSite: S (15.0, 0.2185, 4.804) [0.7383, 0.01075, 0.2365]\n", + " PeriodicSite: S (15.09, 0.2686, 15.28) [0.7429, 0.01322, 0.7521]\n", + " PeriodicSite: S (14.99, 10.3, 5.225) [0.7379, 0.507, 0.2572]\n", + " PeriodicSite: S (15.17, 10.06, 15.27) [0.7468, 0.4953, 0.7519]\n", + " PeriodicSite: S (5.214, 5.185, 19.89) [0.2567, 0.2552, 0.9792]\n", + " PeriodicSite: S (5.134, 4.68, 10.28) [0.2527, 0.2304, 0.5061]\n", + " PeriodicSite: S (4.982, 15.24, 0.1442) [0.2453, 0.7501, 0.007099]\n", + " PeriodicSite: S (5.247, 14.99, 10.21) [0.2583, 0.7381, 0.5025]\n", + " PeriodicSite: S (15.57, 5.38, 0.1194) [0.7666, 0.2649, 0.005885]\n", + " PeriodicSite: S (15.08, 5.067, 10.02) [0.7426, 0.2494, 0.4932]\n", + " PeriodicSite: S (15.24, 15.43, 0.1065) [0.7504, 0.7597, 0.005251]\n", + " PeriodicSite: S (15.55, 15.04, 10.21) [0.7653, 0.7402, 0.5026]\n", + " PeriodicSite: S (8.837, 3.407, 8.911) [0.4351, 0.1677, 0.4387]\n", + " PeriodicSite: S (9.245, 3.833, 19.61) [0.4551, 0.1887, 0.9654]\n", + " PeriodicSite: S (9.5, 14.03, 9.151) [0.4677, 0.6906, 0.4505]\n", + " PeriodicSite: S (8.658, 14.78, 19.04) [0.4263, 0.7278, 0.9376]\n", + " PeriodicSite: S (18.99, 3.859, 8.9) [0.935, 0.19, 0.4382]\n", + " PeriodicSite: S (19.25, 4.202, 19.38) [0.9478, 0.2069, 0.9543]\n", + " PeriodicSite: S (19.05, 13.84, 8.604) [0.9378, 0.6813, 0.4236]\n", + " PeriodicSite: S (19.18, 14.2, 18.85) [0.944, 0.699, 0.9282]\n", + " PeriodicSite: S (3.571, 1.346, 1.238) [0.1758, 0.06626, 0.06093]\n", + " PeriodicSite: S (4.014, 0.7811, 11.28) [0.1976, 0.03845, 0.5554]\n", + " PeriodicSite: S (3.501, 10.99, 1.325) [0.1724, 0.5408, 0.06523]\n", + " PeriodicSite: S (3.885, 11.48, 11.49) [0.1912, 0.565, 0.5655]\n", + " PeriodicSite: S (14.52, 1.675, 0.9708) [0.7148, 0.08243, 0.0478]\n", + " PeriodicSite: S (14.12, 1.416, 11.65) [0.6951, 0.06971, 0.5737]\n", + " PeriodicSite: S (13.96, 12.07, 1.124) [0.6873, 0.5941, 0.05535]\n", + " PeriodicSite: S (14.01, 10.88, 11.55) [0.6899, 0.5359, 0.5684]\n", + " PeriodicSite: S (6.436, 1.023, 8.865) [0.3168, 0.05035, 0.4364]\n", + " PeriodicSite: S (6.171, 1.451, 19.22) [0.3038, 0.07143, 0.9464]\n", + " PeriodicSite: S (6.112, 11.57, 9.069) [0.3009, 0.5697, 0.4465]\n", + " PeriodicSite: S (5.642, 11.27, 19.08) [0.2778, 0.5547, 0.9394]\n", + " PeriodicSite: S (16.57, 1.522, 9.553) [0.8157, 0.07494, 0.4703]\n", + " PeriodicSite: S (16.64, 1.029, 18.79) [0.8194, 0.05066, 0.9252]\n", + " PeriodicSite: S (16.36, 11.35, 9.095) [0.8053, 0.5589, 0.4477]\n", + " PeriodicSite: S (16.5, 11.61, 19.25) [0.8125, 0.5717, 0.9477]\n", + " PeriodicSite: S (1.379, 4.389, 1.547) [0.06789, 0.2161, 0.07617]\n", + " PeriodicSite: S (0.8736, 3.449, 11.4) [0.04301, 0.1698, 0.5611]\n", + " PeriodicSite: S (1.182, 14.01, 0.9362) [0.05819, 0.6899, 0.04609]\n", + " PeriodicSite: S (1.009, 13.61, 10.92) [0.04968, 0.67, 0.5376]\n", + " PeriodicSite: S (12.12, 3.795, 1.042) [0.5966, 0.1868, 0.0513]\n", + " PeriodicSite: S (10.91, 3.66, 11.35) [0.537, 0.1802, 0.5587]\n", + " PeriodicSite: S (11.04, 13.8, 1.143) [0.5434, 0.6793, 0.0563]\n", + " PeriodicSite: S (11.73, 14.14, 11.55) [0.5773, 0.696, 0.5687]\n", + " PeriodicSite: S (2.315, 2.939, 17.66) [0.114, 0.1447, 0.8694]\n", + " PeriodicSite: S (2.808, 12.53, 7.591) [0.1382, 0.6167, 0.3737]\n", + " PeriodicSite: S (13.05, 2.283, 7.774) [0.6425, 0.1124, 0.3827]\n", + " PeriodicSite: S (8.99, 8.917, 3.896) [0.4426, 0.439, 0.1918]\n", + " PeriodicSite: S (8.983, 9.188, 14.02) [0.4422, 0.4524, 0.69]\n", + " PeriodicSite: S (8.691, 19.04, 3.617) [0.4279, 0.9373, 0.1781]\n", + " PeriodicSite: S (8.477, 19.27, 14.0) [0.4173, 0.9484, 0.689]\n", + " PeriodicSite: S (19.21, 9.312, 3.619) [0.9459, 0.4584, 0.1782]\n", + " PeriodicSite: S (19.21, 8.65, 13.88) [0.9457, 0.4259, 0.6835]\n", + " PeriodicSite: S (19.21, 19.3, 3.908) [0.9456, 0.9503, 0.1924]\n", + " PeriodicSite: S (19.1, 18.94, 14.03) [0.9403, 0.9325, 0.6908]\n", + " PeriodicSite: S (3.53, 6.522, 6.002) [0.1738, 0.3211, 0.2955]\n", + " PeriodicSite: S (3.725, 6.233, 16.26) [0.1834, 0.3068, 0.8005]\n", + " PeriodicSite: S (4.187, 16.06, 6.497) [0.2061, 0.7907, 0.3198]\n", + " PeriodicSite: S (3.822, 16.62, 16.28) [0.1882, 0.8181, 0.8014]\n", + " PeriodicSite: S (14.09, 6.386, 6.121) [0.6937, 0.3144, 0.3013]\n", + " PeriodicSite: S (13.43, 6.23, 16.54) [0.6611, 0.3067, 0.8145]\n", + " PeriodicSite: S (14.34, 16.61, 6.311) [0.7061, 0.8178, 0.3107]\n", + " PeriodicSite: S (14.18, 16.28, 16.12) [0.6982, 0.8016, 0.7938]\n", + " PeriodicSite: S (6.215, 6.108, 3.939) [0.306, 0.3007, 0.1939]\n", + " PeriodicSite: S (6.101, 6.183, 13.92) [0.3004, 0.3044, 0.6852]\n", + " PeriodicSite: S (6.542, 16.41, 4.055) [0.322, 0.8081, 0.1997]\n", + " PeriodicSite: S (6.456, 16.18, 14.0) [0.3178, 0.7965, 0.6893]\n", + " PeriodicSite: S (16.44, 6.36, 3.942) [0.8092, 0.3131, 0.1941]\n", + " PeriodicSite: S (15.89, 6.795, 14.41) [0.7822, 0.3345, 0.7092]\n", + " PeriodicSite: S (16.57, 16.75, 3.988) [0.8156, 0.8248, 0.1963]\n", + " PeriodicSite: S (16.46, 16.5, 13.87) [0.8104, 0.8122, 0.6831]\n", + " PeriodicSite: S (0.8227, 8.574, 6.125) [0.0405, 0.4221, 0.3015]\n", + " PeriodicSite: S (1.098, 9.09, 16.41) [0.05406, 0.4475, 0.8078]\n", + " PeriodicSite: S (1.31, 19.05, 6.246) [0.0645, 0.9381, 0.3075]\n", + " PeriodicSite: S (1.256, 19.19, 16.37) [0.06181, 0.9447, 0.806]\n", + " PeriodicSite: S (11.23, 8.695, 6.261) [0.5529, 0.428, 0.3082]\n", + " PeriodicSite: S (11.25, 9.232, 16.57) [0.5539, 0.4545, 0.8156]\n", + " PeriodicSite: S (10.8, 18.86, 5.941) [0.5315, 0.9285, 0.2925]\n", + " PeriodicSite: S (11.29, 19.31, 16.03) [0.5558, 0.9504, 0.7891]\n", + " PeriodicSite: S (2.52, 17.46, 2.568) [0.1241, 0.8596, 0.1265]\n", + " PeriodicSite: S (2.12, 17.37, 12.73) [0.1043, 0.8549, 0.6268]\n", + " PeriodicSite: S (12.34, 7.53, 12.68) [0.6073, 0.3707, 0.6241]\n", + " PeriodicSite: S (12.86, 17.79, 2.619) [0.6329, 0.8756, 0.129]\n", + " PeriodicSite: S (3.408, 4.26, 3.946) [0.1678, 0.2097, 0.1943]\n", + " PeriodicSite: S (3.652, 3.845, 13.74) [0.1798, 0.1893, 0.6762]\n", + " PeriodicSite: S (4.063, 13.93, 3.985) [0.2, 0.6858, 0.1962]\n", + " PeriodicSite: S (3.909, 14.06, 14.32) [0.1924, 0.6922, 0.7048]\n", + " PeriodicSite: S (14.12, 3.987, 4.01) [0.6949, 0.1963, 0.1974]\n", + " PeriodicSite: S (13.95, 4.117, 14.08) [0.6869, 0.2027, 0.693]\n", + " PeriodicSite: S (14.12, 14.25, 4.049) [0.6951, 0.7014, 0.1993]\n", + " PeriodicSite: S (14.23, 13.76, 13.84) [0.7004, 0.6774, 0.6814]\n", + " PeriodicSite: S (9.088, 1.186, 5.875) [0.4474, 0.05837, 0.2892]\n", + " PeriodicSite: S (8.837, 1.584, 16.21) [0.4351, 0.07798, 0.7982]\n", + " PeriodicSite: S (9.316, 11.44, 6.402) [0.4586, 0.5632, 0.3152]\n", + " PeriodicSite: S (8.78, 11.41, 16.63) [0.4322, 0.5615, 0.8187]\n", + " PeriodicSite: S (19.1, 1.002, 6.227) [0.9401, 0.0493, 0.3066]\n", + " PeriodicSite: S (18.95, 1.015, 16.42) [0.9329, 0.04997, 0.8083]\n", + " PeriodicSite: S (19.0, 11.17, 6.299) [0.9355, 0.55, 0.3101]\n", + " PeriodicSite: S (18.88, 11.15, 16.33) [0.9296, 0.5491, 0.8041]\n", + " PeriodicSite: S (1.385, 1.408, 4.078) [0.06816, 0.06931, 0.2008]\n", + " PeriodicSite: S (0.9862, 1.295, 14.02) [0.04855, 0.06375, 0.6901]\n", + " PeriodicSite: S (1.509, 11.42, 4.22) [0.07426, 0.5621, 0.2078]\n", + " PeriodicSite: S (1.245, 11.13, 14.0) [0.06128, 0.5481, 0.6894]\n", + " PeriodicSite: S (11.36, 0.9835, 3.425) [0.5592, 0.04841, 0.1686]\n", + " PeriodicSite: S (10.85, 1.332, 13.66) [0.5342, 0.06559, 0.6726]\n", + " PeriodicSite: S (11.39, 11.18, 4.019) [0.5609, 0.5504, 0.1978]\n", + " PeriodicSite: S (11.33, 11.57, 14.01) [0.5576, 0.5695, 0.6897]\n", + " PeriodicSite: S (5.92, 4.059, 6.414) [0.2914, 0.1998, 0.3158]\n", + " PeriodicSite: S (5.944, 3.709, 16.31) [0.2926, 0.1826, 0.803]\n", + " PeriodicSite: S (6.431, 13.56, 6.049) [0.3166, 0.6675, 0.2978]\n", + " PeriodicSite: S (6.295, 14.28, 16.6) [0.3099, 0.7029, 0.8174]\n", + " PeriodicSite: S (16.59, 3.923, 6.323) [0.8168, 0.1931, 0.3113]\n", + " PeriodicSite: S (15.99, 4.112, 16.72) [0.7873, 0.2024, 0.823]\n", + " PeriodicSite: S (16.88, 14.25, 6.113) [0.8309, 0.7015, 0.301]\n", + " PeriodicSite: S (16.66, 14.02, 16.14) [0.8203, 0.6903, 0.7944]\n", + " PeriodicSite: S (7.337, 2.501, 12.69) [0.3612, 0.1231, 0.6249]\n", + " PeriodicSite: S (7.329, 12.34, 2.084) [0.3608, 0.6077, 0.1026]\n", + " PeriodicSite: S (17.64, 2.732, 2.647) [0.8686, 0.1345, 0.1303]\n", + " PeriodicSite: S (17.88, 12.91, 2.467) [0.8805, 0.6357, 0.1214]\n", + " PeriodicSite: S (17.96, 12.43, 12.61) [0.8842, 0.6118, 0.6209]\n", + " PeriodicSite: S (3.843, 8.979, 9.117) [0.1892, 0.4421, 0.4489]\n", + " PeriodicSite: S (3.847, 8.668, 19.17) [0.1894, 0.4267, 0.9439]\n", + " PeriodicSite: S (4.079, 18.94, 8.807) [0.2008, 0.9326, 0.4336]\n", + " PeriodicSite: S (3.475, 19.57, 19.17) [0.1711, 0.9637, 0.9438]\n", + " PeriodicSite: S (13.97, 8.861, 8.906) [0.6878, 0.4362, 0.4385]\n", + " PeriodicSite: S (13.75, 9.552, 19.09) [0.6769, 0.4702, 0.9397]\n", + " PeriodicSite: S (14.1, 19.24, 9.475) [0.694, 0.9471, 0.4664]\n", + " PeriodicSite: S (13.92, 19.25, 19.31) [0.6855, 0.9479, 0.9506]\n", + " PeriodicSite: S (9.49, 5.784, 2.052) [0.4672, 0.2848, 0.101]\n", + " PeriodicSite: S (8.855, 6.344, 10.78) [0.4359, 0.3123, 0.5305]\n", + " PeriodicSite: S (9.257, 16.57, 1.597) [0.4557, 0.8159, 0.07864]\n", + " PeriodicSite: S (9.153, 16.24, 11.72) [0.4506, 0.7994, 0.5769]\n", + " PeriodicSite: S (19.27, 6.732, 1.279) [0.9487, 0.3314, 0.06298]\n", + " PeriodicSite: S (19.12, 6.171, 11.31) [0.9414, 0.3038, 0.557]\n", + " PeriodicSite: S (19.2, 16.58, 0.8029) [0.9452, 0.8164, 0.03953]\n", + " PeriodicSite: S (19.01, 16.24, 11.13) [0.9359, 0.7997, 0.5478]\n", + " PeriodicSite: S (1.479, 5.899, 9.167) [0.07279, 0.2904, 0.4513]\n", + " PeriodicSite: S (1.231, 6.522, 19.16) [0.0606, 0.3211, 0.9433]\n", + " PeriodicSite: S (1.163, 16.2, 9.094) [0.05725, 0.7975, 0.4477]\n", + " PeriodicSite: S (1.409, 16.29, 18.95) [0.06935, 0.8019, 0.9329]\n", + " PeriodicSite: S (11.33, 5.614, 8.721) [0.5579, 0.2764, 0.4294]\n", + " PeriodicSite: S (11.15, 6.722, 19.72) [0.5491, 0.3309, 0.9707]\n", + " PeriodicSite: S (11.64, 16.87, 9.505) [0.5729, 0.8307, 0.4679]\n", + " PeriodicSite: S (11.71, 16.26, 19.45) [0.5763, 0.8007, 0.9578]\n", + " PeriodicSite: S (6.016, 8.899, 1.281) [0.2962, 0.4381, 0.06305]\n", + " PeriodicSite: S (6.278, 9.125, 11.52) [0.3091, 0.4492, 0.5674]\n", + " PeriodicSite: S (6.003, 19.37, 1.207) [0.2955, 0.9538, 0.05944]\n", + " PeriodicSite: S (6.416, 18.75, 11.15) [0.3159, 0.923, 0.5488]\n", + " PeriodicSite: S (15.88, 9.305, 1.093) [0.7818, 0.4581, 0.05382]\n", + " PeriodicSite: S (16.66, 8.849, 11.35) [0.8202, 0.4356, 0.559]\n", + " PeriodicSite: S (16.5, 19.43, 1.235) [0.8122, 0.9564, 0.06079]\n", + " PeriodicSite: S (16.68, 19.26, 11.58) [0.8211, 0.9481, 0.5701]\n", + " PeriodicSite: S (7.166, 7.545, 17.4) [0.3528, 0.3714, 0.8569]\n", + " PeriodicSite: S (7.801, 17.5, 7.735) [0.384, 0.8614, 0.3808]\n", + " PeriodicSite: S (17.67, 7.673, 7.861) [0.87, 0.3777, 0.387]\n", + " PeriodicSite: S (17.68, 17.92, 7.933) [0.8706, 0.8824, 0.3906]\n", + " PeriodicSite: P (4.908, 0.3293, 0.05039) [0.2416, 0.01621, 0.002482]\n", + " PeriodicSite: P (5.258, 20.0, 10.07) [0.2588, 0.9845, 0.4957]\n", + " PeriodicSite: P (4.776, 9.991, 0.09561) [0.2351, 0.4919, 0.004709]\n", + " PeriodicSite: P (4.986, 10.26, 10.3) [0.2455, 0.5053, 0.507]\n", + " PeriodicSite: P (15.36, 0.1094, 20.16) [0.7564, 0.005378, 0.9926]\n", + " PeriodicSite: P (15.31, 0.1256, 10.55) [0.7536, 0.006179, 0.5193]\n", + " PeriodicSite: P (14.96, 10.72, 20.26) [0.7363, 0.5276, 0.9974]\n", + " PeriodicSite: P (15.2, 9.902, 10.16) [0.7481, 0.4875, 0.5003]\n", + " PeriodicSite: P (4.756, 5.165, 5.141) [0.2341, 0.2543, 0.2531]\n", + " PeriodicSite: P (4.905, 4.959, 15.03) [0.2415, 0.2441, 0.7398]\n", + " PeriodicSite: P (5.39, 14.99, 5.09) [0.2654, 0.738, 0.2506]\n", + " PeriodicSite: P (5.275, 15.38, 15.29) [0.2597, 0.7574, 0.7525]\n", + " PeriodicSite: P (15.36, 5.086, 5.15) [0.7562, 0.2504, 0.2535]\n", + " PeriodicSite: P (14.9, 5.359, 15.43) [0.7333, 0.2638, 0.7595]\n", + " PeriodicSite: P (15.48, 15.33, 5.18) [0.7619, 0.7545, 0.255]\n", + " PeriodicSite: P (15.4, 15.13, 14.86) [0.7583, 0.7447, 0.7317]\n", + " PeriodicSite: P (0.2875, 0.1279, 5.161) [0.01415, 0.006299, 0.2541]\n", + " PeriodicSite: P (20.2, 20.19, 15.26) [0.9947, 0.9938, 0.7513]\n", + " PeriodicSite: P (0.1042, 10.15, 5.075) [0.005126, 0.4996, 0.2499]\n", + " PeriodicSite: P (20.14, 10.03, 15.12) [0.9914, 0.4939, 0.7442]\n", + " PeriodicSite: P (10.0, 20.27, 4.677) [0.4923, 0.998, 0.2302]\n", + " PeriodicSite: P (9.799, 0.08329, 15.05) [0.4824, 0.004097, 0.741]\n", + " PeriodicSite: P (10.12, 10.08, 5.159) [0.4983, 0.4963, 0.254]\n", + " PeriodicSite: P (10.04, 10.34, 15.26) [0.4943, 0.509, 0.7513]\n", + " PeriodicSite: P (0.1385, 5.422, 0.229) [0.006818, 0.2669, 0.01128]\n", + " PeriodicSite: P (20.22, 4.869, 10.11) [0.9956, 0.2397, 0.4978]\n", + " PeriodicSite: P (0.06032, 15.19, 20.12) [0.002968, 0.7476, 0.9904]\n", + " PeriodicSite: P (20.13, 14.94, 9.965) [0.9909, 0.7357, 0.4906]\n", + " PeriodicSite: P (10.49, 5.06, 0.4306) [0.5164, 0.2491, 0.0212]\n", + " PeriodicSite: P (9.872, 4.812, 9.929) [0.486, 0.2369, 0.4888]\n", + " PeriodicSite: P (10.21, 15.37, 0.107) [0.5028, 0.7567, 0.005272]\n", + " PeriodicSite: P (10.57, 15.33, 10.5) [0.5203, 0.7549, 0.5168],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.599, 6.366, 4.81) [0.07871, 0.3134, 0.2368]\n", + " PeriodicSite: Li (1.379, 3.084, 15.11) [0.0679, 0.1518, 0.7436]\n", + " PeriodicSite: Li (0.3263, 12.33, 7.855) [0.01606, 0.6069, 0.3867]\n", + " PeriodicSite: Li (0.7315, 14.47, 17.07) [0.03601, 0.7126, 0.8405]\n", + " PeriodicSite: Li (14.72, 0.5808, 7.204) [0.7248, 0.02859, 0.3546]\n", + " PeriodicSite: Li (11.88, 3.678, 15.39) [0.5847, 0.181, 0.7579]\n", + " PeriodicSite: Li (13.77, 11.66, 3.482) [0.6779, 0.5742, 0.1714]\n", + " PeriodicSite: Li (17.27, 8.277, 15.73) [0.8504, 0.4075, 0.7742]\n", + " PeriodicSite: Li (3.687, 4.828, 8.492) [0.1815, 0.2377, 0.4181]\n", + " PeriodicSite: Li (1.673, 2.072, 19.99) [0.08239, 0.102, 0.9839]\n", + " PeriodicSite: Li (4.537, 7.678, 4.293) [0.2234, 0.378, 0.2114]\n", + " PeriodicSite: Li (6.227, 9.883, 17.36) [0.3066, 0.4866, 0.8545]\n", + " PeriodicSite: Li (11.8, 4.327, 7.065) [0.5809, 0.213, 0.3478]\n", + " PeriodicSite: Li (11.89, 1.644, 0.1843) [0.5855, 0.08095, 0.009077]\n", + " PeriodicSite: Li (12.1, 9.781, 11.98) [0.5956, 0.4815, 0.5896]\n", + " PeriodicSite: Li (11.07, 19.06, 18.6) [0.545, 0.9386, 0.9155]\n", + " PeriodicSite: Li (4.672, 1.585, 6.968) [0.23, 0.07802, 0.343]\n", + " PeriodicSite: Li (2.68, 19.64, 14.07) [0.1319, 0.967, 0.6928]\n", + " PeriodicSite: Li (3.741, 9.551, 6.9) [0.1842, 0.4702, 0.3397]\n", + " PeriodicSite: Li (6.524, 9.958, 13.91) [0.3212, 0.4903, 0.6847]\n", + " PeriodicSite: Li (12.73, 0.7962, 9.344) [0.6268, 0.03919, 0.46]\n", + " PeriodicSite: Li (10.07, 3.03, 17.8) [0.4958, 0.1492, 0.8762]\n", + " PeriodicSite: Li (13.91, 15.39, 8.829) [0.6847, 0.7577, 0.4347]\n", + " PeriodicSite: Li (11.66, 10.56, 18.44) [0.5738, 0.52, 0.9077]\n", + " PeriodicSite: Li (0.6244, 3.48, 6.946) [0.03074, 0.1713, 0.3419]\n", + " PeriodicSite: Li (0.3851, 4.279, 17.67) [0.01896, 0.2106, 0.8699]\n", + " PeriodicSite: Li (1.914, 14.78, 6.876) [0.09421, 0.7275, 0.3385]\n", + " PeriodicSite: Li (4.329, 14.46, 18.36) [0.2131, 0.7118, 0.9038]\n", + " PeriodicSite: Li (12.95, 2.018, 5.093) [0.6377, 0.09934, 0.2507]\n", + " PeriodicSite: Li (14.19, 1.109, 17.4) [0.6988, 0.05458, 0.8567]\n", + " PeriodicSite: Li (11.09, 12.11, 9.587) [0.5461, 0.596, 0.472]\n", + " PeriodicSite: Li (17.25, 17.07, 19.88) [0.8491, 0.8403, 0.9787]\n", + " PeriodicSite: Li (6.996, 0.62, 4.027) [0.3444, 0.03052, 0.1982]\n", + " PeriodicSite: Li (0.3927, 18.25, 2.526) [0.01932, 0.8987, 0.1243]\n", + " PeriodicSite: Li (3.054, 14.41, 9.454) [0.1504, 0.7097, 0.4654]\n", + " PeriodicSite: Li (1.977, 17.2, 14.92) [0.09733, 0.8467, 0.7343]\n", + " PeriodicSite: Li (15.21, 3.404, 8.521) [0.7487, 0.1676, 0.4195]\n", + " PeriodicSite: Li (14.08, 4.847, 18.41) [0.6931, 0.2386, 0.9065]\n", + " PeriodicSite: Li (17.11, 15.64, 8.482) [0.8422, 0.7698, 0.4176]\n", + " PeriodicSite: Li (9.849, 13.55, 16.78) [0.4849, 0.6671, 0.8259]\n", + " PeriodicSite: Li (4.105, 1.788, 4.133) [0.2021, 0.088, 0.2035]\n", + " PeriodicSite: Li (1.677, 0.5309, 17.7) [0.08256, 0.02614, 0.8712]\n", + " PeriodicSite: Li (3.937, 11.94, 5.533) [0.1938, 0.588, 0.2724]\n", + " PeriodicSite: Li (18.42, 13.76, 4.992) [0.9069, 0.6774, 0.2458]\n", + " PeriodicSite: Li (10.47, 1.968, 7.803) [0.5152, 0.09687, 0.3842]\n", + " PeriodicSite: Li (17.43, 19.83, 15.82) [0.8583, 0.9761, 0.7787]\n", + " PeriodicSite: Li (13.76, 9.515, 6.628) [0.6774, 0.4684, 0.3263]\n", + " PeriodicSite: Li (14.48, 8.705, 17.15) [0.7128, 0.4286, 0.8443]\n", + " PeriodicSite: Li (2.915, 12.2, 15.13) [0.1435, 0.6008, 0.745]\n", + " PeriodicSite: Li (2.246, 11.06, 9.514) [0.1106, 0.5446, 0.4684]\n", + " PeriodicSite: Li (1.671, 15.38, 3.206) [0.08225, 0.7573, 0.1578]\n", + " PeriodicSite: Li (1.523, 1.869, 10.11) [0.075, 0.09203, 0.4975]\n", + " PeriodicSite: Li (12.6, 5.558, 4.316) [0.6203, 0.2736, 0.2125]\n", + " PeriodicSite: Li (11.82, 7.118, 14.81) [0.582, 0.3504, 0.729]\n", + " PeriodicSite: Li (10.22, 13.77, 6.661) [0.503, 0.6781, 0.3279]\n", + " PeriodicSite: Li (12.91, 19.92, 14.57) [0.6357, 0.9809, 0.7174]\n", + " PeriodicSite: Li (3.505, 6.581, 1.007) [0.1726, 0.324, 0.04956]\n", + " PeriodicSite: Li (3.113, 5.14, 11.76) [0.1532, 0.2531, 0.5788]\n", + " PeriodicSite: Li (6.597, 16.64, 19.56) [0.3248, 0.8191, 0.9627]\n", + " PeriodicSite: Li (4.581, 18.66, 16.89) [0.2255, 0.9186, 0.8314]\n", + " PeriodicSite: Li (14.47, 5.574, 2.145) [0.7125, 0.2744, 0.1056]\n", + " PeriodicSite: Li (10.8, 6.295, 12.34) [0.5318, 0.3099, 0.6077]\n", + " PeriodicSite: Li (12.56, 16.72, 4.78) [0.6182, 0.823, 0.2353]\n", + " PeriodicSite: Li (10.7, 17.4, 13.95) [0.5268, 0.8568, 0.6869]\n", + " PeriodicSite: Li (3.285, 10.4, 17.22) [0.1617, 0.5121, 0.8479]\n", + " PeriodicSite: Li (4.938, 7.232, 10.81) [0.2431, 0.356, 0.5324]\n", + " PeriodicSite: Li (4.569, 16.09, 2.253) [0.2249, 0.7921, 0.1109]\n", + " PeriodicSite: Li (2.866, 18.0, 10.48) [0.1411, 0.8863, 0.5158]\n", + " PeriodicSite: Li (11.11, 7.548, 1.528) [0.5472, 0.3716, 0.07523]\n", + " PeriodicSite: Li (14.71, 6.091, 12.47) [0.7244, 0.2998, 0.614]\n", + " PeriodicSite: Li (11.14, 15.78, 2.642) [0.5482, 0.7768, 0.1301]\n", + " PeriodicSite: Li (13.98, 15.4, 12.15) [0.6884, 0.7579, 0.5981]\n", + " PeriodicSite: Li (0.1629, 8.624, 1.497) [0.008016, 0.4246, 0.07372]\n", + " PeriodicSite: Li (17.28, 5.48, 10.34) [0.8505, 0.2698, 0.509]\n", + " PeriodicSite: Li (3.192, 17.81, 4.752) [0.1572, 0.8766, 0.2339]\n", + " PeriodicSite: Li (20.26, 18.4, 11.9) [0.9972, 0.9058, 0.5858]\n", + " PeriodicSite: Li (10.06, 7.232, 5.767) [0.4951, 0.356, 0.2839]\n", + " PeriodicSite: Li (12.99, 11.01, 15.28) [0.6393, 0.5422, 0.7525]\n", + " PeriodicSite: Li (14.21, 15.49, 2.283) [0.6996, 0.7626, 0.1124]\n", + " PeriodicSite: Li (12.22, 14.31, 15.82) [0.6017, 0.7045, 0.7789]\n", + " PeriodicSite: Li (7.118, 8.407, 5.532) [0.3504, 0.4139, 0.2723]\n", + " PeriodicSite: Li (19.8, 12.32, 11.93) [0.9747, 0.6065, 0.5876]\n", + " PeriodicSite: Li (18.81, 17.12, 5.757) [0.9262, 0.8429, 0.2834]\n", + " PeriodicSite: Li (6.679, 18.47, 14.75) [0.3288, 0.9093, 0.7259]\n", + " PeriodicSite: Li (17.34, 11.25, 3.993) [0.8537, 0.554, 0.1966]\n", + " PeriodicSite: Li (13.17, 6.963, 10.34) [0.6482, 0.3428, 0.5089]\n", + " PeriodicSite: Li (13.69, 17.18, 0.231) [0.6739, 0.8458, 0.01138]\n", + " PeriodicSite: Li (12.44, 18.35, 10.91) [0.6122, 0.9034, 0.537]\n", + " PeriodicSite: Li (4.685, 3.365, 18.36) [0.2306, 0.1657, 0.9039]\n", + " PeriodicSite: Li (3.653, 9.503, 13.1) [0.1798, 0.4679, 0.6451]\n", + " PeriodicSite: Li (4.211, 19.66, 2.838) [0.2073, 0.9679, 0.1397]\n", + " PeriodicSite: Li (0.1685, 15.83, 13.0) [0.008291, 0.7795, 0.6402]\n", + " PeriodicSite: Li (15.53, 8.438, 3.745) [0.7645, 0.4154, 0.1844]\n", + " PeriodicSite: Li (14.96, 8.467, 13.4) [0.7366, 0.4168, 0.6595]\n", + " PeriodicSite: Li (12.8, 19.54, 3.943) [0.6302, 0.9621, 0.1941]\n", + " PeriodicSite: Li (19.14, 4.991, 13.36) [0.9422, 0.2457, 0.6577]\n", + " PeriodicSite: Li (10.05, 3.106, 3.103) [0.4947, 0.1529, 0.1528]\n", + " PeriodicSite: Li (9.703, 1.104, 11.88) [0.4777, 0.05436, 0.585]\n", + " PeriodicSite: Li (6.79, 10.11, 2.967) [0.3343, 0.4976, 0.1461]\n", + " PeriodicSite: Li (6.262, 12.35, 15.41) [0.3083, 0.6081, 0.7588]\n", + " PeriodicSite: Li (17.94, 3.558, 4.654) [0.8834, 0.1751, 0.2291]\n", + " PeriodicSite: Li (13.05, 3.859, 9.806) [0.6424, 0.19, 0.4828]\n", + " PeriodicSite: Li (20.29, 12.48, 2.499) [0.9988, 0.6146, 0.123]\n", + " PeriodicSite: Li (17.41, 10.08, 13.26) [0.8571, 0.4962, 0.6527]\n", + " PeriodicSite: Li (5.805, 18.99, 6.806) [0.2858, 0.9348, 0.335]\n", + " PeriodicSite: Li (9.315, 3.186, 13.55) [0.4586, 0.1568, 0.667]\n", + " PeriodicSite: Li (6.963, 13.49, 0.1241) [0.3428, 0.6642, 0.006113]\n", + " PeriodicSite: Li (9.968, 13.71, 12.94) [0.4907, 0.6749, 0.6369]\n", + " PeriodicSite: Li (15.34, 18.74, 3.082) [0.7553, 0.9227, 0.1517]\n", + " PeriodicSite: Li (19.06, 0.7262, 12.15) [0.9382, 0.03574, 0.5984]\n", + " PeriodicSite: Li (17.31, 14.94, 2.107) [0.8523, 0.7354, 0.1037]\n", + " PeriodicSite: Li (17.31, 15.21, 11.69) [0.852, 0.749, 0.5756]\n", + " PeriodicSite: Li (8.029, 4.579, 5.129) [0.3953, 0.2254, 0.2525]\n", + " PeriodicSite: Li (5.813, 0.1755, 12.91) [0.2862, 0.008636, 0.6357]\n", + " PeriodicSite: Li (9.949, 12.07, 1.913) [0.4898, 0.594, 0.09419]\n", + " PeriodicSite: Li (5.48, 13.66, 11.95) [0.2698, 0.6725, 0.5883]\n", + " PeriodicSite: Li (20.29, 3.042, 2.984) [0.9989, 0.1498, 0.1469]\n", + " PeriodicSite: Li (0.08694, 8.548, 12.06) [0.004279, 0.4208, 0.5937]\n", + " PeriodicSite: Li (15.83, 13.2, 1.026) [0.7791, 0.65, 0.05053]\n", + " PeriodicSite: Li (15.51, 12.16, 13.5) [0.7635, 0.5986, 0.6647]\n", + " PeriodicSite: Li (2.24, 0.5793, 5.982) [0.1103, 0.02852, 0.2945]\n", + " PeriodicSite: Li (6.894, 1.959, 14.86) [0.3394, 0.09642, 0.7314]\n", + " PeriodicSite: Li (5.151, 13.25, 1.904) [0.2536, 0.6521, 0.09375]\n", + " PeriodicSite: Li (8.087, 6.834, 15.36) [0.3981, 0.3364, 0.756]\n", + " PeriodicSite: Li (17.2, 4.993, 1.686) [0.847, 0.2458, 0.08303]\n", + " PeriodicSite: Li (15.18, 18.67, 13.76) [0.7471, 0.9192, 0.6774]\n", + " PeriodicSite: Li (13.18, 14.27, 19.14) [0.6489, 0.7028, 0.9422]\n", + " PeriodicSite: Li (17.19, 12.74, 10.23) [0.8463, 0.6274, 0.5038]\n", + " PeriodicSite: Li (7.135, 4.889, 1.209) [0.3513, 0.2407, 0.0595]\n", + " PeriodicSite: Li (5.118, 3.05, 11.89) [0.252, 0.1501, 0.5852]\n", + " PeriodicSite: Li (7.865, 10.89, 0.2503) [0.3872, 0.5363, 0.01233]\n", + " PeriodicSite: Li (8.068, 10.66, 11.61) [0.3972, 0.5247, 0.5716]\n", + " PeriodicSite: Li (15.54, 1.982, 3.349) [0.7652, 0.09756, 0.1649]\n", + " PeriodicSite: Li (15.38, 3.155, 11.95) [0.7572, 0.1553, 0.5883]\n", + " PeriodicSite: Li (0.2775, 12.12, 18.38) [0.01366, 0.5966, 0.9048]\n", + " PeriodicSite: Li (18.62, 13.04, 14.7) [0.9167, 0.6421, 0.7237]\n", + " PeriodicSite: Li (7.401, 0.7065, 0.8475) [0.3644, 0.03478, 0.04172]\n", + " PeriodicSite: Li (6.94, 2.75, 9.95) [0.3416, 0.1354, 0.4898]\n", + " PeriodicSite: Li (7.484, 12.19, 4.554) [0.3684, 0.5999, 0.2242]\n", + " PeriodicSite: Li (3.187, 15.86, 12.31) [0.1569, 0.781, 0.6062]\n", + " PeriodicSite: Li (16.41, 2.694, 0.3577) [0.8078, 0.1326, 0.01761]\n", + " PeriodicSite: Li (1.448, 6.998, 14.93) [0.07127, 0.3445, 0.7352]\n", + " PeriodicSite: Li (5.078, 13.15, 8.592) [0.25, 0.6476, 0.423]\n", + " PeriodicSite: Li (14.08, 12.93, 9.89) [0.6932, 0.6364, 0.4869]\n", + " PeriodicSite: Li (15.16, 12.46, 6.188) [0.7461, 0.6136, 0.3047]\n", + " PeriodicSite: Li (5.3, 8.024, 16.2) [0.2609, 0.3951, 0.7976]\n", + " PeriodicSite: Li (7.404, 15.36, 9.516) [0.3645, 0.7561, 0.4685]\n", + " PeriodicSite: Li (2.212, 18.0, 0.4385) [0.1089, 0.8862, 0.02159]\n", + " PeriodicSite: Li (16.86, 9.546, 6.725) [0.8301, 0.4699, 0.3311]\n", + " PeriodicSite: Li (3.011, 5.521, 18.53) [0.1482, 0.2718, 0.9123]\n", + " PeriodicSite: Li (17.19, 0.7942, 5.193) [0.8464, 0.03909, 0.2557]\n", + " PeriodicSite: Li (18.54, 20.16, 18.83) [0.9126, 0.9924, 0.9271]\n", + " PeriodicSite: Li (6.524, 10.78, 6.944) [0.3212, 0.5308, 0.3418]\n", + " PeriodicSite: Li (6.921, 5.614, 17.86) [0.3407, 0.2764, 0.8791]\n", + " PeriodicSite: Li (8.67, 19.9, 7.667) [0.4268, 0.9799, 0.3775]\n", + " PeriodicSite: Li (7.893, 15.98, 16.82) [0.3886, 0.7866, 0.8282]\n", + " PeriodicSite: Li (17.84, 9.041, 9.554) [0.8782, 0.4451, 0.4703]\n", + " PeriodicSite: Li (17.51, 8.607, 19.71) [0.8622, 0.4237, 0.9703]\n", + " PeriodicSite: Li (18.35, 20.05, 8.575) [0.9033, 0.9872, 0.4222]\n", + " PeriodicSite: Li (18.47, 15.83, 16.63) [0.9093, 0.7794, 0.8185]\n", + " PeriodicSite: Li (6.705, 5.767, 8.431) [0.3301, 0.2839, 0.4151]\n", + " PeriodicSite: Li (4.056, 2.155, 16.08) [0.1997, 0.1061, 0.7918]\n", + " PeriodicSite: Li (9.081, 18.29, 9.947) [0.447, 0.9005, 0.4897]\n", + " PeriodicSite: Li (16.12, 11.89, 16.43) [0.7937, 0.5851, 0.8087]\n", + " PeriodicSite: Li (20.29, 7.728, 8.262) [0.9989, 0.3804, 0.4068]\n", + " PeriodicSite: Li (17.05, 5.494, 18.87) [0.8393, 0.2705, 0.9292]\n", + " PeriodicSite: Li (16.44, 18.33, 9.502) [0.8095, 0.9022, 0.4678]\n", + " PeriodicSite: Li (15.33, 16.06, 18.23) [0.7549, 0.7905, 0.8973]\n", + " PeriodicSite: Li (9.588, 8.198, 8.974) [0.472, 0.4036, 0.4418]\n", + " PeriodicSite: Li (4.121, 3.591, 1.135) [0.2029, 0.1768, 0.05587]\n", + " PeriodicSite: Li (6.03, 17.38, 9.609) [0.2968, 0.8557, 0.473]\n", + " PeriodicSite: Li (8.136, 14.76, 2.546) [0.4005, 0.7269, 0.1254]\n", + " PeriodicSite: Li (15.58, 6.816, 8.423) [0.7669, 0.3356, 0.4147]\n", + " PeriodicSite: Li (20.17, 8.451, 18.38) [0.9932, 0.416, 0.9047]\n", + " PeriodicSite: Li (16.16, 18.3, 6.294) [0.7953, 0.9007, 0.3099]\n", + " PeriodicSite: Li (14.94, 18.61, 17.24) [0.7355, 0.916, 0.8486]\n", + " PeriodicSite: Li (7.175, 4.817, 12.02) [0.3532, 0.2371, 0.5916]\n", + " PeriodicSite: Li (5.57, 7.312, 19.46) [0.2742, 0.36, 0.9581]\n", + " PeriodicSite: Li (8.056, 17.16, 5.211) [0.3966, 0.8449, 0.2565]\n", + " PeriodicSite: Li (11.02, 18.5, 1.611) [0.5424, 0.9106, 0.0793]\n", + " PeriodicSite: Li (18.62, 7.268, 5.306) [0.9167, 0.3578, 0.2612]\n", + " PeriodicSite: Li (14.01, 7.209, 0.3477) [0.69, 0.3549, 0.01712]\n", + " PeriodicSite: Li (20.03, 17.66, 8.426) [0.986, 0.8695, 0.4148]\n", + " PeriodicSite: Li (18.46, 0.3502, 1.89) [0.9089, 0.01723, 0.09305]\n", + " PeriodicSite: Li (2.9, 9.682, 3.63) [0.1428, 0.4767, 0.1787]\n", + " PeriodicSite: Li (9.448, 8.087, 18.33) [0.4651, 0.3982, 0.9026]\n", + " PeriodicSite: Li (10.18, 16.7, 7.51) [0.501, 0.822, 0.3697]\n", + " PeriodicSite: Li (6.969, 19.97, 17.24) [0.3431, 0.983, 0.8487]\n", + " PeriodicSite: Li (18.1, 5.365, 7.511) [0.891, 0.2641, 0.3698]\n", + " PeriodicSite: Li (18.01, 11.25, 0.9519) [0.8864, 0.5536, 0.04687]\n", + " PeriodicSite: Li (3.023, 15.15, 0.121) [0.1488, 0.7459, 0.005959]\n", + " PeriodicSite: Li (15.93, 2.627, 14.69) [0.7844, 0.1293, 0.7231]\n", + " PeriodicSite: Cl (7.417, 12.22, 13.14) [0.3652, 0.6015, 0.6471]\n", + " PeriodicSite: Cl (2.467, 12.87, 17.61) [0.1215, 0.6337, 0.8668]\n", + " PeriodicSite: Cl (12.89, 17.9, 13.11) [0.6348, 0.881, 0.6456]\n", + " PeriodicSite: Cl (17.83, 7.375, 17.77) [0.8776, 0.3631, 0.875]\n", + " PeriodicSite: Cl (7.755, 2.309, 2.586) [0.3818, 0.1137, 0.1273]\n", + " PeriodicSite: Cl (8.059, 7.556, 7.223) [0.3967, 0.372, 0.3556]\n", + " PeriodicSite: Cl (13.12, 13.16, 7.997) [0.6458, 0.6479, 0.3937]\n", + " PeriodicSite: Cl (2.398, 7.47, 2.885) [0.1181, 0.3678, 0.142]\n", + " PeriodicSite: Cl (2.399, 7.429, 12.68) [0.1181, 0.3657, 0.6242]\n", + " PeriodicSite: Cl (11.93, 12.74, 17.76) [0.5871, 0.627, 0.8746]\n", + " PeriodicSite: Cl (17.08, 17.76, 17.55) [0.8406, 0.8743, 0.8639]\n", + " PeriodicSite: Cl (2.482, 2.414, 7.931) [0.1222, 0.1188, 0.3905]\n", + " PeriodicSite: Cl (12.28, 2.57, 17.71) [0.6045, 0.1265, 0.8719]\n", + " PeriodicSite: Cl (13.07, 7.284, 2.633) [0.6436, 0.3586, 0.1296]\n", + " PeriodicSite: Cl (17.61, 2.828, 12.91) [0.8671, 0.1392, 0.6355]\n", + " PeriodicSite: Cl (6.917, 17.77, 17.53) [0.3405, 0.8749, 0.863]\n", + " PeriodicSite: Cl (20.26, 0.2285, 20.18) [0.9975, 0.01124, 0.9936]\n", + " PeriodicSite: Cl (20.2, 19.91, 10.19) [0.9945, 0.9803, 0.5019]\n", + " PeriodicSite: Cl (19.94, 10.28, 19.96) [0.9819, 0.5062, 0.9827]\n", + " PeriodicSite: Cl (0.2396, 10.24, 10.4) [0.01179, 0.504, 0.5121]\n", + " PeriodicSite: Cl (9.993, 20.21, 20.08) [0.492, 0.9948, 0.9884]\n", + " PeriodicSite: Cl (10.4, 0.0439, 9.729) [0.512, 0.002157, 0.479]\n", + " PeriodicSite: Cl (10.03, 10.71, 20.27) [0.4937, 0.527, 0.9978]\n", + " PeriodicSite: Cl (10.16, 10.03, 10.37) [0.5004, 0.4939, 0.5105]\n", + " PeriodicSite: Cl (20.09, 4.785, 5.141) [0.9889, 0.2356, 0.2531]\n", + " PeriodicSite: Cl (0.04958, 4.989, 15.28) [0.002443, 0.2456, 0.7523]\n", + " PeriodicSite: Cl (0.05441, 15.23, 5.079) [0.002673, 0.7497, 0.25]\n", + " PeriodicSite: Cl (20.07, 15.24, 15.2) [0.9881, 0.7505, 0.7485]\n", + " PeriodicSite: Cl (10.34, 4.569, 4.98) [0.5089, 0.2249, 0.2452]\n", + " PeriodicSite: Cl (10.12, 5.217, 14.77) [0.4981, 0.2568, 0.7273]\n", + " PeriodicSite: Cl (9.895, 15.38, 5.017) [0.4871, 0.7571, 0.247]\n", + " PeriodicSite: Cl (10.18, 15.2, 14.9) [0.5013, 0.7482, 0.7336]\n", + " PeriodicSite: S (4.891, 0.03116, 5.064) [0.2408, 0.001532, 0.2493]\n", + " PeriodicSite: S (5.269, 20.26, 15.31) [0.2594, 0.9972, 0.7538]\n", + " PeriodicSite: S (4.944, 9.965, 4.904) [0.2434, 0.4906, 0.2414]\n", + " PeriodicSite: S (4.825, 10.28, 15.41) [0.2375, 0.5059, 0.7587]\n", + " PeriodicSite: S (15.12, 20.2, 4.912) [0.7443, 0.9943, 0.2418]\n", + " PeriodicSite: S (15.06, 20.18, 15.51) [0.7414, 0.9934, 0.7634]\n", + " PeriodicSite: S (15.49, 10.49, 5.012) [0.7628, 0.5165, 0.2468]\n", + " PeriodicSite: S (15.37, 10.3, 14.98) [0.7565, 0.5069, 0.7375]\n", + " PeriodicSite: S (5.09, 5.036, 0.008752) [0.2506, 0.2479, 0.0004327]\n", + " PeriodicSite: S (5.17, 4.922, 10.25) [0.2545, 0.2423, 0.5046]\n", + " PeriodicSite: S (5.263, 14.91, 0.1589) [0.2591, 0.7343, 0.007825]\n", + " PeriodicSite: S (5.167, 15.19, 10.07) [0.2544, 0.7478, 0.496]\n", + " PeriodicSite: S (15.45, 5.312, 0.1247) [0.7609, 0.2615, 0.006146]\n", + " PeriodicSite: S (15.01, 5.214, 10.2) [0.7389, 0.2567, 0.5023]\n", + " PeriodicSite: S (15.53, 15.48, 0.2192) [0.7643, 0.7622, 0.0108]\n", + " PeriodicSite: S (15.67, 14.93, 9.958) [0.7717, 0.735, 0.4903]\n", + " PeriodicSite: S (9.033, 3.636, 8.557) [0.4447, 0.179, 0.4213]\n", + " PeriodicSite: S (8.703, 4.417, 19.5) [0.4285, 0.2174, 0.9601]\n", + " PeriodicSite: S (9.608, 14.21, 8.876) [0.473, 0.6997, 0.437]\n", + " PeriodicSite: S (8.793, 14.81, 18.69) [0.4329, 0.7289, 0.9199]\n", + " PeriodicSite: S (19.24, 3.795, 9.118) [0.9472, 0.1868, 0.4489]\n", + " PeriodicSite: S (19.04, 4.238, 19.39) [0.9374, 0.2087, 0.9545]\n", + " PeriodicSite: S (19.17, 13.71, 8.948) [0.9438, 0.675, 0.4405]\n", + " PeriodicSite: S (19.52, 14.15, 18.86) [0.961, 0.6966, 0.9285]\n", + " PeriodicSite: S (3.594, 1.23, 0.8516) [0.1769, 0.06053, 0.04193]\n", + " PeriodicSite: S (4.029, 0.8262, 10.93) [0.1983, 0.04067, 0.5379]\n", + " PeriodicSite: S (3.808, 10.89, 1.588) [0.1875, 0.5359, 0.07819]\n", + " PeriodicSite: S (4.075, 11.61, 11.34) [0.2006, 0.5717, 0.5583]\n", + " PeriodicSite: S (14.16, 1.4, 1.139) [0.6971, 0.06891, 0.05606]\n", + " PeriodicSite: S (14.03, 1.368, 11.39) [0.6909, 0.06734, 0.5605]\n", + " PeriodicSite: S (13.94, 11.88, 1.186) [0.6864, 0.5846, 0.0584]\n", + " PeriodicSite: S (14.21, 11.28, 11.34) [0.6996, 0.5552, 0.5583]\n", + " PeriodicSite: S (6.398, 0.7278, 8.257) [0.315, 0.03583, 0.4065]\n", + " PeriodicSite: S (6.041, 1.073, 18.87) [0.2974, 0.05283, 0.9288]\n", + " PeriodicSite: S (6.798, 11.3, 9.392) [0.3347, 0.5563, 0.4624]\n", + " PeriodicSite: S (5.861, 11.46, 19.45) [0.2886, 0.5641, 0.9577]\n", + " PeriodicSite: S (16.51, 1.363, 8.974) [0.813, 0.0671, 0.4418]\n", + " PeriodicSite: S (16.42, 1.128, 18.96) [0.8084, 0.05555, 0.9336]\n", + " PeriodicSite: S (16.34, 10.88, 9.027) [0.8046, 0.5356, 0.4444]\n", + " PeriodicSite: S (16.45, 11.09, 19.19) [0.8098, 0.5462, 0.9446]\n", + " PeriodicSite: S (1.013, 4.517, 1.398) [0.04987, 0.2224, 0.06882]\n", + " PeriodicSite: S (1.176, 3.735, 11.47) [0.05788, 0.1839, 0.5646]\n", + " PeriodicSite: S (1.01, 14.05, 1.219) [0.04974, 0.6918, 0.06001]\n", + " PeriodicSite: S (1.309, 14.34, 11.54) [0.06444, 0.7059, 0.568]\n", + " PeriodicSite: S (11.35, 4.077, 1.266) [0.5587, 0.2007, 0.06233]\n", + " PeriodicSite: S (11.08, 3.769, 11.36) [0.5454, 0.1855, 0.5593]\n", + " PeriodicSite: S (11.21, 14.24, 0.8003) [0.5519, 0.7011, 0.0394]\n", + " PeriodicSite: S (11.84, 14.0, 11.3) [0.5831, 0.689, 0.5563]\n", + " PeriodicSite: S (2.245, 2.858, 17.83) [0.1105, 0.1407, 0.8777]\n", + " PeriodicSite: S (2.803, 12.39, 7.677) [0.138, 0.61, 0.378]\n", + " PeriodicSite: S (12.95, 2.408, 7.675) [0.6377, 0.1185, 0.3778]\n", + " PeriodicSite: S (9.068, 9.025, 4.07) [0.4464, 0.4443, 0.2004]\n", + " PeriodicSite: S (9.039, 8.747, 13.83) [0.445, 0.4306, 0.6808]\n", + " PeriodicSite: S (8.839, 19.27, 3.777) [0.4352, 0.9485, 0.186]\n", + " PeriodicSite: S (8.662, 19.23, 13.74) [0.4265, 0.9468, 0.6764]\n", + " PeriodicSite: S (18.83, 9.044, 3.642) [0.9271, 0.4453, 0.1793]\n", + " PeriodicSite: S (19.42, 8.551, 14.3) [0.9562, 0.421, 0.7041]\n", + " PeriodicSite: S (18.9, 19.17, 4.043) [0.9304, 0.9438, 0.1991]\n", + " PeriodicSite: S (18.91, 19.15, 13.84) [0.9311, 0.9426, 0.6815]\n", + " PeriodicSite: S (3.89, 6.339, 6.209) [0.1915, 0.3121, 0.3057]\n", + " PeriodicSite: S (3.823, 6.469, 16.44) [0.1882, 0.3185, 0.8093]\n", + " PeriodicSite: S (4.218, 16.03, 6.33) [0.2077, 0.7894, 0.3116]\n", + " PeriodicSite: S (3.748, 16.46, 16.4) [0.1845, 0.8101, 0.8074]\n", + " PeriodicSite: S (14.02, 6.391, 6.327) [0.6905, 0.3146, 0.3115]\n", + " PeriodicSite: S (13.42, 6.519, 16.52) [0.6606, 0.3209, 0.8135]\n", + " PeriodicSite: S (14.35, 16.73, 6.392) [0.7066, 0.8235, 0.3147]\n", + " PeriodicSite: S (14.01, 16.24, 16.4) [0.6895, 0.7997, 0.8073]\n", + " PeriodicSite: S (6.501, 6.02, 4.059) [0.32, 0.2964, 0.1998]\n", + " PeriodicSite: S (5.963, 6.491, 13.81) [0.2936, 0.3196, 0.6798]\n", + " PeriodicSite: S (6.51, 16.0, 3.697) [0.3205, 0.7877, 0.182]\n", + " PeriodicSite: S (6.604, 16.28, 14.29) [0.3251, 0.8016, 0.7035]\n", + " PeriodicSite: S (16.53, 6.077, 4.009) [0.8138, 0.2992, 0.1974]\n", + " PeriodicSite: S (16.22, 6.536, 14.32) [0.7985, 0.3218, 0.705]\n", + " PeriodicSite: S (16.59, 16.62, 3.983) [0.8168, 0.8181, 0.1961]\n", + " PeriodicSite: S (16.12, 16.36, 13.59) [0.7935, 0.8055, 0.6692]\n", + " PeriodicSite: S (0.9688, 8.519, 5.894) [0.04769, 0.4194, 0.2902]\n", + " PeriodicSite: S (1.234, 9.191, 16.55) [0.06076, 0.4525, 0.8146]\n", + " PeriodicSite: S (0.8165, 19.1, 6.351) [0.04019, 0.9403, 0.3127]\n", + " PeriodicSite: S (1.216, 19.02, 16.02) [0.05987, 0.9365, 0.7887]\n", + " PeriodicSite: S (11.38, 9.134, 6.554) [0.56, 0.4497, 0.3226]\n", + " PeriodicSite: S (11.15, 9.154, 16.4) [0.5489, 0.4507, 0.8072]\n", + " PeriodicSite: S (11.58, 19.2, 5.883) [0.57, 0.9452, 0.2896]\n", + " PeriodicSite: S (11.02, 19.08, 15.99) [0.5423, 0.9393, 0.7871]\n", + " PeriodicSite: S (2.73, 17.37, 2.501) [0.1344, 0.8549, 0.1231]\n", + " PeriodicSite: S (2.183, 17.71, 12.65) [0.1074, 0.872, 0.6228]\n", + " PeriodicSite: S (12.81, 7.439, 12.55) [0.6306, 0.3662, 0.618]\n", + " PeriodicSite: S (12.86, 17.48, 2.613) [0.6329, 0.8604, 0.1286]\n", + " PeriodicSite: S (3.844, 3.862, 3.911) [0.1892, 0.1901, 0.1926]\n", + " PeriodicSite: S (3.56, 4.091, 13.86) [0.1753, 0.2014, 0.6822]\n", + " PeriodicSite: S (3.731, 13.96, 3.88) [0.1837, 0.6874, 0.191]\n", + " PeriodicSite: S (4.15, 14.07, 13.97) [0.2043, 0.6927, 0.6879]\n", + " PeriodicSite: S (14.11, 3.838, 3.919) [0.6945, 0.1889, 0.1929]\n", + " PeriodicSite: S (14.07, 4.082, 14.19) [0.6928, 0.2009, 0.6984]\n", + " PeriodicSite: S (14.17, 14.29, 4.255) [0.6977, 0.7035, 0.2095]\n", + " PeriodicSite: S (14.05, 13.89, 14.26) [0.6917, 0.684, 0.702]\n", + " PeriodicSite: S (8.957, 1.149, 6.038) [0.441, 0.05657, 0.2973]\n", + " PeriodicSite: S (8.845, 1.332, 16.19) [0.4355, 0.06555, 0.7972]\n", + " PeriodicSite: S (8.944, 11.16, 6.658) [0.4403, 0.5492, 0.3278]\n", + " PeriodicSite: S (8.245, 11.15, 16.28) [0.4059, 0.5488, 0.8014]\n", + " PeriodicSite: S (19.17, 1.364, 6.518) [0.9435, 0.06714, 0.3209]\n", + " PeriodicSite: S (19.06, 0.9948, 16.46) [0.9384, 0.04897, 0.8104]\n", + " PeriodicSite: S (18.8, 11.07, 6.293) [0.9254, 0.5451, 0.3098]\n", + " PeriodicSite: S (18.98, 11.15, 16.43) [0.9345, 0.5491, 0.8087]\n", + " PeriodicSite: S (1.08, 1.254, 4.084) [0.05318, 0.06174, 0.2011]\n", + " PeriodicSite: S (0.8921, 1.194, 13.81) [0.04392, 0.05879, 0.6798]\n", + " PeriodicSite: S (1.193, 11.37, 4.223) [0.05873, 0.5597, 0.2079]\n", + " PeriodicSite: S (0.9522, 11.09, 13.89) [0.04688, 0.546, 0.6838]\n", + " PeriodicSite: S (11.33, 1.008, 3.47) [0.5576, 0.04962, 0.1709]\n", + " PeriodicSite: S (11.07, 1.275, 13.91) [0.5452, 0.06275, 0.6848]\n", + " PeriodicSite: S (11.09, 11.74, 4.291) [0.5459, 0.5781, 0.2113]\n", + " PeriodicSite: S (10.93, 11.64, 14.19) [0.538, 0.5729, 0.6984]\n", + " PeriodicSite: S (5.884, 3.941, 6.71) [0.2897, 0.194, 0.3304]\n", + " PeriodicSite: S (6.116, 4.009, 16.08) [0.3011, 0.1974, 0.7918]\n", + " PeriodicSite: S (6.313, 13.58, 6.149) [0.3108, 0.6686, 0.3027]\n", + " PeriodicSite: S (5.937, 14.19, 16.79) [0.2923, 0.6988, 0.8265]\n", + " PeriodicSite: S (16.38, 3.989, 6.621) [0.8065, 0.1964, 0.3259]\n", + " PeriodicSite: S (15.76, 4.212, 16.88) [0.7757, 0.2074, 0.8311]\n", + " PeriodicSite: S (16.6, 14.34, 6.569) [0.8174, 0.7058, 0.3234]\n", + " PeriodicSite: S (16.67, 14.37, 16.46) [0.8207, 0.7076, 0.8102]\n", + " PeriodicSite: S (7.436, 2.384, 12.46) [0.3661, 0.1174, 0.6134]\n", + " PeriodicSite: S (7.626, 12.52, 2.465) [0.3754, 0.6162, 0.1214]\n", + " PeriodicSite: S (17.9, 2.423, 2.66) [0.8812, 0.1193, 0.1309]\n", + " PeriodicSite: S (18.07, 12.91, 2.615) [0.8895, 0.6353, 0.1288]\n", + " PeriodicSite: S (17.5, 12.5, 12.58) [0.8614, 0.6156, 0.6193]\n", + " PeriodicSite: S (4.048, 9.126, 9.301) [0.1993, 0.4493, 0.4579]\n", + " PeriodicSite: S (3.852, 8.865, 19.2) [0.1897, 0.4364, 0.9451]\n", + " PeriodicSite: S (4.137, 18.83, 8.799) [0.2037, 0.927, 0.4332]\n", + " PeriodicSite: S (3.448, 19.13, 19.0) [0.1697, 0.9416, 0.9355]\n", + " PeriodicSite: S (13.61, 8.707, 9.035) [0.6702, 0.4286, 0.4448]\n", + " PeriodicSite: S (13.64, 9.236, 19.26) [0.6714, 0.4547, 0.9482]\n", + " PeriodicSite: S (14.43, 19.28, 9.157) [0.7104, 0.9494, 0.4508]\n", + " PeriodicSite: S (13.89, 19.13, 19.12) [0.6836, 0.9416, 0.9415]\n", + " PeriodicSite: S (9.145, 6.421, 1.824) [0.4502, 0.3161, 0.08978]\n", + " PeriodicSite: S (8.77, 6.078, 10.92) [0.4318, 0.2992, 0.5376]\n", + " PeriodicSite: S (9.205, 16.61, 1.221) [0.4532, 0.8179, 0.06013]\n", + " PeriodicSite: S (9.587, 16.11, 11.55) [0.472, 0.7932, 0.5688]\n", + " PeriodicSite: S (18.94, 7.097, 0.9282) [0.9326, 0.3494, 0.0457]\n", + " PeriodicSite: S (19.2, 6.422, 11.41) [0.9455, 0.3161, 0.5615]\n", + " PeriodicSite: S (19.16, 16.61, 0.8379) [0.943, 0.8176, 0.04126]\n", + " PeriodicSite: S (19.26, 16.51, 10.91) [0.9482, 0.8128, 0.537]\n", + " PeriodicSite: S (1.446, 6.019, 8.935) [0.07117, 0.2963, 0.4399]\n", + " PeriodicSite: S (1.261, 6.741, 19.37) [0.06206, 0.3319, 0.9535]\n", + " PeriodicSite: S (1.256, 16.05, 8.571) [0.06181, 0.7901, 0.4219]\n", + " PeriodicSite: S (1.533, 16.31, 19.05) [0.07547, 0.803, 0.9378]\n", + " PeriodicSite: S (11.4, 5.988, 8.742) [0.5612, 0.2948, 0.4304]\n", + " PeriodicSite: S (11.46, 6.601, 19.57) [0.5642, 0.325, 0.9636]\n", + " PeriodicSite: S (11.79, 16.72, 9.297) [0.5805, 0.823, 0.4577]\n", + " PeriodicSite: S (11.62, 16.53, 19.0) [0.5723, 0.8135, 0.9355]\n", + " PeriodicSite: S (6.39, 8.847, 0.9605) [0.3146, 0.4355, 0.04729]\n", + " PeriodicSite: S (6.298, 9.036, 11.66) [0.31, 0.4449, 0.574]\n", + " PeriodicSite: S (5.907, 19.13, 1.003) [0.2908, 0.9417, 0.04939]\n", + " PeriodicSite: S (6.705, 19.17, 11.11) [0.3301, 0.9437, 0.5471]\n", + " PeriodicSite: S (16.04, 9.317, 1.441) [0.7898, 0.4587, 0.07092]\n", + " PeriodicSite: S (16.23, 8.427, 11.19) [0.7991, 0.4148, 0.551]\n", + " PeriodicSite: S (16.55, 19.31, 1.046) [0.8149, 0.9509, 0.0515]\n", + " PeriodicSite: S (16.55, 19.52, 11.63) [0.8147, 0.9609, 0.5726]\n", + " PeriodicSite: S (7.376, 7.787, 17.3) [0.3632, 0.3834, 0.8515]\n", + " PeriodicSite: S (7.926, 17.52, 7.836) [0.3902, 0.8624, 0.3858]\n", + " PeriodicSite: S (17.82, 7.413, 7.596) [0.8774, 0.365, 0.3739]\n", + " PeriodicSite: S (17.84, 17.84, 7.712) [0.8785, 0.8785, 0.3797]\n", + " PeriodicSite: P (4.782, 20.26, 19.99) [0.2354, 0.9974, 0.984]\n", + " PeriodicSite: P (5.397, 20.08, 9.794) [0.2657, 0.9887, 0.4822]\n", + " PeriodicSite: P (4.928, 10.03, 0.2736) [0.2426, 0.494, 0.01347]\n", + " PeriodicSite: P (5.316, 10.31, 10.34) [0.2617, 0.5077, 0.5089]\n", + " PeriodicSite: P (15.17, 0.14, 20.21) [0.747, 0.006889, 0.9948]\n", + " PeriodicSite: P (15.42, 0.3194, 10.44) [0.7593, 0.01572, 0.5138]\n", + " PeriodicSite: P (14.91, 10.41, 0.1238) [0.734, 0.5125, 0.006099]\n", + " PeriodicSite: P (15.05, 9.801, 10.25) [0.7411, 0.4825, 0.5048]\n", + " PeriodicSite: P (5.144, 5.031, 5.195) [0.2532, 0.2477, 0.2557]\n", + " PeriodicSite: P (4.757, 5.342, 14.98) [0.2342, 0.263, 0.7373]\n", + " PeriodicSite: P (5.182, 14.86, 4.98) [0.2551, 0.7317, 0.2452]\n", + " PeriodicSite: P (5.058, 15.32, 15.31) [0.249, 0.7544, 0.7537]\n", + " PeriodicSite: P (15.22, 5.116, 5.332) [0.7493, 0.2519, 0.2625]\n", + " PeriodicSite: P (14.93, 5.431, 15.45) [0.7352, 0.2674, 0.7606]\n", + " PeriodicSite: P (15.46, 15.44, 5.292) [0.7612, 0.7603, 0.2606]\n", + " PeriodicSite: P (15.32, 15.26, 15.15) [0.7543, 0.7515, 0.746]\n", + " PeriodicSite: P (20.09, 0.05835, 5.225) [0.9891, 0.002864, 0.2572]\n", + " PeriodicSite: P (20.15, 0.03766, 15.02) [0.992, 0.001846, 0.7393]\n", + " PeriodicSite: P (20.12, 10.1, 4.988) [0.9903, 0.4973, 0.2456]\n", + " PeriodicSite: P (20.28, 10.08, 15.35) [0.9985, 0.4963, 0.7558]\n", + " PeriodicSite: P (10.29, 20.22, 4.799) [0.5068, 0.9952, 0.2363]\n", + " PeriodicSite: P (9.888, 0.0403, 14.99) [0.4868, 0.001981, 0.7378]\n", + " PeriodicSite: P (10.22, 10.24, 5.307) [0.5029, 0.5042, 0.2612]\n", + " PeriodicSite: P (9.776, 10.3, 15.18) [0.4813, 0.5069, 0.7471]\n", + " PeriodicSite: P (20.16, 5.614, 0.1371) [0.9923, 0.2764, 0.006758]\n", + " PeriodicSite: P (0.2073, 5.042, 10.29) [0.01021, 0.2482, 0.5067]\n", + " PeriodicSite: P (0.1483, 15.3, 20.22) [0.007301, 0.7531, 0.9953]\n", + " PeriodicSite: P (0.1173, 15.06, 9.94) [0.005769, 0.7416, 0.4893]\n", + " PeriodicSite: P (10.2, 5.381, 0.3013) [0.502, 0.2649, 0.01484]\n", + " PeriodicSite: P (10.11, 4.787, 9.899) [0.4976, 0.2357, 0.4874]\n", + " PeriodicSite: P (10.12, 15.52, 20.05) [0.4984, 0.764, 0.9873]\n", + " PeriodicSite: P (10.72, 15.24, 10.15) [0.5275, 0.7503, 0.4999],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.784, 6.075, 4.966) [0.08781, 0.2991, 0.2445]\n", + " PeriodicSite: Li (1.556, 2.876, 14.8) [0.07659, 0.1416, 0.7284]\n", + " PeriodicSite: Li (0.3881, 11.66, 7.976) [0.0191, 0.574, 0.3927]\n", + " PeriodicSite: Li (1.563, 14.62, 16.79) [0.07694, 0.7197, 0.8265]\n", + " PeriodicSite: Li (14.85, 1.021, 7.314) [0.731, 0.05027, 0.3601]\n", + " PeriodicSite: Li (12.17, 3.232, 15.62) [0.599, 0.1591, 0.7691]\n", + " PeriodicSite: Li (13.32, 11.14, 3.683) [0.6555, 0.5485, 0.1813]\n", + " PeriodicSite: Li (17.11, 8.496, 15.7) [0.8426, 0.4183, 0.7728]\n", + " PeriodicSite: Li (3.593, 4.914, 8.751) [0.1769, 0.2419, 0.4308]\n", + " PeriodicSite: Li (1.21, 2.512, 20.02) [0.05959, 0.1237, 0.9854]\n", + " PeriodicSite: Li (4.621, 7.674, 4.192) [0.2275, 0.3778, 0.2064]\n", + " PeriodicSite: Li (7.178, 10.02, 17.66) [0.3534, 0.4935, 0.8695]\n", + " PeriodicSite: Li (11.89, 4.766, 7.113) [0.5852, 0.2346, 0.3502]\n", + " PeriodicSite: Li (12.1, 1.917, 20.12) [0.5959, 0.09438, 0.9906]\n", + " PeriodicSite: Li (11.85, 9.537, 12.25) [0.5832, 0.4695, 0.6032]\n", + " PeriodicSite: Li (11.19, 19.05, 18.56) [0.5507, 0.938, 0.9136]\n", + " PeriodicSite: Li (5.014, 1.528, 6.554) [0.2469, 0.07521, 0.3227]\n", + " PeriodicSite: Li (3.279, 19.76, 13.61) [0.1614, 0.9729, 0.6701]\n", + " PeriodicSite: Li (3.258, 10.06, 6.918) [0.1604, 0.4954, 0.3406]\n", + " PeriodicSite: Li (6.815, 10.03, 14.18) [0.3355, 0.4936, 0.6982]\n", + " PeriodicSite: Li (12.38, 0.7289, 9.433) [0.6094, 0.03588, 0.4644]\n", + " PeriodicSite: Li (9.87, 2.594, 17.65) [0.4859, 0.1277, 0.8689]\n", + " PeriodicSite: Li (13.74, 14.85, 8.294) [0.6763, 0.731, 0.4083]\n", + " PeriodicSite: Li (12.3, 10.81, 18.89) [0.6056, 0.5321, 0.9299]\n", + " PeriodicSite: Li (0.273, 3.128, 7.103) [0.01344, 0.154, 0.3497]\n", + " PeriodicSite: Li (0.7099, 3.931, 17.51) [0.03495, 0.1935, 0.8618]\n", + " PeriodicSite: Li (2.098, 14.4, 6.462) [0.1033, 0.7089, 0.3181]\n", + " PeriodicSite: Li (4.867, 14.33, 18.58) [0.2396, 0.7055, 0.9148]\n", + " PeriodicSite: Li (13.06, 1.661, 5.35) [0.643, 0.08178, 0.2634]\n", + " PeriodicSite: Li (14.4, 1.048, 17.27) [0.709, 0.0516, 0.8504]\n", + " PeriodicSite: Li (11.16, 12.07, 9.558) [0.5493, 0.594, 0.4706]\n", + " PeriodicSite: Li (17.2, 17.1, 19.93) [0.8466, 0.842, 0.9812]\n", + " PeriodicSite: Li (6.867, 0.3846, 4.693) [0.3381, 0.01893, 0.2311]\n", + " PeriodicSite: Li (0.1571, 17.99, 3.115) [0.007726, 0.8858, 0.1533]\n", + " PeriodicSite: Li (3.033, 14.2, 9.454) [0.1493, 0.6989, 0.4654]\n", + " PeriodicSite: Li (2.103, 17.26, 14.99) [0.1036, 0.8498, 0.7382]\n", + " PeriodicSite: Li (15.08, 3.321, 8.601) [0.7422, 0.1635, 0.4235]\n", + " PeriodicSite: Li (13.35, 4.853, 18.6) [0.6572, 0.2389, 0.9159]\n", + " PeriodicSite: Li (18.18, 15.2, 8.183) [0.8949, 0.7482, 0.4029]\n", + " PeriodicSite: Li (10.1, 12.71, 17.69) [0.497, 0.6259, 0.8709]\n", + " PeriodicSite: Li (3.535, 1.661, 4.06) [0.174, 0.08177, 0.1999]\n", + " PeriodicSite: Li (1.6, 0.5497, 18.09) [0.07878, 0.02706, 0.8907]\n", + " PeriodicSite: Li (4.281, 12.12, 5.564) [0.2108, 0.5967, 0.2739]\n", + " PeriodicSite: Li (18.24, 13.48, 4.616) [0.898, 0.6638, 0.2272]\n", + " PeriodicSite: Li (10.38, 2.229, 7.919) [0.5109, 0.1097, 0.3899]\n", + " PeriodicSite: Li (17.18, 19.82, 15.67) [0.846, 0.9756, 0.7715]\n", + " PeriodicSite: Li (13.4, 10.26, 7.072) [0.6599, 0.5049, 0.3482]\n", + " PeriodicSite: Li (14.58, 8.453, 17.38) [0.7178, 0.4161, 0.8557]\n", + " PeriodicSite: Li (2.639, 12.29, 15.13) [0.1299, 0.6051, 0.7448]\n", + " PeriodicSite: Li (2.614, 10.63, 9.533) [0.1287, 0.5231, 0.4693]\n", + " PeriodicSite: Li (1.98, 15.46, 3.287) [0.09749, 0.7613, 0.1618]\n", + " PeriodicSite: Li (1.844, 1.889, 10.13) [0.09079, 0.09298, 0.4986]\n", + " PeriodicSite: Li (12.47, 5.577, 4.053) [0.6139, 0.2746, 0.1995]\n", + " PeriodicSite: Li (11.87, 7.125, 15.36) [0.5843, 0.3508, 0.756]\n", + " PeriodicSite: Li (10.84, 13.7, 6.797) [0.5338, 0.6743, 0.3346]\n", + " PeriodicSite: Li (12.64, 19.73, 14.37) [0.6221, 0.9715, 0.7076]\n", + " PeriodicSite: Li (2.763, 6.399, 0.9942) [0.136, 0.315, 0.04895]\n", + " PeriodicSite: Li (3.192, 5.528, 12.19) [0.1572, 0.2721, 0.6002]\n", + " PeriodicSite: Li (6.861, 16.71, 19.35) [0.3378, 0.8227, 0.9528]\n", + " PeriodicSite: Li (4.808, 18.07, 16.57) [0.2367, 0.8895, 0.8155]\n", + " PeriodicSite: Li (14.5, 5.271, 2.422) [0.7141, 0.2595, 0.1192]\n", + " PeriodicSite: Li (11.05, 5.744, 12.63) [0.5439, 0.2828, 0.622]\n", + " PeriodicSite: Li (12.68, 16.27, 4.603) [0.6241, 0.8008, 0.2266]\n", + " PeriodicSite: Li (10.41, 17.46, 13.54) [0.5123, 0.8595, 0.6664]\n", + " PeriodicSite: Li (3.921, 10.58, 17.5) [0.1931, 0.5207, 0.8617]\n", + " PeriodicSite: Li (4.615, 7.437, 10.85) [0.2272, 0.3661, 0.5343]\n", + " PeriodicSite: Li (4.712, 17.1, 1.733) [0.232, 0.8417, 0.08532]\n", + " PeriodicSite: Li (2.651, 17.85, 10.45) [0.1305, 0.8786, 0.5146]\n", + " PeriodicSite: Li (11.16, 8.112, 1.122) [0.5496, 0.3994, 0.05523]\n", + " PeriodicSite: Li (14.77, 5.959, 12.38) [0.727, 0.2934, 0.6094]\n", + " PeriodicSite: Li (10.98, 16.33, 2.28) [0.5406, 0.8039, 0.1122]\n", + " PeriodicSite: Li (14.26, 15.48, 12.63) [0.7019, 0.7622, 0.622]\n", + " PeriodicSite: Li (20.29, 8.608, 1.479) [0.9991, 0.4238, 0.0728]\n", + " PeriodicSite: Li (17.51, 4.841, 10.97) [0.862, 0.2383, 0.5399]\n", + " PeriodicSite: Li (2.735, 18.16, 4.626) [0.1347, 0.8941, 0.2277]\n", + " PeriodicSite: Li (0.2862, 19.41, 12.25) [0.01408, 0.9556, 0.6031]\n", + " PeriodicSite: Li (9.909, 7.41, 5.509) [0.4879, 0.3648, 0.2712]\n", + " PeriodicSite: Li (12.97, 10.98, 15.44) [0.6385, 0.5406, 0.7602]\n", + " PeriodicSite: Li (14.61, 15.41, 2.485) [0.7195, 0.7585, 0.1223]\n", + " PeriodicSite: Li (11.55, 15.24, 16.64) [0.5684, 0.7503, 0.8193]\n", + " PeriodicSite: Li (7.182, 8.237, 5.568) [0.3536, 0.4055, 0.2741]\n", + " PeriodicSite: Li (20.09, 12.14, 11.39) [0.989, 0.5978, 0.5607]\n", + " PeriodicSite: Li (18.76, 16.78, 5.568) [0.9236, 0.8263, 0.2741]\n", + " PeriodicSite: Li (6.944, 18.87, 14.39) [0.3418, 0.9287, 0.7082]\n", + " PeriodicSite: Li (16.48, 10.92, 3.66) [0.8114, 0.5376, 0.1802]\n", + " PeriodicSite: Li (13.33, 7.149, 10.68) [0.6561, 0.3519, 0.5259]\n", + " PeriodicSite: Li (13.33, 17.31, 0.2996) [0.6561, 0.852, 0.01476]\n", + " PeriodicSite: Li (12.67, 17.67, 10.41) [0.6235, 0.8697, 0.5126]\n", + " PeriodicSite: Li (4.727, 3.168, 18.8) [0.2327, 0.1559, 0.9255]\n", + " PeriodicSite: Li (3.582, 10.11, 13.67) [0.1763, 0.4976, 0.6732]\n", + " PeriodicSite: Li (4.392, 19.58, 2.743) [0.2162, 0.964, 0.1351]\n", + " PeriodicSite: Li (0.7222, 16.08, 12.67) [0.03555, 0.7915, 0.6236]\n", + " PeriodicSite: Li (15.04, 8.182, 3.999) [0.7403, 0.4028, 0.1969]\n", + " PeriodicSite: Li (14.67, 8.499, 13.68) [0.7224, 0.4184, 0.6733]\n", + " PeriodicSite: Li (12.95, 19.52, 4.199) [0.6374, 0.9612, 0.2067]\n", + " PeriodicSite: Li (18.48, 4.981, 14.93) [0.91, 0.2452, 0.735]\n", + " PeriodicSite: Li (9.82, 2.912, 3.095) [0.4835, 0.1434, 0.1524]\n", + " PeriodicSite: Li (8.539, 0.5616, 11.63) [0.4204, 0.02764, 0.5725]\n", + " PeriodicSite: Li (5.976, 10.69, 2.939) [0.2942, 0.5265, 0.1447]\n", + " PeriodicSite: Li (6.314, 12.28, 14.85) [0.3108, 0.6048, 0.731]\n", + " PeriodicSite: Li (18.17, 3.922, 4.509) [0.8946, 0.1931, 0.222]\n", + " PeriodicSite: Li (13.02, 4.205, 9.69) [0.6411, 0.207, 0.477]\n", + " PeriodicSite: Li (19.89, 12.95, 2.913) [0.9793, 0.6378, 0.1434]\n", + " PeriodicSite: Li (17.35, 10.21, 13.14) [0.8542, 0.5026, 0.6468]\n", + " PeriodicSite: Li (5.549, 18.21, 6.427) [0.2732, 0.8963, 0.3164]\n", + " PeriodicSite: Li (9.362, 3.376, 13.2) [0.4609, 0.1662, 0.6497]\n", + " PeriodicSite: Li (6.971, 13.43, 19.96) [0.3432, 0.6611, 0.9828]\n", + " PeriodicSite: Li (9.655, 13.69, 13.08) [0.4753, 0.6741, 0.6439]\n", + " PeriodicSite: Li (15.23, 18.48, 3.171) [0.7498, 0.9096, 0.1561]\n", + " PeriodicSite: Li (17.95, 1.032, 12.53) [0.8837, 0.05079, 0.617]\n", + " PeriodicSite: Li (17.51, 14.99, 1.698) [0.8619, 0.7379, 0.08361]\n", + " PeriodicSite: Li (17.34, 14.82, 12.37) [0.8538, 0.7297, 0.6092]\n", + " PeriodicSite: Li (8.216, 4.109, 5.017) [0.4045, 0.2023, 0.247]\n", + " PeriodicSite: Li (5.972, 0.5277, 12.48) [0.294, 0.02598, 0.6145]\n", + " PeriodicSite: Li (10.29, 12.04, 1.82) [0.5066, 0.5926, 0.0896]\n", + " PeriodicSite: Li (6.098, 13.4, 11.44) [0.3002, 0.6596, 0.563]\n", + " PeriodicSite: Li (20.07, 2.384, 2.566) [0.9878, 0.1174, 0.1263]\n", + " PeriodicSite: Li (0.08936, 8.583, 12.03) [0.004399, 0.4225, 0.5921]\n", + " PeriodicSite: Li (15.53, 13.1, 0.8788) [0.7645, 0.6448, 0.04327]\n", + " PeriodicSite: Li (15.43, 12.14, 13.3) [0.7594, 0.5979, 0.6548]\n", + " PeriodicSite: Li (2.692, 0.1574, 6.815) [0.1325, 0.007746, 0.3355]\n", + " PeriodicSite: Li (6.654, 2.354, 14.59) [0.3276, 0.1159, 0.718]\n", + " PeriodicSite: Li (5.901, 13.37, 1.85) [0.2905, 0.6582, 0.09109]\n", + " PeriodicSite: Li (7.962, 6.668, 15.27) [0.392, 0.3283, 0.7518]\n", + " PeriodicSite: Li (16.96, 4.779, 1.859) [0.8351, 0.2352, 0.09151]\n", + " PeriodicSite: Li (14.94, 18.88, 12.95) [0.7355, 0.9295, 0.6377]\n", + " PeriodicSite: Li (13.47, 14.39, 19.41) [0.6632, 0.7084, 0.9555]\n", + " PeriodicSite: Li (17.11, 12.97, 10.37) [0.8423, 0.6387, 0.5104]\n", + " PeriodicSite: Li (7.181, 4.966, 0.9801) [0.3535, 0.2445, 0.04825]\n", + " PeriodicSite: Li (5.145, 3.255, 11.82) [0.2533, 0.1602, 0.5817]\n", + " PeriodicSite: Li (7.991, 10.56, 0.731) [0.3934, 0.5198, 0.03599]\n", + " PeriodicSite: Li (8.3, 10.11, 11.99) [0.4086, 0.4977, 0.5902]\n", + " PeriodicSite: Li (15.16, 2.059, 3.416) [0.7464, 0.1013, 0.1682]\n", + " PeriodicSite: Li (15.15, 3.127, 11.74) [0.7459, 0.154, 0.578]\n", + " PeriodicSite: Li (1.066, 12.43, 19.24) [0.05248, 0.612, 0.9471]\n", + " PeriodicSite: Li (18.98, 12.99, 14.68) [0.9344, 0.6395, 0.7225]\n", + " PeriodicSite: Li (7.353, 0.5652, 0.4681) [0.362, 0.02782, 0.02305]\n", + " PeriodicSite: Li (7.093, 3.239, 9.993) [0.3492, 0.1594, 0.4919]\n", + " PeriodicSite: Li (8.11, 12.7, 4.552) [0.3993, 0.6253, 0.2241]\n", + " PeriodicSite: Li (4.268, 15.77, 12.0) [0.2101, 0.7762, 0.591]\n", + " PeriodicSite: Li (15.74, 2.85, 0.6562) [0.775, 0.1403, 0.03231]\n", + " PeriodicSite: Li (1.536, 7.115, 14.97) [0.07561, 0.3503, 0.7368]\n", + " PeriodicSite: Li (5.024, 12.8, 8.908) [0.2474, 0.6303, 0.4386]\n", + " PeriodicSite: Li (14.06, 12.91, 9.926) [0.6924, 0.6357, 0.4887]\n", + " PeriodicSite: Li (15.38, 12.08, 6.38) [0.7572, 0.5946, 0.3141]\n", + " PeriodicSite: Li (5.148, 8.123, 16.13) [0.2534, 0.3999, 0.7941]\n", + " PeriodicSite: Li (6.973, 15.18, 8.216) [0.3433, 0.7475, 0.4045]\n", + " PeriodicSite: Li (1.453, 18.37, 0.4215) [0.07154, 0.9043, 0.02075]\n", + " PeriodicSite: Li (17.06, 9.579, 6.823) [0.8398, 0.4716, 0.3359]\n", + " PeriodicSite: Li (3.004, 4.855, 18.16) [0.1479, 0.239, 0.8942]\n", + " PeriodicSite: Li (17.3, 1.472, 4.631) [0.8517, 0.07247, 0.228]\n", + " PeriodicSite: Li (18.19, 0.4535, 18.51) [0.8956, 0.02232, 0.9113]\n", + " PeriodicSite: Li (6.359, 10.68, 7.254) [0.3131, 0.5258, 0.3571]\n", + " PeriodicSite: Li (6.743, 5.398, 18.27) [0.332, 0.2657, 0.8993]\n", + " PeriodicSite: Li (8.052, 19.9, 8.06) [0.3964, 0.9799, 0.3968]\n", + " PeriodicSite: Li (7.634, 15.95, 16.16) [0.3758, 0.7853, 0.7955]\n", + " PeriodicSite: Li (18.19, 8.453, 9.855) [0.8958, 0.4161, 0.4852]\n", + " PeriodicSite: Li (17.91, 8.984, 20.1) [0.8819, 0.4423, 0.9894]\n", + " PeriodicSite: Li (18.01, 20.22, 8.095) [0.8866, 0.9955, 0.3985]\n", + " PeriodicSite: Li (18.34, 16.02, 16.36) [0.9031, 0.7886, 0.8054]\n", + " PeriodicSite: Li (7.151, 5.968, 8.82) [0.3521, 0.2938, 0.4342]\n", + " PeriodicSite: Li (4.483, 2.229, 16.23) [0.2207, 0.1097, 0.7991]\n", + " PeriodicSite: Li (8.74, 17.92, 9.775) [0.4303, 0.8824, 0.4813]\n", + " PeriodicSite: Li (16.61, 11.41, 16.7) [0.818, 0.5617, 0.8219]\n", + " PeriodicSite: Li (20.16, 7.814, 8.2) [0.9924, 0.3847, 0.4037]\n", + " PeriodicSite: Li (16.8, 5.409, 18.69) [0.8272, 0.2663, 0.9203]\n", + " PeriodicSite: Li (16.3, 17.06, 9.723) [0.8026, 0.8398, 0.4787]\n", + " PeriodicSite: Li (15.69, 15.22, 18.18) [0.7726, 0.7494, 0.8948]\n", + " PeriodicSite: Li (9.783, 8.1, 9.154) [0.4816, 0.3988, 0.4507]\n", + " PeriodicSite: Li (4.875, 4.09, 1.65) [0.24, 0.2014, 0.08124]\n", + " PeriodicSite: Li (5.976, 17.17, 9.43) [0.2942, 0.8455, 0.4642]\n", + " PeriodicSite: Li (7.882, 15.0, 1.958) [0.388, 0.7385, 0.09638]\n", + " PeriodicSite: Li (15.52, 6.888, 8.342) [0.764, 0.3391, 0.4107]\n", + " PeriodicSite: Li (20.3, 8.397, 18.23) [0.9992, 0.4134, 0.8975]\n", + " PeriodicSite: Li (16.21, 18.53, 5.928) [0.7983, 0.9122, 0.2918]\n", + " PeriodicSite: Li (14.98, 18.46, 16.58) [0.7377, 0.9087, 0.8161]\n", + " PeriodicSite: Li (6.899, 5.491, 11.97) [0.3396, 0.2703, 0.5893]\n", + " PeriodicSite: Li (5.839, 7.633, 19.26) [0.2874, 0.3758, 0.9482]\n", + " PeriodicSite: Li (8.122, 16.5, 5.733) [0.3998, 0.8125, 0.2823]\n", + " PeriodicSite: Li (10.73, 19.15, 1.553) [0.5283, 0.9426, 0.07644]\n", + " PeriodicSite: Li (18.4, 7.305, 5.442) [0.9056, 0.3596, 0.2679]\n", + " PeriodicSite: Li (14.65, 7.32, 0.6506) [0.7214, 0.3604, 0.03204]\n", + " PeriodicSite: Li (19.99, 18.18, 8.622) [0.9839, 0.8949, 0.4245]\n", + " PeriodicSite: Li (18.19, 0.456, 1.922) [0.8957, 0.02244, 0.09465]\n", + " PeriodicSite: Li (3.279, 10.0, 3.458) [0.1614, 0.4924, 0.1702]\n", + " PeriodicSite: Li (9.978, 7.613, 18.07) [0.4912, 0.3748, 0.8898]\n", + " PeriodicSite: Li (10.24, 17.64, 7.477) [0.504, 0.8684, 0.3681]\n", + " PeriodicSite: Li (6.325, 20.26, 16.82) [0.3114, 0.9973, 0.8279]\n", + " PeriodicSite: Li (17.87, 5.08, 7.71) [0.8796, 0.2501, 0.3796]\n", + " PeriodicSite: Li (18.2, 12.24, 0.1019) [0.8962, 0.6026, 0.00502]\n", + " PeriodicSite: Li (2.862, 15.3, 0.5787) [0.1409, 0.753, 0.02849]\n", + " PeriodicSite: Li (15.85, 2.731, 14.64) [0.7802, 0.1345, 0.721]\n", + " PeriodicSite: Cl (7.751, 12.32, 12.78) [0.3816, 0.6066, 0.6291]\n", + " PeriodicSite: Cl (2.385, 12.64, 17.36) [0.1174, 0.6222, 0.8547]\n", + " PeriodicSite: Cl (12.88, 17.47, 12.83) [0.6341, 0.8603, 0.6316]\n", + " PeriodicSite: Cl (17.75, 7.932, 17.8) [0.8737, 0.3905, 0.8762]\n", + " PeriodicSite: Cl (7.45, 2.78, 2.894) [0.3668, 0.1369, 0.1425]\n", + " PeriodicSite: Cl (7.997, 7.478, 7.462) [0.3937, 0.3681, 0.3674]\n", + " PeriodicSite: Cl (13.12, 12.35, 7.728) [0.6457, 0.6078, 0.3804]\n", + " PeriodicSite: Cl (2.549, 7.618, 3.18) [0.1255, 0.375, 0.1566]\n", + " PeriodicSite: Cl (2.486, 7.848, 12.74) [0.1224, 0.3864, 0.6271]\n", + " PeriodicSite: Cl (12.42, 12.74, 17.37) [0.6113, 0.6273, 0.8549]\n", + " PeriodicSite: Cl (17.74, 18.05, 17.87) [0.8732, 0.8885, 0.8796]\n", + " PeriodicSite: Cl (2.482, 2.127, 7.542) [0.1222, 0.1047, 0.3713]\n", + " PeriodicSite: Cl (12.26, 2.648, 17.88) [0.6034, 0.1304, 0.8802]\n", + " PeriodicSite: Cl (13.36, 7.312, 2.857) [0.6579, 0.36, 0.1406]\n", + " PeriodicSite: Cl (17.3, 3.27, 12.75) [0.8517, 0.161, 0.6277]\n", + " PeriodicSite: Cl (6.85, 18.01, 17.3) [0.3372, 0.8867, 0.8516]\n", + " PeriodicSite: Cl (0.183, 0.534, 0.2871) [0.009008, 0.02629, 0.01414]\n", + " PeriodicSite: Cl (20.01, 0.2244, 10.09) [0.9851, 0.01104, 0.4968]\n", + " PeriodicSite: Cl (19.89, 10.26, 0.02324) [0.9794, 0.505, 0.001151]\n", + " PeriodicSite: Cl (20.19, 10.19, 9.916) [0.9939, 0.5018, 0.4882]\n", + " PeriodicSite: Cl (10.12, 0.3636, 20.18) [0.4982, 0.0179, 0.9937]\n", + " PeriodicSite: Cl (10.27, 19.75, 10.25) [0.5058, 0.9723, 0.5048]\n", + " PeriodicSite: Cl (10.45, 10.42, 20.29) [0.5143, 0.5129, 0.999]\n", + " PeriodicSite: Cl (10.39, 9.992, 10.38) [0.5114, 0.4919, 0.5108]\n", + " PeriodicSite: Cl (19.85, 5.155, 5.561) [0.9771, 0.2538, 0.2738]\n", + " PeriodicSite: Cl (0.208, 4.789, 15.31) [0.01024, 0.2358, 0.754]\n", + " PeriodicSite: Cl (20.29, 15.25, 4.798) [0.999, 0.7509, 0.2362]\n", + " PeriodicSite: Cl (20.3, 15.0, 15.07) [0.9996, 0.7386, 0.742]\n", + " PeriodicSite: Cl (10.33, 4.924, 5.108) [0.5087, 0.2424, 0.2515]\n", + " PeriodicSite: Cl (10.31, 4.99, 14.6) [0.5078, 0.2456, 0.7188]\n", + " PeriodicSite: Cl (10.27, 15.7, 5.009) [0.5057, 0.7728, 0.2466]\n", + " PeriodicSite: Cl (9.846, 14.99, 15.33) [0.4847, 0.7378, 0.755]\n", + " PeriodicSite: S (4.667, 20.01, 5.036) [0.2298, 0.985, 0.2479]\n", + " PeriodicSite: S (5.294, 0.1306, 14.7) [0.2606, 0.00643, 0.7236]\n", + " PeriodicSite: S (5.221, 10.03, 5.187) [0.257, 0.4939, 0.2554]\n", + " PeriodicSite: S (5.046, 10.38, 15.49) [0.2484, 0.5112, 0.7625]\n", + " PeriodicSite: S (15.0, 0.06413, 4.913) [0.7386, 0.003151, 0.2419]\n", + " PeriodicSite: S (15.03, 0.03518, 15.24) [0.7399, 0.001726, 0.7503]\n", + " PeriodicSite: S (15.1, 10.23, 5.364) [0.7434, 0.5034, 0.2641]\n", + " PeriodicSite: S (15.43, 10.07, 15.23) [0.7596, 0.496, 0.7496]\n", + " PeriodicSite: S (4.875, 5.186, 19.83) [0.24, 0.2553, 0.9762]\n", + " PeriodicSite: S (5.031, 5.086, 10.46) [0.2477, 0.2504, 0.5152]\n", + " PeriodicSite: S (5.424, 15.08, 0.3544) [0.267, 0.7424, 0.01745]\n", + " PeriodicSite: S (5.173, 14.9, 10.02) [0.2547, 0.7337, 0.4931]\n", + " PeriodicSite: S (15.22, 5.078, 0.06945) [0.7494, 0.25, 0.003423]\n", + " PeriodicSite: S (15.13, 5.0, 10.2) [0.7447, 0.2462, 0.5022]\n", + " PeriodicSite: S (15.32, 15.26, 0.2876) [0.7542, 0.7514, 0.01417]\n", + " PeriodicSite: S (15.53, 15.02, 10.39) [0.7648, 0.7396, 0.5114]\n", + " PeriodicSite: S (8.796, 4.093, 8.441) [0.4331, 0.2015, 0.4155]\n", + " PeriodicSite: S (8.647, 4.262, 19.23) [0.4257, 0.2098, 0.9467]\n", + " PeriodicSite: S (9.599, 14.13, 8.707) [0.4725, 0.6958, 0.4287]\n", + " PeriodicSite: S (9.006, 14.23, 18.68) [0.4434, 0.7005, 0.9195]\n", + " PeriodicSite: S (19.32, 3.863, 9.192) [0.951, 0.1902, 0.4525]\n", + " PeriodicSite: S (19.05, 3.976, 19.14) [0.9378, 0.1957, 0.9424]\n", + " PeriodicSite: S (19.55, 13.69, 9.271) [0.9623, 0.674, 0.4564]\n", + " PeriodicSite: S (19.06, 14.46, 19.1) [0.9384, 0.7118, 0.9403]\n", + " PeriodicSite: S (3.598, 0.961, 1.178) [0.1771, 0.04731, 0.05799]\n", + " PeriodicSite: S (4.088, 1.08, 10.85) [0.2013, 0.05316, 0.5343]\n", + " PeriodicSite: S (4.173, 11.4, 1.492) [0.2054, 0.5611, 0.07347]\n", + " PeriodicSite: S (4.149, 11.44, 11.53) [0.2043, 0.5634, 0.5677]\n", + " PeriodicSite: S (13.99, 1.115, 1.237) [0.6885, 0.05489, 0.06088]\n", + " PeriodicSite: S (13.91, 1.428, 10.98) [0.6847, 0.07032, 0.5404]\n", + " PeriodicSite: S (13.91, 11.6, 1.045) [0.6849, 0.5709, 0.05143]\n", + " PeriodicSite: S (13.88, 11.04, 11.21) [0.6835, 0.5435, 0.552]\n", + " PeriodicSite: S (6.434, 1.294, 8.569) [0.3167, 0.06372, 0.4219]\n", + " PeriodicSite: S (5.996, 1.223, 19.15) [0.2952, 0.06022, 0.9426]\n", + " PeriodicSite: S (6.818, 11.27, 9.465) [0.3357, 0.555, 0.466]\n", + " PeriodicSite: S (6.155, 11.47, 19.13) [0.303, 0.5648, 0.9416]\n", + " PeriodicSite: S (16.59, 1.435, 8.918) [0.8169, 0.07062, 0.4391]\n", + " PeriodicSite: S (16.06, 1.335, 19.06) [0.7907, 0.06572, 0.9383]\n", + " PeriodicSite: S (16.46, 10.87, 8.99) [0.8102, 0.5352, 0.4426]\n", + " PeriodicSite: S (16.29, 11.18, 19.2) [0.802, 0.5504, 0.9453]\n", + " PeriodicSite: S (0.9707, 4.231, 1.264) [0.04779, 0.2083, 0.06223]\n", + " PeriodicSite: S (1.625, 3.978, 11.3) [0.08001, 0.1958, 0.5563]\n", + " PeriodicSite: S (0.9774, 13.85, 1.113) [0.04811, 0.682, 0.05477]\n", + " PeriodicSite: S (1.46, 14.21, 11.6) [0.07187, 0.6994, 0.5711]\n", + " PeriodicSite: S (10.84, 4.051, 1.279) [0.5337, 0.1994, 0.06296]\n", + " PeriodicSite: S (10.91, 3.851, 11.09) [0.5373, 0.1896, 0.5458]\n", + " PeriodicSite: S (11.15, 14.25, 0.9403) [0.5489, 0.7016, 0.0463]\n", + " PeriodicSite: S (11.84, 13.88, 11.1) [0.5827, 0.6835, 0.5465]\n", + " PeriodicSite: S (2.611, 2.648, 17.76) [0.1285, 0.1304, 0.8743]\n", + " PeriodicSite: S (2.801, 12.38, 7.743) [0.1379, 0.6096, 0.3812]\n", + " PeriodicSite: S (12.68, 2.615, 7.734) [0.6244, 0.1287, 0.3807]\n", + " PeriodicSite: S (9.125, 9.311, 4.05) [0.4492, 0.4584, 0.1994]\n", + " PeriodicSite: S (9.006, 8.75, 13.93) [0.4434, 0.4308, 0.686]\n", + " PeriodicSite: S (9.231, 18.82, 3.909) [0.4544, 0.9264, 0.1925]\n", + " PeriodicSite: S (9.034, 19.35, 13.68) [0.4447, 0.9525, 0.6735]\n", + " PeriodicSite: S (19.01, 8.828, 3.807) [0.9361, 0.4346, 0.1874]\n", + " PeriodicSite: S (19.1, 9.0, 14.22) [0.9402, 0.4431, 0.7001]\n", + " PeriodicSite: S (18.84, 19.37, 3.789) [0.9276, 0.9535, 0.1866]\n", + " PeriodicSite: S (19.0, 19.14, 14.13) [0.9352, 0.9424, 0.6955]\n", + " PeriodicSite: S (3.976, 6.171, 6.639) [0.1957, 0.3038, 0.3269]\n", + " PeriodicSite: S (3.471, 6.275, 16.33) [0.1709, 0.3089, 0.8038]\n", + " PeriodicSite: S (3.673, 16.35, 6.257) [0.1808, 0.8051, 0.308]\n", + " PeriodicSite: S (3.8, 16.04, 16.35) [0.1871, 0.7898, 0.8051]\n", + " PeriodicSite: S (13.81, 6.074, 6.275) [0.6799, 0.299, 0.3089]\n", + " PeriodicSite: S (13.88, 6.295, 16.57) [0.6833, 0.3099, 0.8158]\n", + " PeriodicSite: S (14.4, 16.78, 6.423) [0.7091, 0.8262, 0.3162]\n", + " PeriodicSite: S (13.83, 16.06, 16.78) [0.6807, 0.7909, 0.8263]\n", + " PeriodicSite: S (6.586, 6.078, 4.226) [0.3242, 0.2992, 0.2081]\n", + " PeriodicSite: S (5.894, 6.433, 14.14) [0.2902, 0.3167, 0.6961]\n", + " PeriodicSite: S (6.33, 16.13, 4.223) [0.3116, 0.7943, 0.2079]\n", + " PeriodicSite: S (6.287, 16.34, 14.19) [0.3095, 0.8044, 0.6988]\n", + " PeriodicSite: S (16.6, 6.157, 4.112) [0.817, 0.3031, 0.2024]\n", + " PeriodicSite: S (16.52, 6.291, 14.39) [0.8131, 0.3097, 0.7087]\n", + " PeriodicSite: S (16.55, 16.36, 4.022) [0.8146, 0.8054, 0.198]\n", + " PeriodicSite: S (16.1, 16.45, 14.2) [0.7925, 0.81, 0.6993]\n", + " PeriodicSite: S (1.212, 8.948, 6.334) [0.05969, 0.4405, 0.3118]\n", + " PeriodicSite: S (1.296, 9.111, 16.39) [0.06381, 0.4486, 0.8069]\n", + " PeriodicSite: S (0.9372, 18.96, 6.187) [0.04613, 0.9332, 0.3046]\n", + " PeriodicSite: S (1.418, 19.15, 16.15) [0.06983, 0.9427, 0.7953]\n", + " PeriodicSite: S (11.34, 9.252, 6.548) [0.5583, 0.4555, 0.3224]\n", + " PeriodicSite: S (11.27, 9.202, 16.56) [0.5546, 0.453, 0.8151]\n", + " PeriodicSite: S (11.68, 19.42, 6.375) [0.5752, 0.9558, 0.3139]\n", + " PeriodicSite: S (11.01, 19.05, 16.04) [0.542, 0.9381, 0.7896]\n", + " PeriodicSite: S (2.442, 17.67, 2.571) [0.1202, 0.8701, 0.1266]\n", + " PeriodicSite: S (2.374, 17.77, 12.7) [0.1169, 0.875, 0.6254]\n", + " PeriodicSite: S (12.67, 7.602, 12.89) [0.624, 0.3742, 0.6348]\n", + " PeriodicSite: S (12.93, 17.57, 2.606) [0.6366, 0.865, 0.1283]\n", + " PeriodicSite: S (3.787, 4.02, 3.87) [0.1864, 0.1979, 0.1905]\n", + " PeriodicSite: S (3.946, 3.593, 14.16) [0.1943, 0.1769, 0.697]\n", + " PeriodicSite: S (3.708, 13.89, 3.987) [0.1825, 0.684, 0.1963]\n", + " PeriodicSite: S (4.014, 13.87, 13.74) [0.1976, 0.6827, 0.6762]\n", + " PeriodicSite: S (13.84, 3.638, 4.192) [0.6811, 0.1791, 0.2064]\n", + " PeriodicSite: S (14.07, 3.957, 14.02) [0.6927, 0.1948, 0.69]\n", + " PeriodicSite: S (13.95, 14.1, 4.509) [0.6869, 0.694, 0.222]\n", + " PeriodicSite: S (13.74, 13.86, 14.41) [0.6764, 0.6821, 0.7094]\n", + " PeriodicSite: S (8.984, 1.083, 6.089) [0.4423, 0.0533, 0.2998]\n", + " PeriodicSite: S (8.774, 1.101, 16.37) [0.432, 0.05421, 0.8059]\n", + " PeriodicSite: S (8.576, 11.56, 6.36) [0.4222, 0.5689, 0.3131]\n", + " PeriodicSite: S (8.569, 11.24, 16.18) [0.4219, 0.5531, 0.7966]\n", + " PeriodicSite: S (19.01, 1.35, 6.16) [0.9358, 0.06644, 0.3033]\n", + " PeriodicSite: S (19.16, 1.076, 16.38) [0.9434, 0.05298, 0.8063]\n", + " PeriodicSite: S (19.03, 11.4, 6.143) [0.9367, 0.5611, 0.3025]\n", + " PeriodicSite: S (19.27, 11.57, 16.3) [0.9486, 0.5697, 0.8027]\n", + " PeriodicSite: S (1.103, 1.031, 3.924) [0.05429, 0.05073, 0.1932]\n", + " PeriodicSite: S (0.8002, 1.053, 13.56) [0.0394, 0.05182, 0.6676]\n", + " PeriodicSite: S (1.067, 11.2, 3.714) [0.05253, 0.5512, 0.1829]\n", + " PeriodicSite: S (1.069, 11.4, 13.9) [0.05264, 0.5613, 0.6843]\n", + " PeriodicSite: S (11.42, 1.12, 3.777) [0.5623, 0.05512, 0.1859]\n", + " PeriodicSite: S (11.23, 1.437, 13.97) [0.5531, 0.07075, 0.688]\n", + " PeriodicSite: S (11.1, 11.98, 4.408) [0.5467, 0.59, 0.217]\n", + " PeriodicSite: S (10.97, 11.39, 13.88) [0.54, 0.5608, 0.6832]\n", + " PeriodicSite: S (6.141, 3.679, 6.293) [0.3023, 0.1811, 0.3098]\n", + " PeriodicSite: S (6.233, 3.983, 16.38) [0.3069, 0.1961, 0.8064]\n", + " PeriodicSite: S (5.984, 13.73, 6.382) [0.2946, 0.6758, 0.3142]\n", + " PeriodicSite: S (6.215, 13.88, 16.48) [0.3059, 0.6833, 0.8115]\n", + " PeriodicSite: S (16.37, 3.735, 6.424) [0.806, 0.1839, 0.3163]\n", + " PeriodicSite: S (16.01, 3.79, 16.63) [0.7882, 0.1866, 0.8186]\n", + " PeriodicSite: S (16.59, 14.08, 6.493) [0.8169, 0.6931, 0.3197]\n", + " PeriodicSite: S (16.57, 14.03, 16.34) [0.8156, 0.6907, 0.8042]\n", + " PeriodicSite: S (7.386, 2.81, 12.21) [0.3636, 0.1384, 0.6013]\n", + " PeriodicSite: S (7.96, 12.39, 2.209) [0.3919, 0.6102, 0.1088]\n", + " PeriodicSite: S (17.34, 2.598, 2.562) [0.8536, 0.1279, 0.1261]\n", + " PeriodicSite: S (17.44, 12.88, 2.346) [0.8587, 0.6342, 0.1155]\n", + " PeriodicSite: S (17.88, 12.6, 12.64) [0.8802, 0.6202, 0.6221]\n", + " PeriodicSite: S (4.483, 9.085, 9.095) [0.2207, 0.4472, 0.4478]\n", + " PeriodicSite: S (3.811, 9.071, 19.33) [0.1876, 0.4466, 0.9517]\n", + " PeriodicSite: S (4.178, 18.97, 8.581) [0.2057, 0.9342, 0.4225]\n", + " PeriodicSite: S (3.513, 19.48, 18.65) [0.173, 0.959, 0.9183]\n", + " PeriodicSite: S (14.06, 8.804, 8.889) [0.692, 0.4334, 0.4376]\n", + " PeriodicSite: S (13.66, 8.85, 19.43) [0.6727, 0.4357, 0.9565]\n", + " PeriodicSite: S (14.21, 19.25, 8.978) [0.6996, 0.9476, 0.442]\n", + " PeriodicSite: S (13.64, 19.43, 18.99) [0.6716, 0.9564, 0.9348]\n", + " PeriodicSite: S (8.63, 6.701, 1.143) [0.4249, 0.3299, 0.05626]\n", + " PeriodicSite: S (8.626, 6.394, 10.94) [0.4247, 0.3148, 0.5387]\n", + " PeriodicSite: S (9.036, 16.67, 0.5731) [0.4449, 0.8207, 0.02822]\n", + " PeriodicSite: S (9.681, 16.08, 11.43) [0.4766, 0.7915, 0.5628]\n", + " PeriodicSite: S (18.94, 6.591, 1.221) [0.9324, 0.3245, 0.06012]\n", + " PeriodicSite: S (19.48, 6.572, 11.16) [0.959, 0.3235, 0.5493]\n", + " PeriodicSite: S (19.38, 16.82, 1.093) [0.9542, 0.8281, 0.05381]\n", + " PeriodicSite: S (19.2, 16.48, 11.01) [0.9451, 0.8113, 0.5421]\n", + " PeriodicSite: S (1.382, 6.153, 8.639) [0.06805, 0.3029, 0.4253]\n", + " PeriodicSite: S (1.096, 6.35, 19.24) [0.05395, 0.3126, 0.9472]\n", + " PeriodicSite: S (1.48, 16.33, 8.832) [0.07288, 0.8037, 0.4348]\n", + " PeriodicSite: S (1.639, 16.28, 19.31) [0.08068, 0.8016, 0.9505]\n", + " PeriodicSite: S (11.43, 6.398, 9.093) [0.5628, 0.315, 0.4477]\n", + " PeriodicSite: S (11.35, 6.575, 19.4) [0.559, 0.3237, 0.9551]\n", + " PeriodicSite: S (11.89, 16.28, 8.857) [0.5852, 0.8017, 0.4361]\n", + " PeriodicSite: S (11.41, 16.54, 18.83) [0.5619, 0.8142, 0.9272]\n", + " PeriodicSite: S (6.458, 8.985, 1.158) [0.318, 0.4423, 0.05702]\n", + " PeriodicSite: S (6.077, 9.026, 11.93) [0.2992, 0.4443, 0.5873]\n", + " PeriodicSite: S (5.974, 18.96, 0.7702) [0.2941, 0.9335, 0.03792]\n", + " PeriodicSite: S (6.577, 19.09, 10.93) [0.3238, 0.94, 0.5382]\n", + " PeriodicSite: S (16.08, 8.966, 1.479) [0.7919, 0.4414, 0.07282]\n", + " PeriodicSite: S (16.17, 8.684, 11.51) [0.796, 0.4275, 0.5666]\n", + " PeriodicSite: S (16.34, 19.11, 1.001) [0.8043, 0.9407, 0.04929]\n", + " PeriodicSite: S (16.52, 19.6, 11.32) [0.8131, 0.9647, 0.5575]\n", + " PeriodicSite: S (7.411, 7.568, 17.44) [0.3649, 0.3726, 0.8584]\n", + " PeriodicSite: S (7.744, 17.47, 7.809) [0.3813, 0.8603, 0.3845]\n", + " PeriodicSite: S (17.79, 7.561, 7.576) [0.8759, 0.3722, 0.373]\n", + " PeriodicSite: S (17.85, 18.01, 7.58) [0.8785, 0.8866, 0.3732]\n", + " PeriodicSite: P (4.623, 20.26, 20.16) [0.2276, 0.9972, 0.9926]\n", + " PeriodicSite: P (5.272, 20.27, 9.708) [0.2595, 0.9981, 0.4779]\n", + " PeriodicSite: P (5.072, 10.22, 0.1179) [0.2497, 0.5033, 0.005805]\n", + " PeriodicSite: P (5.347, 10.22, 10.51) [0.2632, 0.5031, 0.5175]\n", + " PeriodicSite: P (15.04, 20.26, 20.27) [0.7404, 0.9973, 0.998]\n", + " PeriodicSite: P (15.3, 0.2803, 10.03) [0.7533, 0.01379, 0.4936]\n", + " PeriodicSite: P (15.06, 10.13, 0.09451) [0.7413, 0.4987, 0.004658]\n", + " PeriodicSite: P (15.1, 9.873, 10.12) [0.7436, 0.486, 0.4984]\n", + " PeriodicSite: P (4.958, 5.009, 5.225) [0.2441, 0.2466, 0.2572]\n", + " PeriodicSite: P (4.823, 5.034, 15.29) [0.2375, 0.2478, 0.7527]\n", + " PeriodicSite: P (4.931, 15.12, 5.241) [0.2428, 0.7442, 0.258]\n", + " PeriodicSite: P (5.091, 14.93, 15.16) [0.2506, 0.7351, 0.7466]\n", + " PeriodicSite: P (15.13, 4.897, 5.252) [0.7449, 0.2411, 0.2585]\n", + " PeriodicSite: P (15.13, 5.137, 15.45) [0.7448, 0.2529, 0.7605]\n", + " PeriodicSite: P (15.35, 15.37, 5.351) [0.7559, 0.7568, 0.2635]\n", + " PeriodicSite: P (15.02, 15.07, 15.41) [0.7396, 0.742, 0.7585]\n", + " PeriodicSite: P (20.14, 20.27, 5.086) [0.9914, 0.9979, 0.2504]\n", + " PeriodicSite: P (0.03926, 20.16, 15.1) [0.001928, 0.9923, 0.7433]\n", + " PeriodicSite: P (20.22, 10.04, 5.077) [0.9955, 0.4942, 0.2499]\n", + " PeriodicSite: P (0.03174, 10.25, 15.17) [0.001562, 0.5044, 0.747]\n", + " PeriodicSite: P (10.16, 20.15, 5.074) [0.5001, 0.9922, 0.2498]\n", + " PeriodicSite: P (9.989, 0.2182, 15.05) [0.4918, 0.01074, 0.7408]\n", + " PeriodicSite: P (10.06, 10.5, 5.436) [0.4954, 0.5171, 0.2676]\n", + " PeriodicSite: P (9.871, 10.13, 15.18) [0.4859, 0.4986, 0.7473]\n", + " PeriodicSite: P (20.06, 5.36, 0.0772) [0.9878, 0.2639, 0.003806]\n", + " PeriodicSite: P (0.3283, 5.151, 10.04) [0.01616, 0.2536, 0.4944]\n", + " PeriodicSite: P (0.0655, 15.48, 0.03807) [0.003217, 0.7621, 0.001875]\n", + " PeriodicSite: P (0.2405, 15.2, 10.22) [0.01183, 0.7484, 0.5033]\n", + " PeriodicSite: P (9.773, 5.433, 0.1152) [0.4811, 0.2675, 0.005673]\n", + " PeriodicSite: P (9.975, 5.181, 9.9) [0.4911, 0.2551, 0.4874]\n", + " PeriodicSite: P (10.2, 15.4, 19.93) [0.5022, 0.7583, 0.9812]\n", + " PeriodicSite: P (10.75, 15.16, 10.06) [0.529, 0.7464, 0.4954],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.017, 5.751, 4.805) [0.09928, 0.2831, 0.2365]\n", + " PeriodicSite: Li (1.363, 3.402, 14.07) [0.06709, 0.1675, 0.6929]\n", + " PeriodicSite: Li (0.6326, 11.34, 7.502) [0.03114, 0.5582, 0.3693]\n", + " PeriodicSite: Li (1.162, 15.04, 17.22) [0.05718, 0.7405, 0.8478]\n", + " PeriodicSite: Li (14.6, 1.079, 7.194) [0.7188, 0.05312, 0.3542]\n", + " PeriodicSite: Li (12.0, 3.54, 15.59) [0.5908, 0.1743, 0.7674]\n", + " PeriodicSite: Li (13.71, 11.08, 3.692) [0.6751, 0.5456, 0.1817]\n", + " PeriodicSite: Li (17.25, 8.283, 15.59) [0.8492, 0.4078, 0.7673]\n", + " PeriodicSite: Li (3.71, 4.603, 8.899) [0.1826, 0.2266, 0.4381]\n", + " PeriodicSite: Li (1.501, 2.134, 20.14) [0.07391, 0.1051, 0.9917]\n", + " PeriodicSite: Li (4.189, 7.869, 4.904) [0.2062, 0.3874, 0.2414]\n", + " PeriodicSite: Li (7.007, 9.978, 17.06) [0.345, 0.4912, 0.8398]\n", + " PeriodicSite: Li (12.19, 4.66, 6.922) [0.5999, 0.2294, 0.3408]\n", + " PeriodicSite: Li (12.18, 2.316, 20.2) [0.5999, 0.114, 0.9946]\n", + " PeriodicSite: Li (12.0, 9.243, 11.62) [0.5906, 0.455, 0.5721]\n", + " PeriodicSite: Li (10.74, 18.66, 18.77) [0.5287, 0.9184, 0.9242]\n", + " PeriodicSite: Li (5.138, 1.515, 6.784) [0.253, 0.07458, 0.334]\n", + " PeriodicSite: Li (3.285, 19.97, 13.52) [0.1617, 0.9831, 0.6654]\n", + " PeriodicSite: Li (3.499, 10.05, 7.094) [0.1723, 0.4946, 0.3492]\n", + " PeriodicSite: Li (6.835, 9.133, 13.62) [0.3365, 0.4497, 0.6704]\n", + " PeriodicSite: Li (11.98, 0.8306, 8.924) [0.5896, 0.04089, 0.4393]\n", + " PeriodicSite: Li (10.24, 1.565, 18.03) [0.5041, 0.07705, 0.8874]\n", + " PeriodicSite: Li (14.04, 15.93, 8.964) [0.6912, 0.7842, 0.4413]\n", + " PeriodicSite: Li (12.36, 10.83, 19.4) [0.6086, 0.5334, 0.9552]\n", + " PeriodicSite: Li (0.2564, 3.367, 6.831) [0.01262, 0.1658, 0.3363]\n", + " PeriodicSite: Li (0.354, 3.929, 17.43) [0.01743, 0.1934, 0.8581]\n", + " PeriodicSite: Li (1.252, 14.4, 6.697) [0.06166, 0.709, 0.3297]\n", + " PeriodicSite: Li (4.481, 14.48, 18.32) [0.2206, 0.7131, 0.9021]\n", + " PeriodicSite: Li (12.89, 1.736, 5.491) [0.6348, 0.08544, 0.2703]\n", + " PeriodicSite: Li (14.85, 1.684, 17.04) [0.7313, 0.08288, 0.8389]\n", + " PeriodicSite: Li (11.79, 11.57, 9.729) [0.5803, 0.5698, 0.479]\n", + " PeriodicSite: Li (16.9, 17.27, 20.04) [0.8322, 0.8504, 0.9868]\n", + " PeriodicSite: Li (6.736, 0.2978, 4.262) [0.3316, 0.01466, 0.2098]\n", + " PeriodicSite: Li (0.2841, 17.32, 3.186) [0.01398, 0.8525, 0.1568]\n", + " PeriodicSite: Li (2.823, 14.45, 9.553) [0.139, 0.7116, 0.4703]\n", + " PeriodicSite: Li (2.053, 17.37, 14.79) [0.1011, 0.8552, 0.7281]\n", + " PeriodicSite: Li (14.93, 3.427, 8.507) [0.7352, 0.1687, 0.4188]\n", + " PeriodicSite: Li (13.36, 4.801, 18.8) [0.6577, 0.2363, 0.9254]\n", + " PeriodicSite: Li (17.21, 15.39, 8.766) [0.8473, 0.7574, 0.4316]\n", + " PeriodicSite: Li (10.59, 11.66, 17.46) [0.5212, 0.5742, 0.8596]\n", + " PeriodicSite: Li (2.935, 2.097, 4.593) [0.1445, 0.1033, 0.2261]\n", + " PeriodicSite: Li (2.095, 0.5055, 17.82) [0.1032, 0.02489, 0.8772]\n", + " PeriodicSite: Li (4.217, 12.1, 5.745) [0.2076, 0.5955, 0.2828]\n", + " PeriodicSite: Li (18.25, 13.5, 4.563) [0.8985, 0.6647, 0.2247]\n", + " PeriodicSite: Li (10.04, 2.99, 7.356) [0.4943, 0.1472, 0.3621]\n", + " PeriodicSite: Li (17.29, 19.92, 16.22) [0.8513, 0.9807, 0.7987]\n", + " PeriodicSite: Li (13.38, 9.469, 6.729) [0.6587, 0.4661, 0.3313]\n", + " PeriodicSite: Li (15.06, 8.383, 17.19) [0.7417, 0.4127, 0.8462]\n", + " PeriodicSite: Li (3.196, 11.81, 15.45) [0.1574, 0.5814, 0.7605]\n", + " PeriodicSite: Li (2.387, 10.83, 9.576) [0.1175, 0.5333, 0.4714]\n", + " PeriodicSite: Li (1.839, 15.09, 3.2) [0.09055, 0.7427, 0.1575]\n", + " PeriodicSite: Li (0.8661, 2.308, 9.607) [0.04264, 0.1136, 0.473]\n", + " PeriodicSite: Li (11.49, 5.337, 3.465) [0.5657, 0.2627, 0.1706]\n", + " PeriodicSite: Li (12.09, 6.955, 15.33) [0.595, 0.3424, 0.7548]\n", + " PeriodicSite: Li (11.72, 14.19, 6.674) [0.5772, 0.6988, 0.3286]\n", + " PeriodicSite: Li (13.13, 20.2, 14.38) [0.6462, 0.9945, 0.7079]\n", + " PeriodicSite: Li (2.788, 7.322, 0.2059) [0.1373, 0.3604, 0.01014]\n", + " PeriodicSite: Li (3.271, 5.579, 12.1) [0.161, 0.2746, 0.5958]\n", + " PeriodicSite: Li (6.635, 17.23, 19.67) [0.3267, 0.848, 0.9683]\n", + " PeriodicSite: Li (4.11, 18.76, 16.8) [0.2023, 0.9236, 0.8273]\n", + " PeriodicSite: Li (13.83, 4.972, 1.951) [0.6807, 0.2448, 0.09604]\n", + " PeriodicSite: Li (10.62, 6.41, 12.97) [0.5229, 0.3155, 0.6387]\n", + " PeriodicSite: Li (12.67, 16.86, 4.878) [0.6237, 0.8298, 0.2401]\n", + " PeriodicSite: Li (10.73, 17.16, 12.98) [0.5283, 0.8449, 0.6391]\n", + " PeriodicSite: Li (4.281, 10.59, 17.71) [0.2107, 0.5213, 0.8719]\n", + " PeriodicSite: Li (4.341, 7.514, 11.02) [0.2137, 0.3699, 0.5425]\n", + " PeriodicSite: Li (4.951, 17.03, 1.776) [0.2437, 0.8385, 0.08743]\n", + " PeriodicSite: Li (2.423, 17.77, 10.06) [0.1193, 0.8749, 0.4954]\n", + " PeriodicSite: Li (10.86, 7.855, 0.9713) [0.5349, 0.3867, 0.04782]\n", + " PeriodicSite: Li (14.96, 5.88, 12.5) [0.7364, 0.2895, 0.6153]\n", + " PeriodicSite: Li (11.01, 16.41, 2.436) [0.542, 0.8077, 0.1199]\n", + " PeriodicSite: Li (13.44, 15.26, 11.69) [0.6617, 0.7513, 0.5757]\n", + " PeriodicSite: Li (0.5275, 8.472, 2.69) [0.02597, 0.4171, 0.1324]\n", + " PeriodicSite: Li (17.5, 4.68, 10.66) [0.8617, 0.2304, 0.5248]\n", + " PeriodicSite: Li (2.809, 17.69, 4.481) [0.1383, 0.8708, 0.2206]\n", + " PeriodicSite: Li (0.7222, 19.18, 12.41) [0.03555, 0.9444, 0.6109]\n", + " PeriodicSite: Li (9.592, 7.75, 5.626) [0.4722, 0.3815, 0.277]\n", + " PeriodicSite: Li (13.35, 11.21, 15.71) [0.6575, 0.5519, 0.7733]\n", + " PeriodicSite: Li (14.25, 15.81, 2.341) [0.7014, 0.7784, 0.1153]\n", + " PeriodicSite: Li (12.2, 14.95, 16.39) [0.6007, 0.7359, 0.8069]\n", + " PeriodicSite: Li (6.68, 8.275, 4.984) [0.3288, 0.4074, 0.2454]\n", + " PeriodicSite: Li (19.85, 12.05, 11.86) [0.9774, 0.5932, 0.5841]\n", + " PeriodicSite: Li (18.88, 17.41, 5.816) [0.9295, 0.8572, 0.2863]\n", + " PeriodicSite: Li (6.891, 18.55, 14.93) [0.3393, 0.9132, 0.735]\n", + " PeriodicSite: Li (16.84, 10.61, 3.54) [0.829, 0.5223, 0.1743]\n", + " PeriodicSite: Li (13.3, 6.709, 10.52) [0.6546, 0.3303, 0.5177]\n", + " PeriodicSite: Li (13.44, 17.43, 0.2823) [0.6615, 0.8579, 0.0139]\n", + " PeriodicSite: Li (11.87, 18.29, 10.21) [0.5843, 0.9003, 0.5027]\n", + " PeriodicSite: Li (4.229, 3.007, 19.71) [0.2082, 0.1481, 0.9703]\n", + " PeriodicSite: Li (3.65, 10.05, 13.24) [0.1797, 0.4946, 0.652]\n", + " PeriodicSite: Li (3.719, 20.12, 2.812) [0.1831, 0.9903, 0.1384]\n", + " PeriodicSite: Li (0.9633, 16.15, 12.59) [0.04742, 0.7952, 0.6198]\n", + " PeriodicSite: Li (15.02, 7.991, 4.37) [0.7392, 0.3934, 0.2152]\n", + " PeriodicSite: Li (14.57, 8.994, 13.24) [0.7172, 0.4428, 0.6517]\n", + " PeriodicSite: Li (12.93, 19.41, 4.926) [0.6367, 0.9556, 0.2425]\n", + " PeriodicSite: Li (18.48, 4.141, 14.22) [0.9096, 0.2038, 0.7]\n", + " PeriodicSite: Li (9.712, 2.558, 2.554) [0.4781, 0.1259, 0.1257]\n", + " PeriodicSite: Li (8.576, 0.6226, 11.57) [0.4222, 0.03065, 0.5694]\n", + " PeriodicSite: Li (6.892, 11.09, 3.237) [0.3393, 0.5461, 0.1594]\n", + " PeriodicSite: Li (6.371, 12.28, 14.66) [0.3137, 0.6043, 0.7216]\n", + " PeriodicSite: Li (17.6, 4.024, 4.3) [0.8665, 0.1981, 0.2117]\n", + " PeriodicSite: Li (12.73, 4.042, 9.827) [0.6265, 0.199, 0.4838]\n", + " PeriodicSite: Li (20.0, 12.15, 2.241) [0.9847, 0.5979, 0.1103]\n", + " PeriodicSite: Li (17.42, 10.72, 13.01) [0.8577, 0.5279, 0.6405]\n", + " PeriodicSite: Li (5.346, 18.15, 6.205) [0.2632, 0.8936, 0.3055]\n", + " PeriodicSite: Li (9.448, 2.951, 13.21) [0.4651, 0.1453, 0.6505]\n", + " PeriodicSite: Li (6.757, 13.83, 19.53) [0.3326, 0.6807, 0.9613]\n", + " PeriodicSite: Li (10.24, 13.09, 13.23) [0.5043, 0.6443, 0.6515]\n", + " PeriodicSite: Li (14.97, 18.36, 3.341) [0.737, 0.904, 0.1645]\n", + " PeriodicSite: Li (18.72, 0.5477, 12.29) [0.9214, 0.02696, 0.6051]\n", + " PeriodicSite: Li (17.27, 14.98, 2.157) [0.8503, 0.7375, 0.1062]\n", + " PeriodicSite: Li (17.01, 15.09, 12.49) [0.8372, 0.7428, 0.6151]\n", + " PeriodicSite: Li (8.096, 4.938, 4.564) [0.3986, 0.2431, 0.2247]\n", + " PeriodicSite: Li (6.093, 0.3672, 13.08) [0.3, 0.01808, 0.6438]\n", + " PeriodicSite: Li (9.817, 12.76, 2.015) [0.4833, 0.628, 0.09921]\n", + " PeriodicSite: Li (6.054, 13.46, 11.5) [0.2981, 0.6625, 0.5664]\n", + " PeriodicSite: Li (19.92, 2.431, 1.679) [0.9806, 0.1197, 0.08266]\n", + " PeriodicSite: Li (0.7706, 8.934, 11.94) [0.03794, 0.4399, 0.588]\n", + " PeriodicSite: Li (15.2, 13.25, 1.399) [0.7485, 0.6521, 0.06887]\n", + " PeriodicSite: Li (15.91, 12.32, 14.18) [0.7831, 0.6067, 0.698]\n", + " PeriodicSite: Li (2.831, 20.04, 6.613) [0.1393, 0.9867, 0.3255]\n", + " PeriodicSite: Li (6.831, 1.897, 14.95) [0.3363, 0.09337, 0.7362]\n", + " PeriodicSite: Li (5.35, 13.42, 1.567) [0.2634, 0.6606, 0.07714]\n", + " PeriodicSite: Li (8.04, 6.731, 15.65) [0.3958, 0.3314, 0.7705]\n", + " PeriodicSite: Li (17.14, 4.608, 1.55) [0.8439, 0.2269, 0.07633]\n", + " PeriodicSite: Li (15.16, 18.19, 13.4) [0.7463, 0.8954, 0.6596]\n", + " PeriodicSite: Li (13.16, 14.57, 19.57) [0.6479, 0.7173, 0.9636]\n", + " PeriodicSite: Li (17.03, 13.27, 10.55) [0.8383, 0.6534, 0.5193]\n", + " PeriodicSite: Li (7.393, 4.682, 0.7273) [0.364, 0.2305, 0.03581]\n", + " PeriodicSite: Li (5.022, 3.032, 11.9) [0.2472, 0.1493, 0.5858]\n", + " PeriodicSite: Li (8.07, 10.56, 0.5413) [0.3973, 0.5197, 0.02665]\n", + " PeriodicSite: Li (8.129, 10.69, 11.27) [0.4002, 0.5262, 0.5547]\n", + " PeriodicSite: Li (15.3, 1.182, 3.044) [0.7533, 0.05818, 0.1499]\n", + " PeriodicSite: Li (15.12, 3.141, 11.6) [0.7446, 0.1546, 0.5711]\n", + " PeriodicSite: Li (0.4578, 11.83, 18.62) [0.02254, 0.5825, 0.9166]\n", + " PeriodicSite: Li (19.56, 13.18, 14.5) [0.9629, 0.6489, 0.7139]\n", + " PeriodicSite: Li (7.982, 0.7936, 0.3267) [0.393, 0.03907, 0.01609]\n", + " PeriodicSite: Li (7.24, 3.398, 10.12) [0.3564, 0.1673, 0.4985]\n", + " PeriodicSite: Li (7.897, 13.35, 4.846) [0.3888, 0.6574, 0.2386]\n", + " PeriodicSite: Li (3.968, 16.08, 12.1) [0.1953, 0.7919, 0.5955]\n", + " PeriodicSite: Li (15.95, 2.546, 0.5354) [0.7853, 0.1253, 0.02636]\n", + " PeriodicSite: Li (1.824, 6.956, 15.05) [0.08979, 0.3424, 0.741]\n", + " PeriodicSite: Li (5.259, 13.48, 8.492) [0.2589, 0.6637, 0.4181]\n", + " PeriodicSite: Li (14.36, 12.99, 9.872) [0.7071, 0.6395, 0.486]\n", + " PeriodicSite: Li (15.06, 12.02, 6.682) [0.7413, 0.5918, 0.329]\n", + " PeriodicSite: Li (5.111, 7.913, 15.96) [0.2516, 0.3895, 0.7859]\n", + " PeriodicSite: Li (7.717, 15.36, 8.701) [0.3799, 0.756, 0.4284]\n", + " PeriodicSite: Li (2.193, 18.87, 0.5879) [0.108, 0.9291, 0.02895]\n", + " PeriodicSite: Li (16.92, 9.595, 6.699) [0.8329, 0.4724, 0.3298]\n", + " PeriodicSite: Li (3.264, 5.055, 18.69) [0.1607, 0.2489, 0.9202]\n", + " PeriodicSite: Li (17.27, 1.146, 4.714) [0.8501, 0.05643, 0.2321]\n", + " PeriodicSite: Li (19.02, 19.96, 18.32) [0.9364, 0.9826, 0.9022]\n", + " PeriodicSite: Li (7.215, 10.37, 7.547) [0.3552, 0.5105, 0.3715]\n", + " PeriodicSite: Li (6.162, 5.499, 18.36) [0.3034, 0.2707, 0.9041]\n", + " PeriodicSite: Li (7.658, 20.08, 7.772) [0.377, 0.9885, 0.3826]\n", + " PeriodicSite: Li (7.89, 15.78, 15.71) [0.3884, 0.777, 0.7734]\n", + " PeriodicSite: Li (18.37, 8.2, 9.978) [0.9043, 0.4037, 0.4913]\n", + " PeriodicSite: Li (17.85, 9.548, 19.92) [0.8788, 0.47, 0.9805]\n", + " PeriodicSite: Li (18.73, 19.81, 8.143) [0.9221, 0.9751, 0.4009]\n", + " PeriodicSite: Li (18.38, 16.33, 15.84) [0.9046, 0.8038, 0.7797]\n", + " PeriodicSite: Li (6.977, 6.565, 9.532) [0.3435, 0.3232, 0.4693]\n", + " PeriodicSite: Li (3.888, 2.402, 15.93) [0.1914, 0.1182, 0.7841]\n", + " PeriodicSite: Li (8.288, 18.05, 9.673) [0.408, 0.8885, 0.4762]\n", + " PeriodicSite: Li (16.91, 11.3, 16.69) [0.8326, 0.5565, 0.8217]\n", + " PeriodicSite: Li (19.97, 8.085, 7.933) [0.9833, 0.398, 0.3906]\n", + " PeriodicSite: Li (16.98, 5.367, 18.84) [0.8359, 0.2642, 0.9274]\n", + " PeriodicSite: Li (16.42, 17.73, 9.314) [0.8085, 0.873, 0.4585]\n", + " PeriodicSite: Li (16.29, 14.46, 18.46) [0.8019, 0.7121, 0.9086]\n", + " PeriodicSite: Li (10.18, 8.361, 8.648) [0.5009, 0.4116, 0.4258]\n", + " PeriodicSite: Li (4.819, 3.746, 2.085) [0.2372, 0.1844, 0.1027]\n", + " PeriodicSite: Li (5.615, 17.14, 8.96) [0.2764, 0.844, 0.4411]\n", + " PeriodicSite: Li (7.574, 15.37, 1.976) [0.3729, 0.7565, 0.09727]\n", + " PeriodicSite: Li (15.79, 6.854, 8.516) [0.7775, 0.3374, 0.4193]\n", + " PeriodicSite: Li (20.22, 8.427, 18.14) [0.9955, 0.4148, 0.8932]\n", + " PeriodicSite: Li (15.82, 18.66, 6.577) [0.7787, 0.9188, 0.3238]\n", + " PeriodicSite: Li (15.08, 18.37, 16.77) [0.7424, 0.9043, 0.8258]\n", + " PeriodicSite: Li (7.368, 4.869, 12.22) [0.3628, 0.2397, 0.6015]\n", + " PeriodicSite: Li (5.99, 7.535, 19.86) [0.2949, 0.371, 0.9778]\n", + " PeriodicSite: Li (7.819, 17.11, 5.258) [0.3849, 0.8425, 0.2589]\n", + " PeriodicSite: Li (11.22, 19.65, 2.038) [0.5522, 0.9673, 0.1003]\n", + " PeriodicSite: Li (17.99, 7.124, 5.521) [0.8856, 0.3507, 0.2718]\n", + " PeriodicSite: Li (14.71, 7.375, 0.6383) [0.7243, 0.3631, 0.03143]\n", + " PeriodicSite: Li (19.26, 17.66, 9.442) [0.9483, 0.8694, 0.4649]\n", + " PeriodicSite: Li (17.68, 0.08921, 1.624) [0.8705, 0.004384, 0.07996]\n", + " PeriodicSite: Li (4.148, 10.05, 3.137) [0.2042, 0.4946, 0.1544]\n", + " PeriodicSite: Li (9.489, 8.48, 18.15) [0.4671, 0.4175, 0.8936]\n", + " PeriodicSite: Li (10.29, 16.85, 7.203) [0.5066, 0.8297, 0.3546]\n", + " PeriodicSite: Li (6.829, 0.04785, 17.06) [0.3362, 0.002354, 0.84]\n", + " PeriodicSite: Li (18.61, 5.419, 7.551) [0.9163, 0.2668, 0.3717]\n", + " PeriodicSite: Li (18.03, 12.22, 0.1019) [0.8874, 0.6015, 0.005023]\n", + " PeriodicSite: Li (2.971, 15.87, 0.1292) [0.1463, 0.7814, 0.006361]\n", + " PeriodicSite: Li (15.29, 1.972, 14.29) [0.7525, 0.09709, 0.7035]\n", + " PeriodicSite: Cl (7.824, 12.42, 12.73) [0.3852, 0.6115, 0.6267]\n", + " PeriodicSite: Cl (2.687, 12.62, 17.99) [0.1323, 0.6211, 0.8855]\n", + " PeriodicSite: Cl (12.95, 17.98, 12.48) [0.6374, 0.8851, 0.6144]\n", + " PeriodicSite: Cl (17.51, 7.966, 18.0) [0.8619, 0.3922, 0.8862]\n", + " PeriodicSite: Cl (7.393, 2.789, 2.526) [0.364, 0.1373, 0.1244]\n", + " PeriodicSite: Cl (7.798, 8.005, 7.362) [0.3839, 0.3941, 0.3624]\n", + " PeriodicSite: Cl (12.92, 12.57, 7.914) [0.6361, 0.6186, 0.3896]\n", + " PeriodicSite: Cl (2.723, 7.725, 2.651) [0.134, 0.3803, 0.1305]\n", + " PeriodicSite: Cl (2.759, 7.705, 12.69) [0.1358, 0.3793, 0.6247]\n", + " PeriodicSite: Cl (12.89, 12.69, 17.96) [0.6346, 0.6246, 0.8842]\n", + " PeriodicSite: Cl (17.76, 18.07, 17.54) [0.8741, 0.8894, 0.8633]\n", + " PeriodicSite: Cl (2.585, 2.281, 7.38) [0.1273, 0.1123, 0.3633]\n", + " PeriodicSite: Cl (12.43, 2.856, 18.02) [0.6122, 0.1406, 0.8873]\n", + " PeriodicSite: Cl (12.62, 7.187, 2.257) [0.6215, 0.3538, 0.1111]\n", + " PeriodicSite: Cl (17.41, 2.594, 12.8) [0.8571, 0.1277, 0.6302]\n", + " PeriodicSite: Cl (7.221, 17.92, 17.2) [0.3555, 0.8823, 0.8466]\n", + " PeriodicSite: Cl (19.8, 0.3992, 0.05069) [0.9749, 0.01965, 0.002501]\n", + " PeriodicSite: Cl (0.04651, 20.1, 9.856) [0.002283, 0.9898, 0.4852]\n", + " PeriodicSite: Cl (19.95, 10.29, 20.28) [0.9821, 0.5068, 0.9985]\n", + " PeriodicSite: Cl (0.1865, 9.666, 9.845) [0.009182, 0.4759, 0.4847]\n", + " PeriodicSite: Cl (10.15, 0.4337, 20.29) [0.4999, 0.02135, 0.9989]\n", + " PeriodicSite: Cl (10.16, 19.78, 9.767) [0.5004, 0.9737, 0.4808]\n", + " PeriodicSite: Cl (10.26, 10.36, 0.185) [0.505, 0.5102, 0.00911]\n", + " PeriodicSite: Cl (10.29, 10.04, 10.15) [0.5066, 0.4942, 0.4997]\n", + " PeriodicSite: Cl (19.91, 5.245, 5.659) [0.9803, 0.2582, 0.2786]\n", + " PeriodicSite: Cl (0.1906, 5.128, 15.21) [0.009386, 0.2525, 0.7489]\n", + " PeriodicSite: Cl (20.14, 15.13, 4.595) [0.9913, 0.7447, 0.2262]\n", + " PeriodicSite: Cl (0.3139, 15.66, 15.2) [0.01545, 0.771, 0.7484]\n", + " PeriodicSite: Cl (10.17, 5.486, 5.354) [0.5005, 0.2701, 0.2636]\n", + " PeriodicSite: Cl (10.24, 5.178, 15.02) [0.5042, 0.2549, 0.7396]\n", + " PeriodicSite: Cl (10.73, 15.58, 5.191) [0.5283, 0.767, 0.2556]\n", + " PeriodicSite: Cl (9.997, 15.12, 14.96) [0.4921, 0.7445, 0.7366]\n", + " PeriodicSite: S (4.638, 20.28, 5.175) [0.2283, 0.9986, 0.2548]\n", + " PeriodicSite: S (5.02, 0.1763, 15.27) [0.2471, 0.008678, 0.7518]\n", + " PeriodicSite: S (5.09, 9.861, 5.244) [0.2506, 0.4855, 0.2582]\n", + " PeriodicSite: S (4.984, 10.19, 15.26) [0.2454, 0.5017, 0.7513]\n", + " PeriodicSite: S (15.13, 0.08266, 4.989) [0.7448, 0.004063, 0.2456]\n", + " PeriodicSite: S (15.27, 20.09, 15.36) [0.7516, 0.9892, 0.7562]\n", + " PeriodicSite: S (15.15, 10.09, 5.255) [0.7457, 0.4968, 0.2587]\n", + " PeriodicSite: S (15.52, 10.17, 15.26) [0.7641, 0.5007, 0.7511]\n", + " PeriodicSite: S (4.999, 5.124, 0.2592) [0.2461, 0.2522, 0.01276]\n", + " PeriodicSite: S (5.263, 5.146, 10.55) [0.2591, 0.2533, 0.5195]\n", + " PeriodicSite: S (5.329, 15.26, 0.04414) [0.2624, 0.7512, 0.002176]\n", + " PeriodicSite: S (5.319, 15.08, 10.07) [0.2619, 0.7425, 0.4955]\n", + " PeriodicSite: S (15.4, 4.944, 0.1393) [0.7583, 0.2434, 0.006861]\n", + " PeriodicSite: S (15.02, 5.107, 10.26) [0.7394, 0.2514, 0.5053]\n", + " PeriodicSite: S (15.21, 15.44, 0.2231) [0.749, 0.7602, 0.01099]\n", + " PeriodicSite: S (15.71, 15.27, 10.33) [0.7737, 0.7515, 0.5085]\n", + " PeriodicSite: S (8.488, 4.478, 8.649) [0.4179, 0.2204, 0.4258]\n", + " PeriodicSite: S (8.879, 3.746, 19.27) [0.4371, 0.1844, 0.9485]\n", + " PeriodicSite: S (9.464, 13.69, 8.785) [0.4659, 0.6739, 0.4325]\n", + " PeriodicSite: S (9.051, 14.4, 18.91) [0.4456, 0.7092, 0.9311]\n", + " PeriodicSite: S (19.27, 3.729, 9.106) [0.9488, 0.1836, 0.4483]\n", + " PeriodicSite: S (19.08, 3.871, 19.28) [0.9395, 0.1906, 0.949]\n", + " PeriodicSite: S (19.24, 13.92, 9.023) [0.9471, 0.6851, 0.4442]\n", + " PeriodicSite: S (18.72, 14.22, 19.16) [0.9218, 0.6998, 0.9434]\n", + " PeriodicSite: S (3.64, 1.262, 0.9792) [0.1792, 0.06211, 0.04821]\n", + " PeriodicSite: S (3.827, 1.058, 11.36) [0.1884, 0.05209, 0.5593]\n", + " PeriodicSite: S (3.902, 11.67, 1.424) [0.1921, 0.5746, 0.07012]\n", + " PeriodicSite: S (3.911, 11.4, 11.31) [0.1926, 0.5613, 0.557]\n", + " PeriodicSite: S (13.65, 0.9638, 0.948) [0.672, 0.04744, 0.04668]\n", + " PeriodicSite: S (13.84, 1.152, 11.56) [0.6811, 0.05671, 0.5693]\n", + " PeriodicSite: S (13.73, 11.25, 1.326) [0.6761, 0.5537, 0.06531]\n", + " PeriodicSite: S (13.92, 10.84, 11.59) [0.6851, 0.5334, 0.5703]\n", + " PeriodicSite: S (6.366, 1.255, 8.947) [0.3134, 0.0618, 0.4405]\n", + " PeriodicSite: S (6.248, 1.338, 19.29) [0.3076, 0.06586, 0.9497]\n", + " PeriodicSite: S (6.683, 11.46, 9.511) [0.329, 0.5643, 0.4682]\n", + " PeriodicSite: S (6.446, 11.35, 19.11) [0.3173, 0.5589, 0.941]\n", + " PeriodicSite: S (16.1, 1.4, 8.978) [0.7929, 0.06894, 0.442]\n", + " PeriodicSite: S (16.18, 1.187, 19.04) [0.7964, 0.05842, 0.9375]\n", + " PeriodicSite: S (16.18, 11.48, 9.071) [0.7966, 0.5651, 0.4466]\n", + " PeriodicSite: S (16.24, 11.42, 19.37) [0.7997, 0.562, 0.9537]\n", + " PeriodicSite: S (1.244, 4.029, 1.23) [0.06125, 0.1984, 0.06057]\n", + " PeriodicSite: S (1.616, 4.09, 11.01) [0.07954, 0.2014, 0.5419]\n", + " PeriodicSite: S (1.118, 14.23, 1.138) [0.05504, 0.7003, 0.05602]\n", + " PeriodicSite: S (1.316, 14.04, 11.34) [0.06478, 0.691, 0.5585]\n", + " PeriodicSite: S (11.22, 4.155, 1.471) [0.5525, 0.2046, 0.07242]\n", + " PeriodicSite: S (10.75, 3.936, 11.2) [0.5293, 0.1938, 0.5514]\n", + " PeriodicSite: S (11.17, 14.28, 1.226) [0.55, 0.7029, 0.06034]\n", + " PeriodicSite: S (11.72, 13.58, 11.14) [0.5767, 0.6684, 0.5484]\n", + " PeriodicSite: S (2.356, 2.929, 17.98) [0.116, 0.1442, 0.8854]\n", + " PeriodicSite: S (2.62, 12.48, 7.711) [0.129, 0.6142, 0.3796]\n", + " PeriodicSite: S (12.61, 2.628, 7.787) [0.6208, 0.1294, 0.3834]\n", + " PeriodicSite: S (9.032, 9.247, 3.773) [0.4447, 0.4552, 0.1857]\n", + " PeriodicSite: S (9.184, 8.617, 14.15) [0.4522, 0.4242, 0.6966]\n", + " PeriodicSite: S (8.959, 18.9, 3.965) [0.441, 0.9302, 0.1952]\n", + " PeriodicSite: S (8.923, 19.28, 13.59) [0.4393, 0.9493, 0.669]\n", + " PeriodicSite: S (19.02, 8.838, 4.194) [0.9366, 0.4351, 0.2065]\n", + " PeriodicSite: S (19.09, 9.117, 13.8) [0.9396, 0.4488, 0.6792]\n", + " PeriodicSite: S (18.88, 19.26, 3.622) [0.9292, 0.948, 0.1783]\n", + " PeriodicSite: S (19.2, 18.99, 14.04) [0.9454, 0.9351, 0.6911]\n", + " PeriodicSite: S (3.895, 6.1, 6.64) [0.1917, 0.3003, 0.3269]\n", + " PeriodicSite: S (3.633, 5.868, 16.34) [0.1789, 0.2889, 0.8043]\n", + " PeriodicSite: S (3.61, 16.42, 6.389) [0.1777, 0.8084, 0.3146]\n", + " PeriodicSite: S (3.564, 16.08, 16.49) [0.1755, 0.7918, 0.8116]\n", + " PeriodicSite: S (14.37, 5.959, 6.662) [0.7074, 0.2934, 0.328]\n", + " PeriodicSite: S (13.94, 6.04, 16.83) [0.6865, 0.2974, 0.8286]\n", + " PeriodicSite: S (14.33, 16.64, 6.536) [0.7053, 0.8192, 0.3218]\n", + " PeriodicSite: S (14.41, 15.92, 17.13) [0.7095, 0.7837, 0.8435]\n", + " PeriodicSite: S (6.022, 6.162, 3.988) [0.2965, 0.3034, 0.1963]\n", + " PeriodicSite: S (6.053, 6.161, 14.14) [0.298, 0.3033, 0.6963]\n", + " PeriodicSite: S (5.955, 16.63, 4.074) [0.2932, 0.8189, 0.2006]\n", + " PeriodicSite: S (5.867, 16.47, 13.95) [0.2888, 0.8109, 0.6869]\n", + " PeriodicSite: S (15.98, 5.882, 3.683) [0.7867, 0.2896, 0.1813]\n", + " PeriodicSite: S (16.32, 6.411, 14.48) [0.8035, 0.3156, 0.7128]\n", + " PeriodicSite: S (16.39, 16.46, 3.851) [0.8071, 0.8104, 0.1896]\n", + " PeriodicSite: S (16.45, 16.37, 14.36) [0.8101, 0.8058, 0.7069]\n", + " PeriodicSite: S (1.094, 9.324, 6.441) [0.05384, 0.4591, 0.3171]\n", + " PeriodicSite: S (1.256, 8.969, 16.22) [0.06185, 0.4416, 0.7985]\n", + " PeriodicSite: S (1.056, 18.78, 5.799) [0.05199, 0.9245, 0.2855]\n", + " PeriodicSite: S (1.284, 19.14, 16.25) [0.0632, 0.9421, 0.8001]\n", + " PeriodicSite: S (10.97, 9.364, 6.557) [0.5403, 0.461, 0.3228]\n", + " PeriodicSite: S (11.4, 9.218, 16.67) [0.5613, 0.4538, 0.8208]\n", + " PeriodicSite: S (11.24, 19.16, 6.541) [0.5534, 0.9431, 0.322]\n", + " PeriodicSite: S (11.18, 19.17, 16.16) [0.5502, 0.9438, 0.7956]\n", + " PeriodicSite: S (2.692, 17.38, 2.283) [0.1325, 0.8556, 0.1124]\n", + " PeriodicSite: S (2.574, 17.78, 12.54) [0.1267, 0.8751, 0.6172]\n", + " PeriodicSite: S (12.87, 7.349, 12.63) [0.6338, 0.3618, 0.6216]\n", + " PeriodicSite: S (12.73, 17.91, 2.846) [0.6267, 0.8815, 0.1401]\n", + " PeriodicSite: S (3.42, 4.065, 3.93) [0.1684, 0.2001, 0.1935]\n", + " PeriodicSite: S (3.852, 3.674, 13.95) [0.1896, 0.1809, 0.6867]\n", + " PeriodicSite: S (4.017, 13.9, 4.087) [0.1978, 0.6843, 0.2012]\n", + " PeriodicSite: S (4.189, 13.75, 13.91) [0.2062, 0.677, 0.6848]\n", + " PeriodicSite: S (13.59, 3.712, 4.131) [0.6689, 0.1827, 0.2034]\n", + " PeriodicSite: S (14.05, 3.962, 14.1) [0.6916, 0.195, 0.6939]\n", + " PeriodicSite: S (13.95, 14.22, 4.239) [0.6868, 0.6999, 0.2087]\n", + " PeriodicSite: S (14.11, 14.03, 14.14) [0.6948, 0.6905, 0.6963]\n", + " PeriodicSite: S (8.715, 1.238, 6.255) [0.429, 0.06095, 0.3079]\n", + " PeriodicSite: S (8.798, 1.256, 16.25) [0.4332, 0.06182, 0.8001]\n", + " PeriodicSite: S (8.58, 11.77, 6.341) [0.4224, 0.5795, 0.3122]\n", + " PeriodicSite: S (8.872, 11.32, 16.05) [0.4368, 0.5572, 0.7901]\n", + " PeriodicSite: S (19.3, 1.306, 6.158) [0.95, 0.0643, 0.3032]\n", + " PeriodicSite: S (19.31, 1.124, 16.28) [0.9505, 0.05532, 0.8014]\n", + " PeriodicSite: S (19.1, 11.7, 6.005) [0.9401, 0.5762, 0.2957]\n", + " PeriodicSite: S (19.46, 11.39, 16.4) [0.958, 0.5608, 0.8075]\n", + " PeriodicSite: S (1.027, 1.086, 3.54) [0.05057, 0.05346, 0.1743]\n", + " PeriodicSite: S (1.06, 1.066, 13.62) [0.05217, 0.05249, 0.6706]\n", + " PeriodicSite: S (1.221, 11.0, 3.71) [0.06011, 0.5413, 0.1826]\n", + " PeriodicSite: S (1.226, 11.36, 13.73) [0.06035, 0.5591, 0.6761]\n", + " PeriodicSite: S (11.19, 1.126, 4.005) [0.5509, 0.05543, 0.1972]\n", + " PeriodicSite: S (11.16, 1.504, 14.13) [0.5494, 0.07406, 0.6958]\n", + " PeriodicSite: S (11.17, 11.68, 4.188) [0.55, 0.5751, 0.2062]\n", + " PeriodicSite: S (11.57, 11.2, 14.11) [0.5695, 0.5514, 0.6949]\n", + " PeriodicSite: S (6.152, 3.615, 6.061) [0.3029, 0.178, 0.2984]\n", + " PeriodicSite: S (5.773, 3.421, 16.57) [0.2842, 0.1684, 0.8157]\n", + " PeriodicSite: S (6.422, 14.36, 6.331) [0.3161, 0.7072, 0.3117]\n", + " PeriodicSite: S (6.401, 14.14, 16.48) [0.3151, 0.6959, 0.8112]\n", + " PeriodicSite: S (16.3, 3.541, 6.166) [0.8022, 0.1743, 0.3036]\n", + " PeriodicSite: S (16.51, 3.732, 16.4) [0.8128, 0.1837, 0.8073]\n", + " PeriodicSite: S (16.7, 14.16, 6.366) [0.822, 0.697, 0.3134]\n", + " PeriodicSite: S (16.77, 13.72, 16.18) [0.8255, 0.6757, 0.7965]\n", + " PeriodicSite: S (7.26, 2.362, 12.46) [0.3574, 0.1163, 0.6134]\n", + " PeriodicSite: S (7.554, 13.06, 2.282) [0.3719, 0.643, 0.1123]\n", + " PeriodicSite: S (17.38, 2.454, 2.566) [0.8557, 0.1208, 0.1263]\n", + " PeriodicSite: S (17.59, 12.66, 2.396) [0.866, 0.6235, 0.1179]\n", + " PeriodicSite: S (17.7, 12.91, 12.77) [0.8715, 0.6356, 0.6288]\n", + " PeriodicSite: S (4.277, 8.934, 9.045) [0.2106, 0.4398, 0.4453]\n", + " PeriodicSite: S (3.698, 9.201, 19.51) [0.1821, 0.453, 0.9607]\n", + " PeriodicSite: S (4.132, 19.12, 8.686) [0.2034, 0.9411, 0.4276]\n", + " PeriodicSite: S (3.651, 19.23, 19.02) [0.1797, 0.9466, 0.9365]\n", + " PeriodicSite: S (14.38, 8.873, 9.009) [0.708, 0.4368, 0.4435]\n", + " PeriodicSite: S (14.16, 9.045, 19.19) [0.6972, 0.4453, 0.9448]\n", + " PeriodicSite: S (14.07, 19.12, 8.96) [0.6927, 0.9415, 0.4411]\n", + " PeriodicSite: S (13.75, 19.07, 18.9) [0.6772, 0.9389, 0.9303]\n", + " PeriodicSite: S (8.808, 6.47, 0.7875) [0.4336, 0.3185, 0.03877]\n", + " PeriodicSite: S (9.137, 6.77, 11.01) [0.4498, 0.3333, 0.5423]\n", + " PeriodicSite: S (9.014, 16.82, 0.9761) [0.4438, 0.8282, 0.04806]\n", + " PeriodicSite: S (9.302, 15.99, 11.26) [0.4579, 0.7873, 0.5546]\n", + " PeriodicSite: S (19.03, 6.348, 1.046) [0.937, 0.3125, 0.05148]\n", + " PeriodicSite: S (19.5, 6.341, 11.18) [0.9601, 0.3122, 0.5506]\n", + " PeriodicSite: S (19.2, 16.72, 1.189) [0.9452, 0.8232, 0.05854]\n", + " PeriodicSite: S (19.17, 16.27, 11.42) [0.9437, 0.8011, 0.5624]\n", + " PeriodicSite: S (1.144, 6.313, 8.521) [0.05631, 0.3108, 0.4195]\n", + " PeriodicSite: S (1.162, 6.395, 19.07) [0.05719, 0.3149, 0.9389]\n", + " PeriodicSite: S (1.235, 16.24, 8.903) [0.06081, 0.7996, 0.4383]\n", + " PeriodicSite: S (1.213, 16.38, 19.2) [0.05971, 0.8063, 0.9451]\n", + " PeriodicSite: S (11.5, 6.03, 8.795) [0.566, 0.2968, 0.433]\n", + " PeriodicSite: S (11.35, 6.085, 18.91) [0.5589, 0.2996, 0.9312]\n", + " PeriodicSite: S (11.76, 15.99, 8.741) [0.5792, 0.787, 0.4303]\n", + " PeriodicSite: S (11.61, 16.5, 18.96) [0.5715, 0.8121, 0.9336]\n", + " PeriodicSite: S (6.29, 9.242, 1.448) [0.3097, 0.455, 0.07127]\n", + " PeriodicSite: S (6.346, 8.802, 11.39) [0.3124, 0.4333, 0.5609]\n", + " PeriodicSite: S (6.072, 19.17, 1.061) [0.2989, 0.9439, 0.05221]\n", + " PeriodicSite: S (6.42, 19.29, 11.22) [0.3161, 0.9498, 0.5522]\n", + " PeriodicSite: S (16.29, 8.987, 1.43) [0.802, 0.4424, 0.07038]\n", + " PeriodicSite: S (16.5, 8.889, 11.59) [0.8125, 0.4376, 0.5706]\n", + " PeriodicSite: S (16.03, 19.1, 1.018) [0.7893, 0.9404, 0.05012]\n", + " PeriodicSite: S (16.52, 19.37, 11.29) [0.8132, 0.9538, 0.5559]\n", + " PeriodicSite: S (6.905, 7.715, 17.64) [0.34, 0.3798, 0.8687]\n", + " PeriodicSite: S (7.649, 17.47, 7.488) [0.3766, 0.86, 0.3686]\n", + " PeriodicSite: S (17.73, 7.639, 7.749) [0.873, 0.3761, 0.3815]\n", + " PeriodicSite: S (17.87, 17.76, 7.823) [0.8798, 0.8742, 0.3851]\n", + " PeriodicSite: P (4.978, 0.09407, 20.14) [0.2451, 0.004631, 0.9915]\n", + " PeriodicSite: P (5.133, 0.04627, 10.06) [0.2527, 0.002277, 0.4955]\n", + " PeriodicSite: P (5.127, 10.32, 0.2011) [0.2524, 0.5078, 0.009905]\n", + " PeriodicSite: P (5.259, 10.26, 10.33) [0.2589, 0.5049, 0.5085]\n", + " PeriodicSite: P (14.86, 20.28, 20.06) [0.7317, 0.9982, 0.9873]\n", + " PeriodicSite: P (15.12, 0.1255, 10.25) [0.7443, 0.006174, 0.5047]\n", + " PeriodicSite: P (15.11, 10.15, 0.3188) [0.7439, 0.4998, 0.0157]\n", + " PeriodicSite: P (15.35, 10.08, 10.33) [0.7559, 0.4963, 0.5088]\n", + " PeriodicSite: P (4.925, 5.023, 5.28) [0.2425, 0.2473, 0.2599]\n", + " PeriodicSite: P (4.964, 4.873, 15.25) [0.2444, 0.2399, 0.7506]\n", + " PeriodicSite: P (4.966, 15.18, 5.218) [0.2445, 0.7475, 0.2569]\n", + " PeriodicSite: P (4.977, 15.21, 15.18) [0.245, 0.7486, 0.7471]\n", + " PeriodicSite: P (15.05, 4.788, 5.187) [0.7409, 0.2357, 0.2553]\n", + " PeriodicSite: P (15.19, 5.014, 15.48) [0.7477, 0.2469, 0.7623]\n", + " PeriodicSite: P (15.39, 15.3, 5.305) [0.7577, 0.7535, 0.2612]\n", + " PeriodicSite: P (15.32, 15.05, 15.44) [0.7543, 0.741, 0.7602]\n", + " PeriodicSite: P (20.23, 0.07008, 4.815) [0.9958, 0.003441, 0.2371]\n", + " PeriodicSite: P (0.06161, 20.28, 15.15) [0.003028, 0.9984, 0.746]\n", + " PeriodicSite: P (20.25, 10.24, 5.001) [0.9967, 0.5041, 0.2462]\n", + " PeriodicSite: P (0.06799, 10.19, 15.07) [0.003347, 0.5016, 0.7417]\n", + " PeriodicSite: P (10.05, 20.2, 5.131) [0.4946, 0.9945, 0.2526]\n", + " PeriodicSite: P (9.948, 0.019, 15.06) [0.4898, 0.0009319, 0.7412]\n", + " PeriodicSite: P (9.85, 10.52, 5.236) [0.4849, 0.5181, 0.2578]\n", + " PeriodicSite: P (10.26, 10.03, 15.13) [0.5052, 0.4937, 0.745]\n", + " PeriodicSite: P (20.26, 5.089, 0.005201) [0.9977, 0.2505, 0.000262]\n", + " PeriodicSite: P (0.2616, 5.246, 9.976) [0.01288, 0.2583, 0.4911]\n", + " PeriodicSite: P (20.16, 15.27, 20.3) [0.9923, 0.7518, 0.9993]\n", + " PeriodicSite: P (0.0961, 15.13, 10.21) [0.004727, 0.7447, 0.5028]\n", + " PeriodicSite: P (10.14, 5.18, 20.23) [0.4991, 0.255, 0.9957]\n", + " PeriodicSite: P (9.836, 5.292, 9.859) [0.4842, 0.2605, 0.4854]\n", + " PeriodicSite: P (10.15, 15.44, 20.15) [0.4998, 0.76, 0.9919]\n", + " PeriodicSite: P (10.46, 14.84, 9.977) [0.5152, 0.7305, 0.4912],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.818, 6.083, 4.474) [0.0895, 0.2995, 0.2203]\n", + " PeriodicSite: Li (0.8883, 3.507, 13.22) [0.04373, 0.1727, 0.6509]\n", + " PeriodicSite: Li (0.6386, 11.69, 7.692) [0.03143, 0.5757, 0.3787]\n", + " PeriodicSite: Li (1.259, 14.99, 17.38) [0.06199, 0.7379, 0.8558]\n", + " PeriodicSite: Li (14.71, 1.496, 7.306) [0.724, 0.07364, 0.3597]\n", + " PeriodicSite: Li (11.85, 3.684, 15.24) [0.5836, 0.1814, 0.7504]\n", + " PeriodicSite: Li (13.76, 11.41, 4.195) [0.6772, 0.5617, 0.2065]\n", + " PeriodicSite: Li (17.52, 7.98, 15.4) [0.8623, 0.3928, 0.7582]\n", + " PeriodicSite: Li (3.522, 5.017, 8.778) [0.1734, 0.247, 0.4321]\n", + " PeriodicSite: Li (1.011, 2.347, 19.5) [0.0498, 0.1155, 0.9598]\n", + " PeriodicSite: Li (3.8, 8.294, 5.309) [0.1871, 0.4083, 0.2614]\n", + " PeriodicSite: Li (7.256, 9.871, 17.67) [0.3572, 0.486, 0.8698]\n", + " PeriodicSite: Li (12.03, 4.563, 6.515) [0.5923, 0.2247, 0.3208]\n", + " PeriodicSite: Li (12.3, 1.674, 19.83) [0.6056, 0.08241, 0.9764]\n", + " PeriodicSite: Li (11.69, 9.691, 12.04) [0.5756, 0.4771, 0.5926]\n", + " PeriodicSite: Li (11.45, 18.78, 18.83) [0.5636, 0.9247, 0.9269]\n", + " PeriodicSite: Li (4.858, 1.382, 6.969) [0.2392, 0.06803, 0.3431]\n", + " PeriodicSite: Li (3.29, 19.71, 13.82) [0.162, 0.9705, 0.6804]\n", + " PeriodicSite: Li (3.142, 10.56, 6.859) [0.1547, 0.5197, 0.3377]\n", + " PeriodicSite: Li (7.132, 9.949, 13.75) [0.3511, 0.4898, 0.6769]\n", + " PeriodicSite: Li (12.19, 0.5501, 8.471) [0.5999, 0.02708, 0.4171]\n", + " PeriodicSite: Li (10.09, 1.811, 17.95) [0.4967, 0.08918, 0.8838]\n", + " PeriodicSite: Li (13.73, 15.45, 8.746) [0.6761, 0.7605, 0.4306]\n", + " PeriodicSite: Li (12.14, 10.95, 20.14) [0.5975, 0.5389, 0.9917]\n", + " PeriodicSite: Li (20.26, 3.216, 6.787) [0.9975, 0.1583, 0.3341]\n", + " PeriodicSite: Li (0.6302, 3.947, 17.21) [0.03103, 0.1943, 0.8472]\n", + " PeriodicSite: Li (1.677, 14.48, 6.999) [0.08254, 0.7131, 0.3445]\n", + " PeriodicSite: Li (4.333, 14.67, 18.12) [0.2133, 0.7222, 0.8923]\n", + " PeriodicSite: Li (12.82, 2.068, 5.314) [0.6313, 0.1018, 0.2616]\n", + " PeriodicSite: Li (14.66, 1.493, 17.0) [0.7219, 0.07348, 0.8367]\n", + " PeriodicSite: Li (11.39, 12.13, 9.805) [0.5608, 0.5969, 0.4827]\n", + " PeriodicSite: Li (16.7, 16.92, 19.87) [0.8223, 0.8331, 0.9781]\n", + " PeriodicSite: Li (6.467, 0.8869, 4.178) [0.3184, 0.04366, 0.2057]\n", + " PeriodicSite: Li (20.11, 17.39, 2.654) [0.9898, 0.8563, 0.1307]\n", + " PeriodicSite: Li (2.669, 14.77, 10.06) [0.1314, 0.727, 0.4953]\n", + " PeriodicSite: Li (1.785, 17.33, 15.05) [0.08786, 0.8534, 0.7408]\n", + " PeriodicSite: Li (14.69, 4.284, 7.867) [0.7231, 0.2109, 0.3873]\n", + " PeriodicSite: Li (13.45, 4.685, 18.2) [0.6622, 0.2306, 0.8958]\n", + " PeriodicSite: Li (17.78, 15.68, 7.507) [0.8753, 0.7718, 0.3696]\n", + " PeriodicSite: Li (10.22, 12.1, 18.81) [0.503, 0.5959, 0.926]\n", + " PeriodicSite: Li (2.745, 1.791, 4.994) [0.1351, 0.08818, 0.2458]\n", + " PeriodicSite: Li (2.759, 0.3865, 18.24) [0.1358, 0.01903, 0.8979]\n", + " PeriodicSite: Li (3.431, 12.34, 4.99) [0.1689, 0.6076, 0.2457]\n", + " PeriodicSite: Li (18.7, 13.92, 4.849) [0.9208, 0.6851, 0.2387]\n", + " PeriodicSite: Li (9.954, 2.592, 7.587) [0.49, 0.1276, 0.3735]\n", + " PeriodicSite: Li (17.5, 19.93, 15.45) [0.8618, 0.9811, 0.7607]\n", + " PeriodicSite: Li (13.67, 9.717, 6.966) [0.6728, 0.4784, 0.343]\n", + " PeriodicSite: Li (15.41, 8.349, 16.96) [0.7585, 0.411, 0.835]\n", + " PeriodicSite: Li (3.509, 12.14, 15.37) [0.1727, 0.5975, 0.7565]\n", + " PeriodicSite: Li (2.494, 11.39, 9.918) [0.1228, 0.5608, 0.4883]\n", + " PeriodicSite: Li (1.658, 15.5, 3.411) [0.0816, 0.7631, 0.1679]\n", + " PeriodicSite: Li (1.993, 1.315, 10.73) [0.09812, 0.06473, 0.5281]\n", + " PeriodicSite: Li (11.2, 5.421, 3.081) [0.5513, 0.2669, 0.1517]\n", + " PeriodicSite: Li (12.27, 7.333, 15.13) [0.6043, 0.361, 0.7448]\n", + " PeriodicSite: Li (10.8, 13.8, 7.121) [0.5318, 0.6795, 0.3506]\n", + " PeriodicSite: Li (12.87, 19.72, 14.44) [0.6334, 0.9711, 0.7111]\n", + " PeriodicSite: Li (3.665, 6.431, 0.7698) [0.1804, 0.3166, 0.0379]\n", + " PeriodicSite: Li (3.283, 5.212, 12.03) [0.1616, 0.2566, 0.5923]\n", + " PeriodicSite: Li (6.176, 17.44, 19.54) [0.304, 0.8586, 0.9617]\n", + " PeriodicSite: Li (4.348, 18.67, 16.9) [0.2141, 0.9193, 0.8318]\n", + " PeriodicSite: Li (13.68, 5.202, 1.564) [0.6736, 0.2561, 0.07701]\n", + " PeriodicSite: Li (10.81, 6.796, 12.85) [0.5323, 0.3346, 0.6328]\n", + " PeriodicSite: Li (12.48, 16.13, 4.677) [0.6143, 0.794, 0.2303]\n", + " PeriodicSite: Li (10.52, 17.48, 13.14) [0.5177, 0.8608, 0.6471]\n", + " PeriodicSite: Li (3.954, 10.59, 17.75) [0.1947, 0.5211, 0.8736]\n", + " PeriodicSite: Li (4.561, 7.758, 10.88) [0.2246, 0.3819, 0.5357]\n", + " PeriodicSite: Li (4.563, 17.55, 1.637) [0.2246, 0.8641, 0.08058]\n", + " PeriodicSite: Li (2.342, 17.87, 10.5) [0.1153, 0.8799, 0.517]\n", + " PeriodicSite: Li (10.13, 8.747, 2.025) [0.4988, 0.4306, 0.09968]\n", + " PeriodicSite: Li (14.24, 5.255, 12.57) [0.7011, 0.2587, 0.619]\n", + " PeriodicSite: Li (10.49, 16.47, 2.879) [0.5163, 0.8108, 0.1417]\n", + " PeriodicSite: Li (13.67, 15.66, 12.43) [0.6731, 0.7708, 0.6121]\n", + " PeriodicSite: Li (0.5078, 8.933, 2.022) [0.02499, 0.4398, 0.09953]\n", + " PeriodicSite: Li (17.46, 4.374, 10.4) [0.8597, 0.2153, 0.5118]\n", + " PeriodicSite: Li (3.406, 18.33, 4.903) [0.1677, 0.9024, 0.2414]\n", + " PeriodicSite: Li (0.8182, 19.04, 12.55) [0.04028, 0.9372, 0.6176]\n", + " PeriodicSite: Li (9.898, 7.803, 5.593) [0.4873, 0.3842, 0.2753]\n", + " PeriodicSite: Li (12.82, 10.8, 16.26) [0.6309, 0.5315, 0.8003]\n", + " PeriodicSite: Li (14.64, 16.11, 2.358) [0.7209, 0.7933, 0.1161]\n", + " PeriodicSite: Li (12.64, 15.23, 15.81) [0.6224, 0.7499, 0.7781]\n", + " PeriodicSite: Li (6.512, 8.654, 4.949) [0.3206, 0.426, 0.2436]\n", + " PeriodicSite: Li (20.2, 11.92, 12.51) [0.9945, 0.5868, 0.6157]\n", + " PeriodicSite: Li (19.41, 17.84, 5.813) [0.9555, 0.8785, 0.2862]\n", + " PeriodicSite: Li (6.887, 18.55, 14.94) [0.3391, 0.913, 0.7354]\n", + " PeriodicSite: Li (17.24, 11.36, 4.42) [0.849, 0.5592, 0.2176]\n", + " PeriodicSite: Li (13.0, 6.839, 10.7) [0.6401, 0.3367, 0.5269]\n", + " PeriodicSite: Li (13.46, 17.09, 0.3854) [0.6624, 0.8415, 0.01898]\n", + " PeriodicSite: Li (11.65, 18.29, 10.41) [0.5738, 0.9003, 0.5124]\n", + " PeriodicSite: Li (4.469, 2.904, 19.13) [0.22, 0.143, 0.9416]\n", + " PeriodicSite: Li (3.47, 9.816, 13.79) [0.1708, 0.4832, 0.6789]\n", + " PeriodicSite: Li (2.606, 19.9, 2.392) [0.1283, 0.9798, 0.1178]\n", + " PeriodicSite: Li (0.7426, 15.84, 12.89) [0.03655, 0.7796, 0.6347]\n", + " PeriodicSite: Li (15.21, 9.252, 3.214) [0.7489, 0.4555, 0.1582]\n", + " PeriodicSite: Li (14.86, 9.163, 13.16) [0.7317, 0.4511, 0.6478]\n", + " PeriodicSite: Li (12.7, 19.38, 4.732) [0.6253, 0.954, 0.233]\n", + " PeriodicSite: Li (18.27, 4.237, 14.14) [0.8993, 0.2086, 0.6962]\n", + " PeriodicSite: Li (9.834, 2.075, 1.898) [0.4841, 0.1021, 0.09346]\n", + " PeriodicSite: Li (8.546, 0.4486, 12.14) [0.4207, 0.02208, 0.5978]\n", + " PeriodicSite: Li (6.727, 11.81, 4.272) [0.3312, 0.5812, 0.2103]\n", + " PeriodicSite: Li (6.605, 12.38, 15.04) [0.3252, 0.6093, 0.7406]\n", + " PeriodicSite: Li (18.01, 3.248, 4.322) [0.8867, 0.1599, 0.2128]\n", + " PeriodicSite: Li (12.95, 3.56, 9.862) [0.6374, 0.1752, 0.4855]\n", + " PeriodicSite: Li (19.83, 12.12, 2.172) [0.9763, 0.5966, 0.1069]\n", + " PeriodicSite: Li (17.75, 10.42, 13.25) [0.8737, 0.5128, 0.6524]\n", + " PeriodicSite: Li (6.013, 18.99, 6.253) [0.296, 0.935, 0.3078]\n", + " PeriodicSite: Li (9.599, 3.446, 13.32) [0.4726, 0.1697, 0.656]\n", + " PeriodicSite: Li (6.85, 14.07, 19.44) [0.3372, 0.6928, 0.957]\n", + " PeriodicSite: Li (10.22, 13.24, 13.53) [0.503, 0.6516, 0.666]\n", + " PeriodicSite: Li (15.03, 18.72, 3.49) [0.74, 0.9214, 0.1718]\n", + " PeriodicSite: Li (18.53, 0.3351, 11.96) [0.9125, 0.01649, 0.589]\n", + " PeriodicSite: Li (17.34, 15.09, 2.318) [0.8538, 0.7427, 0.1141]\n", + " PeriodicSite: Li (17.3, 15.13, 12.22) [0.8518, 0.7447, 0.6015]\n", + " PeriodicSite: Li (7.47, 5.429, 4.839) [0.3678, 0.2672, 0.2382]\n", + " PeriodicSite: Li (5.821, 0.5534, 13.23) [0.2866, 0.02724, 0.6513]\n", + " PeriodicSite: Li (9.643, 13.09, 2.133) [0.4747, 0.6445, 0.105]\n", + " PeriodicSite: Li (5.821, 13.52, 11.76) [0.2866, 0.6657, 0.5788]\n", + " PeriodicSite: Li (19.83, 2.751, 1.957) [0.9765, 0.1354, 0.09636]\n", + " PeriodicSite: Li (0.558, 7.714, 11.84) [0.02747, 0.3798, 0.5828]\n", + " PeriodicSite: Li (15.48, 13.18, 2.335) [0.7623, 0.6489, 0.115]\n", + " PeriodicSite: Li (16.05, 12.64, 14.13) [0.7901, 0.6221, 0.6955]\n", + " PeriodicSite: Li (2.613, 20.07, 7.087) [0.1286, 0.9881, 0.3489]\n", + " PeriodicSite: Li (6.928, 2.17, 14.95) [0.3411, 0.1068, 0.7361]\n", + " PeriodicSite: Li (5.044, 13.4, 1.888) [0.2483, 0.6599, 0.09297]\n", + " PeriodicSite: Li (8.497, 7.154, 15.73) [0.4183, 0.3522, 0.7742]\n", + " PeriodicSite: Li (17.08, 4.867, 1.643) [0.8411, 0.2396, 0.08088]\n", + " PeriodicSite: Li (15.32, 18.66, 13.59) [0.7544, 0.9187, 0.669]\n", + " PeriodicSite: Li (13.24, 14.36, 19.8) [0.6519, 0.7071, 0.975]\n", + " PeriodicSite: Li (17.19, 12.71, 10.6) [0.8461, 0.6259, 0.5221]\n", + " PeriodicSite: Li (7.347, 4.669, 0.2641) [0.3617, 0.2299, 0.013]\n", + " PeriodicSite: Li (5.151, 3.036, 12.14) [0.2536, 0.1495, 0.5976]\n", + " PeriodicSite: Li (7.358, 11.12, 0.8667) [0.3623, 0.5476, 0.04267]\n", + " PeriodicSite: Li (8.161, 11.4, 10.52) [0.4018, 0.5614, 0.5178]\n", + " PeriodicSite: Li (15.35, 2.343, 3.758) [0.7555, 0.1153, 0.185]\n", + " PeriodicSite: Li (15.41, 2.65, 11.08) [0.7587, 0.1304, 0.5454]\n", + " PeriodicSite: Li (0.7394, 11.4, 18.1) [0.0364, 0.5614, 0.8909]\n", + " PeriodicSite: Li (18.95, 13.85, 14.81) [0.9328, 0.6816, 0.7292]\n", + " PeriodicSite: Li (8.038, 0.9449, 0.05913) [0.3957, 0.04651, 0.002914]\n", + " PeriodicSite: Li (7.504, 3.463, 10.42) [0.3695, 0.1705, 0.5129]\n", + " PeriodicSite: Li (8.593, 13.89, 4.753) [0.423, 0.684, 0.234]\n", + " PeriodicSite: Li (4.762, 16.99, 12.13) [0.2344, 0.8366, 0.5974]\n", + " PeriodicSite: Li (16.04, 2.552, 0.2766) [0.7895, 0.1256, 0.01362]\n", + " PeriodicSite: Li (1.611, 6.787, 14.86) [0.07931, 0.3341, 0.7314]\n", + " PeriodicSite: Li (4.821, 13.86, 8.166) [0.2373, 0.6824, 0.402]\n", + " PeriodicSite: Li (14.44, 12.87, 9.999) [0.711, 0.6337, 0.4923]\n", + " PeriodicSite: Li (15.14, 12.31, 6.692) [0.7451, 0.6059, 0.3295]\n", + " PeriodicSite: Li (5.725, 8.049, 16.32) [0.2819, 0.3962, 0.8032]\n", + " PeriodicSite: Li (7.421, 15.45, 9.207) [0.3654, 0.7608, 0.4533]\n", + " PeriodicSite: Li (1.388, 18.46, 20.28) [0.06834, 0.909, 0.9982]\n", + " PeriodicSite: Li (17.17, 10.03, 7.336) [0.8453, 0.494, 0.3612]\n", + " PeriodicSite: Li (2.946, 4.962, 18.74) [0.145, 0.2443, 0.9225]\n", + " PeriodicSite: Li (17.17, 0.4091, 4.641) [0.8454, 0.02013, 0.2285]\n", + " PeriodicSite: Li (19.54, 19.27, 17.93) [0.9619, 0.9487, 0.8829]\n", + " PeriodicSite: Li (6.481, 10.17, 6.741) [0.3191, 0.5005, 0.3319]\n", + " PeriodicSite: Li (6.873, 5.507, 17.64) [0.3384, 0.2711, 0.8686]\n", + " PeriodicSite: Li (8.216, 0.03349, 8.243) [0.4045, 0.001646, 0.4058]\n", + " PeriodicSite: Li (8.399, 15.88, 16.02) [0.4135, 0.7816, 0.7885]\n", + " PeriodicSite: Li (18.15, 8.227, 9.983) [0.8937, 0.405, 0.4915]\n", + " PeriodicSite: Li (18.0, 9.249, 19.73) [0.8864, 0.4553, 0.9714]\n", + " PeriodicSite: Li (18.19, 0.0733, 7.92) [0.8955, 0.003601, 0.3899]\n", + " PeriodicSite: Li (18.84, 17.13, 15.36) [0.9276, 0.8432, 0.7563]\n", + " PeriodicSite: Li (7.033, 6.379, 9.014) [0.3462, 0.3141, 0.4438]\n", + " PeriodicSite: Li (4.175, 2.023, 15.95) [0.2056, 0.09957, 0.7854]\n", + " PeriodicSite: Li (7.999, 18.08, 9.966) [0.3938, 0.8899, 0.4906]\n", + " PeriodicSite: Li (16.93, 10.95, 16.85) [0.8333, 0.539, 0.8298]\n", + " PeriodicSite: Li (0.2753, 8.571, 8.255) [0.01355, 0.4219, 0.4064]\n", + " PeriodicSite: Li (16.88, 5.009, 18.55) [0.8312, 0.2466, 0.9135]\n", + " PeriodicSite: Li (15.7, 17.42, 10.02) [0.7728, 0.8575, 0.4935]\n", + " PeriodicSite: Li (16.29, 14.32, 18.83) [0.8019, 0.7049, 0.9269]\n", + " PeriodicSite: Li (9.574, 8.514, 8.785) [0.4713, 0.4192, 0.4325]\n", + " PeriodicSite: Li (4.4, 3.744, 1.745) [0.2166, 0.1843, 0.08593]\n", + " PeriodicSite: Li (5.256, 16.91, 8.475) [0.2588, 0.8324, 0.4172]\n", + " PeriodicSite: Li (7.2, 15.47, 1.865) [0.3545, 0.7615, 0.09183]\n", + " PeriodicSite: Li (15.9, 6.708, 8.709) [0.7827, 0.3302, 0.4288]\n", + " PeriodicSite: Li (20.05, 7.977, 17.71) [0.9869, 0.3927, 0.8717]\n", + " PeriodicSite: Li (15.63, 18.41, 6.491) [0.7696, 0.9062, 0.3195]\n", + " PeriodicSite: Li (15.2, 18.56, 16.96) [0.7483, 0.914, 0.835]\n", + " PeriodicSite: Li (7.038, 5.488, 12.16) [0.3465, 0.2702, 0.5989]\n", + " PeriodicSite: Li (6.211, 7.502, 19.73) [0.3058, 0.3693, 0.9712]\n", + " PeriodicSite: Li (8.049, 17.21, 5.392) [0.3963, 0.8474, 0.2654]\n", + " PeriodicSite: Li (11.99, 19.71, 1.965) [0.5904, 0.9705, 0.09672]\n", + " PeriodicSite: Li (17.9, 7.444, 5.532) [0.8813, 0.3665, 0.2724]\n", + " PeriodicSite: Li (15.13, 7.245, 0.2884) [0.7448, 0.3567, 0.0142]\n", + " PeriodicSite: Li (19.46, 17.5, 9.228) [0.9579, 0.8615, 0.4543]\n", + " PeriodicSite: Li (17.71, 20.28, 1.393) [0.8719, 0.9982, 0.06858]\n", + " PeriodicSite: Li (3.785, 9.954, 2.951) [0.1864, 0.4901, 0.1453]\n", + " PeriodicSite: Li (9.685, 7.539, 18.92) [0.4768, 0.3712, 0.9316]\n", + " PeriodicSite: Li (9.904, 17.42, 7.787) [0.4876, 0.8577, 0.3833]\n", + " PeriodicSite: Li (7.06, 19.97, 17.31) [0.3476, 0.9834, 0.852]\n", + " PeriodicSite: Li (19.34, 5.82, 7.214) [0.9523, 0.2865, 0.3552]\n", + " PeriodicSite: Li (18.18, 12.29, 0.4097) [0.8949, 0.6052, 0.02017]\n", + " PeriodicSite: Li (2.762, 15.93, 0.475) [0.136, 0.7842, 0.02339]\n", + " PeriodicSite: Li (15.75, 1.87, 14.4) [0.7753, 0.09205, 0.7088]\n", + " PeriodicSite: Cl (7.753, 12.45, 12.87) [0.3817, 0.6132, 0.6335]\n", + " PeriodicSite: Cl (2.827, 12.79, 17.55) [0.1392, 0.6295, 0.8639]\n", + " PeriodicSite: Cl (12.5, 17.74, 12.62) [0.6152, 0.8733, 0.6215]\n", + " PeriodicSite: Cl (17.71, 7.758, 17.78) [0.8721, 0.3819, 0.8752]\n", + " PeriodicSite: Cl (7.68, 2.332, 2.188) [0.3781, 0.1148, 0.1077]\n", + " PeriodicSite: Cl (7.538, 8.169, 7.2) [0.3711, 0.4022, 0.3545]\n", + " PeriodicSite: Cl (13.15, 12.69, 7.804) [0.6475, 0.6246, 0.3842]\n", + " PeriodicSite: Cl (2.577, 7.829, 2.871) [0.1269, 0.3854, 0.1413]\n", + " PeriodicSite: Cl (2.626, 7.319, 12.64) [0.1293, 0.3603, 0.6222]\n", + " PeriodicSite: Cl (12.51, 12.33, 18.39) [0.616, 0.6068, 0.9052]\n", + " PeriodicSite: Cl (17.63, 18.22, 17.69) [0.8678, 0.8969, 0.8708]\n", + " PeriodicSite: Cl (2.445, 2.313, 7.432) [0.1204, 0.1139, 0.3659]\n", + " PeriodicSite: Cl (12.69, 2.362, 17.69) [0.625, 0.1163, 0.8707]\n", + " PeriodicSite: Cl (12.59, 7.289, 2.131) [0.6198, 0.3588, 0.1049]\n", + " PeriodicSite: Cl (17.66, 2.524, 12.56) [0.8693, 0.1242, 0.6182]\n", + " PeriodicSite: Cl (7.555, 17.8, 17.38) [0.3719, 0.8761, 0.8555]\n", + " PeriodicSite: Cl (20.1, 0.1383, 20.25) [0.9897, 0.006803, 0.9967]\n", + " PeriodicSite: Cl (0.3116, 19.7, 10.25) [0.01534, 0.9697, 0.5046]\n", + " PeriodicSite: Cl (19.85, 10.57, 19.86) [0.9771, 0.5205, 0.9777]\n", + " PeriodicSite: Cl (0.419, 9.806, 10.34) [0.02063, 0.4828, 0.5089]\n", + " PeriodicSite: Cl (10.3, 0.1619, 20.18) [0.5071, 0.007965, 0.9935]\n", + " PeriodicSite: Cl (9.748, 19.94, 9.924) [0.4799, 0.9817, 0.4886]\n", + " PeriodicSite: Cl (9.94, 10.19, 20.17) [0.4894, 0.5018, 0.9929]\n", + " PeriodicSite: Cl (10.39, 9.998, 10.3) [0.5113, 0.4922, 0.5069]\n", + " PeriodicSite: Cl (19.59, 4.952, 4.923) [0.9644, 0.2438, 0.2424]\n", + " PeriodicSite: Cl (20.15, 4.97, 14.91) [0.9919, 0.2447, 0.7341]\n", + " PeriodicSite: Cl (0.1881, 15.62, 4.939) [0.009255, 0.7692, 0.2432]\n", + " PeriodicSite: Cl (0.1483, 15.4, 15.22) [0.007296, 0.7583, 0.7494]\n", + " PeriodicSite: Cl (9.94, 5.329, 5.199) [0.4894, 0.2623, 0.2559]\n", + " PeriodicSite: Cl (10.29, 5.425, 15.03) [0.5065, 0.2671, 0.7399]\n", + " PeriodicSite: Cl (9.743, 15.61, 5.302) [0.4797, 0.7684, 0.261]\n", + " PeriodicSite: Cl (10.84, 15.34, 14.47) [0.5337, 0.7554, 0.7122]\n", + " PeriodicSite: S (4.525, 0.1487, 5.242) [0.2228, 0.007317, 0.2581]\n", + " PeriodicSite: S (5.123, 20.21, 15.26) [0.2522, 0.9952, 0.7515]\n", + " PeriodicSite: S (4.871, 10.39, 5.062) [0.2398, 0.5113, 0.2492]\n", + " PeriodicSite: S (5.132, 10.31, 15.46) [0.2527, 0.5075, 0.7609]\n", + " PeriodicSite: S (14.69, 0.1441, 5.259) [0.7231, 0.007089, 0.2589]\n", + " PeriodicSite: S (14.9, 20.23, 15.25) [0.7333, 0.9958, 0.751]\n", + " PeriodicSite: S (15.32, 10.34, 5.26) [0.7542, 0.5089, 0.259]\n", + " PeriodicSite: S (15.7, 10.08, 15.23) [0.7731, 0.496, 0.7499]\n", + " PeriodicSite: S (5.22, 5.105, 19.85) [0.257, 0.2513, 0.9772]\n", + " PeriodicSite: S (5.442, 5.047, 10.52) [0.2679, 0.2484, 0.5178]\n", + " PeriodicSite: S (5.047, 15.68, 0.1388) [0.2485, 0.772, 0.006834]\n", + " PeriodicSite: S (5.127, 15.2, 10.19) [0.2524, 0.7481, 0.5019]\n", + " PeriodicSite: S (15.35, 4.999, 20.19) [0.7557, 0.2461, 0.9938]\n", + " PeriodicSite: S (15.1, 4.867, 10.31) [0.7434, 0.2396, 0.5075]\n", + " PeriodicSite: S (15.3, 14.92, 0.5898) [0.7533, 0.7345, 0.02904]\n", + " PeriodicSite: S (15.28, 15.14, 10.59) [0.7524, 0.7456, 0.5216]\n", + " PeriodicSite: S (8.673, 4.451, 8.7) [0.427, 0.2191, 0.4283]\n", + " PeriodicSite: S (9.029, 3.528, 19.41) [0.4445, 0.1737, 0.9556]\n", + " PeriodicSite: S (9.511, 13.44, 9.015) [0.4682, 0.6617, 0.4438]\n", + " PeriodicSite: S (9.145, 14.41, 19.04) [0.4502, 0.7095, 0.9374]\n", + " PeriodicSite: S (19.19, 3.676, 8.978) [0.9446, 0.181, 0.442]\n", + " PeriodicSite: S (19.16, 3.977, 19.32) [0.9434, 0.1958, 0.9514]\n", + " PeriodicSite: S (18.8, 13.82, 8.863) [0.9256, 0.6803, 0.4363]\n", + " PeriodicSite: S (19.3, 13.87, 18.72) [0.9503, 0.6826, 0.9216]\n", + " PeriodicSite: S (3.81, 1.461, 1.18) [0.1875, 0.07195, 0.0581]\n", + " PeriodicSite: S (4.021, 0.7282, 11.7) [0.198, 0.03585, 0.576]\n", + " PeriodicSite: S (3.597, 11.56, 1.284) [0.1771, 0.5689, 0.06323]\n", + " PeriodicSite: S (4.077, 11.14, 11.67) [0.2007, 0.5486, 0.5743]\n", + " PeriodicSite: S (13.88, 1.152, 1.062) [0.6832, 0.0567, 0.05227]\n", + " PeriodicSite: S (13.83, 1.061, 11.86) [0.6808, 0.05221, 0.5837]\n", + " PeriodicSite: S (14.02, 11.36, 1.541) [0.6901, 0.5591, 0.07589]\n", + " PeriodicSite: S (13.91, 11.28, 11.44) [0.6846, 0.5554, 0.5632]\n", + " PeriodicSite: S (6.188, 1.151, 8.982) [0.3047, 0.05664, 0.4422]\n", + " PeriodicSite: S (6.149, 1.16, 18.99) [0.3027, 0.05709, 0.9348]\n", + " PeriodicSite: S (6.193, 11.6, 8.89) [0.3049, 0.5713, 0.4377]\n", + " PeriodicSite: S (6.027, 11.67, 19.24) [0.2967, 0.5746, 0.9471]\n", + " PeriodicSite: S (16.24, 1.362, 9.376) [0.7993, 0.06706, 0.4616]\n", + " PeriodicSite: S (16.32, 0.6765, 19.02) [0.8035, 0.0333, 0.9364]\n", + " PeriodicSite: S (16.19, 11.5, 8.935) [0.7972, 0.5664, 0.4399]\n", + " PeriodicSite: S (16.37, 11.42, 19.37) [0.8061, 0.5624, 0.9538]\n", + " PeriodicSite: S (1.296, 4.141, 1.313) [0.06381, 0.2039, 0.06462]\n", + " PeriodicSite: S (1.646, 3.757, 11.03) [0.08101, 0.185, 0.543]\n", + " PeriodicSite: S (0.9467, 14.19, 1.053) [0.0466, 0.6985, 0.05184]\n", + " PeriodicSite: S (1.063, 13.67, 11.06) [0.05232, 0.6728, 0.5446]\n", + " PeriodicSite: S (11.65, 3.837, 1.156) [0.5735, 0.1889, 0.0569]\n", + " PeriodicSite: S (10.78, 3.642, 11.12) [0.5308, 0.1793, 0.5477]\n", + " PeriodicSite: S (11.43, 14.32, 1.458) [0.5629, 0.705, 0.0718]\n", + " PeriodicSite: S (11.62, 14.04, 11.58) [0.5722, 0.691, 0.5702]\n", + " PeriodicSite: S (2.456, 2.417, 17.81) [0.1209, 0.119, 0.8769]\n", + " PeriodicSite: S (2.783, 12.58, 7.615) [0.137, 0.6195, 0.3749]\n", + " PeriodicSite: S (12.63, 2.565, 7.588) [0.6219, 0.1263, 0.3736]\n", + " PeriodicSite: S (8.977, 9.031, 3.853) [0.442, 0.4446, 0.1897]\n", + " PeriodicSite: S (9.129, 8.705, 14.18) [0.4495, 0.4285, 0.698]\n", + " PeriodicSite: S (8.332, 19.42, 3.806) [0.4102, 0.956, 0.1874]\n", + " PeriodicSite: S (8.722, 19.23, 13.96) [0.4294, 0.9468, 0.6871]\n", + " PeriodicSite: S (18.88, 9.055, 3.824) [0.9293, 0.4458, 0.1883]\n", + " PeriodicSite: S (19.51, 8.889, 13.78) [0.9604, 0.4376, 0.6786]\n", + " PeriodicSite: S (18.74, 19.02, 3.82) [0.9224, 0.9364, 0.1881]\n", + " PeriodicSite: S (19.19, 19.06, 13.98) [0.9446, 0.9383, 0.6882]\n", + " PeriodicSite: S (3.53, 6.082, 6.408) [0.1738, 0.2994, 0.3155]\n", + " PeriodicSite: S (3.668, 6.332, 16.28) [0.1806, 0.3118, 0.8013]\n", + " PeriodicSite: S (3.899, 16.34, 6.439) [0.192, 0.8042, 0.317]\n", + " PeriodicSite: S (3.479, 16.37, 16.5) [0.1713, 0.8057, 0.8123]\n", + " PeriodicSite: S (14.27, 6.129, 6.507) [0.7028, 0.3017, 0.3204]\n", + " PeriodicSite: S (14.19, 6.201, 16.54) [0.6988, 0.3053, 0.8142]\n", + " PeriodicSite: S (14.21, 16.61, 6.326) [0.6994, 0.8178, 0.3114]\n", + " PeriodicSite: S (14.61, 15.95, 17.05) [0.7193, 0.7851, 0.8396]\n", + " PeriodicSite: S (5.575, 6.426, 3.873) [0.2744, 0.3163, 0.1906]\n", + " PeriodicSite: S (6.47, 6.186, 14.53) [0.3185, 0.3045, 0.7152]\n", + " PeriodicSite: S (6.112, 16.92, 3.951) [0.3009, 0.8331, 0.1945]\n", + " PeriodicSite: S (6.407, 16.48, 14.14) [0.3154, 0.8113, 0.6962]\n", + " PeriodicSite: S (16.41, 5.937, 3.94) [0.8077, 0.2923, 0.194]\n", + " PeriodicSite: S (16.41, 6.121, 14.06) [0.8079, 0.3013, 0.6923]\n", + " PeriodicSite: S (16.57, 16.64, 3.906) [0.816, 0.8191, 0.1923]\n", + " PeriodicSite: S (16.68, 16.62, 14.27) [0.8214, 0.8182, 0.7027]\n", + " PeriodicSite: S (1.2, 9.133, 6.176) [0.05909, 0.4496, 0.3041]\n", + " PeriodicSite: S (1.278, 8.826, 16.4) [0.0629, 0.4345, 0.8074]\n", + " PeriodicSite: S (1.161, 19.04, 5.778) [0.05714, 0.9372, 0.2844]\n", + " PeriodicSite: S (1.181, 19.15, 16.22) [0.05813, 0.9427, 0.7984]\n", + " PeriodicSite: S (11.26, 9.415, 6.285) [0.5542, 0.4635, 0.3094]\n", + " PeriodicSite: S (11.24, 9.003, 16.84) [0.5536, 0.4432, 0.8291]\n", + " PeriodicSite: S (10.92, 19.15, 6.196) [0.5376, 0.9428, 0.305]\n", + " PeriodicSite: S (11.26, 19.3, 16.18) [0.5546, 0.9503, 0.7965]\n", + " PeriodicSite: S (2.157, 17.53, 2.216) [0.1062, 0.8633, 0.1091]\n", + " PeriodicSite: S (2.518, 17.49, 12.9) [0.124, 0.8608, 0.6349]\n", + " PeriodicSite: S (12.86, 7.537, 12.89) [0.6329, 0.3711, 0.6344]\n", + " PeriodicSite: S (12.88, 17.67, 2.769) [0.6341, 0.8701, 0.1363]\n", + " PeriodicSite: S (3.35, 3.914, 4.106) [0.1649, 0.1927, 0.2021]\n", + " PeriodicSite: S (3.636, 3.924, 14.02) [0.179, 0.1932, 0.6901]\n", + " PeriodicSite: S (4.066, 14.3, 3.752) [0.2002, 0.7042, 0.1847]\n", + " PeriodicSite: S (4.113, 14.15, 13.96) [0.2025, 0.6966, 0.6872]\n", + " PeriodicSite: S (13.53, 4.177, 4.119) [0.6662, 0.2056, 0.2028]\n", + " PeriodicSite: S (14.04, 3.713, 14.28) [0.6913, 0.1828, 0.7028]\n", + " PeriodicSite: S (13.94, 14.24, 4.13) [0.6864, 0.7012, 0.2033]\n", + " PeriodicSite: S (14.44, 14.14, 14.29) [0.7107, 0.6959, 0.7035]\n", + " PeriodicSite: S (8.474, 1.353, 6.142) [0.4172, 0.06659, 0.3024]\n", + " PeriodicSite: S (8.666, 1.358, 16.37) [0.4266, 0.06685, 0.8061]\n", + " PeriodicSite: S (8.712, 11.66, 6.038) [0.4289, 0.5743, 0.2972]\n", + " PeriodicSite: S (8.968, 11.37, 16.24) [0.4415, 0.5599, 0.7994]\n", + " PeriodicSite: S (19.3, 1.214, 5.891) [0.9502, 0.05976, 0.29]\n", + " PeriodicSite: S (19.31, 1.248, 16.26) [0.9504, 0.06145, 0.8007]\n", + " PeriodicSite: S (19.23, 11.39, 6.118) [0.9469, 0.5608, 0.3012]\n", + " PeriodicSite: S (19.31, 11.35, 16.32) [0.9505, 0.5589, 0.8037]\n", + " PeriodicSite: S (1.081, 1.08, 3.236) [0.05323, 0.05315, 0.1593]\n", + " PeriodicSite: S (1.425, 1.04, 13.79) [0.07017, 0.05119, 0.6791]\n", + " PeriodicSite: S (1.097, 11.04, 3.513) [0.054, 0.5433, 0.173]\n", + " PeriodicSite: S (1.57, 11.16, 13.91) [0.07728, 0.5495, 0.685]\n", + " PeriodicSite: S (11.18, 1.049, 3.754) [0.5502, 0.05163, 0.1848]\n", + " PeriodicSite: S (11.06, 1.37, 14.01) [0.5447, 0.06743, 0.6899]\n", + " PeriodicSite: S (11.37, 11.74, 3.996) [0.5596, 0.5779, 0.1967]\n", + " PeriodicSite: S (11.53, 11.06, 14.32) [0.5678, 0.5443, 0.7052]\n", + " PeriodicSite: S (6.128, 3.742, 5.992) [0.3017, 0.1842, 0.295]\n", + " PeriodicSite: S (5.79, 3.607, 16.42) [0.2851, 0.1776, 0.8085]\n", + " PeriodicSite: S (6.589, 14.43, 6.23) [0.3244, 0.7106, 0.3067]\n", + " PeriodicSite: S (6.224, 14.29, 16.6) [0.3064, 0.7037, 0.8172]\n", + " PeriodicSite: S (16.23, 3.366, 5.89) [0.7988, 0.1657, 0.29]\n", + " PeriodicSite: S (16.46, 3.71, 16.52) [0.8101, 0.1826, 0.8132]\n", + " PeriodicSite: S (16.6, 14.01, 6.142) [0.8171, 0.6896, 0.3024]\n", + " PeriodicSite: S (17.09, 14.04, 16.42) [0.8412, 0.691, 0.8084]\n", + " PeriodicSite: S (7.499, 2.371, 12.81) [0.3692, 0.1167, 0.6307]\n", + " PeriodicSite: S (7.549, 13.07, 2.616) [0.3716, 0.6435, 0.1288]\n", + " PeriodicSite: S (17.37, 2.185, 2.389) [0.8549, 0.1075, 0.1176]\n", + " PeriodicSite: S (17.86, 12.77, 2.738) [0.8794, 0.6287, 0.1348]\n", + " PeriodicSite: S (18.06, 12.7, 12.77) [0.8889, 0.6253, 0.6285]\n", + " PeriodicSite: S (3.915, 9.174, 8.947) [0.1928, 0.4516, 0.4405]\n", + " PeriodicSite: S (4.069, 8.776, 19.4) [0.2003, 0.432, 0.9549]\n", + " PeriodicSite: S (3.994, 18.94, 9.059) [0.1966, 0.9323, 0.446]\n", + " PeriodicSite: S (3.974, 18.89, 19.31) [0.1956, 0.9301, 0.9507]\n", + " PeriodicSite: S (13.94, 8.687, 9.159) [0.6862, 0.4277, 0.4509]\n", + " PeriodicSite: S (13.94, 9.169, 19.26) [0.6861, 0.4514, 0.9482]\n", + " PeriodicSite: S (14.04, 19.05, 9.338) [0.6913, 0.938, 0.4597]\n", + " PeriodicSite: S (13.77, 18.98, 19.01) [0.6777, 0.9342, 0.9358]\n", + " PeriodicSite: S (9.061, 6.168, 0.8871) [0.4461, 0.3036, 0.04368]\n", + " PeriodicSite: S (8.901, 6.638, 11.12) [0.4382, 0.3268, 0.5475]\n", + " PeriodicSite: S (9.071, 16.84, 0.927) [0.4465, 0.8288, 0.04564]\n", + " PeriodicSite: S (8.934, 16.03, 11.14) [0.4398, 0.7893, 0.5485]\n", + " PeriodicSite: S (19.31, 6.671, 1.287) [0.9508, 0.3284, 0.06338]\n", + " PeriodicSite: S (19.29, 5.831, 11.39) [0.9495, 0.2871, 0.5605]\n", + " PeriodicSite: S (18.71, 16.29, 0.9954) [0.9211, 0.8021, 0.04901]\n", + " PeriodicSite: S (19.29, 16.23, 11.33) [0.9499, 0.7989, 0.5576]\n", + " PeriodicSite: S (1.197, 6.168, 8.944) [0.05895, 0.3037, 0.4403]\n", + " PeriodicSite: S (1.099, 6.418, 18.99) [0.0541, 0.316, 0.9351]\n", + " PeriodicSite: S (0.8523, 15.98, 8.869) [0.04196, 0.7868, 0.4366]\n", + " PeriodicSite: S (0.5554, 16.83, 18.94) [0.02734, 0.8284, 0.9326]\n", + " PeriodicSite: S (11.33, 6.118, 8.97) [0.558, 0.3012, 0.4416]\n", + " PeriodicSite: S (11.24, 5.859, 18.73) [0.5534, 0.2884, 0.9222]\n", + " PeriodicSite: S (11.6, 16.21, 8.739) [0.5713, 0.7978, 0.4302]\n", + " PeriodicSite: S (11.8, 16.6, 19.25) [0.5809, 0.8171, 0.9479]\n", + " PeriodicSite: S (6.071, 9.326, 1.498) [0.2989, 0.4591, 0.07376]\n", + " PeriodicSite: S (6.647, 9.085, 11.04) [0.3273, 0.4472, 0.5437]\n", + " PeriodicSite: S (6.19, 19.46, 1.287) [0.3047, 0.958, 0.06338]\n", + " PeriodicSite: S (6.376, 18.87, 11.37) [0.3139, 0.929, 0.5599]\n", + " PeriodicSite: S (16.4, 9.046, 1.093) [0.8076, 0.4454, 0.0538]\n", + " PeriodicSite: S (16.52, 9.048, 11.22) [0.8135, 0.4454, 0.5524]\n", + " PeriodicSite: S (15.96, 18.78, 1.094) [0.7858, 0.9245, 0.05384]\n", + " PeriodicSite: S (16.35, 19.11, 11.59) [0.8047, 0.9408, 0.5706]\n", + " PeriodicSite: S (7.603, 7.498, 17.86) [0.3743, 0.3691, 0.8795]\n", + " PeriodicSite: S (7.435, 17.79, 7.731) [0.366, 0.8756, 0.3806]\n", + " PeriodicSite: S (17.98, 7.657, 7.775) [0.885, 0.377, 0.3828]\n", + " PeriodicSite: S (17.85, 17.99, 7.498) [0.8789, 0.8856, 0.3692]\n", + " PeriodicSite: P (4.932, 0.1452, 0.07522) [0.2428, 0.007145, 0.003705]\n", + " PeriodicSite: P (5.194, 20.16, 10.21) [0.2557, 0.9923, 0.5024]\n", + " PeriodicSite: P (4.826, 10.43, 0.2212) [0.2376, 0.5133, 0.01089]\n", + " PeriodicSite: P (5.25, 10.3, 10.12) [0.2584, 0.5069, 0.498]\n", + " PeriodicSite: P (15.01, 20.18, 20.17) [0.7389, 0.9937, 0.9929]\n", + " PeriodicSite: P (15.07, 0.05158, 10.61) [0.742, 0.002533, 0.5223]\n", + " PeriodicSite: P (15.12, 10.33, 0.07416) [0.7445, 0.5085, 0.003656]\n", + " PeriodicSite: P (15.09, 10.09, 10.16) [0.7427, 0.4968, 0.5001]\n", + " PeriodicSite: P (4.751, 4.889, 5.083) [0.2339, 0.2407, 0.2503]\n", + " PeriodicSite: P (4.897, 5.029, 15.31) [0.2411, 0.2476, 0.7537]\n", + " PeriodicSite: P (5.184, 15.52, 5.12) [0.2552, 0.764, 0.2521]\n", + " PeriodicSite: P (4.991, 15.3, 15.3) [0.2457, 0.7534, 0.7531]\n", + " PeriodicSite: P (15.14, 4.962, 5.038) [0.7451, 0.2443, 0.248]\n", + " PeriodicSite: P (15.39, 4.991, 15.39) [0.7575, 0.2457, 0.7579]\n", + " PeriodicSite: P (15.35, 15.35, 5.103) [0.7559, 0.7559, 0.2512]\n", + " PeriodicSite: P (15.73, 15.15, 15.56) [0.7743, 0.7461, 0.7658]\n", + " PeriodicSite: P (0.02594, 20.15, 4.574) [0.001269, 0.9923, 0.2252]\n", + " PeriodicSite: P (0.1181, 0.1343, 15.05) [0.00582, 0.006612, 0.741]\n", + " PeriodicSite: P (20.25, 10.19, 4.935) [0.9969, 0.5016, 0.243]\n", + " PeriodicSite: P (0.2495, 10.06, 15.1) [0.01228, 0.4953, 0.7436]\n", + " PeriodicSite: P (9.67, 0.05915, 5.107) [0.4761, 0.002908, 0.2514]\n", + " PeriodicSite: P (9.983, 0.1544, 15.17) [0.4915, 0.0076, 0.7466]\n", + " PeriodicSite: P (10.05, 10.51, 4.956) [0.4948, 0.5173, 0.244]\n", + " PeriodicSite: P (10.2, 10.04, 15.48) [0.5024, 0.4942, 0.7623]\n", + " PeriodicSite: P (0.02058, 5.357, 0.1014) [0.001011, 0.2637, 0.004994]\n", + " PeriodicSite: P (0.1734, 4.832, 10.04) [0.008537, 0.2379, 0.4944]\n", + " PeriodicSite: P (20.05, 15.2, 20.08) [0.9869, 0.7485, 0.9884]\n", + " PeriodicSite: P (20.0, 14.81, 10.05) [0.9847, 0.7289, 0.4949]\n", + " PeriodicSite: P (10.33, 4.836, 20.2) [0.5086, 0.2381, 0.9945]\n", + " PeriodicSite: P (10.03, 5.232, 10.06) [0.4938, 0.2576, 0.4953]\n", + " PeriodicSite: P (10.41, 15.52, 0.0292) [0.5125, 0.7641, 0.001441]\n", + " PeriodicSite: P (10.44, 14.99, 10.17) [0.5139, 0.7381, 0.5006],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.632, 4.924, 3.9) [0.08033, 0.2424, 0.192]\n", + " PeriodicSite: Li (0.983, 3.227, 13.4) [0.0484, 0.1589, 0.6596]\n", + " PeriodicSite: Li (0.1997, 12.24, 7.673) [0.009828, 0.6028, 0.3778]\n", + " PeriodicSite: Li (0.6894, 14.2, 17.02) [0.03394, 0.6991, 0.8378]\n", + " PeriodicSite: Li (14.93, 1.348, 7.321) [0.735, 0.06638, 0.3604]\n", + " PeriodicSite: Li (11.98, 3.105, 15.23) [0.5898, 0.1529, 0.7499]\n", + " PeriodicSite: Li (13.31, 11.59, 4.708) [0.6551, 0.5704, 0.2318]\n", + " PeriodicSite: Li (17.45, 7.893, 15.0) [0.8589, 0.3886, 0.7384]\n", + " PeriodicSite: Li (3.396, 4.935, 8.508) [0.1672, 0.2429, 0.4189]\n", + " PeriodicSite: Li (1.124, 2.845, 19.73) [0.05535, 0.1401, 0.9715]\n", + " PeriodicSite: Li (3.48, 7.964, 4.702) [0.1713, 0.3921, 0.2315]\n", + " PeriodicSite: Li (6.926, 9.936, 17.36) [0.341, 0.4891, 0.8546]\n", + " PeriodicSite: Li (12.2, 5.051, 7.093) [0.6008, 0.2486, 0.3492]\n", + " PeriodicSite: Li (12.66, 1.819, 19.86) [0.6234, 0.08954, 0.9777]\n", + " PeriodicSite: Li (11.75, 9.936, 12.77) [0.5785, 0.4891, 0.6289]\n", + " PeriodicSite: Li (10.11, 18.51, 18.61) [0.498, 0.911, 0.9162]\n", + " PeriodicSite: Li (4.7, 1.929, 7.329) [0.2314, 0.09495, 0.3608]\n", + " PeriodicSite: Li (4.099, 19.32, 13.49) [0.2018, 0.951, 0.664]\n", + " PeriodicSite: Li (3.425, 10.4, 7.367) [0.1686, 0.5121, 0.3627]\n", + " PeriodicSite: Li (6.714, 10.04, 13.35) [0.3306, 0.4941, 0.6575]\n", + " PeriodicSite: Li (12.24, 0.4228, 7.887) [0.6026, 0.02081, 0.3883]\n", + " PeriodicSite: Li (10.34, 1.934, 18.27) [0.5089, 0.09519, 0.8996]\n", + " PeriodicSite: Li (13.35, 15.37, 8.849) [0.6575, 0.7566, 0.4356]\n", + " PeriodicSite: Li (11.93, 10.39, 19.91) [0.5871, 0.5117, 0.9803]\n", + " PeriodicSite: Li (0.2385, 2.768, 6.794) [0.01174, 0.1363, 0.3345]\n", + " PeriodicSite: Li (0.1473, 3.213, 16.84) [0.007256, 0.1582, 0.829]\n", + " PeriodicSite: Li (1.726, 14.92, 6.719) [0.08496, 0.7345, 0.3308]\n", + " PeriodicSite: Li (4.657, 14.02, 18.65) [0.2292, 0.6904, 0.9182]\n", + " PeriodicSite: Li (13.08, 2.366, 5.14) [0.6437, 0.1165, 0.253]\n", + " PeriodicSite: Li (14.41, 1.195, 16.91) [0.7093, 0.05882, 0.8325]\n", + " PeriodicSite: Li (11.64, 12.18, 9.869) [0.5732, 0.5995, 0.4859]\n", + " PeriodicSite: Li (16.45, 16.94, 19.58) [0.81, 0.8338, 0.9641]\n", + " PeriodicSite: Li (5.261, 0.6369, 2.927) [0.259, 0.03135, 0.1441]\n", + " PeriodicSite: Li (20.24, 17.72, 2.195) [0.9966, 0.8723, 0.1081]\n", + " PeriodicSite: Li (2.962, 14.56, 9.987) [0.1458, 0.7167, 0.4917]\n", + " PeriodicSite: Li (2.574, 16.32, 14.78) [0.1267, 0.8033, 0.7278]\n", + " PeriodicSite: Li (14.74, 4.552, 7.881) [0.7255, 0.2241, 0.388]\n", + " PeriodicSite: Li (13.86, 4.646, 18.23) [0.6823, 0.2287, 0.8973]\n", + " PeriodicSite: Li (17.44, 15.6, 8.22) [0.8587, 0.768, 0.4047]\n", + " PeriodicSite: Li (9.993, 11.93, 18.32) [0.492, 0.5873, 0.902]\n", + " PeriodicSite: Li (2.951, 1.964, 4.834) [0.1453, 0.09667, 0.238]\n", + " PeriodicSite: Li (2.059, 0.6199, 18.09) [0.1014, 0.03052, 0.8907]\n", + " PeriodicSite: Li (2.73, 11.88, 5.546) [0.1344, 0.5846, 0.273]\n", + " PeriodicSite: Li (19.07, 13.54, 4.954) [0.9388, 0.6667, 0.2439]\n", + " PeriodicSite: Li (10.24, 2.927, 7.412) [0.5044, 0.1441, 0.3649]\n", + " PeriodicSite: Li (17.35, 0.1029, 16.51) [0.854, 0.00506, 0.8126]\n", + " PeriodicSite: Li (13.83, 9.253, 6.407) [0.6807, 0.4555, 0.3154]\n", + " PeriodicSite: Li (15.41, 8.263, 17.08) [0.7585, 0.4068, 0.8409]\n", + " PeriodicSite: Li (3.788, 12.04, 15.1) [0.1865, 0.5929, 0.7432]\n", + " PeriodicSite: Li (2.442, 11.52, 9.878) [0.1202, 0.5669, 0.4863]\n", + " PeriodicSite: Li (2.098, 15.64, 3.011) [0.1033, 0.7699, 0.1483]\n", + " PeriodicSite: Li (1.992, 1.114, 9.755) [0.09808, 0.05486, 0.4803]\n", + " PeriodicSite: Li (11.39, 5.527, 3.026) [0.5609, 0.2721, 0.149]\n", + " PeriodicSite: Li (12.44, 6.355, 15.06) [0.6123, 0.3129, 0.7415]\n", + " PeriodicSite: Li (10.15, 13.37, 7.279) [0.4999, 0.6582, 0.3583]\n", + " PeriodicSite: Li (13.29, 0.2665, 14.19) [0.6541, 0.01311, 0.6986]\n", + " PeriodicSite: Li (3.561, 7.441, 0.871) [0.1753, 0.3663, 0.04288]\n", + " PeriodicSite: Li (2.795, 5.139, 11.76) [0.1376, 0.253, 0.579]\n", + " PeriodicSite: Li (6.702, 17.01, 20.12) [0.3299, 0.8375, 0.9908]\n", + " PeriodicSite: Li (4.63, 18.76, 16.99) [0.2279, 0.9236, 0.8362]\n", + " PeriodicSite: Li (13.57, 5.104, 1.445) [0.6679, 0.2513, 0.07112]\n", + " PeriodicSite: Li (10.54, 7.29, 12.64) [0.5187, 0.3589, 0.6221]\n", + " PeriodicSite: Li (12.47, 15.74, 4.382) [0.6141, 0.7748, 0.2158]\n", + " PeriodicSite: Li (9.129, 16.66, 13.89) [0.4494, 0.8204, 0.6839]\n", + " PeriodicSite: Li (4.155, 10.76, 17.48) [0.2046, 0.5297, 0.8606]\n", + " PeriodicSite: Li (5.024, 7.499, 10.42) [0.2473, 0.3692, 0.513]\n", + " PeriodicSite: Li (4.768, 17.25, 2.144) [0.2347, 0.8494, 0.1055]\n", + " PeriodicSite: Li (2.003, 17.88, 10.48) [0.0986, 0.8801, 0.5159]\n", + " PeriodicSite: Li (10.26, 8.308, 1.742) [0.5052, 0.409, 0.08579]\n", + " PeriodicSite: Li (14.74, 5.788, 12.42) [0.7259, 0.2849, 0.6113]\n", + " PeriodicSite: Li (10.35, 17.26, 2.832) [0.5097, 0.8497, 0.1394]\n", + " PeriodicSite: Li (13.99, 15.73, 12.25) [0.6886, 0.7743, 0.6032]\n", + " PeriodicSite: Li (0.2171, 8.759, 1.815) [0.01068, 0.4312, 0.08935]\n", + " PeriodicSite: Li (17.25, 4.888, 10.39) [0.8491, 0.2406, 0.5115]\n", + " PeriodicSite: Li (3.211, 18.79, 4.825) [0.1581, 0.925, 0.2376]\n", + " PeriodicSite: Li (0.9241, 18.95, 12.77) [0.04549, 0.9331, 0.6287]\n", + " PeriodicSite: Li (9.369, 7.69, 5.715) [0.4612, 0.3786, 0.2814]\n", + " PeriodicSite: Li (12.84, 10.5, 16.75) [0.6319, 0.5169, 0.8245]\n", + " PeriodicSite: Li (14.52, 16.29, 2.31) [0.7151, 0.8022, 0.1137]\n", + " PeriodicSite: Li (12.71, 15.82, 15.47) [0.6256, 0.7791, 0.7617]\n", + " PeriodicSite: Li (6.191, 9.07, 3.907) [0.3048, 0.4465, 0.1924]\n", + " PeriodicSite: Li (19.95, 11.32, 12.05) [0.9822, 0.5571, 0.5931]\n", + " PeriodicSite: Li (19.08, 17.73, 6.094) [0.9391, 0.8727, 0.3]\n", + " PeriodicSite: Li (7.082, 18.53, 15.32) [0.3486, 0.9124, 0.7542]\n", + " PeriodicSite: Li (17.42, 11.12, 3.93) [0.8576, 0.5474, 0.1935]\n", + " PeriodicSite: Li (13.2, 7.026, 10.55) [0.65, 0.3459, 0.5196]\n", + " PeriodicSite: Li (13.31, 16.84, 20.28) [0.6551, 0.8292, 0.9983]\n", + " PeriodicSite: Li (11.89, 18.11, 10.88) [0.5851, 0.8915, 0.5354]\n", + " PeriodicSite: Li (4.818, 2.719, 18.51) [0.2372, 0.1338, 0.9111]\n", + " PeriodicSite: Li (3.813, 9.52, 14.16) [0.1877, 0.4687, 0.6972]\n", + " PeriodicSite: Li (2.373, 0.02159, 2.409) [0.1168, 0.001062, 0.1186]\n", + " PeriodicSite: Li (1.224, 15.26, 12.85) [0.06025, 0.7511, 0.6324]\n", + " PeriodicSite: Li (14.43, 8.957, 3.204) [0.7106, 0.441, 0.1578]\n", + " PeriodicSite: Li (14.5, 8.759, 13.52) [0.7136, 0.4312, 0.6654]\n", + " PeriodicSite: Li (12.64, 19.53, 4.562) [0.6222, 0.9615, 0.2246]\n", + " PeriodicSite: Li (18.42, 4.3, 14.65) [0.9068, 0.2117, 0.721]\n", + " PeriodicSite: Li (9.881, 2.334, 2.329) [0.4865, 0.1149, 0.1147]\n", + " PeriodicSite: Li (9.543, 1.295, 11.82) [0.4698, 0.06376, 0.5817]\n", + " PeriodicSite: Li (5.374, 12.46, 4.202) [0.2645, 0.6133, 0.2068]\n", + " PeriodicSite: Li (7.354, 12.19, 15.19) [0.3621, 0.5999, 0.748]\n", + " PeriodicSite: Li (17.75, 3.526, 4.61) [0.8741, 0.1736, 0.227]\n", + " PeriodicSite: Li (12.87, 3.572, 9.945) [0.6335, 0.1758, 0.4896]\n", + " PeriodicSite: Li (0.002234, 12.32, 2.251) [0.0001049, 0.6067, 0.1108]\n", + " PeriodicSite: Li (17.62, 10.15, 13.25) [0.8674, 0.4998, 0.6524]\n", + " PeriodicSite: Li (6.359, 19.16, 5.765) [0.3131, 0.9432, 0.2838]\n", + " PeriodicSite: Li (9.262, 4.208, 13.11) [0.456, 0.2072, 0.6455]\n", + " PeriodicSite: Li (7.276, 14.32, 0.1376) [0.3582, 0.7051, 0.006777]\n", + " PeriodicSite: Li (10.14, 13.47, 13.43) [0.4992, 0.663, 0.661]\n", + " PeriodicSite: Li (14.74, 18.77, 3.371) [0.7259, 0.9242, 0.1659]\n", + " PeriodicSite: Li (18.06, 0.251, 12.2) [0.8892, 0.01235, 0.6007]\n", + " PeriodicSite: Li (17.39, 15.11, 2.135) [0.8561, 0.7439, 0.1051]\n", + " PeriodicSite: Li (16.43, 14.5, 12.86) [0.8087, 0.7139, 0.633]\n", + " PeriodicSite: Li (7.561, 4.679, 4.763) [0.3722, 0.2304, 0.2345]\n", + " PeriodicSite: Li (6.704, 0.2864, 13.15) [0.33, 0.0141, 0.6472]\n", + " PeriodicSite: Li (9.616, 13.06, 1.982) [0.4734, 0.6431, 0.09758]\n", + " PeriodicSite: Li (5.534, 13.71, 11.93) [0.2725, 0.6748, 0.5873]\n", + " PeriodicSite: Li (19.71, 2.999, 2.273) [0.9703, 0.1476, 0.1119]\n", + " PeriodicSite: Li (0.8933, 7.483, 11.44) [0.04398, 0.3684, 0.5631]\n", + " PeriodicSite: Li (15.83, 12.89, 1.938) [0.7793, 0.6346, 0.09539]\n", + " PeriodicSite: Li (15.29, 12.05, 13.56) [0.7528, 0.593, 0.6674]\n", + " PeriodicSite: Li (3.212, 20.08, 7.058) [0.1581, 0.9887, 0.3475]\n", + " PeriodicSite: Li (6.647, 2.564, 15.08) [0.3272, 0.1262, 0.7425]\n", + " PeriodicSite: Li (4.66, 13.45, 1.464) [0.2294, 0.6623, 0.0721]\n", + " PeriodicSite: Li (9.367, 6.921, 15.99) [0.4611, 0.3407, 0.787]\n", + " PeriodicSite: Li (17.31, 4.926, 1.668) [0.8523, 0.2425, 0.08214]\n", + " PeriodicSite: Li (15.18, 18.59, 13.63) [0.7475, 0.9153, 0.6708]\n", + " PeriodicSite: Li (13.35, 13.53, 0.1388) [0.6574, 0.6663, 0.006836]\n", + " PeriodicSite: Li (17.28, 13.31, 10.54) [0.8507, 0.6554, 0.5189]\n", + " PeriodicSite: Li (6.614, 4.143, 1.027) [0.3256, 0.204, 0.05059]\n", + " PeriodicSite: Li (5.118, 2.975, 12.13) [0.252, 0.1464, 0.597]\n", + " PeriodicSite: Li (7.172, 11.17, 1.16) [0.3531, 0.5498, 0.05712]\n", + " PeriodicSite: Li (8.203, 11.67, 10.84) [0.4039, 0.5745, 0.5336]\n", + " PeriodicSite: Li (15.12, 1.979, 3.213) [0.7443, 0.09744, 0.1582]\n", + " PeriodicSite: Li (15.42, 2.956, 11.15) [0.7591, 0.1455, 0.5492]\n", + " PeriodicSite: Li (0.3094, 11.72, 18.47) [0.01523, 0.5772, 0.9095]\n", + " PeriodicSite: Li (18.87, 13.45, 14.44) [0.9291, 0.662, 0.7107]\n", + " PeriodicSite: Li (8.086, 1.302, 0.1938) [0.3981, 0.06408, 0.009542]\n", + " PeriodicSite: Li (6.827, 3.015, 10.1) [0.3361, 0.1484, 0.4971]\n", + " PeriodicSite: Li (8.226, 13.83, 4.47) [0.405, 0.6807, 0.2201]\n", + " PeriodicSite: Li (4.829, 16.47, 12.08) [0.2377, 0.8107, 0.5948]\n", + " PeriodicSite: Li (15.99, 2.815, 0.814) [0.7871, 0.1386, 0.04008]\n", + " PeriodicSite: Li (1.78, 6.876, 14.88) [0.08762, 0.3385, 0.7325]\n", + " PeriodicSite: Li (4.549, 13.65, 8.112) [0.224, 0.6718, 0.3994]\n", + " PeriodicSite: Li (14.43, 12.86, 9.614) [0.7106, 0.6332, 0.4733]\n", + " PeriodicSite: Li (15.06, 12.47, 6.96) [0.7413, 0.614, 0.3426]\n", + " PeriodicSite: Li (6.18, 7.872, 16.2) [0.3042, 0.3876, 0.7978]\n", + " PeriodicSite: Li (7.254, 14.76, 9.948) [0.3571, 0.7269, 0.4898]\n", + " PeriodicSite: Li (1.584, 18.6, 0.09715) [0.07796, 0.9158, 0.004785]\n", + " PeriodicSite: Li (17.09, 9.967, 7.295) [0.8416, 0.4907, 0.3591]\n", + " PeriodicSite: Li (3.262, 5.015, 18.06) [0.1606, 0.2469, 0.889]\n", + " PeriodicSite: Li (17.32, 0.5902, 3.677) [0.8528, 0.02905, 0.181]\n", + " PeriodicSite: Li (19.53, 19.38, 18.17) [0.9617, 0.9539, 0.8946]\n", + " PeriodicSite: Li (6.971, 9.994, 6.872) [0.3432, 0.492, 0.3383]\n", + " PeriodicSite: Li (7.378, 5.391, 18.74) [0.3632, 0.2654, 0.9227]\n", + " PeriodicSite: Li (8.459, 0.05912, 8.423) [0.4164, 0.002907, 0.4147]\n", + " PeriodicSite: Li (7.993, 15.74, 17.46) [0.3935, 0.7751, 0.8595]\n", + " PeriodicSite: Li (18.13, 7.641, 10.07) [0.8926, 0.3762, 0.4957]\n", + " PeriodicSite: Li (17.97, 9.058, 19.56) [0.8848, 0.4459, 0.9631]\n", + " PeriodicSite: Li (17.63, 20.21, 7.449) [0.8678, 0.9949, 0.3667]\n", + " PeriodicSite: Li (18.73, 16.9, 15.77) [0.9222, 0.8318, 0.7762]\n", + " PeriodicSite: Li (6.698, 5.592, 8.163) [0.3297, 0.2753, 0.4019]\n", + " PeriodicSite: Li (3.259, 1.902, 15.29) [0.1605, 0.09365, 0.7526]\n", + " PeriodicSite: Li (8.212, 18.22, 9.872) [0.4043, 0.8971, 0.486]\n", + " PeriodicSite: Li (17.14, 11.05, 16.39) [0.8437, 0.5438, 0.807]\n", + " PeriodicSite: Li (20.08, 9.056, 8.047) [0.9884, 0.4458, 0.3962]\n", + " PeriodicSite: Li (17.18, 5.638, 18.65) [0.8456, 0.2776, 0.9182]\n", + " PeriodicSite: Li (15.85, 17.2, 9.981) [0.7802, 0.847, 0.4914]\n", + " PeriodicSite: Li (15.67, 14.1, 18.46) [0.7712, 0.6942, 0.9086]\n", + " PeriodicSite: Li (9.802, 8.402, 8.914) [0.4826, 0.4136, 0.4388]\n", + " PeriodicSite: Li (3.486, 3.995, 0.778) [0.1716, 0.1967, 0.0383]\n", + " PeriodicSite: Li (5.394, 17.21, 8.409) [0.2655, 0.8473, 0.414]\n", + " PeriodicSite: Li (7.355, 15.45, 2.267) [0.3621, 0.7606, 0.1116]\n", + " PeriodicSite: Li (16.13, 6.767, 8.222) [0.7939, 0.3331, 0.4048]\n", + " PeriodicSite: Li (20.15, 7.58, 17.74) [0.9921, 0.3732, 0.8732]\n", + " PeriodicSite: Li (15.21, 18.31, 6.751) [0.7488, 0.9017, 0.3324]\n", + " PeriodicSite: Li (15.04, 18.47, 17.17) [0.7405, 0.9092, 0.8451]\n", + " PeriodicSite: Li (6.673, 4.946, 11.94) [0.3285, 0.2435, 0.5879]\n", + " PeriodicSite: Li (5.688, 7.366, 19.37) [0.28, 0.3626, 0.9537]\n", + " PeriodicSite: Li (7.995, 17.09, 5.707) [0.3936, 0.8413, 0.281]\n", + " PeriodicSite: Li (11.96, 19.61, 1.44) [0.5888, 0.9656, 0.07092]\n", + " PeriodicSite: Li (18.12, 7.465, 5.374) [0.8919, 0.3675, 0.2645]\n", + " PeriodicSite: Li (14.46, 7.174, 0.1071) [0.7119, 0.3532, 0.005275]\n", + " PeriodicSite: Li (19.05, 18.04, 9.857) [0.9381, 0.8882, 0.4853]\n", + " PeriodicSite: Li (18.25, 0.4371, 0.8656) [0.8985, 0.02151, 0.04262]\n", + " PeriodicSite: Li (3.483, 10.27, 3.036) [0.1715, 0.5057, 0.1495]\n", + " PeriodicSite: Li (10.06, 7.956, 18.52) [0.4953, 0.3917, 0.9119]\n", + " PeriodicSite: Li (9.566, 17.1, 7.449) [0.4709, 0.842, 0.3667]\n", + " PeriodicSite: Li (6.829, 0.08143, 17.25) [0.3362, 0.004007, 0.8492]\n", + " PeriodicSite: Li (19.71, 5.78, 7.478) [0.9702, 0.2846, 0.3681]\n", + " PeriodicSite: Li (18.21, 12.05, 0.3744) [0.8967, 0.5933, 0.01844]\n", + " PeriodicSite: Li (3.032, 16.02, 20.25) [0.1493, 0.7887, 0.9967]\n", + " PeriodicSite: Li (15.88, 1.437, 13.66) [0.7817, 0.07074, 0.6724]\n", + " PeriodicSite: Cl (7.669, 12.54, 12.81) [0.3775, 0.6174, 0.6309]\n", + " PeriodicSite: Cl (2.382, 12.88, 17.1) [0.1173, 0.6341, 0.842]\n", + " PeriodicSite: Cl (12.86, 17.81, 13.11) [0.6331, 0.8767, 0.6456]\n", + " PeriodicSite: Cl (17.77, 7.592, 17.6) [0.8746, 0.3738, 0.8666]\n", + " PeriodicSite: Cl (7.69, 2.423, 2.218) [0.3786, 0.1193, 0.1092]\n", + " PeriodicSite: Cl (7.906, 7.647, 7.359) [0.3892, 0.3765, 0.3623]\n", + " PeriodicSite: Cl (12.64, 13.22, 7.901) [0.6221, 0.6507, 0.389]\n", + " PeriodicSite: Cl (2.273, 7.78, 2.69) [0.1119, 0.383, 0.1325]\n", + " PeriodicSite: Cl (2.813, 7.41, 12.73) [0.1385, 0.3648, 0.6269]\n", + " PeriodicSite: Cl (12.32, 12.36, 18.58) [0.6068, 0.6083, 0.9148]\n", + " PeriodicSite: Cl (17.69, 18.17, 17.57) [0.871, 0.8947, 0.865]\n", + " PeriodicSite: Cl (2.464, 2.143, 7.643) [0.1213, 0.1055, 0.3763]\n", + " PeriodicSite: Cl (12.61, 2.288, 17.47) [0.6208, 0.1126, 0.8602]\n", + " PeriodicSite: Cl (13.07, 7.647, 2.058) [0.6437, 0.3765, 0.1013]\n", + " PeriodicSite: Cl (17.49, 2.645, 12.44) [0.8609, 0.1302, 0.6125]\n", + " PeriodicSite: Cl (7.381, 18.04, 17.78) [0.3634, 0.8882, 0.8753]\n", + " PeriodicSite: Cl (0.2619, 0.341, 19.77) [0.0129, 0.01679, 0.9735]\n", + " PeriodicSite: Cl (0.2399, 19.82, 10.84) [0.01181, 0.9758, 0.5336]\n", + " PeriodicSite: Cl (19.97, 10.43, 0.1303) [0.9831, 0.5134, 0.006423]\n", + " PeriodicSite: Cl (20.28, 9.801, 10.32) [0.9983, 0.4825, 0.5079]\n", + " PeriodicSite: Cl (10.7, 0.3886, 20.16) [0.5267, 0.01913, 0.9927]\n", + " PeriodicSite: Cl (10.02, 19.78, 10.31) [0.4931, 0.9738, 0.5073]\n", + " PeriodicSite: Cl (9.734, 9.981, 0.2099) [0.4792, 0.4914, 0.01034]\n", + " PeriodicSite: Cl (10.15, 10.42, 10.44) [0.4997, 0.5131, 0.514]\n", + " PeriodicSite: Cl (20.22, 4.676, 5.529) [0.9952, 0.2302, 0.2722]\n", + " PeriodicSite: Cl (0.2297, 4.757, 15.09) [0.01131, 0.2342, 0.7428]\n", + " PeriodicSite: Cl (0.08636, 15.46, 5.401) [0.004246, 0.761, 0.2659]\n", + " PeriodicSite: Cl (20.3, 15.21, 14.84) [0.9996, 0.7488, 0.7305]\n", + " PeriodicSite: Cl (10.2, 5.184, 4.78) [0.502, 0.2552, 0.2353]\n", + " PeriodicSite: Cl (10.7, 4.994, 14.68) [0.5268, 0.2459, 0.7227]\n", + " PeriodicSite: Cl (10.08, 15.58, 5.062) [0.4961, 0.767, 0.2492]\n", + " PeriodicSite: Cl (10.39, 15.3, 15.19) [0.5113, 0.7531, 0.7479]\n", + " PeriodicSite: S (4.549, 0.3425, 5.071) [0.224, 0.01686, 0.2496]\n", + " PeriodicSite: S (5.254, 0.04009, 15.36) [0.2587, 0.001973, 0.7562]\n", + " PeriodicSite: S (4.868, 10.27, 5.185) [0.2396, 0.5057, 0.2553]\n", + " PeriodicSite: S (5.646, 10.38, 15.36) [0.2779, 0.5112, 0.7561]\n", + " PeriodicSite: S (14.86, 0.1232, 4.939) [0.7314, 0.006058, 0.2432]\n", + " PeriodicSite: S (15.24, 20.03, 15.42) [0.7503, 0.9863, 0.7593]\n", + " PeriodicSite: S (15.34, 10.49, 5.259) [0.7551, 0.5164, 0.2589]\n", + " PeriodicSite: S (15.8, 9.803, 15.25) [0.778, 0.4826, 0.7509]\n", + " PeriodicSite: S (5.121, 5.204, 20.16) [0.2521, 0.2562, 0.9926]\n", + " PeriodicSite: S (4.987, 5.17, 10.28) [0.2455, 0.2545, 0.5059]\n", + " PeriodicSite: S (5.125, 15.42, 0.2388) [0.2523, 0.7593, 0.01176]\n", + " PeriodicSite: S (5.077, 15.23, 9.895) [0.2499, 0.7498, 0.4871]\n", + " PeriodicSite: S (15.51, 4.962, 0.1968) [0.7636, 0.2443, 0.009694]\n", + " PeriodicSite: S (14.92, 5.187, 10.15) [0.7344, 0.2554, 0.4996]\n", + " PeriodicSite: S (15.14, 15.04, 0.2029) [0.7455, 0.7405, 0.009997]\n", + " PeriodicSite: S (15.42, 14.97, 10.1) [0.7593, 0.7372, 0.4971]\n", + " PeriodicSite: S (8.78, 4.061, 8.644) [0.4322, 0.1999, 0.4256]\n", + " PeriodicSite: S (8.854, 3.554, 19.34) [0.4359, 0.1749, 0.9523]\n", + " PeriodicSite: S (9.096, 13.72, 9.186) [0.4478, 0.6754, 0.4522]\n", + " PeriodicSite: S (8.915, 14.32, 18.99) [0.4389, 0.705, 0.935]\n", + " PeriodicSite: S (19.46, 3.656, 8.678) [0.958, 0.18, 0.4272]\n", + " PeriodicSite: S (19.12, 4.012, 19.3) [0.9414, 0.1975, 0.9499]\n", + " PeriodicSite: S (18.94, 13.84, 8.782) [0.9323, 0.6812, 0.4323]\n", + " PeriodicSite: S (19.4, 13.83, 18.94) [0.9549, 0.681, 0.9327]\n", + " PeriodicSite: S (3.93, 1.253, 1.093) [0.1935, 0.06168, 0.05381]\n", + " PeriodicSite: S (3.755, 0.8936, 11.68) [0.1848, 0.04399, 0.5749]\n", + " PeriodicSite: S (3.349, 11.37, 0.9169) [0.1649, 0.5599, 0.04514]\n", + " PeriodicSite: S (4.237, 11.45, 11.69) [0.2086, 0.5638, 0.5756]\n", + " PeriodicSite: S (14.17, 0.837, 1.522) [0.6974, 0.0412, 0.07491]\n", + " PeriodicSite: S (14.08, 1.025, 11.63) [0.6931, 0.05046, 0.5726]\n", + " PeriodicSite: S (14.18, 11.27, 1.254) [0.6979, 0.5548, 0.06173]\n", + " PeriodicSite: S (13.77, 11.05, 11.45) [0.6781, 0.5441, 0.5638]\n", + " PeriodicSite: S (6.065, 0.9311, 8.997) [0.2986, 0.04584, 0.4429]\n", + " PeriodicSite: S (6.248, 0.936, 19.1) [0.3076, 0.04608, 0.9403]\n", + " PeriodicSite: S (6.216, 11.96, 9.158) [0.306, 0.5887, 0.4509]\n", + " PeriodicSite: S (6.051, 11.44, 19.29) [0.2979, 0.563, 0.9498]\n", + " PeriodicSite: S (16.48, 1.101, 9.243) [0.8111, 0.05417, 0.455]\n", + " PeriodicSite: S (16.47, 0.9867, 19.41) [0.811, 0.04857, 0.9554]\n", + " PeriodicSite: S (16.26, 11.21, 9.116) [0.8007, 0.552, 0.4488]\n", + " PeriodicSite: S (16.42, 11.38, 18.96) [0.8086, 0.5602, 0.9337]\n", + " PeriodicSite: S (1.194, 4.153, 1.289) [0.05877, 0.2045, 0.06345]\n", + " PeriodicSite: S (1.215, 3.331, 11.17) [0.05983, 0.164, 0.5497]\n", + " PeriodicSite: S (1.338, 14.46, 1.023) [0.06587, 0.7119, 0.05038]\n", + " PeriodicSite: S (1.061, 13.51, 10.96) [0.05221, 0.6651, 0.5395]\n", + " PeriodicSite: S (11.63, 3.449, 0.8806) [0.5724, 0.1698, 0.04335]\n", + " PeriodicSite: S (11.0, 3.736, 11.16) [0.5414, 0.1839, 0.5495]\n", + " PeriodicSite: S (11.19, 14.49, 1.413) [0.5508, 0.7132, 0.06958]\n", + " PeriodicSite: S (11.62, 14.12, 11.41) [0.5722, 0.695, 0.5618]\n", + " PeriodicSite: S (2.262, 2.941, 17.67) [0.1114, 0.1448, 0.8701]\n", + " PeriodicSite: S (2.379, 12.79, 7.619) [0.1171, 0.6298, 0.3751]\n", + " PeriodicSite: S (12.77, 2.587, 7.604) [0.6286, 0.1274, 0.3744]\n", + " PeriodicSite: S (9.166, 8.967, 3.84) [0.4512, 0.4415, 0.1891]\n", + " PeriodicSite: S (8.898, 9.2, 14.14) [0.4381, 0.4529, 0.6959]\n", + " PeriodicSite: S (8.246, 19.39, 4.063) [0.4059, 0.9548, 0.2]\n", + " PeriodicSite: S (8.796, 19.28, 13.95) [0.433, 0.949, 0.6869]\n", + " PeriodicSite: S (19.24, 9.146, 3.745) [0.9471, 0.4502, 0.1844]\n", + " PeriodicSite: S (19.56, 8.691, 14.06) [0.9628, 0.4279, 0.6924]\n", + " PeriodicSite: S (18.88, 19.12, 3.625) [0.9294, 0.9414, 0.1785]\n", + " PeriodicSite: S (19.08, 19.28, 14.13) [0.9393, 0.9492, 0.6957]\n", + " PeriodicSite: S (3.054, 5.893, 6.019) [0.1503, 0.2901, 0.2963]\n", + " PeriodicSite: S (3.781, 6.637, 16.3) [0.1861, 0.3268, 0.8026]\n", + " PeriodicSite: S (3.965, 16.82, 6.379) [0.1952, 0.8279, 0.3141]\n", + " PeriodicSite: S (4.196, 16.44, 16.38) [0.2066, 0.8093, 0.8062]\n", + " PeriodicSite: S (14.19, 6.416, 6.384) [0.6985, 0.3159, 0.3143]\n", + " PeriodicSite: S (14.34, 6.23, 16.48) [0.7062, 0.3067, 0.8111]\n", + " PeriodicSite: S (14.09, 16.32, 6.404) [0.6937, 0.8033, 0.3153]\n", + " PeriodicSite: S (14.61, 16.29, 16.79) [0.7192, 0.8021, 0.8266]\n", + " PeriodicSite: S (5.911, 6.256, 3.706) [0.291, 0.308, 0.1824]\n", + " PeriodicSite: S (6.316, 6.496, 14.23) [0.3109, 0.3198, 0.7006]\n", + " PeriodicSite: S (6.17, 16.96, 4.069) [0.3037, 0.8349, 0.2003]\n", + " PeriodicSite: S (6.707, 16.27, 14.17) [0.3302, 0.801, 0.6976]\n", + " PeriodicSite: S (16.43, 6.234, 3.991) [0.8091, 0.3069, 0.1965]\n", + " PeriodicSite: S (16.67, 5.887, 13.95) [0.8205, 0.2898, 0.6867]\n", + " PeriodicSite: S (16.19, 16.71, 3.973) [0.797, 0.8225, 0.1956]\n", + " PeriodicSite: S (16.72, 16.65, 14.3) [0.823, 0.8198, 0.7042]\n", + " PeriodicSite: S (1.201, 8.818, 6.232) [0.0591, 0.4341, 0.3068]\n", + " PeriodicSite: S (1.564, 8.848, 16.54) [0.07698, 0.4356, 0.8144]\n", + " PeriodicSite: S (0.8825, 19.34, 6.058) [0.04344, 0.9523, 0.2982]\n", + " PeriodicSite: S (0.9621, 19.29, 16.62) [0.04736, 0.9496, 0.8182]\n", + " PeriodicSite: S (11.17, 9.345, 6.429) [0.5499, 0.4601, 0.3165]\n", + " PeriodicSite: S (11.08, 8.828, 16.64) [0.5454, 0.4346, 0.8194]\n", + " PeriodicSite: S (10.8, 19.18, 6.313) [0.5314, 0.9443, 0.3108]\n", + " PeriodicSite: S (11.34, 19.39, 16.24) [0.5584, 0.9546, 0.7997]\n", + " PeriodicSite: S (2.425, 17.93, 2.415) [0.1194, 0.8828, 0.1189]\n", + " PeriodicSite: S (2.532, 17.24, 12.65) [0.1247, 0.8485, 0.6227]\n", + " PeriodicSite: S (12.67, 7.534, 12.81) [0.6237, 0.3709, 0.6309]\n", + " PeriodicSite: S (12.72, 17.72, 2.841) [0.6263, 0.8723, 0.1399]\n", + " PeriodicSite: S (3.544, 3.988, 3.51) [0.1745, 0.1963, 0.1728]\n", + " PeriodicSite: S (3.901, 4.043, 13.93) [0.192, 0.1991, 0.6858]\n", + " PeriodicSite: S (3.88, 14.24, 3.834) [0.191, 0.7012, 0.1887]\n", + " PeriodicSite: S (4.084, 14.16, 13.99) [0.2011, 0.6973, 0.6888]\n", + " PeriodicSite: S (13.88, 4.099, 3.681) [0.6832, 0.2018, 0.1812]\n", + " PeriodicSite: S (13.91, 3.982, 14.05) [0.6847, 0.196, 0.6919]\n", + " PeriodicSite: S (14.23, 14.02, 3.947) [0.7007, 0.6904, 0.1943]\n", + " PeriodicSite: S (14.29, 14.2, 14.5) [0.7035, 0.6991, 0.7139]\n", + " PeriodicSite: S (8.817, 1.669, 6.212) [0.4341, 0.08215, 0.3058]\n", + " PeriodicSite: S (8.705, 1.211, 16.55) [0.4286, 0.05964, 0.8148]\n", + " PeriodicSite: S (8.905, 11.7, 6.135) [0.4384, 0.5762, 0.302]\n", + " PeriodicSite: S (8.825, 11.33, 16.69) [0.4345, 0.5578, 0.8218]\n", + " PeriodicSite: S (18.68, 1.095, 5.839) [0.9198, 0.05391, 0.2875]\n", + " PeriodicSite: S (19.18, 1.554, 16.22) [0.9441, 0.07648, 0.7985]\n", + " PeriodicSite: S (19.21, 11.32, 6.025) [0.9455, 0.5571, 0.2966]\n", + " PeriodicSite: S (19.54, 11.25, 16.17) [0.9621, 0.5539, 0.7963]\n", + " PeriodicSite: S (0.8566, 1.449, 3.615) [0.04217, 0.07133, 0.1779]\n", + " PeriodicSite: S (1.512, 0.8752, 14.11) [0.07446, 0.04309, 0.6948]\n", + " PeriodicSite: S (1.312, 11.41, 3.945) [0.06459, 0.5617, 0.1942]\n", + " PeriodicSite: S (1.763, 10.99, 13.9) [0.08681, 0.5411, 0.6841]\n", + " PeriodicSite: S (11.02, 0.7827, 3.698) [0.5423, 0.03853, 0.182]\n", + " PeriodicSite: S (10.9, 1.464, 13.93) [0.5368, 0.07209, 0.686]\n", + " PeriodicSite: S (11.18, 11.7, 3.749) [0.5502, 0.5759, 0.1846]\n", + " PeriodicSite: S (11.55, 11.37, 14.68) [0.5684, 0.5599, 0.7228]\n", + " PeriodicSite: S (5.792, 4.259, 6.24) [0.2851, 0.2097, 0.3072]\n", + " PeriodicSite: S (5.954, 4.066, 16.7) [0.2931, 0.2002, 0.8222]\n", + " PeriodicSite: S (6.021, 13.98, 6.028) [0.2964, 0.6882, 0.2968]\n", + " PeriodicSite: S (6.259, 13.86, 16.78) [0.3082, 0.6824, 0.8262]\n", + " PeriodicSite: S (16.09, 3.708, 6.136) [0.7919, 0.1825, 0.3021]\n", + " PeriodicSite: S (16.35, 3.761, 16.46) [0.805, 0.1852, 0.8105]\n", + " PeriodicSite: S (16.71, 14.2, 6.321) [0.8225, 0.699, 0.3112]\n", + " PeriodicSite: S (17.09, 14.12, 16.58) [0.8413, 0.6953, 0.8164]\n", + " PeriodicSite: S (7.351, 2.78, 12.56) [0.3619, 0.1368, 0.6183]\n", + " PeriodicSite: S (7.331, 13.18, 2.261) [0.3609, 0.6487, 0.1113]\n", + " PeriodicSite: S (17.49, 2.56, 2.51) [0.861, 0.126, 0.1236]\n", + " PeriodicSite: S (18.17, 12.94, 2.517) [0.8945, 0.637, 0.1239]\n", + " PeriodicSite: S (17.62, 12.38, 12.8) [0.8675, 0.6095, 0.6299]\n", + " PeriodicSite: S (3.891, 9.319, 9.329) [0.1915, 0.4588, 0.4593]\n", + " PeriodicSite: S (3.884, 8.928, 19.19) [0.1912, 0.4395, 0.9447]\n", + " PeriodicSite: S (3.628, 19.07, 9.46) [0.1786, 0.9389, 0.4657]\n", + " PeriodicSite: S (3.835, 18.96, 19.1) [0.1888, 0.9332, 0.9401]\n", + " PeriodicSite: S (13.94, 8.715, 8.885) [0.6863, 0.4291, 0.4374]\n", + " PeriodicSite: S (13.99, 9.116, 19.02) [0.6886, 0.4488, 0.9363]\n", + " PeriodicSite: S (13.84, 19.14, 9.109) [0.6814, 0.9421, 0.4485]\n", + " PeriodicSite: S (13.85, 19.16, 19.2) [0.682, 0.9431, 0.9455]\n", + " PeriodicSite: S (9.605, 5.898, 1.215) [0.4729, 0.2904, 0.05982]\n", + " PeriodicSite: S (8.769, 6.268, 11.19) [0.4317, 0.3086, 0.5511]\n", + " PeriodicSite: S (8.935, 16.78, 0.776) [0.4399, 0.826, 0.03821]\n", + " PeriodicSite: S (8.884, 16.27, 11.48) [0.4374, 0.8011, 0.5653]\n", + " PeriodicSite: S (19.02, 6.528, 0.9387) [0.9362, 0.3214, 0.04622]\n", + " PeriodicSite: S (19.32, 5.783, 11.46) [0.9512, 0.2847, 0.564]\n", + " PeriodicSite: S (18.79, 16.55, 0.4644) [0.9252, 0.8147, 0.02287]\n", + " PeriodicSite: S (19.09, 16.07, 11.17) [0.94, 0.7913, 0.5501]\n", + " PeriodicSite: S (1.298, 6.06, 9.14) [0.06392, 0.2984, 0.45]\n", + " PeriodicSite: S (1.497, 6.402, 19.18) [0.07372, 0.3152, 0.9443]\n", + " PeriodicSite: S (1.201, 16.06, 8.864) [0.05914, 0.7907, 0.4364]\n", + " PeriodicSite: S (1.294, 16.33, 18.67) [0.06369, 0.8038, 0.9193]\n", + " PeriodicSite: S (11.11, 6.331, 8.891) [0.5469, 0.3117, 0.4377]\n", + " PeriodicSite: S (11.45, 5.814, 18.74) [0.5637, 0.2862, 0.9225]\n", + " PeriodicSite: S (11.19, 16.59, 9.158) [0.5509, 0.8167, 0.4509]\n", + " PeriodicSite: S (11.34, 16.38, 18.91) [0.5585, 0.8066, 0.931]\n", + " PeriodicSite: S (6.079, 9.323, 1.334) [0.2993, 0.459, 0.06566]\n", + " PeriodicSite: S (6.83, 9.143, 10.86) [0.3363, 0.4501, 0.5346]\n", + " PeriodicSite: S (6.266, 19.11, 1.212) [0.3085, 0.9409, 0.05969]\n", + " PeriodicSite: S (6.282, 18.65, 11.35) [0.3093, 0.9183, 0.5585]\n", + " PeriodicSite: S (16.47, 8.906, 0.9795) [0.811, 0.4385, 0.04823]\n", + " PeriodicSite: S (16.26, 8.743, 11.53) [0.8004, 0.4304, 0.5678]\n", + " PeriodicSite: S (16.48, 18.68, 1.102) [0.8115, 0.9194, 0.05424]\n", + " PeriodicSite: S (16.28, 18.86, 11.5) [0.8012, 0.9286, 0.5661]\n", + " PeriodicSite: S (7.54, 7.603, 17.99) [0.3712, 0.3743, 0.8858]\n", + " PeriodicSite: S (7.517, 17.93, 7.729) [0.3701, 0.8828, 0.3805]\n", + " PeriodicSite: S (18.1, 7.745, 7.736) [0.8909, 0.3813, 0.3808]\n", + " PeriodicSite: S (17.39, 17.93, 8.056) [0.8562, 0.8828, 0.3966]\n", + " PeriodicSite: P (4.984, 20.14, 0.02903) [0.2454, 0.9915, 0.001432]\n", + " PeriodicSite: P (5.055, 20.05, 10.47) [0.2489, 0.9871, 0.5153]\n", + " PeriodicSite: P (4.785, 10.31, 0.03337) [0.2356, 0.5075, 0.001645]\n", + " PeriodicSite: P (5.286, 10.38, 10.31) [0.2602, 0.5112, 0.5074]\n", + " PeriodicSite: P (15.3, 19.92, 0.1694) [0.7532, 0.9808, 0.008346]\n", + " PeriodicSite: P (15.17, 20.22, 10.25) [0.7467, 0.9956, 0.5045]\n", + " PeriodicSite: P (15.25, 10.18, 20.26) [0.7508, 0.5012, 0.9976]\n", + " PeriodicSite: P (14.96, 9.908, 10.16) [0.7364, 0.4878, 0.5003]\n", + " PeriodicSite: P (4.554, 5.25, 4.947) [0.2242, 0.2585, 0.2436]\n", + " PeriodicSite: P (4.94, 5.272, 15.26) [0.2432, 0.2595, 0.7515]\n", + " PeriodicSite: P (5.003, 15.53, 5.075) [0.2463, 0.7643, 0.2498]\n", + " PeriodicSite: P (5.387, 15.21, 15.36) [0.2652, 0.749, 0.7562]\n", + " PeriodicSite: P (15.1, 5.128, 5.122) [0.7434, 0.2525, 0.2522]\n", + " PeriodicSite: P (15.26, 4.87, 15.22) [0.7511, 0.2397, 0.7494]\n", + " PeriodicSite: P (15.45, 15.3, 5.177) [0.7604, 0.7532, 0.2549]\n", + " PeriodicSite: P (15.81, 15.34, 15.5) [0.7785, 0.7552, 0.7632]\n", + " PeriodicSite: P (20.0, 0.06629, 4.76) [0.9848, 0.003255, 0.2343]\n", + " PeriodicSite: P (0.03254, 0.03597, 15.25) [0.001606, 0.001772, 0.7508]\n", + " PeriodicSite: P (0.1417, 10.03, 4.962) [0.006974, 0.494, 0.2443]\n", + " PeriodicSite: P (0.444, 10.02, 15.22) [0.02186, 0.4931, 0.7491]\n", + " PeriodicSite: P (9.67, 0.1729, 5.069) [0.4761, 0.008509, 0.2496]\n", + " PeriodicSite: P (9.887, 0.143, 15.29) [0.4867, 0.007039, 0.7529]\n", + " PeriodicSite: P (10.21, 10.44, 5.018) [0.5026, 0.5142, 0.247]\n", + " PeriodicSite: P (9.99, 10.17, 15.43) [0.4918, 0.5006, 0.7596]\n", + " PeriodicSite: P (0.05361, 5.338, 20.27) [0.002643, 0.2628, 0.9979]\n", + " PeriodicSite: P (0.08668, 4.669, 10.09) [0.004268, 0.2299, 0.4967]\n", + " PeriodicSite: P (20.31, 15.46, 20.04) [0.9997, 0.7612, 0.9864]\n", + " PeriodicSite: P (20.21, 14.9, 9.939) [0.995, 0.7335, 0.4893]\n", + " PeriodicSite: P (10.4, 4.749, 20.16) [0.5118, 0.2338, 0.9924]\n", + " PeriodicSite: P (9.92, 4.963, 10.03) [0.4884, 0.2443, 0.4937]\n", + " PeriodicSite: P (10.23, 15.37, 20.21) [0.5038, 0.7566, 0.9948]\n", + " PeriodicSite: P (10.22, 15.13, 10.33) [0.5031, 0.7449, 0.5084],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.53, 5.887, 3.559) [0.07531, 0.2898, 0.1752]\n", + " PeriodicSite: Li (1.566, 3.504, 13.74) [0.0771, 0.1725, 0.6762]\n", + " PeriodicSite: Li (0.3102, 12.43, 7.073) [0.01527, 0.6118, 0.3482]\n", + " PeriodicSite: Li (0.5286, 14.08, 17.03) [0.02602, 0.6934, 0.8383]\n", + " PeriodicSite: Li (14.98, 1.997, 7.034) [0.7373, 0.0983, 0.3463]\n", + " PeriodicSite: Li (12.08, 3.507, 15.52) [0.5948, 0.1726, 0.7641]\n", + " PeriodicSite: Li (13.66, 11.65, 4.564) [0.6727, 0.5735, 0.2247]\n", + " PeriodicSite: Li (17.25, 8.048, 15.43) [0.8491, 0.3962, 0.7597]\n", + " PeriodicSite: Li (3.498, 4.515, 8.223) [0.1722, 0.2223, 0.4048]\n", + " PeriodicSite: Li (1.193, 2.668, 19.82) [0.05874, 0.1314, 0.9756]\n", + " PeriodicSite: Li (3.116, 8.444, 5.16) [0.1534, 0.4157, 0.254]\n", + " PeriodicSite: Li (6.848, 10.08, 17.38) [0.3371, 0.4963, 0.8559]\n", + " PeriodicSite: Li (11.95, 4.746, 6.653) [0.5886, 0.2336, 0.3275]\n", + " PeriodicSite: Li (12.56, 0.8501, 19.34) [0.6184, 0.04185, 0.9519]\n", + " PeriodicSite: Li (11.68, 9.979, 12.61) [0.5751, 0.4913, 0.6208]\n", + " PeriodicSite: Li (9.798, 18.64, 18.32) [0.4823, 0.9176, 0.9021]\n", + " PeriodicSite: Li (6.27, 1.71, 6.178) [0.3087, 0.0842, 0.3042]\n", + " PeriodicSite: Li (3.918, 19.76, 13.43) [0.1929, 0.973, 0.6613]\n", + " PeriodicSite: Li (2.948, 10.44, 7.473) [0.1451, 0.514, 0.3679]\n", + " PeriodicSite: Li (6.724, 9.827, 13.8) [0.331, 0.4838, 0.6793]\n", + " PeriodicSite: Li (12.22, 0.3676, 8.932) [0.6018, 0.01809, 0.4397]\n", + " PeriodicSite: Li (10.4, 2.621, 18.07) [0.5121, 0.129, 0.8897]\n", + " PeriodicSite: Li (13.42, 15.22, 8.501) [0.6605, 0.7495, 0.4185]\n", + " PeriodicSite: Li (12.3, 10.09, 19.79) [0.6056, 0.497, 0.9741]\n", + " PeriodicSite: Li (0.3009, 3.115, 7.423) [0.01482, 0.1534, 0.3654]\n", + " PeriodicSite: Li (1.101, 3.453, 16.97) [0.0542, 0.17, 0.8352]\n", + " PeriodicSite: Li (1.804, 14.65, 6.765) [0.08878, 0.7211, 0.333]\n", + " PeriodicSite: Li (4.864, 13.92, 18.4) [0.2394, 0.6854, 0.9057]\n", + " PeriodicSite: Li (13.07, 1.194, 5.774) [0.6433, 0.05878, 0.2843]\n", + " PeriodicSite: Li (15.03, 1.47, 16.96) [0.7401, 0.07237, 0.8351]\n", + " PeriodicSite: Li (11.52, 12.35, 9.977) [0.5673, 0.6079, 0.4912]\n", + " PeriodicSite: Li (16.81, 17.4, 19.68) [0.8274, 0.8567, 0.9689]\n", + " PeriodicSite: Li (6.295, 0.499, 3.381) [0.3099, 0.02456, 0.1665]\n", + " PeriodicSite: Li (20.2, 17.87, 2.63) [0.9943, 0.8799, 0.1295]\n", + " PeriodicSite: Li (2.847, 14.48, 9.77) [0.1401, 0.713, 0.481]\n", + " PeriodicSite: Li (2.655, 16.03, 14.93) [0.1307, 0.7891, 0.7348]\n", + " PeriodicSite: Li (14.48, 4.634, 7.694) [0.7128, 0.2281, 0.3788]\n", + " PeriodicSite: Li (14.38, 4.582, 18.06) [0.7078, 0.2256, 0.8893]\n", + " PeriodicSite: Li (17.07, 15.53, 8.433) [0.8405, 0.7645, 0.4152]\n", + " PeriodicSite: Li (10.5, 12.35, 18.8) [0.5171, 0.6079, 0.9253]\n", + " PeriodicSite: Li (3.154, 2.366, 5.367) [0.1553, 0.1165, 0.2642]\n", + " PeriodicSite: Li (2.079, 0.6262, 17.81) [0.1023, 0.03083, 0.8766]\n", + " PeriodicSite: Li (4.087, 12.5, 6.054) [0.2012, 0.6155, 0.2981]\n", + " PeriodicSite: Li (17.96, 14.41, 4.343) [0.884, 0.7093, 0.2138]\n", + " PeriodicSite: Li (10.42, 2.9, 7.814) [0.5132, 0.1427, 0.3847]\n", + " PeriodicSite: Li (17.24, 20.23, 15.64) [0.8487, 0.9961, 0.77]\n", + " PeriodicSite: Li (13.69, 8.962, 6.134) [0.6738, 0.4412, 0.302]\n", + " PeriodicSite: Li (15.24, 8.146, 16.91) [0.7503, 0.401, 0.8324]\n", + " PeriodicSite: Li (3.284, 12.21, 15.0) [0.1617, 0.6013, 0.7385]\n", + " PeriodicSite: Li (2.46, 11.54, 10.17) [0.1211, 0.568, 0.5005]\n", + " PeriodicSite: Li (1.816, 16.03, 3.291) [0.0894, 0.7893, 0.162]\n", + " PeriodicSite: Li (1.602, 1.112, 10.59) [0.07886, 0.05476, 0.5213]\n", + " PeriodicSite: Li (11.44, 5.469, 3.064) [0.5631, 0.2692, 0.1508]\n", + " PeriodicSite: Li (12.45, 5.946, 14.28) [0.6128, 0.2927, 0.7029]\n", + " PeriodicSite: Li (10.47, 12.98, 7.018) [0.5156, 0.639, 0.3455]\n", + " PeriodicSite: Li (13.15, 19.3, 14.88) [0.6472, 0.9503, 0.7327]\n", + " PeriodicSite: Li (3.162, 7.116, 0.473) [0.1557, 0.3503, 0.02329]\n", + " PeriodicSite: Li (3.039, 5.079, 11.53) [0.1496, 0.25, 0.5677]\n", + " PeriodicSite: Li (6.616, 17.31, 19.57) [0.3257, 0.8521, 0.9636]\n", + " PeriodicSite: Li (3.824, 19.14, 16.38) [0.1883, 0.9423, 0.8063]\n", + " PeriodicSite: Li (13.85, 4.998, 1.656) [0.6819, 0.246, 0.08152]\n", + " PeriodicSite: Li (10.36, 7.069, 12.68) [0.5099, 0.348, 0.6241]\n", + " PeriodicSite: Li (12.35, 15.86, 4.511) [0.6079, 0.781, 0.2221]\n", + " PeriodicSite: Li (9.079, 16.7, 14.34) [0.447, 0.8222, 0.7058]\n", + " PeriodicSite: Li (3.358, 10.18, 16.85) [0.1653, 0.5012, 0.8296]\n", + " PeriodicSite: Li (4.877, 7.369, 10.74) [0.2401, 0.3628, 0.529]\n", + " PeriodicSite: Li (4.52, 17.08, 1.854) [0.2225, 0.8409, 0.09128]\n", + " PeriodicSite: Li (1.983, 18.1, 10.48) [0.09764, 0.8908, 0.5158]\n", + " PeriodicSite: Li (10.61, 8.293, 2.171) [0.5222, 0.4083, 0.1069]\n", + " PeriodicSite: Li (14.82, 6.029, 12.02) [0.7298, 0.2968, 0.5918]\n", + " PeriodicSite: Li (10.18, 17.37, 2.7) [0.5009, 0.8551, 0.1329]\n", + " PeriodicSite: Li (13.85, 15.45, 12.12) [0.6817, 0.7607, 0.5966]\n", + " PeriodicSite: Li (0.0992, 8.326, 1.599) [0.00488, 0.4099, 0.07872]\n", + " PeriodicSite: Li (17.44, 5.252, 10.61) [0.8586, 0.2585, 0.5222]\n", + " PeriodicSite: Li (2.862, 18.33, 4.928) [0.1409, 0.9024, 0.2426]\n", + " PeriodicSite: Li (0.6833, 19.08, 12.94) [0.03364, 0.9391, 0.637]\n", + " PeriodicSite: Li (9.553, 7.695, 6.22) [0.4703, 0.3789, 0.3062]\n", + " PeriodicSite: Li (13.17, 10.33, 16.13) [0.6486, 0.5087, 0.7939]\n", + " PeriodicSite: Li (14.23, 16.01, 2.366) [0.7007, 0.7881, 0.1165]\n", + " PeriodicSite: Li (12.51, 15.48, 15.38) [0.6159, 0.762, 0.7573]\n", + " PeriodicSite: Li (6.121, 9.312, 3.468) [0.3013, 0.4584, 0.1707]\n", + " PeriodicSite: Li (19.92, 12.04, 12.21) [0.9807, 0.5927, 0.6009]\n", + " PeriodicSite: Li (19.45, 16.79, 6.487) [0.9575, 0.8265, 0.3194]\n", + " PeriodicSite: Li (6.539, 18.59, 14.94) [0.3219, 0.915, 0.7358]\n", + " PeriodicSite: Li (17.65, 10.99, 3.699) [0.8688, 0.5412, 0.1821]\n", + " PeriodicSite: Li (12.95, 6.955, 9.996) [0.6377, 0.3424, 0.4921]\n", + " PeriodicSite: Li (13.0, 16.93, 0.1294) [0.6399, 0.8335, 0.006376]\n", + " PeriodicSite: Li (11.83, 18.54, 11.4) [0.5823, 0.9128, 0.5613]\n", + " PeriodicSite: Li (5.547, 3.582, 18.74) [0.2731, 0.1764, 0.9224]\n", + " PeriodicSite: Li (3.096, 9.194, 14.01) [0.1524, 0.4526, 0.6897]\n", + " PeriodicSite: Li (3.012, 20.28, 3.179) [0.1483, 0.9986, 0.1565]\n", + " PeriodicSite: Li (0.7823, 15.92, 12.8) [0.03851, 0.7839, 0.63]\n", + " PeriodicSite: Li (14.97, 9.094, 2.983) [0.737, 0.4477, 0.1469]\n", + " PeriodicSite: Li (14.4, 8.583, 13.45) [0.7088, 0.4226, 0.6622]\n", + " PeriodicSite: Li (12.99, 18.85, 4.903) [0.6394, 0.9281, 0.2414]\n", + " PeriodicSite: Li (18.33, 4.161, 13.93) [0.9024, 0.2048, 0.6857]\n", + " PeriodicSite: Li (9.904, 3.413, 2.942) [0.4876, 0.168, 0.1449]\n", + " PeriodicSite: Li (9.794, 1.613, 11.86) [0.4821, 0.07939, 0.5836]\n", + " PeriodicSite: Li (5.924, 12.22, 4.109) [0.2917, 0.6017, 0.2023]\n", + " PeriodicSite: Li (6.663, 12.12, 15.24) [0.328, 0.5967, 0.7501]\n", + " PeriodicSite: Li (18.11, 3.404, 4.684) [0.8913, 0.1676, 0.2306]\n", + " PeriodicSite: Li (13.04, 3.284, 9.967) [0.642, 0.1617, 0.4907]\n", + " PeriodicSite: Li (20.27, 12.38, 2.054) [0.998, 0.6096, 0.1011]\n", + " PeriodicSite: Li (17.65, 10.09, 12.64) [0.8688, 0.4966, 0.6221]\n", + " PeriodicSite: Li (5.988, 18.86, 6.281) [0.2948, 0.9285, 0.3092]\n", + " PeriodicSite: Li (9.141, 4.004, 13.26) [0.45, 0.1971, 0.653]\n", + " PeriodicSite: Li (6.829, 13.23, 0.29) [0.3362, 0.6512, 0.01428]\n", + " PeriodicSite: Li (9.643, 13.03, 14.22) [0.4748, 0.6417, 0.7]\n", + " PeriodicSite: Li (15.08, 18.89, 2.858) [0.7424, 0.9298, 0.1407]\n", + " PeriodicSite: Li (18.36, 0.3688, 12.2) [0.904, 0.01815, 0.6007]\n", + " PeriodicSite: Li (17.77, 15.06, 1.333) [0.875, 0.7415, 0.06562]\n", + " PeriodicSite: Li (16.95, 14.84, 11.9) [0.8344, 0.7306, 0.5861]\n", + " PeriodicSite: Li (7.556, 4.362, 4.738) [0.372, 0.2147, 0.2333]\n", + " PeriodicSite: Li (6.758, 0.2922, 12.66) [0.3327, 0.01438, 0.6234]\n", + " PeriodicSite: Li (9.634, 12.44, 2.463) [0.4743, 0.6126, 0.1213]\n", + " PeriodicSite: Li (5.53, 13.93, 12.06) [0.2723, 0.6858, 0.5937]\n", + " PeriodicSite: Li (19.76, 2.403, 2.464) [0.973, 0.1183, 0.1213]\n", + " PeriodicSite: Li (0.9623, 7.859, 11.07) [0.04737, 0.3869, 0.5449]\n", + " PeriodicSite: Li (15.61, 13.34, 1.425) [0.7684, 0.6569, 0.07015]\n", + " PeriodicSite: Li (15.37, 12.06, 13.75) [0.7567, 0.5938, 0.6768]\n", + " PeriodicSite: Li (2.764, 0.2101, 6.874) [0.1361, 0.01034, 0.3384]\n", + " PeriodicSite: Li (7.143, 2.2, 14.88) [0.3516, 0.1083, 0.7325]\n", + " PeriodicSite: Li (4.324, 13.87, 1.76) [0.2129, 0.6829, 0.08663]\n", + " PeriodicSite: Li (9.137, 7.298, 15.61) [0.4498, 0.3593, 0.7685]\n", + " PeriodicSite: Li (16.73, 5.032, 1.832) [0.8236, 0.2477, 0.09017]\n", + " PeriodicSite: Li (15.82, 18.61, 13.57) [0.7786, 0.9161, 0.6682]\n", + " PeriodicSite: Li (13.25, 13.3, 0.04619) [0.6524, 0.6549, 0.002279]\n", + " PeriodicSite: Li (17.55, 12.87, 10.21) [0.864, 0.6338, 0.5027]\n", + " PeriodicSite: Li (6.82, 5.916, 1.514) [0.3357, 0.2913, 0.07454]\n", + " PeriodicSite: Li (5.096, 3.093, 12.1) [0.2509, 0.1523, 0.5955]\n", + " PeriodicSite: Li (7.541, 10.0, 0.9416) [0.3712, 0.4925, 0.04636]\n", + " PeriodicSite: Li (8.207, 11.58, 10.97) [0.4041, 0.5701, 0.5399]\n", + " PeriodicSite: Li (15.39, 2.224, 3.739) [0.7577, 0.1095, 0.1841]\n", + " PeriodicSite: Li (15.78, 2.657, 10.81) [0.7767, 0.1308, 0.532]\n", + " PeriodicSite: Li (1.171, 11.41, 18.65) [0.05764, 0.5619, 0.9181]\n", + " PeriodicSite: Li (18.45, 13.61, 14.66) [0.9084, 0.67, 0.7217]\n", + " PeriodicSite: Li (8.276, 1.873, 0.3256) [0.4075, 0.09222, 0.01603]\n", + " PeriodicSite: Li (6.776, 2.842, 10.09) [0.3336, 0.1399, 0.4966]\n", + " PeriodicSite: Li (8.065, 14.07, 4.553) [0.397, 0.6924, 0.2242]\n", + " PeriodicSite: Li (4.591, 16.92, 12.27) [0.226, 0.8331, 0.6042]\n", + " PeriodicSite: Li (16.13, 2.892, 0.6167) [0.7943, 0.1424, 0.03036]\n", + " PeriodicSite: Li (1.958, 6.67, 14.6) [0.0964, 0.3284, 0.7188]\n", + " PeriodicSite: Li (5.176, 13.54, 8.806) [0.2548, 0.6665, 0.4335]\n", + " PeriodicSite: Li (14.52, 12.87, 10.6) [0.715, 0.6336, 0.522]\n", + " PeriodicSite: Li (15.71, 12.01, 6.995) [0.7736, 0.5911, 0.3444]\n", + " PeriodicSite: Li (5.786, 7.871, 15.89) [0.2848, 0.3875, 0.7825]\n", + " PeriodicSite: Li (7.38, 14.99, 9.923) [0.3633, 0.7378, 0.4885]\n", + " PeriodicSite: Li (1.967, 19.4, 0.5405) [0.09685, 0.955, 0.02661]\n", + " PeriodicSite: Li (16.82, 9.499, 6.534) [0.828, 0.4676, 0.3217]\n", + " PeriodicSite: Li (3.322, 5.16, 18.18) [0.1635, 0.2541, 0.8951]\n", + " PeriodicSite: Li (17.11, 0.08472, 4.321) [0.8424, 0.004164, 0.2127]\n", + " PeriodicSite: Li (19.53, 19.25, 18.89) [0.9616, 0.9475, 0.9298]\n", + " PeriodicSite: Li (6.693, 9.809, 6.669) [0.3295, 0.4829, 0.3283]\n", + " PeriodicSite: Li (7.273, 5.605, 18.41) [0.3581, 0.276, 0.9063]\n", + " PeriodicSite: Li (8.321, 20.26, 8.289) [0.4096, 0.9976, 0.4081]\n", + " PeriodicSite: Li (8.325, 15.32, 17.32) [0.4099, 0.754, 0.8529]\n", + " PeriodicSite: Li (18.14, 8.014, 9.84) [0.8931, 0.3945, 0.4845]\n", + " PeriodicSite: Li (18.23, 9.011, 19.67) [0.8977, 0.4436, 0.9686]\n", + " PeriodicSite: Li (17.88, 19.85, 7.883) [0.8804, 0.9775, 0.3881]\n", + " PeriodicSite: Li (18.97, 17.0, 15.8) [0.9341, 0.8368, 0.778]\n", + " PeriodicSite: Li (6.948, 5.54, 8.561) [0.342, 0.2728, 0.4215]\n", + " PeriodicSite: Li (4.414, 2.278, 15.8) [0.2173, 0.1122, 0.7777]\n", + " PeriodicSite: Li (8.413, 18.39, 10.17) [0.4142, 0.9054, 0.5007]\n", + " PeriodicSite: Li (16.62, 11.62, 16.22) [0.8183, 0.5721, 0.7988]\n", + " PeriodicSite: Li (19.72, 9.11, 8.001) [0.9708, 0.4485, 0.3939]\n", + " PeriodicSite: Li (17.36, 5.467, 18.73) [0.8545, 0.2691, 0.9222]\n", + " PeriodicSite: Li (15.78, 17.22, 9.786) [0.7768, 0.8476, 0.4818]\n", + " PeriodicSite: Li (15.19, 14.52, 18.4) [0.7477, 0.7147, 0.9058]\n", + " PeriodicSite: Li (9.339, 8.331, 9.431) [0.4598, 0.4101, 0.4643]\n", + " PeriodicSite: Li (4.082, 3.571, 0.8301) [0.201, 0.1758, 0.04087]\n", + " PeriodicSite: Li (5.382, 17.21, 8.522) [0.265, 0.8474, 0.4196]\n", + " PeriodicSite: Li (7.136, 15.31, 1.48) [0.3513, 0.7536, 0.07289]\n", + " PeriodicSite: Li (15.91, 6.736, 8.788) [0.7832, 0.3316, 0.4327]\n", + " PeriodicSite: Li (20.25, 7.042, 17.22) [0.9969, 0.3467, 0.8477]\n", + " PeriodicSite: Li (15.43, 18.41, 6.656) [0.7595, 0.9062, 0.3277]\n", + " PeriodicSite: Li (15.07, 18.61, 16.9) [0.7419, 0.9164, 0.8322]\n", + " PeriodicSite: Li (7.075, 4.848, 11.86) [0.3483, 0.2387, 0.5839]\n", + " PeriodicSite: Li (5.824, 7.651, 19.19) [0.2867, 0.3766, 0.9449]\n", + " PeriodicSite: Li (8.086, 17.02, 5.483) [0.3981, 0.838, 0.27]\n", + " PeriodicSite: Li (11.91, 20.0, 1.807) [0.5864, 0.9847, 0.08897]\n", + " PeriodicSite: Li (18.15, 7.188, 5.248) [0.8936, 0.3539, 0.2584]\n", + " PeriodicSite: Li (14.35, 7.074, 0.003551) [0.7062, 0.3483, 0.0001793]\n", + " PeriodicSite: Li (18.5, 17.71, 10.18) [0.9109, 0.872, 0.501]\n", + " PeriodicSite: Li (17.88, 0.8319, 1.139) [0.8805, 0.04095, 0.05608]\n", + " PeriodicSite: Li (3.005, 10.25, 2.76) [0.1479, 0.5048, 0.1359]\n", + " PeriodicSite: Li (9.569, 7.823, 18.68) [0.4711, 0.3851, 0.9195]\n", + " PeriodicSite: Li (9.997, 17.24, 7.786) [0.4921, 0.8486, 0.3833]\n", + " PeriodicSite: Li (6.806, 0.13, 17.11) [0.335, 0.006399, 0.8424]\n", + " PeriodicSite: Li (19.87, 5.973, 7.7) [0.9783, 0.294, 0.3791]\n", + " PeriodicSite: Li (18.17, 11.97, 0.206) [0.8947, 0.5891, 0.01015]\n", + " PeriodicSite: Li (2.846, 15.9, 20.08) [0.1401, 0.7829, 0.9887]\n", + " PeriodicSite: Li (14.9, 1.861, 13.68) [0.7337, 0.0916, 0.6734]\n", + " PeriodicSite: Cl (7.839, 12.78, 12.93) [0.3859, 0.6293, 0.6365]\n", + " PeriodicSite: Cl (2.996, 12.35, 17.52) [0.1475, 0.6079, 0.8623]\n", + " PeriodicSite: Cl (13.34, 17.63, 13.11) [0.6566, 0.8678, 0.6453]\n", + " PeriodicSite: Cl (18.11, 7.631, 17.83) [0.8914, 0.3757, 0.8777]\n", + " PeriodicSite: Cl (7.727, 2.546, 2.775) [0.3804, 0.1253, 0.1366]\n", + " PeriodicSite: Cl (7.926, 7.661, 7.614) [0.3902, 0.3771, 0.3749]\n", + " PeriodicSite: Cl (12.76, 12.96, 8.179) [0.6284, 0.6378, 0.4027]\n", + " PeriodicSite: Cl (2.415, 7.959, 2.432) [0.1189, 0.3919, 0.1198]\n", + " PeriodicSite: Cl (2.771, 7.36, 12.51) [0.1364, 0.3623, 0.6157]\n", + " PeriodicSite: Cl (12.61, 12.05, 18.44) [0.6207, 0.5933, 0.9077]\n", + " PeriodicSite: Cl (17.49, 18.11, 17.54) [0.8609, 0.8918, 0.8633]\n", + " PeriodicSite: Cl (2.434, 2.332, 7.649) [0.1198, 0.1148, 0.3766]\n", + " PeriodicSite: Cl (12.73, 2.879, 17.92) [0.6269, 0.1417, 0.8825]\n", + " PeriodicSite: Cl (12.98, 7.159, 2.06) [0.6391, 0.3524, 0.1014]\n", + " PeriodicSite: Cl (17.35, 2.222, 12.62) [0.8539, 0.1094, 0.6214]\n", + " PeriodicSite: Cl (7.487, 18.1, 17.59) [0.3686, 0.8909, 0.8661]\n", + " PeriodicSite: Cl (0.1651, 0.4477, 0.004136) [0.008127, 0.02204, 0.0002037]\n", + " PeriodicSite: Cl (20.17, 19.63, 10.71) [0.9929, 0.9665, 0.5271]\n", + " PeriodicSite: Cl (20.13, 10.41, 0.4037) [0.9912, 0.5127, 0.01988]\n", + " PeriodicSite: Cl (20.02, 9.79, 10.14) [0.9857, 0.482, 0.4991]\n", + " PeriodicSite: Cl (10.37, 0.1667, 19.98) [0.5105, 0.008204, 0.9836]\n", + " PeriodicSite: Cl (10.1, 20.3, 10.1) [0.497, 0.9996, 0.4972]\n", + " PeriodicSite: Cl (10.05, 10.11, 0.2306) [0.4946, 0.4979, 0.01136]\n", + " PeriodicSite: Cl (10.24, 10.16, 10.52) [0.5042, 0.5002, 0.5178]\n", + " PeriodicSite: Cl (20.27, 4.662, 5.567) [0.9979, 0.2295, 0.2741]\n", + " PeriodicSite: Cl (0.2703, 5.149, 15.16) [0.01331, 0.2535, 0.7466]\n", + " PeriodicSite: Cl (20.15, 15.27, 5.042) [0.9919, 0.7516, 0.2482]\n", + " PeriodicSite: Cl (0.2685, 15.22, 14.85) [0.01322, 0.7492, 0.7312]\n", + " PeriodicSite: Cl (10.2, 4.968, 5.045) [0.5021, 0.2446, 0.2484]\n", + " PeriodicSite: Cl (10.09, 5.381, 15.01) [0.497, 0.2649, 0.739]\n", + " PeriodicSite: Cl (10.06, 15.52, 5.056) [0.4953, 0.7642, 0.2489]\n", + " PeriodicSite: Cl (9.849, 15.0, 15.62) [0.4849, 0.7387, 0.7691]\n", + " PeriodicSite: S (4.401, 20.28, 5.188) [0.2167, 0.9985, 0.2554]\n", + " PeriodicSite: S (5.426, 0.2467, 15.03) [0.2671, 0.01214, 0.7397]\n", + " PeriodicSite: S (4.774, 10.21, 4.986) [0.235, 0.5026, 0.2455]\n", + " PeriodicSite: S (4.928, 10.28, 15.26) [0.2426, 0.5061, 0.7511]\n", + " PeriodicSite: S (14.88, 0.03653, 5.237) [0.7327, 0.001792, 0.2578]\n", + " PeriodicSite: S (15.02, 0.0397, 15.19) [0.7397, 0.001949, 0.748]\n", + " PeriodicSite: S (15.36, 10.23, 5.041) [0.7559, 0.5037, 0.2482]\n", + " PeriodicSite: S (15.54, 9.874, 15.08) [0.7648, 0.4861, 0.7423]\n", + " PeriodicSite: S (5.126, 5.305, 19.95) [0.2524, 0.2612, 0.9824]\n", + " PeriodicSite: S (5.155, 4.681, 9.964) [0.2538, 0.2304, 0.4905]\n", + " PeriodicSite: S (5.282, 15.22, 0.1075) [0.26, 0.7493, 0.005293]\n", + " PeriodicSite: S (5.072, 15.21, 10.15) [0.2497, 0.7487, 0.4997]\n", + " PeriodicSite: S (15.44, 4.979, 20.06) [0.7602, 0.2451, 0.9877]\n", + " PeriodicSite: S (15.09, 4.736, 9.949) [0.7427, 0.2332, 0.4898]\n", + " PeriodicSite: S (15.3, 15.38, 0.1949) [0.7533, 0.7571, 0.009598]\n", + " PeriodicSite: S (15.3, 15.12, 10.44) [0.7532, 0.7442, 0.5138]\n", + " PeriodicSite: S (8.544, 3.776, 8.748) [0.4206, 0.1859, 0.4307]\n", + " PeriodicSite: S (8.924, 3.81, 19.46) [0.4393, 0.1876, 0.9578]\n", + " PeriodicSite: S (9.299, 14.16, 9.046) [0.4578, 0.6971, 0.4453]\n", + " PeriodicSite: S (8.663, 14.11, 19.12) [0.4265, 0.6947, 0.9412]\n", + " PeriodicSite: S (19.18, 3.917, 9.054) [0.944, 0.1928, 0.4457]\n", + " PeriodicSite: S (19.58, 4.058, 18.95) [0.964, 0.1998, 0.933]\n", + " PeriodicSite: S (19.09, 13.97, 8.672) [0.9396, 0.6878, 0.4269]\n", + " PeriodicSite: S (19.55, 13.79, 19.19) [0.9624, 0.6788, 0.9447]\n", + " PeriodicSite: S (3.622, 1.133, 1.133) [0.1783, 0.05577, 0.05577]\n", + " PeriodicSite: S (3.681, 0.9971, 11.44) [0.1812, 0.04909, 0.5633]\n", + " PeriodicSite: S (3.656, 11.72, 1.113) [0.18, 0.5768, 0.0548]\n", + " PeriodicSite: S (4.265, 11.53, 11.76) [0.2099, 0.5679, 0.5788]\n", + " PeriodicSite: S (14.38, 0.8723, 1.472) [0.7078, 0.04294, 0.07245]\n", + " PeriodicSite: S (13.88, 1.278, 11.29) [0.6832, 0.0629, 0.556]\n", + " PeriodicSite: S (14.21, 11.3, 1.057) [0.6996, 0.5563, 0.05206]\n", + " PeriodicSite: S (13.71, 10.9, 11.44) [0.6748, 0.5366, 0.5633]\n", + " PeriodicSite: S (6.104, 0.8846, 9.093) [0.3005, 0.04355, 0.4477]\n", + " PeriodicSite: S (6.307, 1.414, 19.2) [0.3105, 0.0696, 0.9453]\n", + " PeriodicSite: S (6.406, 11.38, 8.946) [0.3154, 0.5604, 0.4404]\n", + " PeriodicSite: S (6.026, 11.37, 19.28) [0.2967, 0.5599, 0.9494]\n", + " PeriodicSite: S (16.13, 1.374, 8.977) [0.7939, 0.06766, 0.442]\n", + " PeriodicSite: S (16.44, 1.217, 19.24) [0.8094, 0.05993, 0.9474]\n", + " PeriodicSite: S (16.21, 11.08, 9.095) [0.7979, 0.5454, 0.4478]\n", + " PeriodicSite: S (16.75, 11.26, 18.86) [0.8247, 0.5541, 0.9287]\n", + " PeriodicSite: S (0.8297, 4.25, 1.529) [0.04084, 0.2092, 0.0753]\n", + " PeriodicSite: S (1.347, 3.566, 11.38) [0.06633, 0.1756, 0.56]\n", + " PeriodicSite: S (1.488, 14.51, 1.297) [0.07323, 0.7144, 0.06388]\n", + " PeriodicSite: S (1.025, 13.64, 11.33) [0.05048, 0.6714, 0.5575]\n", + " PeriodicSite: S (11.67, 3.75, 1.097) [0.5747, 0.1846, 0.054]\n", + " PeriodicSite: S (10.98, 3.801, 11.26) [0.5405, 0.1871, 0.5544]\n", + " PeriodicSite: S (11.02, 14.53, 0.8659) [0.5426, 0.7153, 0.04263]\n", + " PeriodicSite: S (11.49, 14.1, 11.77) [0.5659, 0.694, 0.5796]\n", + " PeriodicSite: S (3.041, 2.725, 18.01) [0.1497, 0.1341, 0.8867]\n", + " PeriodicSite: S (2.922, 12.71, 7.967) [0.1438, 0.6257, 0.3922]\n", + " PeriodicSite: S (12.62, 2.845, 7.422) [0.6212, 0.14, 0.3654]\n", + " PeriodicSite: S (8.738, 9.1, 3.939) [0.4302, 0.448, 0.1939]\n", + " PeriodicSite: S (9.127, 9.095, 14.0) [0.4493, 0.4477, 0.6892]\n", + " PeriodicSite: S (8.79, 18.92, 4.227) [0.4327, 0.9314, 0.2081]\n", + " PeriodicSite: S (8.821, 19.19, 13.9) [0.4343, 0.9449, 0.6845]\n", + " PeriodicSite: S (19.28, 8.905, 3.881) [0.9494, 0.4384, 0.1911]\n", + " PeriodicSite: S (19.32, 8.771, 14.15) [0.9512, 0.4318, 0.6967]\n", + " PeriodicSite: S (19.11, 19.63, 3.559) [0.9409, 0.9665, 0.1752]\n", + " PeriodicSite: S (18.97, 19.37, 14.18) [0.9341, 0.9537, 0.6979]\n", + " PeriodicSite: S (3.229, 6.186, 5.426) [0.1589, 0.3045, 0.2671]\n", + " PeriodicSite: S (3.965, 6.601, 16.06) [0.1952, 0.325, 0.7906]\n", + " PeriodicSite: S (3.525, 16.38, 6.28) [0.1735, 0.8065, 0.3092]\n", + " PeriodicSite: S (4.404, 16.36, 16.67) [0.2168, 0.8052, 0.8205]\n", + " PeriodicSite: S (13.93, 6.37, 6.283) [0.6858, 0.3136, 0.3093]\n", + " PeriodicSite: S (14.03, 6.161, 16.45) [0.6906, 0.3033, 0.8098]\n", + " PeriodicSite: S (13.87, 16.21, 6.349) [0.6826, 0.7983, 0.3126]\n", + " PeriodicSite: S (14.42, 16.15, 16.6) [0.7099, 0.7951, 0.8172]\n", + " PeriodicSite: S (6.292, 6.319, 3.941) [0.3097, 0.3111, 0.194]\n", + " PeriodicSite: S (6.334, 6.309, 13.79) [0.3118, 0.3106, 0.6789]\n", + " PeriodicSite: S (5.988, 16.39, 3.671) [0.2948, 0.8068, 0.1807]\n", + " PeriodicSite: S (6.791, 16.2, 13.98) [0.3343, 0.7977, 0.6881]\n", + " PeriodicSite: S (16.5, 6.401, 3.85) [0.8125, 0.3151, 0.1896]\n", + " PeriodicSite: S (16.78, 5.98, 14.41) [0.8263, 0.2944, 0.7092]\n", + " PeriodicSite: S (16.47, 16.46, 4.079) [0.8107, 0.8105, 0.2008]\n", + " PeriodicSite: S (16.67, 16.3, 13.99) [0.8206, 0.8025, 0.6887]\n", + " PeriodicSite: S (1.13, 9.046, 6.314) [0.05564, 0.4454, 0.3108]\n", + " PeriodicSite: S (1.498, 8.944, 16.22) [0.07374, 0.4403, 0.7984]\n", + " PeriodicSite: S (0.6348, 19.07, 6.31) [0.03125, 0.9389, 0.3106]\n", + " PeriodicSite: S (0.8468, 18.91, 16.76) [0.04169, 0.9309, 0.8249]\n", + " PeriodicSite: S (11.24, 9.275, 6.363) [0.5534, 0.4566, 0.3133]\n", + " PeriodicSite: S (11.16, 8.669, 16.58) [0.5497, 0.4268, 0.8164]\n", + " PeriodicSite: S (11.29, 19.4, 6.476) [0.5559, 0.955, 0.3188]\n", + " PeriodicSite: S (11.05, 19.25, 16.35) [0.5439, 0.9475, 0.8051]\n", + " PeriodicSite: S (2.262, 18.01, 2.416) [0.1113, 0.8864, 0.119]\n", + " PeriodicSite: S (2.553, 17.62, 12.92) [0.1257, 0.8676, 0.6361]\n", + " PeriodicSite: S (12.58, 7.648, 12.25) [0.6191, 0.3765, 0.6031]\n", + " PeriodicSite: S (12.71, 17.65, 2.781) [0.6258, 0.8687, 0.1369]\n", + " PeriodicSite: S (4.476, 3.342, 3.568) [0.2203, 0.1645, 0.1756]\n", + " PeriodicSite: S (3.83, 3.89, 13.93) [0.1885, 0.1915, 0.6856]\n", + " PeriodicSite: S (3.27, 14.17, 4.012) [0.161, 0.6976, 0.1975]\n", + " PeriodicSite: S (4.223, 14.13, 14.0) [0.2079, 0.6959, 0.6893]\n", + " PeriodicSite: S (13.89, 4.099, 3.816) [0.684, 0.2018, 0.1879]\n", + " PeriodicSite: S (14.24, 3.994, 13.9) [0.7011, 0.1966, 0.6844]\n", + " PeriodicSite: S (14.16, 14.13, 3.884) [0.6969, 0.6958, 0.1912]\n", + " PeriodicSite: S (14.16, 14.11, 13.98) [0.6972, 0.6946, 0.6881]\n", + " PeriodicSite: S (8.766, 1.306, 6.287) [0.4316, 0.06428, 0.3095]\n", + " PeriodicSite: S (8.876, 1.529, 16.2) [0.437, 0.07529, 0.7974]\n", + " PeriodicSite: S (8.666, 11.47, 6.173) [0.4266, 0.5649, 0.3039]\n", + " PeriodicSite: S (8.835, 11.24, 16.54) [0.435, 0.5532, 0.8141]\n", + " PeriodicSite: S (18.63, 1.344, 6.217) [0.9173, 0.06617, 0.3061]\n", + " PeriodicSite: S (19.3, 1.643, 16.27) [0.9501, 0.08087, 0.8011]\n", + " PeriodicSite: S (18.98, 11.14, 6.332) [0.9344, 0.5483, 0.3117]\n", + " PeriodicSite: S (19.79, 11.48, 16.37) [0.9744, 0.5652, 0.8061]\n", + " PeriodicSite: S (0.9628, 1.488, 4.356) [0.0474, 0.07328, 0.2144]\n", + " PeriodicSite: S (1.402, 0.7802, 14.23) [0.06902, 0.03841, 0.7007]\n", + " PeriodicSite: S (1.189, 11.56, 4.057) [0.05854, 0.5693, 0.1997]\n", + " PeriodicSite: S (1.274, 10.99, 13.66) [0.06273, 0.541, 0.6727]\n", + " PeriodicSite: S (11.17, 1.089, 3.97) [0.5502, 0.05362, 0.1954]\n", + " PeriodicSite: S (11.28, 1.169, 13.87) [0.5556, 0.05756, 0.683]\n", + " PeriodicSite: S (11.24, 11.37, 3.843) [0.5533, 0.5597, 0.1892]\n", + " PeriodicSite: S (11.45, 11.43, 14.51) [0.5635, 0.5628, 0.7143]\n", + " PeriodicSite: S (5.66, 4.169, 6.406) [0.2786, 0.2052, 0.3154]\n", + " PeriodicSite: S (6.353, 3.867, 16.15) [0.3128, 0.1904, 0.795]\n", + " PeriodicSite: S (5.943, 14.1, 6.165) [0.2926, 0.6941, 0.3035]\n", + " PeriodicSite: S (6.492, 13.94, 16.51) [0.3196, 0.6863, 0.8128]\n", + " PeriodicSite: S (16.46, 4.055, 6.13) [0.8105, 0.1996, 0.3018]\n", + " PeriodicSite: S (16.22, 3.627, 16.47) [0.7984, 0.1786, 0.8107]\n", + " PeriodicSite: S (16.62, 14.15, 6.284) [0.8184, 0.6965, 0.3094]\n", + " PeriodicSite: S (16.75, 14.04, 16.44) [0.8244, 0.6913, 0.8094]\n", + " PeriodicSite: S (7.439, 2.63, 12.44) [0.3662, 0.1295, 0.6125]\n", + " PeriodicSite: S (7.379, 12.66, 2.515) [0.3633, 0.6233, 0.1238]\n", + " PeriodicSite: S (17.34, 2.755, 2.638) [0.8536, 0.1356, 0.1299]\n", + " PeriodicSite: S (17.81, 12.97, 2.33) [0.8767, 0.6383, 0.1147]\n", + " PeriodicSite: S (17.54, 12.42, 12.56) [0.8634, 0.6115, 0.6181]\n", + " PeriodicSite: S (3.809, 9.181, 9.403) [0.1875, 0.452, 0.4629]\n", + " PeriodicSite: S (3.676, 9.24, 19.07) [0.181, 0.4549, 0.9387]\n", + " PeriodicSite: S (3.529, 19.13, 8.817) [0.1737, 0.942, 0.4341]\n", + " PeriodicSite: S (3.789, 19.47, 18.9) [0.1866, 0.9585, 0.9303]\n", + " PeriodicSite: S (14.06, 8.733, 8.748) [0.6922, 0.4299, 0.4307]\n", + " PeriodicSite: S (14.2, 9.041, 18.77) [0.6991, 0.4451, 0.924]\n", + " PeriodicSite: S (14.05, 19.1, 9.037) [0.6916, 0.9404, 0.4449]\n", + " PeriodicSite: S (14.22, 19.0, 19.12) [0.6999, 0.9354, 0.9414]\n", + " PeriodicSite: S (9.446, 5.957, 1.64) [0.465, 0.2932, 0.08075]\n", + " PeriodicSite: S (8.659, 6.174, 11.18) [0.4263, 0.3039, 0.5502]\n", + " PeriodicSite: S (8.748, 16.88, 0.8618) [0.4307, 0.8309, 0.04243]\n", + " PeriodicSite: S (8.9, 16.17, 11.73) [0.4382, 0.7958, 0.5777]\n", + " PeriodicSite: S (18.64, 6.574, 0.6659) [0.9179, 0.3236, 0.03279]\n", + " PeriodicSite: S (19.24, 6.187, 11.53) [0.947, 0.3046, 0.5677]\n", + " PeriodicSite: S (19.71, 17.03, 0.4201) [0.9705, 0.8385, 0.02069]\n", + " PeriodicSite: S (18.92, 15.92, 11.51) [0.9313, 0.7839, 0.5667]\n", + " PeriodicSite: S (1.423, 6.039, 9.369) [0.07003, 0.2973, 0.4613]\n", + " PeriodicSite: S (1.274, 6.607, 19.34) [0.06271, 0.3253, 0.9522]\n", + " PeriodicSite: S (1.012, 16.31, 9.109) [0.0498, 0.8029, 0.4485]\n", + " PeriodicSite: S (1.492, 15.8, 18.41) [0.07345, 0.7781, 0.9065]\n", + " PeriodicSite: S (11.01, 6.178, 8.798) [0.5421, 0.3042, 0.4332]\n", + " PeriodicSite: S (11.24, 6.2, 19.02) [0.5534, 0.3052, 0.9365]\n", + " PeriodicSite: S (11.43, 16.61, 9.666) [0.5628, 0.8178, 0.4759]\n", + " PeriodicSite: S (10.93, 16.53, 18.73) [0.5382, 0.8138, 0.9219]\n", + " PeriodicSite: S (5.638, 8.906, 1.164) [0.2776, 0.4385, 0.05729]\n", + " PeriodicSite: S (6.576, 9.298, 11.37) [0.3238, 0.4578, 0.5597]\n", + " PeriodicSite: S (6.044, 19.1, 0.9696) [0.2975, 0.9401, 0.04774]\n", + " PeriodicSite: S (5.775, 18.95, 11.44) [0.2843, 0.9327, 0.563]\n", + " PeriodicSite: S (16.47, 8.948, 1.009) [0.8107, 0.4405, 0.0497]\n", + " PeriodicSite: S (16.12, 8.51, 11.45) [0.7936, 0.4189, 0.5637]\n", + " PeriodicSite: S (16.91, 19.06, 1.188) [0.8326, 0.9381, 0.05852]\n", + " PeriodicSite: S (16.56, 19.26, 11.29) [0.8152, 0.9483, 0.5558]\n", + " PeriodicSite: S (7.4, 7.663, 17.49) [0.3643, 0.3772, 0.861]\n", + " PeriodicSite: S (7.655, 17.89, 7.652) [0.3769, 0.8806, 0.3767]\n", + " PeriodicSite: S (17.71, 7.646, 7.69) [0.8717, 0.3764, 0.3786]\n", + " PeriodicSite: S (17.48, 17.64, 7.688) [0.8605, 0.8686, 0.3785]\n", + " PeriodicSite: P (4.994, 0.1458, 20.18) [0.2459, 0.007177, 0.9937]\n", + " PeriodicSite: P (4.818, 20.18, 10.11) [0.2372, 0.9935, 0.4975]\n", + " PeriodicSite: P (4.738, 10.3, 0.04571) [0.2333, 0.5068, 0.002252]\n", + " PeriodicSite: P (5.26, 10.49, 10.31) [0.259, 0.5163, 0.5077]\n", + " PeriodicSite: P (15.38, 20.15, 0.06431) [0.7574, 0.9918, 0.003172]\n", + " PeriodicSite: P (15.2, 0.04129, 10.22) [0.7482, 0.002027, 0.5032]\n", + " PeriodicSite: P (15.43, 10.17, 20.11) [0.7597, 0.5004, 0.9902]\n", + " PeriodicSite: P (15.03, 9.79, 10.23) [0.7399, 0.482, 0.5036]\n", + " PeriodicSite: P (4.832, 5.04, 4.671) [0.2379, 0.2481, 0.2299]\n", + " PeriodicSite: P (5.22, 5.258, 15.05) [0.257, 0.2589, 0.7409]\n", + " PeriodicSite: P (4.773, 15.28, 4.976) [0.235, 0.7522, 0.245]\n", + " PeriodicSite: P (5.494, 15.19, 15.21) [0.2705, 0.7477, 0.7487]\n", + " PeriodicSite: P (15.19, 5.281, 4.952) [0.7478, 0.26, 0.2438]\n", + " PeriodicSite: P (15.34, 5.024, 15.3) [0.7553, 0.2473, 0.7533]\n", + " PeriodicSite: P (15.25, 15.2, 5.154) [0.7506, 0.7485, 0.2537]\n", + " PeriodicSite: P (15.44, 15.12, 15.15) [0.7601, 0.7443, 0.7456]\n", + " PeriodicSite: P (20.03, 0.2413, 5.109) [0.9863, 0.01187, 0.2515]\n", + " PeriodicSite: P (20.24, 0.1253, 15.51) [0.9967, 0.006163, 0.7634]\n", + " PeriodicSite: P (0.04582, 10.26, 5.126) [0.002253, 0.5052, 0.2523]\n", + " PeriodicSite: P (0.2804, 10.03, 15.05) [0.0138, 0.4939, 0.7409]\n", + " PeriodicSite: P (9.975, 20.22, 5.208) [0.4911, 0.9955, 0.2564]\n", + " PeriodicSite: P (9.999, 0.1357, 15.01) [0.4923, 0.006676, 0.739]\n", + " PeriodicSite: P (9.951, 10.31, 5.07) [0.4899, 0.5074, 0.2496]\n", + " PeriodicSite: P (10.22, 10.09, 15.49) [0.503, 0.4968, 0.7627]\n", + " PeriodicSite: P (20.19, 5.4, 0.01746) [0.9941, 0.2658, 0.0008657]\n", + " PeriodicSite: P (0.161, 4.869, 10.37) [0.007928, 0.2397, 0.5108]\n", + " PeriodicSite: P (0.3465, 15.19, 20.04) [0.01706, 0.748, 0.9868]\n", + " PeriodicSite: P (20.2, 14.96, 10.16) [0.9945, 0.7364, 0.5003]\n", + " PeriodicSite: P (10.38, 4.938, 0.04056) [0.5112, 0.2431, 0.002]\n", + " PeriodicSite: P (9.786, 5.056, 9.933) [0.4818, 0.2489, 0.489]\n", + " PeriodicSite: P (9.735, 15.56, 20.05) [0.4793, 0.7659, 0.9872]\n", + " PeriodicSite: P (10.21, 15.22, 10.59) [0.5025, 0.7494, 0.5212],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.832, 5.905, 3.405) [0.0902, 0.2907, 0.1676]\n", + " PeriodicSite: Li (1.507, 3.536, 14.26) [0.07418, 0.1741, 0.7021]\n", + " PeriodicSite: Li (20.2, 12.34, 7.738) [0.9942, 0.6073, 0.381]\n", + " PeriodicSite: Li (0.6956, 13.66, 17.16) [0.03424, 0.6724, 0.845]\n", + " PeriodicSite: Li (15.11, 1.685, 6.915) [0.7438, 0.08295, 0.3404]\n", + " PeriodicSite: Li (12.83, 2.247, 15.29) [0.6315, 0.1106, 0.7527]\n", + " PeriodicSite: Li (13.78, 11.29, 3.464) [0.6784, 0.5558, 0.1705]\n", + " PeriodicSite: Li (17.23, 8.511, 15.18) [0.8485, 0.419, 0.7474]\n", + " PeriodicSite: Li (4.251, 3.926, 8.625) [0.2093, 0.1933, 0.4246]\n", + " PeriodicSite: Li (1.995, 2.645, 0.03537) [0.0982, 0.1302, 0.001742]\n", + " PeriodicSite: Li (3.164, 8.251, 4.986) [0.1558, 0.4062, 0.2455]\n", + " PeriodicSite: Li (7.224, 10.01, 17.0) [0.3556, 0.4929, 0.8369]\n", + " PeriodicSite: Li (12.15, 4.589, 6.654) [0.598, 0.2259, 0.3276]\n", + " PeriodicSite: Li (12.22, 0.1081, 18.62) [0.6014, 0.005319, 0.9165]\n", + " PeriodicSite: Li (11.45, 9.378, 12.34) [0.5638, 0.4617, 0.6076]\n", + " PeriodicSite: Li (9.751, 18.51, 18.55) [0.48, 0.9114, 0.9134]\n", + " PeriodicSite: Li (6.448, 1.415, 6.305) [0.3175, 0.06966, 0.3104]\n", + " PeriodicSite: Li (3.731, 19.92, 13.15) [0.1837, 0.9809, 0.6474]\n", + " PeriodicSite: Li (3.201, 10.42, 7.216) [0.1576, 0.5131, 0.3553]\n", + " PeriodicSite: Li (6.962, 9.977, 13.49) [0.3428, 0.4912, 0.664]\n", + " PeriodicSite: Li (11.8, 0.3073, 8.66) [0.5809, 0.01512, 0.4263]\n", + " PeriodicSite: Li (10.16, 2.135, 18.43) [0.5001, 0.1051, 0.9071]\n", + " PeriodicSite: Li (13.36, 15.27, 8.247) [0.6577, 0.7518, 0.406]\n", + " PeriodicSite: Li (12.75, 10.59, 19.57) [0.6279, 0.5216, 0.9636]\n", + " PeriodicSite: Li (0.5429, 3.154, 6.213) [0.02673, 0.1553, 0.3059]\n", + " PeriodicSite: Li (0.4757, 3.497, 17.07) [0.02342, 0.1721, 0.8403]\n", + " PeriodicSite: Li (1.968, 14.97, 6.945) [0.09691, 0.7368, 0.3419]\n", + " PeriodicSite: Li (4.273, 14.95, 18.33) [0.2103, 0.7358, 0.9023]\n", + " PeriodicSite: Li (12.95, 1.357, 5.35) [0.6373, 0.06681, 0.2634]\n", + " PeriodicSite: Li (14.9, 1.698, 17.01) [0.7335, 0.08358, 0.8373]\n", + " PeriodicSite: Li (11.61, 12.16, 10.54) [0.5715, 0.5985, 0.5188]\n", + " PeriodicSite: Li (16.01, 17.69, 19.77) [0.7884, 0.8709, 0.9731]\n", + " PeriodicSite: Li (6.604, 0.309, 3.527) [0.3251, 0.01521, 0.1736]\n", + " PeriodicSite: Li (0.1019, 18.53, 2.018) [0.005008, 0.9122, 0.09935]\n", + " PeriodicSite: Li (2.932, 14.62, 9.676) [0.1443, 0.7198, 0.4764]\n", + " PeriodicSite: Li (2.309, 16.32, 15.36) [0.1137, 0.8032, 0.756]\n", + " PeriodicSite: Li (14.65, 4.042, 8.203) [0.7213, 0.199, 0.4038]\n", + " PeriodicSite: Li (14.39, 4.654, 18.26) [0.7083, 0.2291, 0.8989]\n", + " PeriodicSite: Li (16.85, 15.28, 8.15) [0.8293, 0.7522, 0.4012]\n", + " PeriodicSite: Li (10.24, 12.9, 17.73) [0.504, 0.635, 0.8729]\n", + " PeriodicSite: Li (3.83, 2.255, 5.479) [0.1886, 0.111, 0.2697]\n", + " PeriodicSite: Li (1.917, 0.6084, 18.15) [0.09436, 0.02995, 0.8937]\n", + " PeriodicSite: Li (3.736, 12.42, 5.966) [0.1839, 0.6117, 0.2937]\n", + " PeriodicSite: Li (17.87, 14.51, 4.397) [0.8796, 0.7142, 0.2165]\n", + " PeriodicSite: Li (10.47, 2.407, 8.168) [0.5153, 0.1185, 0.4021]\n", + " PeriodicSite: Li (17.31, 0.4888, 15.82) [0.8523, 0.02406, 0.7788]\n", + " PeriodicSite: Li (13.33, 8.801, 6.091) [0.6562, 0.4333, 0.2999]\n", + " PeriodicSite: Li (14.74, 8.427, 16.86) [0.7256, 0.4148, 0.8299]\n", + " PeriodicSite: Li (3.743, 12.21, 15.3) [0.1843, 0.6013, 0.7532]\n", + " PeriodicSite: Li (2.233, 12.09, 10.06) [0.1099, 0.5953, 0.4953]\n", + " PeriodicSite: Li (1.785, 15.52, 3.444) [0.08785, 0.7643, 0.1695]\n", + " PeriodicSite: Li (0.2508, 2.059, 9.647) [0.01235, 0.1014, 0.475]\n", + " PeriodicSite: Li (11.53, 5.928, 3.251) [0.5675, 0.2918, 0.1601]\n", + " PeriodicSite: Li (12.45, 6.078, 14.5) [0.613, 0.2992, 0.7138]\n", + " PeriodicSite: Li (10.67, 12.71, 7.276) [0.5252, 0.6257, 0.3582]\n", + " PeriodicSite: Li (12.89, 19.52, 14.81) [0.6348, 0.9611, 0.7291]\n", + " PeriodicSite: Li (3.502, 7.303, 0.9887) [0.1724, 0.3595, 0.04867]\n", + " PeriodicSite: Li (3.029, 5.128, 11.33) [0.1491, 0.2524, 0.558]\n", + " PeriodicSite: Li (6.678, 17.25, 20.17) [0.3288, 0.8494, 0.993]\n", + " PeriodicSite: Li (3.91, 18.75, 15.86) [0.1925, 0.9231, 0.7806]\n", + " PeriodicSite: Li (13.73, 4.397, 1.464) [0.6759, 0.2165, 0.0721]\n", + " PeriodicSite: Li (10.61, 6.455, 12.47) [0.5222, 0.3178, 0.614]\n", + " PeriodicSite: Li (11.88, 15.83, 4.226) [0.5848, 0.7795, 0.2081]\n", + " PeriodicSite: Li (9.482, 16.64, 13.86) [0.4668, 0.8192, 0.6823]\n", + " PeriodicSite: Li (3.268, 9.893, 16.57) [0.1609, 0.487, 0.8158]\n", + " PeriodicSite: Li (4.731, 7.101, 11.06) [0.2329, 0.3496, 0.5444]\n", + " PeriodicSite: Li (4.763, 17.63, 2.464) [0.2345, 0.8677, 0.1213]\n", + " PeriodicSite: Li (2.213, 17.72, 10.62) [0.109, 0.8725, 0.5228]\n", + " PeriodicSite: Li (10.84, 9.222, 2.106) [0.5338, 0.454, 0.1037]\n", + " PeriodicSite: Li (14.77, 5.978, 12.51) [0.7271, 0.2943, 0.616]\n", + " PeriodicSite: Li (10.39, 17.43, 2.61) [0.5115, 0.858, 0.1285]\n", + " PeriodicSite: Li (13.54, 15.43, 11.57) [0.6667, 0.7597, 0.5695]\n", + " PeriodicSite: Li (20.24, 8.603, 1.741) [0.9964, 0.4235, 0.08572]\n", + " PeriodicSite: Li (17.28, 5.832, 9.309) [0.8509, 0.2871, 0.4583]\n", + " PeriodicSite: Li (2.931, 18.37, 4.959) [0.1443, 0.9046, 0.2442]\n", + " PeriodicSite: Li (0.5846, 19.36, 12.63) [0.02877, 0.9533, 0.6218]\n", + " PeriodicSite: Li (9.06, 7.075, 5.832) [0.446, 0.3483, 0.2871]\n", + " PeriodicSite: Li (13.11, 10.64, 16.26) [0.6454, 0.5237, 0.8006]\n", + " PeriodicSite: Li (14.46, 16.14, 2.312) [0.7119, 0.7945, 0.1138]\n", + " PeriodicSite: Li (12.77, 13.91, 15.85) [0.6285, 0.6848, 0.7803]\n", + " PeriodicSite: Li (6.432, 8.396, 4.386) [0.3167, 0.4133, 0.2159]\n", + " PeriodicSite: Li (20.08, 11.76, 12.02) [0.9886, 0.579, 0.5917]\n", + " PeriodicSite: Li (19.68, 16.92, 6.886) [0.9689, 0.8328, 0.339]\n", + " PeriodicSite: Li (6.893, 18.65, 15.06) [0.3393, 0.9182, 0.7416]\n", + " PeriodicSite: Li (17.1, 11.35, 3.958) [0.842, 0.5588, 0.1949]\n", + " PeriodicSite: Li (12.94, 6.763, 10.34) [0.6372, 0.333, 0.5088]\n", + " PeriodicSite: Li (13.0, 16.62, 0.1811) [0.6399, 0.8182, 0.008922]\n", + " PeriodicSite: Li (12.85, 19.27, 11.23) [0.6328, 0.9487, 0.553]\n", + " PeriodicSite: Li (5.065, 3.407, 18.74) [0.2493, 0.1677, 0.9227]\n", + " PeriodicSite: Li (3.776, 10.07, 13.21) [0.1859, 0.4957, 0.6502]\n", + " PeriodicSite: Li (3.346, 0.4825, 3.123) [0.1647, 0.02375, 0.1537]\n", + " PeriodicSite: Li (0.5214, 15.84, 12.92) [0.02567, 0.7798, 0.636]\n", + " PeriodicSite: Li (14.96, 8.729, 3.059) [0.7365, 0.4297, 0.1506]\n", + " PeriodicSite: Li (14.34, 8.772, 13.04) [0.7061, 0.4318, 0.6422]\n", + " PeriodicSite: Li (13.12, 18.78, 4.824) [0.6458, 0.9248, 0.2375]\n", + " PeriodicSite: Li (17.99, 4.556, 14.58) [0.8855, 0.2243, 0.7177]\n", + " PeriodicSite: Li (9.852, 3.411, 3.307) [0.485, 0.1679, 0.1628]\n", + " PeriodicSite: Li (9.572, 1.198, 11.7) [0.4712, 0.05896, 0.5761]\n", + " PeriodicSite: Li (6.297, 11.51, 3.872) [0.31, 0.5667, 0.1906]\n", + " PeriodicSite: Li (6.745, 12.17, 15.26) [0.3321, 0.5994, 0.7511]\n", + " PeriodicSite: Li (17.99, 3.755, 4.781) [0.8856, 0.1848, 0.2354]\n", + " PeriodicSite: Li (13.18, 3.489, 10.14) [0.649, 0.1717, 0.4992]\n", + " PeriodicSite: Li (20.28, 12.89, 2.554) [0.9982, 0.6345, 0.1258]\n", + " PeriodicSite: Li (17.27, 10.21, 12.7) [0.85, 0.5028, 0.6254]\n", + " PeriodicSite: Li (5.267, 18.96, 7.112) [0.2593, 0.9337, 0.3501]\n", + " PeriodicSite: Li (9.275, 3.714, 13.3) [0.4566, 0.1828, 0.6548]\n", + " PeriodicSite: Li (6.62, 13.35, 20.06) [0.3259, 0.6573, 0.9876]\n", + " PeriodicSite: Li (9.826, 13.02, 13.9) [0.4837, 0.641, 0.6844]\n", + " PeriodicSite: Li (14.81, 19.42, 2.737) [0.7292, 0.9563, 0.1347]\n", + " PeriodicSite: Li (18.18, 0.5162, 12.32) [0.895, 0.0254, 0.6065]\n", + " PeriodicSite: Li (17.43, 14.51, 0.1208) [0.8582, 0.7143, 0.005955]\n", + " PeriodicSite: Li (16.41, 14.4, 12.07) [0.8079, 0.7091, 0.5942]\n", + " PeriodicSite: Li (7.862, 3.592, 4.927) [0.3871, 0.1768, 0.2426]\n", + " PeriodicSite: Li (6.7, 0.3305, 12.99) [0.3299, 0.01627, 0.6397]\n", + " PeriodicSite: Li (10.04, 12.34, 1.867) [0.4944, 0.6075, 0.09191]\n", + " PeriodicSite: Li (5.779, 13.77, 12.02) [0.2845, 0.6781, 0.5916]\n", + " PeriodicSite: Li (20.13, 2.651, 2.509) [0.991, 0.1305, 0.1235]\n", + " PeriodicSite: Li (1.048, 8.053, 10.79) [0.0516, 0.3965, 0.5311]\n", + " PeriodicSite: Li (15.57, 13.4, 1.863) [0.7666, 0.6595, 0.09172]\n", + " PeriodicSite: Li (15.46, 12.04, 13.68) [0.7611, 0.5928, 0.6736]\n", + " PeriodicSite: Li (2.804, 0.2401, 7.327) [0.1381, 0.01182, 0.3607]\n", + " PeriodicSite: Li (6.934, 2.222, 14.58) [0.3414, 0.1094, 0.7176]\n", + " PeriodicSite: Li (4.238, 13.66, 1.475) [0.2086, 0.6726, 0.07263]\n", + " PeriodicSite: Li (8.374, 6.965, 15.42) [0.4122, 0.3429, 0.7592]\n", + " PeriodicSite: Li (16.96, 4.991, 1.887) [0.8352, 0.2457, 0.09293]\n", + " PeriodicSite: Li (15.28, 18.15, 13.73) [0.7524, 0.8936, 0.6759]\n", + " PeriodicSite: Li (13.46, 13.69, 19.81) [0.6626, 0.6741, 0.9753]\n", + " PeriodicSite: Li (17.75, 12.15, 10.42) [0.874, 0.5983, 0.5129]\n", + " PeriodicSite: Li (7.07, 6.723, 0.5737) [0.3481, 0.331, 0.02825]\n", + " PeriodicSite: Li (5.162, 2.924, 11.84) [0.2541, 0.144, 0.5828]\n", + " PeriodicSite: Li (7.49, 10.86, 0.962) [0.3687, 0.5345, 0.04736]\n", + " PeriodicSite: Li (8.038, 10.53, 10.97) [0.3957, 0.5186, 0.5402]\n", + " PeriodicSite: Li (15.31, 2.122, 3.019) [0.7536, 0.1045, 0.1486]\n", + " PeriodicSite: Li (15.61, 3.24, 11.08) [0.7684, 0.1595, 0.5455]\n", + " PeriodicSite: Li (1.961, 10.97, 19.37) [0.09655, 0.5402, 0.9536]\n", + " PeriodicSite: Li (18.7, 13.38, 14.86) [0.9208, 0.6585, 0.7315]\n", + " PeriodicSite: Li (8.173, 2.557, 0.9163) [0.4024, 0.1259, 0.04511]\n", + " PeriodicSite: Li (7.214, 2.877, 10.13) [0.3552, 0.1416, 0.4987]\n", + " PeriodicSite: Li (8.442, 13.34, 4.797) [0.4156, 0.6568, 0.2362]\n", + " PeriodicSite: Li (4.426, 16.69, 12.41) [0.2179, 0.8217, 0.6109]\n", + " PeriodicSite: Li (15.82, 2.796, 0.2651) [0.7787, 0.1376, 0.01305]\n", + " PeriodicSite: Li (1.894, 6.689, 14.49) [0.09322, 0.3293, 0.7134]\n", + " PeriodicSite: Li (4.999, 13.04, 9.167) [0.2461, 0.6418, 0.4513]\n", + " PeriodicSite: Li (14.8, 12.73, 9.522) [0.7287, 0.6267, 0.4688]\n", + " PeriodicSite: Li (14.52, 11.85, 6.764) [0.715, 0.5831, 0.333]\n", + " PeriodicSite: Li (5.575, 7.839, 15.86) [0.2745, 0.3859, 0.7808]\n", + " PeriodicSite: Li (7.466, 15.16, 9.331) [0.3676, 0.7463, 0.4594]\n", + " PeriodicSite: Li (2.33, 19.59, 0.65) [0.1147, 0.9646, 0.032]\n", + " PeriodicSite: Li (16.49, 9.548, 6.623) [0.8117, 0.47, 0.3261]\n", + " PeriodicSite: Li (2.916, 5.157, 18.66) [0.1435, 0.2539, 0.9189]\n", + " PeriodicSite: Li (17.3, 0.8635, 4.764) [0.8519, 0.0425, 0.2345]\n", + " PeriodicSite: Li (19.69, 18.06, 18.47) [0.9694, 0.8889, 0.9093]\n", + " PeriodicSite: Li (6.127, 9.867, 7.053) [0.3016, 0.4857, 0.3472]\n", + " PeriodicSite: Li (7.113, 5.663, 18.12) [0.3502, 0.2788, 0.8922]\n", + " PeriodicSite: Li (8.254, 19.79, 8.085) [0.4063, 0.9741, 0.398]\n", + " PeriodicSite: Li (8.851, 15.76, 17.06) [0.4357, 0.7761, 0.8398]\n", + " PeriodicSite: Li (18.62, 7.978, 10.13) [0.9167, 0.3928, 0.4989]\n", + " PeriodicSite: Li (18.51, 8.912, 19.66) [0.9113, 0.4388, 0.9678]\n", + " PeriodicSite: Li (17.88, 19.87, 7.883) [0.8804, 0.978, 0.3881]\n", + " PeriodicSite: Li (18.71, 16.95, 15.18) [0.921, 0.8344, 0.7473]\n", + " PeriodicSite: Li (6.563, 5.687, 8.568) [0.3231, 0.28, 0.4218]\n", + " PeriodicSite: Li (3.504, 1.701, 15.74) [0.1725, 0.08372, 0.7751]\n", + " PeriodicSite: Li (8.194, 18.27, 10.33) [0.4034, 0.8996, 0.5086]\n", + " PeriodicSite: Li (16.77, 11.26, 16.59) [0.8254, 0.5542, 0.8167]\n", + " PeriodicSite: Li (19.44, 9.132, 7.765) [0.957, 0.4496, 0.3823]\n", + " PeriodicSite: Li (17.5, 5.645, 19.18) [0.8613, 0.2779, 0.9442]\n", + " PeriodicSite: Li (16.01, 17.32, 9.729) [0.7879, 0.8527, 0.479]\n", + " PeriodicSite: Li (15.72, 15.23, 17.73) [0.7739, 0.7497, 0.8729]\n", + " PeriodicSite: Li (9.411, 8.251, 8.62) [0.4633, 0.4062, 0.4244]\n", + " PeriodicSite: Li (4.792, 4.036, 1.219) [0.2359, 0.1987, 0.06002]\n", + " PeriodicSite: Li (5.159, 16.68, 8.806) [0.254, 0.8211, 0.4335]\n", + " PeriodicSite: Li (7.053, 15.3, 2.037) [0.3472, 0.7533, 0.1003]\n", + " PeriodicSite: Li (15.68, 6.916, 7.931) [0.7721, 0.3405, 0.3905]\n", + " PeriodicSite: Li (20.29, 7.081, 16.99) [0.999, 0.3486, 0.8363]\n", + " PeriodicSite: Li (15.99, 18.16, 6.295) [0.787, 0.894, 0.3099]\n", + " PeriodicSite: Li (15.34, 18.3, 16.92) [0.7554, 0.9009, 0.8332]\n", + " PeriodicSite: Li (7.331, 4.955, 11.98) [0.3609, 0.244, 0.5899]\n", + " PeriodicSite: Li (4.938, 7.445, 18.43) [0.2431, 0.3665, 0.9072]\n", + " PeriodicSite: Li (7.848, 17.13, 5.636) [0.3863, 0.8434, 0.2775]\n", + " PeriodicSite: Li (11.77, 20.06, 1.906) [0.5795, 0.9878, 0.09385]\n", + " PeriodicSite: Li (18.03, 6.897, 5.316) [0.8877, 0.3395, 0.2617]\n", + " PeriodicSite: Li (13.42, 6.756, 20.31) [0.6606, 0.3326, 0.9997]\n", + " PeriodicSite: Li (19.31, 18.0, 10.0) [0.9508, 0.886, 0.4924]\n", + " PeriodicSite: Li (18.08, 0.4555, 1.295) [0.89, 0.02242, 0.06377]\n", + " PeriodicSite: Li (3.076, 10.64, 3.208) [0.1514, 0.5237, 0.1579]\n", + " PeriodicSite: Li (9.56, 8.387, 19.12) [0.4707, 0.4129, 0.9412]\n", + " PeriodicSite: Li (10.29, 17.27, 7.893) [0.5066, 0.8501, 0.3886]\n", + " PeriodicSite: Li (6.86, 0.3982, 17.2) [0.3377, 0.0196, 0.8467]\n", + " PeriodicSite: Li (19.84, 5.591, 7.78) [0.977, 0.2753, 0.383]\n", + " PeriodicSite: Li (18.51, 11.8, 0.7133) [0.9111, 0.5811, 0.03512]\n", + " PeriodicSite: Li (3.01, 16.18, 1.006) [0.1482, 0.7967, 0.04955]\n", + " PeriodicSite: Li (15.36, 1.336, 13.45) [0.7561, 0.06578, 0.6621]\n", + " PeriodicSite: Cl (7.586, 12.27, 12.87) [0.3734, 0.6041, 0.6334]\n", + " PeriodicSite: Cl (2.876, 12.37, 17.58) [0.1416, 0.6088, 0.8656]\n", + " PeriodicSite: Cl (12.93, 17.78, 12.89) [0.6365, 0.8752, 0.6347]\n", + " PeriodicSite: Cl (17.9, 7.615, 17.33) [0.8811, 0.3749, 0.8531]\n", + " PeriodicSite: Cl (7.819, 2.271, 3.213) [0.3849, 0.1118, 0.1582]\n", + " PeriodicSite: Cl (7.154, 7.817, 7.672) [0.3522, 0.3848, 0.3777]\n", + " PeriodicSite: Cl (12.91, 12.46, 8.237) [0.6356, 0.6134, 0.4055]\n", + " PeriodicSite: Cl (2.189, 8.084, 2.765) [0.1078, 0.398, 0.1361]\n", + " PeriodicSite: Cl (2.717, 7.379, 12.4) [0.1338, 0.3633, 0.6104]\n", + " PeriodicSite: Cl (12.34, 12.53, 17.62) [0.6075, 0.6167, 0.8675]\n", + " PeriodicSite: Cl (17.53, 18.03, 17.51) [0.8628, 0.8876, 0.8622]\n", + " PeriodicSite: Cl (2.343, 2.634, 7.696) [0.1154, 0.1297, 0.3789]\n", + " PeriodicSite: Cl (12.61, 2.296, 17.58) [0.621, 0.113, 0.8656]\n", + " PeriodicSite: Cl (12.82, 7.722, 2.262) [0.6309, 0.3802, 0.1114]\n", + " PeriodicSite: Cl (17.29, 2.556, 12.99) [0.8513, 0.1258, 0.6397]\n", + " PeriodicSite: Cl (7.87, 18.12, 17.21) [0.3875, 0.8922, 0.8475]\n", + " PeriodicSite: Cl (0.1241, 0.4487, 0.5236) [0.00611, 0.02209, 0.02578]\n", + " PeriodicSite: Cl (20.27, 20.04, 10.52) [0.998, 0.9866, 0.5181]\n", + " PeriodicSite: Cl (20.18, 10.32, 0.2785) [0.9935, 0.5078, 0.01372]\n", + " PeriodicSite: Cl (20.03, 10.02, 10.3) [0.9861, 0.4931, 0.5071]\n", + " PeriodicSite: Cl (10.35, 0.2829, 19.97) [0.5095, 0.01392, 0.983]\n", + " PeriodicSite: Cl (9.88, 0.02316, 9.72) [0.4864, 0.001136, 0.4785]\n", + " PeriodicSite: Cl (10.18, 10.24, 0.1912) [0.5013, 0.5043, 0.009417]\n", + " PeriodicSite: Cl (10.18, 10.13, 10.46) [0.5013, 0.4986, 0.5148]\n", + " PeriodicSite: Cl (19.69, 5.306, 5.249) [0.9692, 0.2612, 0.2584]\n", + " PeriodicSite: Cl (0.1739, 5.156, 15.29) [0.008565, 0.2539, 0.7525]\n", + " PeriodicSite: Cl (0.1743, 15.39, 5.223) [0.008576, 0.7576, 0.2571]\n", + " PeriodicSite: Cl (0.1073, 15.18, 15.47) [0.005279, 0.7472, 0.7617]\n", + " PeriodicSite: Cl (10.07, 4.859, 5.157) [0.496, 0.2392, 0.2539]\n", + " PeriodicSite: Cl (10.26, 5.41, 14.74) [0.5049, 0.2663, 0.7258]\n", + " PeriodicSite: Cl (9.495, 15.4, 5.242) [0.4674, 0.7579, 0.2581]\n", + " PeriodicSite: Cl (10.35, 15.07, 15.26) [0.5094, 0.7418, 0.7513]\n", + " PeriodicSite: S (4.847, 20.24, 5.215) [0.2386, 0.9963, 0.2567]\n", + " PeriodicSite: S (5.369, 0.0713, 15.01) [0.2643, 0.003509, 0.7392]\n", + " PeriodicSite: S (4.839, 10.13, 5.314) [0.2382, 0.4987, 0.2616]\n", + " PeriodicSite: S (5.197, 10.13, 15.25) [0.2558, 0.4987, 0.751]\n", + " PeriodicSite: S (14.89, 0.1599, 4.911) [0.7332, 0.007867, 0.2418]\n", + " PeriodicSite: S (14.98, 20.24, 15.28) [0.7373, 0.9964, 0.7522]\n", + " PeriodicSite: S (15.01, 10.12, 4.918) [0.739, 0.498, 0.2421]\n", + " PeriodicSite: S (15.2, 9.926, 15.17) [0.7482, 0.4887, 0.7469]\n", + " PeriodicSite: S (5.14, 5.527, 19.72) [0.2531, 0.2721, 0.9706]\n", + " PeriodicSite: S (5.252, 4.979, 10.3) [0.2586, 0.2451, 0.5072]\n", + " PeriodicSite: S (5.144, 15.44, 0.2584) [0.2533, 0.7603, 0.01272]\n", + " PeriodicSite: S (5.195, 15.22, 10.4) [0.2558, 0.7494, 0.5118]\n", + " PeriodicSite: S (15.36, 5.117, 0.1882) [0.7563, 0.2519, 0.009271]\n", + " PeriodicSite: S (14.96, 5.285, 10.09) [0.7364, 0.2602, 0.4967]\n", + " PeriodicSite: S (15.18, 15.16, 20.28) [0.7475, 0.7464, 0.9985]\n", + " PeriodicSite: S (15.3, 14.98, 10.05) [0.7533, 0.7375, 0.4946]\n", + " PeriodicSite: S (8.759, 3.808, 8.656) [0.4312, 0.1875, 0.4262]\n", + " PeriodicSite: S (8.87, 4.057, 19.57) [0.4367, 0.1998, 0.9635]\n", + " PeriodicSite: S (9.696, 14.08, 9.133) [0.4773, 0.693, 0.4496]\n", + " PeriodicSite: S (8.752, 14.16, 19.09) [0.4309, 0.6972, 0.9397]\n", + " PeriodicSite: S (19.22, 3.862, 9.418) [0.946, 0.1901, 0.4636]\n", + " PeriodicSite: S (19.57, 4.031, 19.09) [0.9637, 0.1984, 0.9397]\n", + " PeriodicSite: S (18.95, 13.74, 9.035) [0.933, 0.6762, 0.4448]\n", + " PeriodicSite: S (19.31, 13.66, 18.94) [0.9509, 0.6725, 0.9325]\n", + " PeriodicSite: S (3.733, 1.531, 0.9815) [0.1838, 0.07535, 0.04832]\n", + " PeriodicSite: S (3.726, 1.034, 10.81) [0.1834, 0.05092, 0.5322]\n", + " PeriodicSite: S (3.694, 11.44, 1.025) [0.1819, 0.5632, 0.05045]\n", + " PeriodicSite: S (4.231, 11.71, 11.21) [0.2083, 0.5766, 0.552]\n", + " PeriodicSite: S (13.83, 1.218, 0.9289) [0.6811, 0.05995, 0.04573]\n", + " PeriodicSite: S (13.98, 1.272, 11.05) [0.688, 0.06263, 0.5439]\n", + " PeriodicSite: S (14.18, 11.54, 0.8961) [0.698, 0.5681, 0.04412]\n", + " PeriodicSite: S (14.05, 11.09, 11.14) [0.6919, 0.5461, 0.5485]\n", + " PeriodicSite: S (6.128, 1.061, 8.707) [0.3017, 0.05221, 0.4287]\n", + " PeriodicSite: S (6.452, 1.527, 19.32) [0.3176, 0.07518, 0.9509]\n", + " PeriodicSite: S (6.604, 11.19, 8.969) [0.3251, 0.5509, 0.4415]\n", + " PeriodicSite: S (6.317, 10.99, 19.25) [0.311, 0.541, 0.9479]\n", + " PeriodicSite: S (16.36, 1.291, 8.74) [0.8053, 0.06356, 0.4303]\n", + " PeriodicSite: S (16.37, 1.159, 19.09) [0.8058, 0.05706, 0.9399]\n", + " PeriodicSite: S (16.23, 11.01, 8.673) [0.7992, 0.5419, 0.427]\n", + " PeriodicSite: S (16.88, 11.08, 19.15) [0.8308, 0.5455, 0.9426]\n", + " PeriodicSite: S (1.43, 4.544, 1.404) [0.0704, 0.2237, 0.0691]\n", + " PeriodicSite: S (0.9637, 3.679, 11.83) [0.04745, 0.1811, 0.5825]\n", + " PeriodicSite: S (1.406, 14.29, 1.211) [0.06922, 0.7033, 0.05962]\n", + " PeriodicSite: S (1.154, 13.95, 11.37) [0.0568, 0.687, 0.5597]\n", + " PeriodicSite: S (11.25, 3.997, 1.437) [0.554, 0.1968, 0.07073]\n", + " PeriodicSite: S (10.95, 3.892, 11.31) [0.5392, 0.1916, 0.5566]\n", + " PeriodicSite: S (11.26, 14.52, 1.044) [0.5543, 0.715, 0.05142]\n", + " PeriodicSite: S (11.36, 14.18, 11.97) [0.5595, 0.6983, 0.5894]\n", + " PeriodicSite: S (2.551, 2.87, 17.89) [0.1256, 0.1413, 0.8805]\n", + " PeriodicSite: S (2.469, 12.88, 7.852) [0.1215, 0.6341, 0.3866]\n", + " PeriodicSite: S (12.86, 2.548, 7.698) [0.6332, 0.1255, 0.379]\n", + " PeriodicSite: S (8.929, 8.821, 4.067) [0.4396, 0.4343, 0.2002]\n", + " PeriodicSite: S (9.108, 8.972, 13.96) [0.4484, 0.4417, 0.6872]\n", + " PeriodicSite: S (9.065, 18.74, 3.886) [0.4463, 0.9226, 0.1913]\n", + " PeriodicSite: S (8.907, 19.48, 13.73) [0.4385, 0.959, 0.6759]\n", + " PeriodicSite: S (19.05, 8.824, 3.972) [0.9378, 0.4344, 0.1956]\n", + " PeriodicSite: S (19.05, 9.178, 13.82) [0.9378, 0.4519, 0.6804]\n", + " PeriodicSite: S (19.16, 19.8, 3.686) [0.9434, 0.9746, 0.1815]\n", + " PeriodicSite: S (19.13, 19.39, 14.32) [0.9418, 0.9548, 0.7049]\n", + " PeriodicSite: S (3.372, 5.701, 5.477) [0.166, 0.2807, 0.2696]\n", + " PeriodicSite: S (3.827, 6.022, 16.31) [0.1884, 0.2965, 0.803]\n", + " PeriodicSite: S (4.044, 16.41, 6.363) [0.1991, 0.8078, 0.3133]\n", + " PeriodicSite: S (4.17, 16.56, 16.65) [0.2053, 0.8152, 0.8195]\n", + " PeriodicSite: S (13.98, 6.431, 6.295) [0.6883, 0.3166, 0.3099]\n", + " PeriodicSite: S (13.97, 6.259, 16.56) [0.6878, 0.3081, 0.8152]\n", + " PeriodicSite: S (13.9, 16.46, 6.397) [0.6845, 0.8105, 0.3149]\n", + " PeriodicSite: S (14.03, 16.23, 16.26) [0.6908, 0.7989, 0.8004]\n", + " PeriodicSite: S (6.686, 5.984, 3.955) [0.3291, 0.2946, 0.1947]\n", + " PeriodicSite: S (6.184, 6.33, 13.87) [0.3045, 0.3116, 0.6829]\n", + " PeriodicSite: S (6.053, 16.41, 3.967) [0.298, 0.8078, 0.1953]\n", + " PeriodicSite: S (6.385, 16.62, 14.01) [0.3144, 0.8181, 0.6895]\n", + " PeriodicSite: S (16.23, 6.426, 3.705) [0.7989, 0.3164, 0.1824]\n", + " PeriodicSite: S (16.34, 6.301, 14.1) [0.8042, 0.3102, 0.6942]\n", + " PeriodicSite: S (16.48, 16.36, 4.174) [0.8112, 0.8055, 0.2055]\n", + " PeriodicSite: S (16.67, 16.16, 14.16) [0.8207, 0.7954, 0.6969]\n", + " PeriodicSite: S (1.19, 9.068, 6.351) [0.05859, 0.4464, 0.3127]\n", + " PeriodicSite: S (1.361, 8.8, 15.79) [0.06698, 0.4332, 0.7772]\n", + " PeriodicSite: S (1.103, 19.09, 6.289) [0.05431, 0.9397, 0.3096]\n", + " PeriodicSite: S (1.094, 19.1, 16.9) [0.05386, 0.9404, 0.8318]\n", + " PeriodicSite: S (11.04, 8.921, 6.477) [0.5435, 0.4392, 0.3189]\n", + " PeriodicSite: S (11.18, 8.859, 16.71) [0.5506, 0.4361, 0.8226]\n", + " PeriodicSite: S (11.29, 19.22, 6.536) [0.556, 0.9463, 0.3218]\n", + " PeriodicSite: S (11.04, 19.08, 16.4) [0.5437, 0.9395, 0.8073]\n", + " PeriodicSite: S (2.54, 18.16, 2.584) [0.125, 0.8939, 0.1272]\n", + " PeriodicSite: S (2.385, 17.8, 12.96) [0.1174, 0.8761, 0.6382]\n", + " PeriodicSite: S (12.66, 7.312, 12.66) [0.6233, 0.36, 0.6232]\n", + " PeriodicSite: S (12.81, 17.74, 2.587) [0.6307, 0.8734, 0.1273]\n", + " PeriodicSite: S (4.503, 3.459, 3.436) [0.2217, 0.1703, 0.1692]\n", + " PeriodicSite: S (3.997, 3.711, 13.79) [0.1968, 0.1827, 0.6787]\n", + " PeriodicSite: S (3.565, 13.92, 4.002) [0.1755, 0.6851, 0.197]\n", + " PeriodicSite: S (3.904, 14.3, 14.21) [0.1922, 0.7041, 0.6998]\n", + " PeriodicSite: S (13.63, 4.088, 3.926) [0.6711, 0.2012, 0.1933]\n", + " PeriodicSite: S (14.04, 3.961, 14.03) [0.6911, 0.195, 0.6906]\n", + " PeriodicSite: S (13.81, 14.2, 3.836) [0.6801, 0.699, 0.1889]\n", + " PeriodicSite: S (14.25, 13.93, 13.73) [0.7015, 0.6859, 0.6762]\n", + " PeriodicSite: S (8.668, 0.7888, 6.316) [0.4268, 0.03883, 0.3109]\n", + " PeriodicSite: S (9.06, 1.57, 16.09) [0.446, 0.07727, 0.7923]\n", + " PeriodicSite: S (8.922, 11.52, 6.091) [0.4392, 0.567, 0.2999]\n", + " PeriodicSite: S (8.833, 11.39, 16.15) [0.4349, 0.5608, 0.7953]\n", + " PeriodicSite: S (19.28, 1.349, 6.46) [0.9492, 0.06641, 0.318]\n", + " PeriodicSite: S (19.36, 1.655, 16.53) [0.953, 0.08146, 0.8138]\n", + " PeriodicSite: S (18.64, 10.96, 6.362) [0.9177, 0.5395, 0.3132]\n", + " PeriodicSite: S (19.46, 11.4, 16.28) [0.9582, 0.5612, 0.8017]\n", + " PeriodicSite: S (1.562, 1.486, 4.463) [0.07688, 0.07315, 0.2197]\n", + " PeriodicSite: S (1.564, 1.02, 14.31) [0.07703, 0.0502, 0.7044]\n", + " PeriodicSite: S (1.061, 11.52, 4.274) [0.05225, 0.5672, 0.2104]\n", + " PeriodicSite: S (1.421, 11.37, 13.85) [0.06995, 0.5596, 0.6819]\n", + " PeriodicSite: S (11.19, 1.013, 4.057) [0.5509, 0.04984, 0.1997]\n", + " PeriodicSite: S (11.51, 0.9259, 13.83) [0.5665, 0.04558, 0.6808]\n", + " PeriodicSite: S (11.11, 11.22, 3.701) [0.5471, 0.5523, 0.1822]\n", + " PeriodicSite: S (11.56, 11.15, 14.07) [0.5691, 0.5487, 0.6925]\n", + " PeriodicSite: S (6.103, 3.861, 6.433) [0.3005, 0.1901, 0.3167]\n", + " PeriodicSite: S (6.446, 3.97, 16.17) [0.3173, 0.1955, 0.7959]\n", + " PeriodicSite: S (6.194, 13.72, 6.123) [0.3049, 0.6754, 0.3014]\n", + " PeriodicSite: S (6.563, 14.39, 16.19) [0.3231, 0.7083, 0.7973]\n", + " PeriodicSite: S (16.19, 4.048, 6.196) [0.797, 0.1993, 0.305]\n", + " PeriodicSite: S (16.1, 3.93, 16.55) [0.7925, 0.1935, 0.8149]\n", + " PeriodicSite: S (15.92, 13.8, 6.265) [0.784, 0.6794, 0.3084]\n", + " PeriodicSite: S (16.51, 13.69, 16.11) [0.8129, 0.6738, 0.7934]\n", + " PeriodicSite: S (7.528, 2.478, 12.39) [0.3706, 0.122, 0.61]\n", + " PeriodicSite: S (7.635, 12.85, 2.404) [0.3759, 0.6324, 0.1184]\n", + " PeriodicSite: S (17.7, 2.571, 2.782) [0.8712, 0.1266, 0.137]\n", + " PeriodicSite: S (17.82, 13.03, 2.419) [0.8774, 0.6417, 0.1191]\n", + " PeriodicSite: S (17.72, 12.61, 12.66) [0.8726, 0.6206, 0.6231]\n", + " PeriodicSite: S (3.745, 8.916, 9.415) [0.1844, 0.439, 0.4635]\n", + " PeriodicSite: S (3.455, 9.198, 19.2) [0.1701, 0.4528, 0.9452]\n", + " PeriodicSite: S (3.723, 18.7, 8.806) [0.1833, 0.9208, 0.4335]\n", + " PeriodicSite: S (3.752, 19.43, 18.97) [0.1847, 0.9564, 0.9341]\n", + " PeriodicSite: S (13.78, 8.789, 8.967) [0.6783, 0.4327, 0.4415]\n", + " PeriodicSite: S (14.13, 8.942, 19.12) [0.6955, 0.4402, 0.9411]\n", + " PeriodicSite: S (14.03, 19.06, 9.06) [0.6907, 0.9382, 0.446]\n", + " PeriodicSite: S (14.09, 18.87, 19.12) [0.6938, 0.9292, 0.9415]\n", + " PeriodicSite: S (8.885, 6.287, 1.901) [0.4374, 0.3095, 0.09359]\n", + " PeriodicSite: S (8.881, 6.369, 11.11) [0.4372, 0.3135, 0.5467]\n", + " PeriodicSite: S (8.749, 16.63, 1.276) [0.4307, 0.8189, 0.06281]\n", + " PeriodicSite: S (9.043, 16.36, 11.38) [0.4452, 0.8055, 0.5603]\n", + " PeriodicSite: S (19.03, 6.605, 0.7372) [0.9367, 0.3252, 0.0363]\n", + " PeriodicSite: S (19.51, 6.501, 11.68) [0.9603, 0.3201, 0.5751]\n", + " PeriodicSite: S (19.36, 16.64, 0.08702) [0.9532, 0.819, 0.004291]\n", + " PeriodicSite: S (19.11, 16.24, 11.33) [0.9407, 0.7997, 0.5576]\n", + " PeriodicSite: S (1.396, 6.115, 9.236) [0.06874, 0.3011, 0.4547]\n", + " PeriodicSite: S (1.366, 6.755, 19.28) [0.06725, 0.3326, 0.9493]\n", + " PeriodicSite: S (1.039, 16.32, 8.858) [0.05116, 0.8033, 0.4361]\n", + " PeriodicSite: S (1.669, 15.8, 18.61) [0.08218, 0.7777, 0.9163]\n", + " PeriodicSite: S (11.17, 6.123, 8.651) [0.5498, 0.3014, 0.4259]\n", + " PeriodicSite: S (11.16, 6.587, 19.74) [0.5496, 0.3243, 0.9719]\n", + " PeriodicSite: S (11.98, 16.53, 9.727) [0.5898, 0.814, 0.4788]\n", + " PeriodicSite: S (11.05, 16.48, 18.98) [0.544, 0.8114, 0.9344]\n", + " PeriodicSite: S (5.891, 8.789, 1.443) [0.29, 0.4327, 0.07106]\n", + " PeriodicSite: S (6.265, 8.785, 11.28) [0.3084, 0.4325, 0.5555]\n", + " PeriodicSite: S (5.877, 19.44, 1.182) [0.2893, 0.9569, 0.05818]\n", + " PeriodicSite: S (5.91, 19.14, 11.22) [0.291, 0.9422, 0.5525]\n", + " PeriodicSite: S (16.69, 9.032, 1.32) [0.8215, 0.4446, 0.06498]\n", + " PeriodicSite: S (16.27, 8.493, 11.22) [0.8012, 0.4181, 0.5522]\n", + " PeriodicSite: S (16.48, 19.16, 1.157) [0.8112, 0.9431, 0.05697]\n", + " PeriodicSite: S (16.44, 19.31, 11.35) [0.8092, 0.9508, 0.5586]\n", + " PeriodicSite: S (7.462, 7.797, 17.41) [0.3674, 0.3839, 0.8573]\n", + " PeriodicSite: S (7.505, 17.41, 8.114) [0.3695, 0.8572, 0.3994]\n", + " PeriodicSite: S (17.98, 7.346, 8.04) [0.8851, 0.3616, 0.3958]\n", + " PeriodicSite: S (17.6, 17.61, 8.177) [0.8667, 0.867, 0.4026]\n", + " PeriodicSite: P (4.987, 0.3576, 20.24) [0.2455, 0.0176, 0.9962]\n", + " PeriodicSite: P (4.794, 20.07, 9.829) [0.236, 0.988, 0.4839]\n", + " PeriodicSite: P (4.888, 10.11, 0.07138) [0.2406, 0.4975, 0.003516]\n", + " PeriodicSite: P (5.231, 10.14, 10.17) [0.2575, 0.4992, 0.5008]\n", + " PeriodicSite: P (15.24, 0.007112, 20.13) [0.7505, 0.0003447, 0.9913]\n", + " PeriodicSite: P (15.18, 0.03519, 9.942) [0.7471, 0.001726, 0.4895]\n", + " PeriodicSite: P (15.56, 10.09, 20.2) [0.7661, 0.497, 0.9947]\n", + " PeriodicSite: P (15.12, 9.806, 10.01) [0.7442, 0.4827, 0.4928]\n", + " PeriodicSite: P (5.202, 4.858, 4.755) [0.2561, 0.2391, 0.2341]\n", + " PeriodicSite: P (5.024, 4.933, 15.03) [0.2474, 0.2429, 0.74]\n", + " PeriodicSite: P (5.074, 15.08, 5.14) [0.2498, 0.7423, 0.253]\n", + " PeriodicSite: P (5.223, 15.49, 15.23) [0.2571, 0.7628, 0.7498]\n", + " PeriodicSite: P (15.04, 5.299, 4.918) [0.7405, 0.2609, 0.2421]\n", + " PeriodicSite: P (15.1, 5.117, 15.34) [0.7434, 0.2519, 0.7551]\n", + " PeriodicSite: P (15.06, 15.27, 5.205) [0.7413, 0.752, 0.2563]\n", + " PeriodicSite: P (15.34, 14.98, 15.12) [0.7552, 0.7375, 0.7446]\n", + " PeriodicSite: P (0.08757, 0.132, 5.233) [0.004313, 0.006499, 0.2576]\n", + " PeriodicSite: P (0.1872, 0.2029, 15.64) [0.009222, 0.009991, 0.7698]\n", + " PeriodicSite: P (20.16, 10.08, 5.109) [0.9923, 0.4963, 0.2515]\n", + " PeriodicSite: P (0.001173, 10.21, 14.97) [5.715e-05, 0.5026, 0.7368]\n", + " PeriodicSite: P (9.997, 20.13, 5.15) [0.4922, 0.9909, 0.2535]\n", + " PeriodicSite: P (10.07, 0.102, 15.19) [0.4956, 0.005019, 0.7477]\n", + " PeriodicSite: P (10.05, 10.19, 5.139) [0.4948, 0.5014, 0.253]\n", + " PeriodicSite: P (10.23, 10.08, 15.25) [0.5039, 0.4961, 0.7506]\n", + " PeriodicSite: P (0.2285, 5.454, 20.25) [0.01125, 0.2685, 0.9969]\n", + " PeriodicSite: P (0.0569, 5.1, 10.63) [0.002802, 0.2511, 0.5232]\n", + " PeriodicSite: P (0.2653, 15.13, 19.82) [0.01306, 0.7451, 0.9757]\n", + " PeriodicSite: P (20.17, 14.99, 10.09) [0.9932, 0.7377, 0.497]\n", + " PeriodicSite: P (10.03, 5.351, 0.5035) [0.4937, 0.2634, 0.02479]\n", + " PeriodicSite: P (9.952, 4.97, 9.957) [0.4899, 0.2447, 0.4902]\n", + " PeriodicSite: P (9.905, 15.4, 20.28) [0.4876, 0.7584, 0.9982]\n", + " PeriodicSite: P (10.57, 15.31, 10.51) [0.5202, 0.7537, 0.5174],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.23, 5.729, 3.598) [0.1098, 0.2821, 0.1771]\n", + " PeriodicSite: Li (0.6743, 3.391, 14.19) [0.0332, 0.1669, 0.6985]\n", + " PeriodicSite: Li (0.2837, 12.96, 7.104) [0.01396, 0.638, 0.3497]\n", + " PeriodicSite: Li (0.3143, 13.33, 16.78) [0.01547, 0.6561, 0.8263]\n", + " PeriodicSite: Li (15.49, 1.331, 7.006) [0.7624, 0.06551, 0.3449]\n", + " PeriodicSite: Li (13.14, 1.754, 14.99) [0.6468, 0.08636, 0.738]\n", + " PeriodicSite: Li (13.77, 10.81, 3.151) [0.678, 0.532, 0.1551]\n", + " PeriodicSite: Li (17.45, 8.196, 15.07) [0.8591, 0.4035, 0.742]\n", + " PeriodicSite: Li (4.49, 3.056, 8.651) [0.2211, 0.1505, 0.4259]\n", + " PeriodicSite: Li (1.077, 2.738, 19.72) [0.05303, 0.1348, 0.9707]\n", + " PeriodicSite: Li (3.135, 8.218, 5.356) [0.1543, 0.4046, 0.2637]\n", + " PeriodicSite: Li (6.516, 9.996, 17.34) [0.3208, 0.4921, 0.8535]\n", + " PeriodicSite: Li (11.54, 4.473, 7.244) [0.5681, 0.2202, 0.3566]\n", + " PeriodicSite: Li (11.89, 0.01324, 18.26) [0.5851, 0.000648, 0.8992]\n", + " PeriodicSite: Li (10.91, 9.199, 12.28) [0.537, 0.4529, 0.6046]\n", + " PeriodicSite: Li (9.598, 18.74, 18.63) [0.4725, 0.9225, 0.9171]\n", + " PeriodicSite: Li (6.452, 1.328, 5.718) [0.3176, 0.06539, 0.2815]\n", + " PeriodicSite: Li (4.331, 19.13, 13.08) [0.2132, 0.9417, 0.6438]\n", + " PeriodicSite: Li (2.655, 10.26, 6.496) [0.1307, 0.5053, 0.3198]\n", + " PeriodicSite: Li (7.184, 9.864, 13.73) [0.3537, 0.4856, 0.6761]\n", + " PeriodicSite: Li (13.0, 20.15, 6.956) [0.6401, 0.9922, 0.3425]\n", + " PeriodicSite: Li (10.36, 2.562, 18.3) [0.5101, 0.1261, 0.9008]\n", + " PeriodicSite: Li (13.34, 15.19, 8.11) [0.6566, 0.7476, 0.3993]\n", + " PeriodicSite: Li (12.31, 10.25, 19.06) [0.6058, 0.5047, 0.9382]\n", + " PeriodicSite: Li (1.243, 3.678, 6.181) [0.06118, 0.1811, 0.3043]\n", + " PeriodicSite: Li (0.04026, 3.345, 17.06) [0.001985, 0.1647, 0.8397]\n", + " PeriodicSite: Li (2.31, 14.54, 6.626) [0.1137, 0.7156, 0.3262]\n", + " PeriodicSite: Li (4.367, 14.82, 18.24) [0.215, 0.7294, 0.8979]\n", + " PeriodicSite: Li (12.79, 1.901, 5.275) [0.6295, 0.09357, 0.2597]\n", + " PeriodicSite: Li (15.09, 1.708, 17.01) [0.7427, 0.0841, 0.8375]\n", + " PeriodicSite: Li (12.16, 11.72, 10.36) [0.5987, 0.577, 0.51]\n", + " PeriodicSite: Li (16.94, 17.24, 20.12) [0.8341, 0.8487, 0.9905]\n", + " PeriodicSite: Li (6.547, 0.2833, 3.429) [0.3223, 0.01394, 0.1688]\n", + " PeriodicSite: Li (0.2755, 18.56, 2.051) [0.01355, 0.914, 0.101]\n", + " PeriodicSite: Li (2.831, 14.64, 9.34) [0.1394, 0.7208, 0.4598]\n", + " PeriodicSite: Li (2.53, 16.54, 14.85) [0.1245, 0.8145, 0.7311]\n", + " PeriodicSite: Li (14.35, 4.022, 7.688) [0.7066, 0.198, 0.3785]\n", + " PeriodicSite: Li (14.67, 4.611, 18.4) [0.722, 0.227, 0.9061]\n", + " PeriodicSite: Li (17.23, 15.44, 8.15) [0.848, 0.76, 0.4012]\n", + " PeriodicSite: Li (10.36, 13.89, 17.15) [0.5098, 0.684, 0.8444]\n", + " PeriodicSite: Li (3.497, 2.051, 5.371) [0.1722, 0.101, 0.2644]\n", + " PeriodicSite: Li (2.618, 0.5088, 18.24) [0.1289, 0.02505, 0.898]\n", + " PeriodicSite: Li (4.0, 12.34, 5.756) [0.1969, 0.6077, 0.2834]\n", + " PeriodicSite: Li (17.34, 14.35, 4.402) [0.8536, 0.7065, 0.2167]\n", + " PeriodicSite: Li (10.5, 1.756, 8.267) [0.517, 0.08645, 0.407]\n", + " PeriodicSite: Li (17.6, 20.3, 16.0) [0.8664, 0.9992, 0.7876]\n", + " PeriodicSite: Li (13.16, 8.99, 5.908) [0.6478, 0.4426, 0.2908]\n", + " PeriodicSite: Li (15.46, 8.128, 17.03) [0.7612, 0.4001, 0.8386]\n", + " PeriodicSite: Li (3.411, 12.17, 15.05) [0.1679, 0.599, 0.7407]\n", + " PeriodicSite: Li (1.987, 11.73, 9.917) [0.09781, 0.5775, 0.4882]\n", + " PeriodicSite: Li (1.569, 16.21, 3.731) [0.07722, 0.7983, 0.1837]\n", + " PeriodicSite: Li (1.472, 2.092, 9.865) [0.07245, 0.103, 0.4857]\n", + " PeriodicSite: Li (11.01, 6.366, 2.953) [0.5421, 0.3134, 0.1454]\n", + " PeriodicSite: Li (11.95, 6.739, 14.83) [0.5884, 0.3318, 0.7303]\n", + " PeriodicSite: Li (10.47, 12.55, 7.298) [0.5153, 0.618, 0.3593]\n", + " PeriodicSite: Li (12.91, 19.53, 14.76) [0.6358, 0.9613, 0.7264]\n", + " PeriodicSite: Li (3.161, 6.54, 0.4204) [0.1556, 0.322, 0.0207]\n", + " PeriodicSite: Li (3.092, 5.088, 11.23) [0.1522, 0.2505, 0.5528]\n", + " PeriodicSite: Li (6.784, 17.28, 19.88) [0.334, 0.8507, 0.9786]\n", + " PeriodicSite: Li (3.544, 19.06, 15.55) [0.1745, 0.9382, 0.7657]\n", + " PeriodicSite: Li (13.46, 3.967, 0.9803) [0.6627, 0.1953, 0.04827]\n", + " PeriodicSite: Li (10.77, 6.03, 12.37) [0.53, 0.2969, 0.6092]\n", + " PeriodicSite: Li (12.36, 16.42, 4.179) [0.6086, 0.8086, 0.2057]\n", + " PeriodicSite: Li (10.71, 16.83, 13.21) [0.5275, 0.8285, 0.6504]\n", + " PeriodicSite: Li (3.472, 10.09, 17.12) [0.1709, 0.4967, 0.8427]\n", + " PeriodicSite: Li (4.822, 7.186, 10.3) [0.2374, 0.3538, 0.5069]\n", + " PeriodicSite: Li (4.603, 17.23, 1.986) [0.2266, 0.8483, 0.09776]\n", + " PeriodicSite: Li (2.652, 17.87, 10.36) [0.1306, 0.8799, 0.51]\n", + " PeriodicSite: Li (10.28, 8.918, 1.969) [0.506, 0.439, 0.09696]\n", + " PeriodicSite: Li (14.37, 5.385, 12.4) [0.7075, 0.2651, 0.6104]\n", + " PeriodicSite: Li (10.36, 17.72, 2.342) [0.5099, 0.8726, 0.1153]\n", + " PeriodicSite: Li (13.73, 15.65, 11.27) [0.6759, 0.7703, 0.5549]\n", + " PeriodicSite: Li (0.5125, 8.852, 1.957) [0.02523, 0.4358, 0.09635]\n", + " PeriodicSite: Li (17.21, 6.349, 10.55) [0.8474, 0.3125, 0.5193]\n", + " PeriodicSite: Li (3.227, 18.05, 4.937) [0.1589, 0.8888, 0.243]\n", + " PeriodicSite: Li (0.9404, 19.42, 12.64) [0.04629, 0.956, 0.6221]\n", + " PeriodicSite: Li (9.318, 7.256, 5.467) [0.4587, 0.3572, 0.2692]\n", + " PeriodicSite: Li (13.41, 10.27, 15.47) [0.6604, 0.5056, 0.7616]\n", + " PeriodicSite: Li (14.85, 16.5, 2.276) [0.7313, 0.8121, 0.1121]\n", + " PeriodicSite: Li (12.55, 14.77, 15.22) [0.6181, 0.7273, 0.7492]\n", + " PeriodicSite: Li (5.914, 7.984, 5.396) [0.2912, 0.3931, 0.2656]\n", + " PeriodicSite: Li (19.81, 11.75, 12.42) [0.9752, 0.5784, 0.6116]\n", + " PeriodicSite: Li (20.06, 17.74, 6.442) [0.9874, 0.8734, 0.3172]\n", + " PeriodicSite: Li (6.542, 18.6, 15.4) [0.3221, 0.9157, 0.7583]\n", + " PeriodicSite: Li (16.83, 10.84, 3.606) [0.8287, 0.5336, 0.1775]\n", + " PeriodicSite: Li (12.86, 7.18, 10.49) [0.6331, 0.3535, 0.5163]\n", + " PeriodicSite: Li (13.26, 17.26, 0.2719) [0.6528, 0.85, 0.01339]\n", + " PeriodicSite: Li (12.48, 19.45, 11.06) [0.6142, 0.9577, 0.5444]\n", + " PeriodicSite: Li (4.59, 2.88, 18.49) [0.226, 0.1418, 0.9101]\n", + " PeriodicSite: Li (3.825, 9.705, 13.42) [0.1883, 0.4778, 0.6605]\n", + " PeriodicSite: Li (3.05, 0.1994, 3.142) [0.1501, 0.009816, 0.1547]\n", + " PeriodicSite: Li (0.89, 15.79, 12.76) [0.04381, 0.7773, 0.6284]\n", + " PeriodicSite: Li (14.88, 8.286, 3.909) [0.7323, 0.4079, 0.1925]\n", + " PeriodicSite: Li (14.78, 8.607, 13.02) [0.7274, 0.4237, 0.641]\n", + " PeriodicSite: Li (12.91, 19.41, 4.295) [0.6357, 0.9556, 0.2114]\n", + " PeriodicSite: Li (18.18, 4.373, 14.65) [0.8952, 0.2153, 0.7212]\n", + " PeriodicSite: Li (9.982, 2.643, 3.284) [0.4914, 0.1301, 0.1617]\n", + " PeriodicSite: Li (9.112, 0.5383, 11.8) [0.4486, 0.0265, 0.581]\n", + " PeriodicSite: Li (6.736, 11.58, 4.372) [0.3316, 0.5701, 0.2152]\n", + " PeriodicSite: Li (6.62, 12.37, 14.69) [0.3259, 0.6089, 0.7232]\n", + " PeriodicSite: Li (18.05, 3.865, 4.524) [0.8887, 0.1903, 0.2227]\n", + " PeriodicSite: Li (13.4, 3.332, 9.935) [0.6596, 0.164, 0.4891]\n", + " PeriodicSite: Li (20.06, 12.98, 2.78) [0.9875, 0.6392, 0.1368]\n", + " PeriodicSite: Li (17.11, 10.38, 13.23) [0.8421, 0.5109, 0.6511]\n", + " PeriodicSite: Li (5.954, 18.42, 6.428) [0.2931, 0.9068, 0.3165]\n", + " PeriodicSite: Li (9.729, 3.291, 13.33) [0.479, 0.162, 0.6563]\n", + " PeriodicSite: Li (7.036, 13.5, 20.23) [0.3464, 0.6647, 0.9961]\n", + " PeriodicSite: Li (9.745, 12.88, 13.31) [0.4798, 0.6341, 0.6553]\n", + " PeriodicSite: Li (15.17, 19.1, 3.193) [0.747, 0.9402, 0.1572]\n", + " PeriodicSite: Li (18.48, 0.71, 12.24) [0.91, 0.03495, 0.6028]\n", + " PeriodicSite: Li (17.69, 14.6, 0.6032) [0.8707, 0.7188, 0.0297]\n", + " PeriodicSite: Li (17.01, 14.75, 11.82) [0.8376, 0.726, 0.5821]\n", + " PeriodicSite: Li (7.841, 4.615, 5.584) [0.386, 0.2272, 0.2749]\n", + " PeriodicSite: Li (6.931, 0.1341, 13.36) [0.3412, 0.006601, 0.6576]\n", + " PeriodicSite: Li (9.57, 12.56, 1.334) [0.4712, 0.6183, 0.06567]\n", + " PeriodicSite: Li (5.233, 13.24, 11.78) [0.2576, 0.6519, 0.5801]\n", + " PeriodicSite: Li (20.06, 2.826, 2.251) [0.9875, 0.1391, 0.1108]\n", + " PeriodicSite: Li (0.885, 7.718, 11.22) [0.04357, 0.38, 0.5524]\n", + " PeriodicSite: Li (15.31, 13.51, 1.793) [0.7539, 0.6653, 0.08827]\n", + " PeriodicSite: Li (15.92, 12.34, 14.15) [0.7838, 0.6077, 0.6967]\n", + " PeriodicSite: Li (3.639, 0.03689, 7.123) [0.1791, 0.001815, 0.3506]\n", + " PeriodicSite: Li (6.666, 2.585, 14.69) [0.3282, 0.1272, 0.7234]\n", + " PeriodicSite: Li (4.139, 13.67, 1.31) [0.2038, 0.6728, 0.06448]\n", + " PeriodicSite: Li (8.173, 6.623, 15.54) [0.4024, 0.326, 0.765]\n", + " PeriodicSite: Li (17.12, 5.03, 1.795) [0.8431, 0.2476, 0.08838]\n", + " PeriodicSite: Li (15.42, 18.66, 13.5) [0.7591, 0.9185, 0.6645]\n", + " PeriodicSite: Li (13.01, 13.88, 19.79) [0.6404, 0.6832, 0.9742]\n", + " PeriodicSite: Li (18.01, 12.18, 10.31) [0.8866, 0.5998, 0.5076]\n", + " PeriodicSite: Li (6.859, 7.263, 0.1117) [0.3377, 0.3575, 0.005502]\n", + " PeriodicSite: Li (5.209, 2.404, 12.31) [0.2565, 0.1183, 0.6063]\n", + " PeriodicSite: Li (7.721, 10.4, 1.472) [0.3801, 0.5121, 0.07249]\n", + " PeriodicSite: Li (8.06, 10.6, 10.65) [0.3968, 0.5218, 0.5241]\n", + " PeriodicSite: Li (15.48, 2.303, 3.248) [0.7622, 0.1134, 0.1599]\n", + " PeriodicSite: Li (16.38, 3.069, 10.42) [0.8065, 0.1511, 0.5131]\n", + " PeriodicSite: Li (1.748, 11.36, 19.66) [0.08604, 0.5594, 0.9678]\n", + " PeriodicSite: Li (18.79, 13.39, 14.63) [0.925, 0.6591, 0.7201]\n", + " PeriodicSite: Li (7.994, 2.327, 0.5367) [0.3936, 0.1146, 0.02643]\n", + " PeriodicSite: Li (7.235, 2.902, 10.05) [0.3562, 0.1429, 0.495]\n", + " PeriodicSite: Li (8.277, 13.71, 4.441) [0.4075, 0.6752, 0.2186]\n", + " PeriodicSite: Li (4.089, 15.96, 12.16) [0.2013, 0.7855, 0.5984]\n", + " PeriodicSite: Li (16.18, 2.9, 0.497) [0.7965, 0.1427, 0.02447]\n", + " PeriodicSite: Li (1.735, 7.055, 14.62) [0.0854, 0.3473, 0.7199]\n", + " PeriodicSite: Li (4.883, 12.94, 9.025) [0.2404, 0.6373, 0.4443]\n", + " PeriodicSite: Li (15.04, 13.14, 9.647) [0.7405, 0.6467, 0.475]\n", + " PeriodicSite: Li (14.66, 11.85, 6.506) [0.7218, 0.5834, 0.3203]\n", + " PeriodicSite: Li (5.484, 8.135, 15.72) [0.27, 0.4005, 0.7738]\n", + " PeriodicSite: Li (7.558, 15.28, 9.882) [0.3721, 0.752, 0.4865]\n", + " PeriodicSite: Li (2.647, 19.79, 0.7461) [0.1303, 0.9744, 0.03673]\n", + " PeriodicSite: Li (16.65, 9.783, 6.676) [0.8199, 0.4816, 0.3287]\n", + " PeriodicSite: Li (3.091, 4.866, 18.28) [0.1522, 0.2396, 0.9]\n", + " PeriodicSite: Li (17.61, 0.6335, 4.687) [0.8671, 0.03118, 0.2308]\n", + " PeriodicSite: Li (19.59, 17.73, 18.17) [0.9644, 0.8727, 0.8944]\n", + " PeriodicSite: Li (6.732, 10.1, 6.973) [0.3314, 0.4971, 0.3433]\n", + " PeriodicSite: Li (6.991, 5.264, 18.63) [0.3442, 0.2592, 0.9173]\n", + " PeriodicSite: Li (8.263, 19.79, 7.863) [0.4068, 0.974, 0.3871]\n", + " PeriodicSite: Li (8.435, 16.1, 16.98) [0.4153, 0.7928, 0.8357]\n", + " PeriodicSite: Li (18.16, 8.783, 9.876) [0.8941, 0.4324, 0.4862]\n", + " PeriodicSite: Li (18.42, 9.028, 19.51) [0.9067, 0.4444, 0.9606]\n", + " PeriodicSite: Li (18.42, 20.08, 8.074) [0.907, 0.9885, 0.3975]\n", + " PeriodicSite: Li (18.27, 16.86, 15.12) [0.8993, 0.8301, 0.7445]\n", + " PeriodicSite: Li (6.74, 5.961, 9.135) [0.3318, 0.2935, 0.4497]\n", + " PeriodicSite: Li (3.612, 1.888, 15.78) [0.1778, 0.09296, 0.7771]\n", + " PeriodicSite: Li (8.221, 18.09, 9.908) [0.4047, 0.8908, 0.4878]\n", + " PeriodicSite: Li (16.9, 11.27, 16.63) [0.8321, 0.5548, 0.8185]\n", + " PeriodicSite: Li (19.36, 9.365, 7.73) [0.9532, 0.4611, 0.3805]\n", + " PeriodicSite: Li (17.31, 5.767, 19.29) [0.8524, 0.2839, 0.9495]\n", + " PeriodicSite: Li (16.17, 17.9, 9.303) [0.7962, 0.8811, 0.458]\n", + " PeriodicSite: Li (15.16, 14.82, 18.48) [0.7462, 0.7295, 0.9097]\n", + " PeriodicSite: Li (10.36, 8.219, 8.675) [0.51, 0.4046, 0.4271]\n", + " PeriodicSite: Li (4.925, 4.009, 1.344) [0.2424, 0.1974, 0.06618]\n", + " PeriodicSite: Li (5.371, 16.78, 8.694) [0.2644, 0.826, 0.428]\n", + " PeriodicSite: Li (6.832, 14.89, 2.186) [0.3363, 0.733, 0.1076]\n", + " PeriodicSite: Li (15.7, 6.908, 8.623) [0.7727, 0.3401, 0.4245]\n", + " PeriodicSite: Li (20.05, 7.064, 17.2) [0.9871, 0.3478, 0.8468]\n", + " PeriodicSite: Li (15.87, 17.65, 6.203) [0.7811, 0.8689, 0.3054]\n", + " PeriodicSite: Li (15.19, 18.06, 17.11) [0.7479, 0.889, 0.8426]\n", + " PeriodicSite: Li (7.103, 4.941, 12.11) [0.3497, 0.2432, 0.596]\n", + " PeriodicSite: Li (4.929, 7.019, 18.33) [0.2426, 0.3455, 0.9024]\n", + " PeriodicSite: Li (8.664, 17.05, 5.506) [0.4266, 0.8392, 0.2711]\n", + " PeriodicSite: Li (12.12, 19.83, 1.453) [0.5965, 0.9761, 0.07152]\n", + " PeriodicSite: Li (18.28, 6.948, 5.104) [0.9002, 0.342, 0.2513]\n", + " PeriodicSite: Li (13.7, 6.976, 0.7306) [0.6744, 0.3434, 0.03597]\n", + " PeriodicSite: Li (19.51, 18.03, 9.78) [0.9605, 0.8876, 0.4815]\n", + " PeriodicSite: Li (17.9, 0.3315, 1.041) [0.8814, 0.01631, 0.05126]\n", + " PeriodicSite: Li (3.803, 9.847, 3.187) [0.1872, 0.4848, 0.1569]\n", + " PeriodicSite: Li (9.639, 7.91, 17.69) [0.4745, 0.3894, 0.871]\n", + " PeriodicSite: Li (9.84, 16.04, 7.613) [0.4844, 0.7898, 0.3748]\n", + " PeriodicSite: Li (6.743, 0.1507, 17.31) [0.332, 0.007418, 0.852]\n", + " PeriodicSite: Li (19.48, 5.972, 7.961) [0.959, 0.294, 0.3919]\n", + " PeriodicSite: Li (17.98, 11.22, 1.294) [0.885, 0.5524, 0.06371]\n", + " PeriodicSite: Li (2.828, 17.08, 0.3251) [0.1392, 0.8407, 0.01601]\n", + " PeriodicSite: Li (15.51, 1.948, 13.63) [0.7636, 0.09588, 0.671]\n", + " PeriodicSite: Cl (7.528, 12.18, 12.61) [0.3706, 0.5998, 0.6207]\n", + " PeriodicSite: Cl (2.422, 12.37, 17.59) [0.1192, 0.6091, 0.866]\n", + " PeriodicSite: Cl (12.85, 17.92, 12.93) [0.6325, 0.8823, 0.6364]\n", + " PeriodicSite: Cl (17.63, 7.486, 17.61) [0.8678, 0.3686, 0.867]\n", + " PeriodicSite: Cl (7.91, 1.995, 2.782) [0.3894, 0.09824, 0.1369]\n", + " PeriodicSite: Cl (7.434, 7.458, 7.094) [0.366, 0.3672, 0.3492]\n", + " PeriodicSite: Cl (12.72, 12.62, 7.956) [0.6261, 0.6215, 0.3917]\n", + " PeriodicSite: Cl (2.364, 7.882, 2.952) [0.1164, 0.3881, 0.1453]\n", + " PeriodicSite: Cl (2.982, 7.589, 12.69) [0.1468, 0.3736, 0.6249]\n", + " PeriodicSite: Cl (12.64, 13.13, 17.49) [0.6222, 0.6464, 0.861]\n", + " PeriodicSite: Cl (17.45, 17.55, 17.6) [0.8589, 0.8638, 0.8667]\n", + " PeriodicSite: Cl (2.447, 2.315, 7.464) [0.1205, 0.114, 0.3675]\n", + " PeriodicSite: Cl (12.78, 1.911, 17.36) [0.6291, 0.09406, 0.8546]\n", + " PeriodicSite: Cl (12.79, 8.296, 2.856) [0.6296, 0.4084, 0.1406]\n", + " PeriodicSite: Cl (17.46, 2.717, 13.05) [0.8595, 0.1338, 0.6424]\n", + " PeriodicSite: Cl (7.645, 18.13, 17.75) [0.3764, 0.8924, 0.8737]\n", + " PeriodicSite: Cl (0.4959, 0.4668, 0.6094) [0.02441, 0.02298, 0.03]\n", + " PeriodicSite: Cl (19.97, 0.3687, 10.59) [0.9832, 0.01814, 0.5212]\n", + " PeriodicSite: Cl (20.29, 9.842, 0.06161) [0.9987, 0.4845, 0.003039]\n", + " PeriodicSite: Cl (20.22, 10.3, 9.978) [0.9954, 0.5073, 0.4912]\n", + " PeriodicSite: Cl (10.38, 0.3297, 19.68) [0.5112, 0.01623, 0.9688]\n", + " PeriodicSite: Cl (9.868, 20.26, 9.876) [0.4858, 0.9974, 0.4862]\n", + " PeriodicSite: Cl (9.918, 10.58, 0.3809) [0.4883, 0.5211, 0.01876]\n", + " PeriodicSite: Cl (10.37, 10.23, 10.22) [0.5104, 0.5036, 0.5033]\n", + " PeriodicSite: Cl (20.12, 5.235, 5.116) [0.9903, 0.2577, 0.2519]\n", + " PeriodicSite: Cl (20.15, 5.183, 15.5) [0.9921, 0.2552, 0.7631]\n", + " PeriodicSite: Cl (0.09016, 15.39, 5.511) [0.004433, 0.7574, 0.2713]\n", + " PeriodicSite: Cl (20.03, 15.5, 15.1) [0.9859, 0.7632, 0.7434]\n", + " PeriodicSite: Cl (10.09, 5.024, 5.275) [0.4969, 0.2474, 0.2597]\n", + " PeriodicSite: Cl (9.987, 4.997, 14.51) [0.4916, 0.246, 0.7141]\n", + " PeriodicSite: Cl (10.26, 15.23, 5.285) [0.5052, 0.7496, 0.2602]\n", + " PeriodicSite: Cl (10.13, 15.18, 15.2) [0.4987, 0.7474, 0.7482]\n", + " PeriodicSite: S (4.909, 20.14, 5.194) [0.2417, 0.9916, 0.2557]\n", + " PeriodicSite: S (5.338, 0.2254, 15.1) [0.2628, 0.01109, 0.7432]\n", + " PeriodicSite: S (4.616, 9.991, 5.327) [0.2273, 0.4919, 0.2623]\n", + " PeriodicSite: S (5.091, 10.58, 15.28) [0.2506, 0.5207, 0.752]\n", + " PeriodicSite: S (15.16, 0.3494, 4.848) [0.7463, 0.01719, 0.2387]\n", + " PeriodicSite: S (15.1, 20.26, 15.15) [0.7432, 0.9973, 0.7459]\n", + " PeriodicSite: S (15.14, 10.12, 5.038) [0.7452, 0.4982, 0.248]\n", + " PeriodicSite: S (15.78, 9.954, 15.16) [0.7767, 0.49, 0.7462]\n", + " PeriodicSite: S (4.972, 5.273, 19.75) [0.2448, 0.2596, 0.9725]\n", + " PeriodicSite: S (5.111, 4.567, 10.42) [0.2516, 0.2248, 0.5132]\n", + " PeriodicSite: S (5.138, 15.6, 0.4768) [0.253, 0.768, 0.02348]\n", + " PeriodicSite: S (5.097, 14.92, 10.22) [0.2509, 0.7345, 0.503]\n", + " PeriodicSite: S (15.36, 5.202, 0.2098) [0.7559, 0.2561, 0.01033]\n", + " PeriodicSite: S (15.13, 4.89, 10.15) [0.7447, 0.2407, 0.4997]\n", + " PeriodicSite: S (15.23, 15.48, 0.3364) [0.7499, 0.7619, 0.01657]\n", + " PeriodicSite: S (15.5, 15.23, 9.935) [0.7632, 0.7497, 0.4891]\n", + " PeriodicSite: S (8.868, 4.05, 8.481) [0.4366, 0.1994, 0.4175]\n", + " PeriodicSite: S (8.925, 4.127, 19.59) [0.4394, 0.2032, 0.9645]\n", + " PeriodicSite: S (9.293, 14.07, 9.058) [0.4575, 0.6926, 0.446]\n", + " PeriodicSite: S (9.023, 14.11, 19.02) [0.4442, 0.6947, 0.9364]\n", + " PeriodicSite: S (18.9, 4.151, 9.301) [0.9303, 0.2044, 0.4579]\n", + " PeriodicSite: S (19.17, 4.091, 19.6) [0.9439, 0.2014, 0.965]\n", + " PeriodicSite: S (19.14, 13.87, 8.868) [0.9424, 0.683, 0.4366]\n", + " PeriodicSite: S (19.34, 13.66, 19.23) [0.9522, 0.6723, 0.9466]\n", + " PeriodicSite: S (3.909, 1.55, 1.293) [0.1925, 0.07632, 0.06366]\n", + " PeriodicSite: S (3.563, 1.003, 11.1) [0.1754, 0.04936, 0.5464]\n", + " PeriodicSite: S (3.809, 11.29, 1.303) [0.1875, 0.5559, 0.06416]\n", + " PeriodicSite: S (3.706, 11.36, 11.51) [0.1824, 0.5591, 0.5666]\n", + " PeriodicSite: S (13.84, 1.364, 0.7842) [0.6812, 0.06713, 0.03861]\n", + " PeriodicSite: S (14.21, 1.54, 11.32) [0.6995, 0.07582, 0.5573]\n", + " PeriodicSite: S (14.02, 11.72, 0.7664) [0.6902, 0.5772, 0.03773]\n", + " PeriodicSite: S (14.18, 11.2, 11.46) [0.6982, 0.5516, 0.5642]\n", + " PeriodicSite: S (6.151, 1.077, 8.747) [0.3028, 0.05301, 0.4306]\n", + " PeriodicSite: S (6.45, 1.357, 19.2) [0.3176, 0.06682, 0.9451]\n", + " PeriodicSite: S (6.351, 11.18, 8.97) [0.3127, 0.5504, 0.4416]\n", + " PeriodicSite: S (6.58, 11.35, 19.41) [0.3239, 0.5586, 0.9558]\n", + " PeriodicSite: S (16.85, 1.333, 9.192) [0.8295, 0.06559, 0.4525]\n", + " PeriodicSite: S (16.47, 0.9266, 18.88) [0.8108, 0.04561, 0.9294]\n", + " PeriodicSite: S (16.31, 11.1, 8.777) [0.8028, 0.5466, 0.4321]\n", + " PeriodicSite: S (16.78, 10.99, 19.11) [0.826, 0.5409, 0.9409]\n", + " PeriodicSite: S (1.501, 4.606, 1.277) [0.07389, 0.2267, 0.06289]\n", + " PeriodicSite: S (0.8717, 3.662, 11.73) [0.04292, 0.1803, 0.5776]\n", + " PeriodicSite: S (1.223, 14.3, 1.373) [0.06022, 0.7041, 0.06759]\n", + " PeriodicSite: S (1.311, 14.01, 11.11) [0.06453, 0.6896, 0.5468]\n", + " PeriodicSite: S (11.16, 4.337, 1.551) [0.5494, 0.2135, 0.07638]\n", + " PeriodicSite: S (10.9, 3.808, 11.06) [0.5367, 0.1875, 0.5447]\n", + " PeriodicSite: S (11.5, 14.29, 1.106) [0.5661, 0.7037, 0.05447]\n", + " PeriodicSite: S (11.59, 13.89, 11.52) [0.5705, 0.6836, 0.5673]\n", + " PeriodicSite: S (2.389, 2.648, 17.58) [0.1176, 0.1303, 0.8655]\n", + " PeriodicSite: S (2.596, 12.62, 7.769) [0.1278, 0.6211, 0.3825]\n", + " PeriodicSite: S (12.75, 2.318, 7.575) [0.6275, 0.1141, 0.3729]\n", + " PeriodicSite: S (8.549, 8.972, 3.872) [0.4209, 0.4417, 0.1906]\n", + " PeriodicSite: S (9.196, 8.53, 13.99) [0.4528, 0.42, 0.6888]\n", + " PeriodicSite: S (8.562, 18.85, 4.135) [0.4215, 0.9282, 0.2036]\n", + " PeriodicSite: S (8.807, 19.16, 13.88) [0.4336, 0.9431, 0.6833]\n", + " PeriodicSite: S (18.82, 9.119, 3.818) [0.9266, 0.4489, 0.188]\n", + " PeriodicSite: S (19.55, 9.173, 13.54) [0.9624, 0.4516, 0.6665]\n", + " PeriodicSite: S (19.41, 19.08, 4.107) [0.9557, 0.9395, 0.2022]\n", + " PeriodicSite: S (19.26, 19.28, 14.29) [0.9481, 0.9491, 0.7038]\n", + " PeriodicSite: S (3.309, 5.702, 5.841) [0.1629, 0.2807, 0.2876]\n", + " PeriodicSite: S (3.759, 6.501, 16.19) [0.1851, 0.3201, 0.797]\n", + " PeriodicSite: S (4.12, 16.28, 6.663) [0.2028, 0.8015, 0.328]\n", + " PeriodicSite: S (4.161, 16.84, 16.58) [0.2049, 0.8292, 0.8162]\n", + " PeriodicSite: S (13.81, 6.062, 6.425) [0.6798, 0.2984, 0.3163]\n", + " PeriodicSite: S (13.84, 6.018, 16.69) [0.6812, 0.2962, 0.8217]\n", + " PeriodicSite: S (13.48, 16.2, 6.315) [0.6636, 0.7975, 0.3109]\n", + " PeriodicSite: S (14.24, 16.07, 16.3) [0.7012, 0.791, 0.8024]\n", + " PeriodicSite: S (6.451, 5.834, 4.271) [0.3176, 0.2872, 0.2103]\n", + " PeriodicSite: S (6.152, 6.288, 14.09) [0.3029, 0.3095, 0.6936]\n", + " PeriodicSite: S (6.654, 16.44, 4.473) [0.3276, 0.8092, 0.2202]\n", + " PeriodicSite: S (6.033, 16.85, 13.87) [0.297, 0.8295, 0.6828]\n", + " PeriodicSite: S (16.12, 6.181, 4.141) [0.7934, 0.3043, 0.2039]\n", + " PeriodicSite: S (16.14, 6.175, 14.17) [0.7948, 0.304, 0.6974]\n", + " PeriodicSite: S (16.27, 16.43, 4.279) [0.8008, 0.8091, 0.2107]\n", + " PeriodicSite: S (16.59, 16.47, 13.78) [0.8168, 0.8107, 0.6786]\n", + " PeriodicSite: S (0.8826, 8.602, 6.382) [0.04345, 0.4235, 0.3142]\n", + " PeriodicSite: S (1.285, 8.885, 16.28) [0.06324, 0.4374, 0.8014]\n", + " PeriodicSite: S (1.561, 19.3, 6.232) [0.07685, 0.9502, 0.3068]\n", + " PeriodicSite: S (1.197, 19.21, 16.73) [0.05895, 0.9458, 0.8235]\n", + " PeriodicSite: S (10.78, 8.565, 6.334) [0.5306, 0.4217, 0.3118]\n", + " PeriodicSite: S (11.22, 9.405, 16.49) [0.5526, 0.463, 0.8121]\n", + " PeriodicSite: S (11.1, 18.58, 6.048) [0.5463, 0.9146, 0.2978]\n", + " PeriodicSite: S (11.16, 19.04, 16.14) [0.5493, 0.9372, 0.7944]\n", + " PeriodicSite: S (2.564, 18.1, 2.559) [0.1262, 0.891, 0.126]\n", + " PeriodicSite: S (2.453, 17.65, 12.7) [0.1207, 0.8692, 0.6253]\n", + " PeriodicSite: S (12.63, 7.374, 12.76) [0.6219, 0.363, 0.6283]\n", + " PeriodicSite: S (12.68, 18.08, 2.507) [0.624, 0.8901, 0.1234]\n", + " PeriodicSite: S (4.184, 3.516, 3.591) [0.206, 0.1731, 0.1768]\n", + " PeriodicSite: S (4.0, 3.691, 14.18) [0.1969, 0.1817, 0.698]\n", + " PeriodicSite: S (3.769, 14.69, 3.929) [0.1856, 0.7232, 0.1934]\n", + " PeriodicSite: S (4.037, 14.57, 14.14) [0.1987, 0.7174, 0.6962]\n", + " PeriodicSite: S (13.65, 4.035, 3.811) [0.6721, 0.1987, 0.1876]\n", + " PeriodicSite: S (13.65, 3.901, 14.32) [0.6721, 0.192, 0.7051]\n", + " PeriodicSite: S (13.85, 14.18, 3.593) [0.6817, 0.6979, 0.1769]\n", + " PeriodicSite: S (14.41, 14.15, 13.52) [0.7092, 0.6968, 0.6657]\n", + " PeriodicSite: S (9.09, 1.319, 6.238) [0.4475, 0.06494, 0.3071]\n", + " PeriodicSite: S (8.826, 1.341, 16.19) [0.4345, 0.06603, 0.7972]\n", + " PeriodicSite: S (8.567, 11.33, 6.164) [0.4218, 0.5578, 0.3035]\n", + " PeriodicSite: S (8.449, 11.28, 15.93) [0.416, 0.5552, 0.7843]\n", + " PeriodicSite: S (19.41, 1.403, 6.316) [0.9555, 0.06908, 0.3109]\n", + " PeriodicSite: S (19.2, 1.335, 16.74) [0.9454, 0.0657, 0.824]\n", + " PeriodicSite: S (18.98, 11.26, 6.546) [0.9344, 0.5543, 0.3223]\n", + " PeriodicSite: S (19.27, 11.36, 16.34) [0.9488, 0.5594, 0.8045]\n", + " PeriodicSite: S (1.294, 1.523, 3.853) [0.06373, 0.07497, 0.1897]\n", + " PeriodicSite: S (1.637, 1.255, 14.33) [0.08059, 0.06177, 0.7055]\n", + " PeriodicSite: S (0.9928, 11.35, 4.231) [0.04887, 0.5587, 0.2083]\n", + " PeriodicSite: S (1.437, 11.55, 14.09) [0.07074, 0.5685, 0.6935]\n", + " PeriodicSite: S (11.3, 0.6455, 3.876) [0.5563, 0.03177, 0.1908]\n", + " PeriodicSite: S (11.15, 1.157, 13.67) [0.549, 0.05695, 0.6729]\n", + " PeriodicSite: S (11.18, 10.93, 3.996) [0.5505, 0.5379, 0.1967]\n", + " PeriodicSite: S (11.26, 11.19, 13.79) [0.5542, 0.5506, 0.6791]\n", + " PeriodicSite: S (5.555, 3.483, 6.584) [0.2735, 0.1715, 0.3241]\n", + " PeriodicSite: S (6.074, 4.034, 16.6) [0.299, 0.1986, 0.8171]\n", + " PeriodicSite: S (6.253, 13.54, 5.936) [0.3078, 0.6667, 0.2923]\n", + " PeriodicSite: S (6.46, 14.51, 16.39) [0.318, 0.7145, 0.807]\n", + " PeriodicSite: S (16.07, 3.477, 6.181) [0.7911, 0.1712, 0.3043]\n", + " PeriodicSite: S (16.43, 3.959, 16.7) [0.8087, 0.1949, 0.8223]\n", + " PeriodicSite: S (15.98, 13.83, 6.291) [0.7868, 0.6806, 0.3097]\n", + " PeriodicSite: S (16.62, 13.76, 15.92) [0.8183, 0.6774, 0.7839]\n", + " PeriodicSite: S (7.61, 2.451, 12.53) [0.3746, 0.1206, 0.6167]\n", + " PeriodicSite: S (7.399, 12.64, 2.421) [0.3643, 0.6225, 0.1192]\n", + " PeriodicSite: S (17.7, 2.816, 2.2) [0.8715, 0.1386, 0.1083]\n", + " PeriodicSite: S (17.7, 12.96, 2.657) [0.8715, 0.6379, 0.1308]\n", + " PeriodicSite: S (17.56, 12.54, 12.57) [0.8643, 0.6175, 0.6191]\n", + " PeriodicSite: S (4.078, 8.982, 9.038) [0.2008, 0.4422, 0.445]\n", + " PeriodicSite: S (4.01, 8.936, 19.14) [0.1974, 0.4399, 0.9422]\n", + " PeriodicSite: S (4.034, 18.69, 8.842) [0.1986, 0.9204, 0.4353]\n", + " PeriodicSite: S (4.208, 19.3, 19.37) [0.2072, 0.9501, 0.9535]\n", + " PeriodicSite: S (13.82, 8.965, 8.781) [0.6805, 0.4414, 0.4323]\n", + " PeriodicSite: S (14.18, 8.851, 19.27) [0.6983, 0.4358, 0.9488]\n", + " PeriodicSite: S (14.25, 19.22, 9.176) [0.7016, 0.9463, 0.4517]\n", + " PeriodicSite: S (13.96, 18.96, 19.05) [0.6875, 0.9336, 0.9378]\n", + " PeriodicSite: S (8.766, 6.655, 1.694) [0.4316, 0.3276, 0.08341]\n", + " PeriodicSite: S (8.674, 6.44, 10.77) [0.427, 0.3171, 0.5303]\n", + " PeriodicSite: S (8.765, 16.39, 0.9545) [0.4315, 0.807, 0.047]\n", + " PeriodicSite: S (9.008, 16.2, 11.42) [0.4435, 0.7977, 0.5621]\n", + " PeriodicSite: S (19.26, 6.873, 1.168) [0.948, 0.3383, 0.05751]\n", + " PeriodicSite: S (19.17, 6.348, 11.76) [0.9437, 0.3125, 0.5789]\n", + " PeriodicSite: S (19.09, 16.63, 0.5828) [0.9398, 0.8186, 0.0287]\n", + " PeriodicSite: S (19.24, 16.33, 11.47) [0.9474, 0.8042, 0.5645]\n", + " PeriodicSite: S (1.5, 5.988, 9.481) [0.07386, 0.2948, 0.4668]\n", + " PeriodicSite: S (1.149, 6.544, 19.04) [0.05657, 0.3222, 0.9371]\n", + " PeriodicSite: S (1.075, 16.31, 8.938) [0.0529, 0.803, 0.44]\n", + " PeriodicSite: S (1.458, 15.88, 18.69) [0.07178, 0.7819, 0.92]\n", + " PeriodicSite: S (11.43, 6.132, 8.954) [0.5629, 0.3019, 0.4408]\n", + " PeriodicSite: S (11.2, 6.712, 19.57) [0.5516, 0.3304, 0.9634]\n", + " PeriodicSite: S (11.7, 16.42, 9.147) [0.5758, 0.8081, 0.4503]\n", + " PeriodicSite: S (11.34, 16.69, 19.01) [0.5582, 0.8216, 0.9358]\n", + " PeriodicSite: S (5.935, 8.765, 1.454) [0.2922, 0.4315, 0.07159]\n", + " PeriodicSite: S (6.164, 8.853, 11.54) [0.3035, 0.4358, 0.5682]\n", + " PeriodicSite: S (6.466, 19.56, 1.349) [0.3183, 0.9632, 0.06644]\n", + " PeriodicSite: S (6.148, 19.11, 11.38) [0.3027, 0.941, 0.5604]\n", + " PeriodicSite: S (16.34, 9.44, 1.597) [0.8044, 0.4647, 0.07861]\n", + " PeriodicSite: S (16.16, 8.792, 11.25) [0.7958, 0.4328, 0.5539]\n", + " PeriodicSite: S (16.13, 19.22, 1.079) [0.7939, 0.9464, 0.0531]\n", + " PeriodicSite: S (16.36, 19.31, 11.45) [0.8055, 0.9505, 0.5637]\n", + " PeriodicSite: S (7.301, 7.381, 17.54) [0.3594, 0.3634, 0.8633]\n", + " PeriodicSite: S (7.82, 17.62, 7.712) [0.385, 0.8672, 0.3797]\n", + " PeriodicSite: S (17.69, 7.717, 7.868) [0.8707, 0.3799, 0.3874]\n", + " PeriodicSite: S (17.94, 17.87, 7.809) [0.8833, 0.8797, 0.3845]\n", + " PeriodicSite: P (5.221, 0.3032, 0.1134) [0.2571, 0.01492, 0.005585]\n", + " PeriodicSite: P (5.056, 20.27, 10.05) [0.2489, 0.9977, 0.4948]\n", + " PeriodicSite: P (5.164, 10.17, 0.1164) [0.2542, 0.5007, 0.005732]\n", + " PeriodicSite: P (5.037, 10.16, 10.28) [0.248, 0.5002, 0.5063]\n", + " PeriodicSite: P (15.01, 0.04829, 20.13) [0.7389, 0.002372, 0.991]\n", + " PeriodicSite: P (15.48, 0.3265, 10.32) [0.7619, 0.01607, 0.508]\n", + " PeriodicSite: P (15.25, 10.27, 0.05647) [0.7507, 0.5055, 0.002785]\n", + " PeriodicSite: P (15.04, 10.0, 9.974) [0.7406, 0.4925, 0.491]\n", + " PeriodicSite: P (4.915, 4.776, 5.164) [0.242, 0.2351, 0.2542]\n", + " PeriodicSite: P (5.053, 5.127, 15.25) [0.2488, 0.2524, 0.7507]\n", + " PeriodicSite: P (5.171, 15.16, 5.208) [0.2546, 0.7463, 0.2564]\n", + " PeriodicSite: P (5.243, 15.7, 15.32) [0.2581, 0.7728, 0.754]\n", + " PeriodicSite: P (14.89, 4.814, 5.224) [0.7329, 0.237, 0.2572]\n", + " PeriodicSite: P (15.07, 4.918, 15.42) [0.7419, 0.2421, 0.7593]\n", + " PeriodicSite: P (14.89, 15.08, 5.059) [0.7329, 0.7422, 0.2491]\n", + " PeriodicSite: P (15.49, 15.18, 14.91) [0.7628, 0.7474, 0.7342]\n", + " PeriodicSite: P (0.2779, 0.2082, 5.023) [0.01368, 0.01025, 0.2473]\n", + " PeriodicSite: P (0.2141, 0.1836, 15.41) [0.01054, 0.00904, 0.7585]\n", + " PeriodicSite: P (20.07, 10.04, 5.264) [0.9882, 0.4943, 0.2592]\n", + " PeriodicSite: P (0.2723, 10.19, 15.09) [0.01341, 0.5017, 0.7429]\n", + " PeriodicSite: P (9.984, 19.93, 5.192) [0.4915, 0.9813, 0.2556]\n", + " PeriodicSite: P (10.04, 0.09958, 15.01) [0.4945, 0.004899, 0.7392]\n", + " PeriodicSite: P (9.859, 9.925, 5.111) [0.4854, 0.4886, 0.2516]\n", + " PeriodicSite: P (9.943, 10.19, 15.07) [0.4895, 0.5016, 0.7421]\n", + " PeriodicSite: P (0.006469, 5.525, 0.1095) [0.000316, 0.272, 0.005393]\n", + " PeriodicSite: P (20.3, 4.95, 10.49) [0.9996, 0.2437, 0.5164]\n", + " PeriodicSite: P (0.1807, 15.09, 20.14) [0.008893, 0.7428, 0.9915]\n", + " PeriodicSite: P (20.23, 15.12, 10.05) [0.9958, 0.7444, 0.4946]\n", + " PeriodicSite: P (9.936, 5.545, 0.4069) [0.4892, 0.273, 0.02003]\n", + " PeriodicSite: P (9.883, 5.065, 9.804) [0.4866, 0.2493, 0.4827]\n", + " PeriodicSite: P (10.21, 15.44, 20.18) [0.5027, 0.7601, 0.9935]\n", + " PeriodicSite: P (10.51, 15.15, 10.32) [0.5172, 0.746, 0.508],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.678, 5.314, 4.032) [0.08263, 0.2616, 0.1985]\n", + " PeriodicSite: Li (0.0008272, 3.213, 13.79) [4.302e-05, 0.1582, 0.6789]\n", + " PeriodicSite: Li (0.4155, 13.25, 6.691) [0.02045, 0.6521, 0.3294]\n", + " PeriodicSite: Li (0.1992, 13.15, 17.77) [0.009805, 0.6473, 0.8751]\n", + " PeriodicSite: Li (15.12, 1.161, 7.459) [0.7443, 0.05714, 0.3672]\n", + " PeriodicSite: Li (12.88, 2.236, 15.12) [0.634, 0.1101, 0.7444]\n", + " PeriodicSite: Li (13.29, 10.32, 3.153) [0.654, 0.5082, 0.1552]\n", + " PeriodicSite: Li (17.12, 8.058, 15.51) [0.8429, 0.3967, 0.7638]\n", + " PeriodicSite: Li (4.579, 3.238, 8.953) [0.2254, 0.1594, 0.4408]\n", + " PeriodicSite: Li (1.372, 2.665, 20.23) [0.06757, 0.1312, 0.9959]\n", + " PeriodicSite: Li (2.957, 8.01, 5.143) [0.1456, 0.3944, 0.2532]\n", + " PeriodicSite: Li (6.91, 10.21, 17.36) [0.3402, 0.5025, 0.8546]\n", + " PeriodicSite: Li (11.62, 4.311, 6.763) [0.5718, 0.2122, 0.3329]\n", + " PeriodicSite: Li (12.89, 0.2377, 17.37) [0.6346, 0.0117, 0.855]\n", + " PeriodicSite: Li (11.0, 9.181, 12.27) [0.5413, 0.452, 0.6043]\n", + " PeriodicSite: Li (9.563, 18.69, 18.58) [0.4708, 0.9203, 0.9145]\n", + " PeriodicSite: Li (6.607, 1.414, 5.804) [0.3253, 0.06963, 0.2857]\n", + " PeriodicSite: Li (4.672, 18.62, 13.42) [0.23, 0.9168, 0.6609]\n", + " PeriodicSite: Li (2.711, 10.31, 6.661) [0.1335, 0.5075, 0.3279]\n", + " PeriodicSite: Li (7.074, 10.45, 13.85) [0.3483, 0.5147, 0.6819]\n", + " PeriodicSite: Li (12.64, 0.02687, 7.224) [0.6222, 0.001318, 0.3557]\n", + " PeriodicSite: Li (10.22, 2.393, 18.21) [0.5029, 0.1178, 0.8965]\n", + " PeriodicSite: Li (13.55, 15.38, 8.002) [0.6671, 0.7572, 0.3939]\n", + " PeriodicSite: Li (11.64, 10.61, 19.24) [0.5732, 0.5224, 0.947]\n", + " PeriodicSite: Li (0.6693, 3.164, 7.107) [0.03295, 0.1558, 0.3499]\n", + " PeriodicSite: Li (0.1167, 3.266, 17.56) [0.005748, 0.1608, 0.8645]\n", + " PeriodicSite: Li (2.545, 15.12, 6.309) [0.1253, 0.7446, 0.3106]\n", + " PeriodicSite: Li (4.964, 15.53, 18.01) [0.2444, 0.7647, 0.8866]\n", + " PeriodicSite: Li (13.47, 1.847, 5.485) [0.6633, 0.09092, 0.27]\n", + " PeriodicSite: Li (15.0, 1.877, 17.24) [0.7387, 0.09242, 0.8489]\n", + " PeriodicSite: Li (11.92, 11.72, 9.922) [0.5869, 0.577, 0.4885]\n", + " PeriodicSite: Li (16.94, 17.09, 19.91) [0.8338, 0.8413, 0.9803]\n", + " PeriodicSite: Li (6.669, 0.4732, 3.021) [0.3283, 0.0233, 0.1487]\n", + " PeriodicSite: Li (0.2992, 18.69, 2.221) [0.01472, 0.9201, 0.1094]\n", + " PeriodicSite: Li (2.667, 14.67, 9.314) [0.1313, 0.7223, 0.4585]\n", + " PeriodicSite: Li (2.055, 16.52, 15.14) [0.1012, 0.8133, 0.7453]\n", + " PeriodicSite: Li (14.95, 4.196, 7.887) [0.7359, 0.2066, 0.3883]\n", + " PeriodicSite: Li (14.25, 4.748, 18.32) [0.7013, 0.2337, 0.9018]\n", + " PeriodicSite: Li (17.06, 15.71, 8.193) [0.8399, 0.7734, 0.4034]\n", + " PeriodicSite: Li (10.58, 13.22, 17.19) [0.5207, 0.651, 0.8461]\n", + " PeriodicSite: Li (3.453, 1.926, 5.325) [0.17, 0.0948, 0.2621]\n", + " PeriodicSite: Li (2.349, 0.1005, 18.13) [0.1157, 0.004948, 0.8926]\n", + " PeriodicSite: Li (4.11, 12.44, 5.272) [0.2023, 0.6123, 0.2595]\n", + " PeriodicSite: Li (17.86, 14.34, 4.302) [0.879, 0.7062, 0.2118]\n", + " PeriodicSite: Li (10.55, 1.92, 8.648) [0.5196, 0.09453, 0.4258]\n", + " PeriodicSite: Li (17.33, 0.1863, 15.41) [0.8529, 0.009163, 0.7585]\n", + " PeriodicSite: Li (12.71, 9.789, 6.274) [0.6255, 0.4819, 0.3089]\n", + " PeriodicSite: Li (15.09, 8.614, 17.15) [0.7427, 0.4241, 0.8444]\n", + " PeriodicSite: Li (3.125, 12.52, 15.49) [0.1538, 0.6162, 0.7626]\n", + " PeriodicSite: Li (2.17, 12.08, 9.528) [0.1068, 0.5947, 0.4691]\n", + " PeriodicSite: Li (1.544, 16.09, 3.329) [0.076, 0.7921, 0.1639]\n", + " PeriodicSite: Li (1.877, 1.383, 10.35) [0.09241, 0.0681, 0.5093]\n", + " PeriodicSite: Li (11.98, 5.814, 3.822) [0.59, 0.2862, 0.1882]\n", + " PeriodicSite: Li (11.75, 7.045, 14.87) [0.5786, 0.3468, 0.7322]\n", + " PeriodicSite: Li (10.83, 12.76, 6.234) [0.5332, 0.6281, 0.3069]\n", + " PeriodicSite: Li (12.73, 19.27, 14.46) [0.6267, 0.9488, 0.7119]\n", + " PeriodicSite: Li (3.093, 6.384, 0.5626) [0.1523, 0.3143, 0.0277]\n", + " PeriodicSite: Li (2.665, 5.368, 12.06) [0.1312, 0.2643, 0.5937]\n", + " PeriodicSite: Li (6.759, 16.89, 19.63) [0.3328, 0.8315, 0.9666]\n", + " PeriodicSite: Li (3.308, 18.85, 15.64) [0.1628, 0.928, 0.7699]\n", + " PeriodicSite: Li (13.83, 3.952, 1.405) [0.6808, 0.1946, 0.06918]\n", + " PeriodicSite: Li (10.69, 5.848, 12.56) [0.5265, 0.2879, 0.6183]\n", + " PeriodicSite: Li (12.21, 15.57, 4.357) [0.601, 0.7665, 0.2145]\n", + " PeriodicSite: Li (10.2, 17.21, 14.12) [0.5021, 0.8471, 0.6954]\n", + " PeriodicSite: Li (3.244, 10.3, 16.86) [0.1597, 0.5071, 0.8301]\n", + " PeriodicSite: Li (4.883, 7.152, 11.21) [0.2404, 0.3521, 0.5521]\n", + " PeriodicSite: Li (4.988, 18.0, 2.451) [0.2456, 0.8861, 0.1207]\n", + " PeriodicSite: Li (3.203, 17.59, 10.51) [0.1577, 0.8662, 0.5175]\n", + " PeriodicSite: Li (10.31, 8.47, 2.006) [0.5078, 0.417, 0.09877]\n", + " PeriodicSite: Li (14.19, 5.333, 12.21) [0.6983, 0.2625, 0.601]\n", + " PeriodicSite: Li (10.5, 17.95, 2.268) [0.5168, 0.8839, 0.1117]\n", + " PeriodicSite: Li (13.6, 15.73, 11.63) [0.6696, 0.7745, 0.5727]\n", + " PeriodicSite: Li (0.3352, 8.457, 1.891) [0.0165, 0.4163, 0.0931]\n", + " PeriodicSite: Li (17.16, 6.457, 9.903) [0.8448, 0.3179, 0.4876]\n", + " PeriodicSite: Li (3.258, 18.31, 5.103) [0.1604, 0.9014, 0.2512]\n", + " PeriodicSite: Li (1.349, 19.3, 12.85) [0.0664, 0.9502, 0.6325]\n", + " PeriodicSite: Li (8.886, 7.2, 5.092) [0.4375, 0.3545, 0.2507]\n", + " PeriodicSite: Li (13.03, 10.64, 14.95) [0.6414, 0.5237, 0.7362]\n", + " PeriodicSite: Li (14.51, 15.81, 2.082) [0.7141, 0.7781, 0.1025]\n", + " PeriodicSite: Li (12.73, 14.63, 15.69) [0.6269, 0.7204, 0.7726]\n", + " PeriodicSite: Li (5.887, 7.763, 5.218) [0.2898, 0.3822, 0.2569]\n", + " PeriodicSite: Li (20.14, 11.79, 12.36) [0.9916, 0.5805, 0.6083]\n", + " PeriodicSite: Li (19.38, 17.51, 5.967) [0.9541, 0.8621, 0.2938]\n", + " PeriodicSite: Li (6.457, 18.34, 15.49) [0.3179, 0.9031, 0.7627]\n", + " PeriodicSite: Li (16.96, 11.23, 3.893) [0.8349, 0.5528, 0.1917]\n", + " PeriodicSite: Li (13.08, 7.153, 10.47) [0.6441, 0.3522, 0.5155]\n", + " PeriodicSite: Li (13.51, 17.13, 20.05) [0.6651, 0.8435, 0.987]\n", + " PeriodicSite: Li (12.51, 18.42, 10.27) [0.6157, 0.9068, 0.5056]\n", + " PeriodicSite: Li (4.552, 2.892, 19.16) [0.2241, 0.1424, 0.9431]\n", + " PeriodicSite: Li (3.55, 10.19, 13.53) [0.1748, 0.5015, 0.6661]\n", + " PeriodicSite: Li (3.403, 20.24, 3.267) [0.1675, 0.9963, 0.1608]\n", + " PeriodicSite: Li (0.9257, 16.02, 12.61) [0.04557, 0.7885, 0.6206]\n", + " PeriodicSite: Li (15.32, 8.239, 3.697) [0.7542, 0.4056, 0.182]\n", + " PeriodicSite: Li (14.78, 7.931, 13.33) [0.7277, 0.3905, 0.6562]\n", + " PeriodicSite: Li (12.75, 19.14, 4.36) [0.6276, 0.9422, 0.2146]\n", + " PeriodicSite: Li (17.82, 4.418, 15.19) [0.8772, 0.2175, 0.748]\n", + " PeriodicSite: Li (9.632, 3.271, 3.214) [0.4742, 0.161, 0.1582]\n", + " PeriodicSite: Li (8.852, 0.453, 12.17) [0.4358, 0.0223, 0.5992]\n", + " PeriodicSite: Li (6.628, 10.86, 4.186) [0.3263, 0.5346, 0.2061]\n", + " PeriodicSite: Li (5.839, 12.6, 14.78) [0.2875, 0.6202, 0.7276]\n", + " PeriodicSite: Li (18.34, 3.308, 4.704) [0.9028, 0.1629, 0.2316]\n", + " PeriodicSite: Li (13.25, 3.327, 9.937) [0.6521, 0.1638, 0.4892]\n", + " PeriodicSite: Li (20.15, 12.84, 2.774) [0.9922, 0.6322, 0.1366]\n", + " PeriodicSite: Li (17.79, 10.16, 12.79) [0.8756, 0.5003, 0.6295]\n", + " PeriodicSite: Li (6.367, 18.25, 6.148) [0.3135, 0.8985, 0.3027]\n", + " PeriodicSite: Li (9.572, 3.156, 13.63) [0.4712, 0.1554, 0.6708]\n", + " PeriodicSite: Li (7.006, 13.54, 20.01) [0.3449, 0.6665, 0.9849]\n", + " PeriodicSite: Li (9.796, 14.0, 12.91) [0.4823, 0.6891, 0.6355]\n", + " PeriodicSite: Li (14.95, 18.42, 3.01) [0.7358, 0.9067, 0.1482]\n", + " PeriodicSite: Li (19.15, 0.5698, 12.18) [0.9426, 0.02805, 0.5997]\n", + " PeriodicSite: Li (17.57, 14.95, 1.144) [0.865, 0.736, 0.05634]\n", + " PeriodicSite: Li (17.36, 15.19, 11.83) [0.8548, 0.7481, 0.5822]\n", + " PeriodicSite: Li (7.615, 4.929, 5.911) [0.3749, 0.2426, 0.291]\n", + " PeriodicSite: Li (6.19, 0.3667, 13.03) [0.3048, 0.01805, 0.6417]\n", + " PeriodicSite: Li (9.852, 12.31, 2.282) [0.485, 0.6059, 0.1123]\n", + " PeriodicSite: Li (5.108, 12.85, 10.96) [0.2515, 0.6326, 0.5397]\n", + " PeriodicSite: Li (20.0, 2.086, 2.378) [0.9847, 0.1027, 0.1171]\n", + " PeriodicSite: Li (0.4419, 7.93, 11.37) [0.02176, 0.3904, 0.5597]\n", + " PeriodicSite: Li (15.42, 13.15, 1.947) [0.7593, 0.6476, 0.09587]\n", + " PeriodicSite: Li (15.91, 11.92, 13.24) [0.7834, 0.5868, 0.6516]\n", + " PeriodicSite: Li (4.022, 0.08067, 7.18) [0.198, 0.00397, 0.3535]\n", + " PeriodicSite: Li (6.961, 2.324, 14.96) [0.3427, 0.1144, 0.7363]\n", + " PeriodicSite: Li (4.371, 13.85, 1.621) [0.2152, 0.6818, 0.07981]\n", + " PeriodicSite: Li (8.191, 6.761, 15.79) [0.4032, 0.3328, 0.7774]\n", + " PeriodicSite: Li (17.14, 4.752, 1.996) [0.8439, 0.234, 0.09826]\n", + " PeriodicSite: Li (15.01, 18.87, 13.08) [0.7389, 0.9289, 0.6438]\n", + " PeriodicSite: Li (13.17, 13.8, 19.95) [0.6482, 0.6796, 0.9822]\n", + " PeriodicSite: Li (18.49, 12.28, 9.667) [0.9101, 0.6043, 0.4759]\n", + " PeriodicSite: Li (6.767, 7.426, 0.244) [0.3331, 0.3656, 0.01202]\n", + " PeriodicSite: Li (5.091, 2.967, 12.27) [0.2506, 0.146, 0.6041]\n", + " PeriodicSite: Li (7.63, 11.27, 1.252) [0.3756, 0.555, 0.06164]\n", + " PeriodicSite: Li (8.118, 10.73, 11.23) [0.3996, 0.5285, 0.5527]\n", + " PeriodicSite: Li (15.56, 1.848, 3.747) [0.7659, 0.09099, 0.1845]\n", + " PeriodicSite: Li (17.09, 3.307, 10.56) [0.8415, 0.1628, 0.5198]\n", + " PeriodicSite: Li (1.797, 11.2, 19.87) [0.08846, 0.5512, 0.9781]\n", + " PeriodicSite: Li (18.71, 13.19, 14.38) [0.9209, 0.6494, 0.7079]\n", + " PeriodicSite: Li (8.54, 1.669, 0.3833) [0.4204, 0.08215, 0.01887]\n", + " PeriodicSite: Li (7.422, 2.797, 10.27) [0.3654, 0.1377, 0.5058]\n", + " PeriodicSite: Li (8.495, 13.01, 4.807) [0.4182, 0.6405, 0.2367]\n", + " PeriodicSite: Li (4.35, 15.88, 12.39) [0.2142, 0.7819, 0.6101]\n", + " PeriodicSite: Li (16.23, 2.995, 0.7526) [0.7991, 0.1474, 0.03706]\n", + " PeriodicSite: Li (1.763, 7.423, 14.86) [0.08679, 0.3655, 0.7315]\n", + " PeriodicSite: Li (4.708, 13.97, 8.053) [0.2318, 0.6878, 0.3965]\n", + " PeriodicSite: Li (15.77, 13.11, 10.94) [0.7763, 0.6454, 0.5385]\n", + " PeriodicSite: Li (15.0, 12.12, 6.713) [0.7386, 0.5968, 0.3305]\n", + " PeriodicSite: Li (6.319, 8.204, 15.73) [0.3111, 0.4039, 0.7744]\n", + " PeriodicSite: Li (7.278, 14.59, 10.9) [0.3583, 0.7184, 0.5368]\n", + " PeriodicSite: Li (2.513, 19.68, 0.6468) [0.1237, 0.9688, 0.03185]\n", + " PeriodicSite: Li (16.48, 10.04, 6.883) [0.8111, 0.4942, 0.3389]\n", + " PeriodicSite: Li (3.357, 4.677, 18.3) [0.1653, 0.2302, 0.901]\n", + " PeriodicSite: Li (17.22, 19.82, 5.369) [0.848, 0.9757, 0.2643]\n", + " PeriodicSite: Li (19.81, 18.03, 18.68) [0.9752, 0.8877, 0.9196]\n", + " PeriodicSite: Li (5.49, 9.757, 7.626) [0.2703, 0.4803, 0.3754]\n", + " PeriodicSite: Li (6.874, 5.117, 18.6) [0.3384, 0.2519, 0.9158]\n", + " PeriodicSite: Li (8.16, 19.63, 8.451) [0.4017, 0.9662, 0.416]\n", + " PeriodicSite: Li (8.731, 15.91, 16.91) [0.4298, 0.7831, 0.8325]\n", + " PeriodicSite: Li (17.89, 9.355, 9.83) [0.8806, 0.4606, 0.4839]\n", + " PeriodicSite: Li (17.79, 8.539, 0.2108) [0.8758, 0.4204, 0.01038]\n", + " PeriodicSite: Li (18.48, 0.00777, 8.257) [0.9096, 0.0003747, 0.4065]\n", + " PeriodicSite: Li (18.49, 16.88, 15.28) [0.9105, 0.8308, 0.7522]\n", + " PeriodicSite: Li (7.089, 5.677, 9.105) [0.349, 0.2795, 0.4483]\n", + " PeriodicSite: Li (3.439, 2.357, 15.81) [0.1693, 0.1161, 0.7782]\n", + " PeriodicSite: Li (8.914, 17.52, 9.925) [0.4389, 0.8626, 0.4886]\n", + " PeriodicSite: Li (16.79, 11.01, 16.66) [0.8264, 0.5422, 0.8201]\n", + " PeriodicSite: Li (19.82, 9.24, 7.981) [0.9757, 0.4549, 0.3929]\n", + " PeriodicSite: Li (17.12, 5.396, 18.83) [0.8428, 0.2656, 0.9269]\n", + " PeriodicSite: Li (16.12, 17.85, 9.636) [0.7934, 0.8786, 0.4744]\n", + " PeriodicSite: Li (15.84, 15.56, 17.88) [0.7798, 0.7658, 0.8802]\n", + " PeriodicSite: Li (9.847, 8.097, 8.378) [0.4848, 0.3986, 0.4125]\n", + " PeriodicSite: Li (5.479, 3.829, 1.768) [0.2698, 0.1885, 0.08706]\n", + " PeriodicSite: Li (5.703, 17.04, 8.755) [0.2807, 0.8387, 0.431]\n", + " PeriodicSite: Li (7.272, 15.16, 1.863) [0.358, 0.7464, 0.09172]\n", + " PeriodicSite: Li (15.36, 7.285, 7.915) [0.7562, 0.3586, 0.3897]\n", + " PeriodicSite: Li (19.89, 7.51, 17.38) [0.979, 0.3697, 0.8558]\n", + " PeriodicSite: Li (15.59, 18.22, 6.862) [0.7674, 0.8969, 0.3378]\n", + " PeriodicSite: Li (15.65, 19.17, 17.32) [0.7704, 0.944, 0.8525]\n", + " PeriodicSite: Li (7.245, 4.965, 12.23) [0.3567, 0.2444, 0.6021]\n", + " PeriodicSite: Li (4.991, 7.121, 18.25) [0.2457, 0.3506, 0.8985]\n", + " PeriodicSite: Li (9.049, 17.83, 5.844) [0.4455, 0.8777, 0.2877]\n", + " PeriodicSite: Li (12.18, 0.2044, 1.082) [0.5998, 0.01006, 0.05328]\n", + " PeriodicSite: Li (18.31, 7.499, 5.736) [0.9016, 0.3692, 0.2824]\n", + " PeriodicSite: Li (13.62, 6.882, 0.1945) [0.6705, 0.3388, 0.009579]\n", + " PeriodicSite: Li (19.52, 17.91, 9.349) [0.9612, 0.8817, 0.4603]\n", + " PeriodicSite: Li (18.24, 1.164, 0.2647) [0.8982, 0.05731, 0.01304]\n", + " PeriodicSite: Li (3.817, 9.65, 3.028) [0.1879, 0.4751, 0.1491]\n", + " PeriodicSite: Li (9.637, 8.13, 18.54) [0.4744, 0.4002, 0.9127]\n", + " PeriodicSite: Li (9.529, 15.7, 7.569) [0.4691, 0.7727, 0.3727]\n", + " PeriodicSite: Li (6.523, 0.1801, 17.23) [0.3212, 0.008866, 0.8484]\n", + " PeriodicSite: Li (19.59, 6.086, 7.904) [0.9646, 0.2996, 0.3891]\n", + " PeriodicSite: Li (18.34, 11.98, 0.6231) [0.9029, 0.5898, 0.03068]\n", + " PeriodicSite: Li (3.133, 16.48, 0.4341) [0.1542, 0.8114, 0.02137]\n", + " PeriodicSite: Li (15.75, 1.908, 13.88) [0.7753, 0.09391, 0.6833]\n", + " PeriodicSite: Cl (7.381, 12.65, 12.5) [0.3634, 0.6227, 0.6156]\n", + " PeriodicSite: Cl (2.412, 12.45, 17.98) [0.1187, 0.6131, 0.885]\n", + " PeriodicSite: Cl (12.72, 17.82, 12.33) [0.6262, 0.8773, 0.6069]\n", + " PeriodicSite: Cl (17.72, 7.533, 17.9) [0.8722, 0.3709, 0.8811]\n", + " PeriodicSite: Cl (7.651, 2.562, 2.454) [0.3767, 0.1261, 0.1208]\n", + " PeriodicSite: Cl (7.518, 7.193, 7.477) [0.3701, 0.3541, 0.3681]\n", + " PeriodicSite: Cl (12.89, 12.94, 7.807) [0.6348, 0.637, 0.3843]\n", + " PeriodicSite: Cl (2.61, 7.485, 2.449) [0.1285, 0.3685, 0.1206]\n", + " PeriodicSite: Cl (2.588, 7.422, 12.64) [0.1274, 0.3654, 0.6222]\n", + " PeriodicSite: Cl (13.11, 13.29, 17.51) [0.6454, 0.6545, 0.8619]\n", + " PeriodicSite: Cl (17.68, 17.57, 17.44) [0.8704, 0.8649, 0.8587]\n", + " PeriodicSite: Cl (2.667, 2.003, 7.898) [0.1313, 0.0986, 0.3888]\n", + " PeriodicSite: Cl (12.84, 2.63, 17.69) [0.6322, 0.1295, 0.8711]\n", + " PeriodicSite: Cl (12.54, 7.683, 2.64) [0.6175, 0.3782, 0.13]\n", + " PeriodicSite: Cl (18.13, 2.71, 12.88) [0.8925, 0.1334, 0.6343]\n", + " PeriodicSite: Cl (7.383, 18.06, 17.85) [0.3635, 0.8892, 0.8786]\n", + " PeriodicSite: Cl (0.1056, 0.5172, 0.3043) [0.005197, 0.02546, 0.01498]\n", + " PeriodicSite: Cl (20.15, 20.0, 10.46) [0.9918, 0.9844, 0.5148]\n", + " PeriodicSite: Cl (20.12, 10.17, 0.1777) [0.9906, 0.5009, 0.008756]\n", + " PeriodicSite: Cl (20.06, 10.27, 10.19) [0.9873, 0.5058, 0.5017]\n", + " PeriodicSite: Cl (10.35, 0.4395, 19.66) [0.5095, 0.02163, 0.9677]\n", + " PeriodicSite: Cl (10.2, 20.02, 10.19) [0.5021, 0.9856, 0.5017]\n", + " PeriodicSite: Cl (10.02, 10.53, 0.408) [0.4931, 0.5183, 0.02009]\n", + " PeriodicSite: Cl (10.16, 10.01, 10.13) [0.5002, 0.493, 0.4987]\n", + " PeriodicSite: Cl (19.96, 4.937, 5.271) [0.9828, 0.243, 0.2595]\n", + " PeriodicSite: Cl (19.89, 5.026, 15.44) [0.979, 0.2474, 0.7603]\n", + " PeriodicSite: Cl (0.09009, 15.12, 4.965) [0.00443, 0.7444, 0.2444]\n", + " PeriodicSite: Cl (0.3718, 15.23, 14.7) [0.0183, 0.7499, 0.7235]\n", + " PeriodicSite: Cl (9.76, 4.916, 4.817) [0.4805, 0.242, 0.2371]\n", + " PeriodicSite: Cl (9.915, 5.158, 14.88) [0.4881, 0.2539, 0.7324]\n", + " PeriodicSite: Cl (10.17, 14.86, 5.559) [0.5005, 0.7318, 0.2737]\n", + " PeriodicSite: Cl (10.15, 15.14, 15.13) [0.4997, 0.7452, 0.7447]\n", + " PeriodicSite: S (5.064, 20.19, 4.99) [0.2493, 0.9939, 0.2457]\n", + " PeriodicSite: S (5.206, 0.003531, 15.35) [0.2563, 0.0001727, 0.7557]\n", + " PeriodicSite: S (4.637, 9.869, 5.284) [0.2283, 0.4859, 0.2602]\n", + " PeriodicSite: S (5.001, 10.47, 15.43) [0.2462, 0.5154, 0.7599]\n", + " PeriodicSite: S (14.69, 20.07, 5.457) [0.7233, 0.9879, 0.2686]\n", + " PeriodicSite: S (14.77, 0.1763, 15.3) [0.727, 0.008675, 0.7532]\n", + " PeriodicSite: S (14.76, 10.06, 5.251) [0.7265, 0.4951, 0.2585]\n", + " PeriodicSite: S (15.4, 9.847, 15.08) [0.7579, 0.4848, 0.7424]\n", + " PeriodicSite: S (4.864, 5.318, 19.99) [0.2395, 0.2618, 0.9841]\n", + " PeriodicSite: S (5.362, 4.882, 10.54) [0.264, 0.2403, 0.5191]\n", + " PeriodicSite: S (5.351, 15.28, 0.2664) [0.2634, 0.7521, 0.01312]\n", + " PeriodicSite: S (4.981, 15.08, 10.07) [0.2452, 0.7422, 0.4958]\n", + " PeriodicSite: S (15.38, 5.194, 0.05246) [0.7571, 0.2557, 0.002587]\n", + " PeriodicSite: S (14.88, 5.331, 10.14) [0.7327, 0.2624, 0.4994]\n", + " PeriodicSite: S (15.39, 15.19, 20.22) [0.7576, 0.7479, 0.9957]\n", + " PeriodicSite: S (15.35, 15.43, 10.12) [0.7558, 0.7597, 0.4982]\n", + " PeriodicSite: S (8.946, 3.775, 8.688) [0.4404, 0.1858, 0.4277]\n", + " PeriodicSite: S (9.22, 4.058, 19.27) [0.4539, 0.1998, 0.9488]\n", + " PeriodicSite: S (8.997, 13.96, 9.061) [0.4429, 0.6872, 0.4461]\n", + " PeriodicSite: S (8.97, 14.28, 18.79) [0.4416, 0.703, 0.9252]\n", + " PeriodicSite: S (18.96, 4.19, 9.127) [0.9335, 0.2063, 0.4493]\n", + " PeriodicSite: S (19.09, 3.801, 19.4) [0.9399, 0.1871, 0.9553]\n", + " PeriodicSite: S (19.23, 14.25, 8.458) [0.9468, 0.7017, 0.4164]\n", + " PeriodicSite: S (19.25, 13.93, 19.85) [0.9476, 0.6858, 0.9771]\n", + " PeriodicSite: S (4.504, 0.9313, 1.424) [0.2218, 0.04585, 0.07012]\n", + " PeriodicSite: S (3.998, 0.8892, 11.5) [0.1968, 0.04378, 0.5664]\n", + " PeriodicSite: S (3.633, 11.48, 1.175) [0.1789, 0.5653, 0.05783]\n", + " PeriodicSite: S (3.438, 11.03, 11.23) [0.1693, 0.5429, 0.553]\n", + " PeriodicSite: S (14.37, 1.359, 1.063) [0.7074, 0.06689, 0.05235]\n", + " PeriodicSite: S (14.46, 1.273, 11.84) [0.7119, 0.06265, 0.5829]\n", + " PeriodicSite: S (13.6, 11.65, 0.7078) [0.6694, 0.5734, 0.03485]\n", + " PeriodicSite: S (14.02, 11.3, 11.45) [0.6904, 0.5562, 0.5639]\n", + " PeriodicSite: S (6.276, 1.2, 8.741) [0.309, 0.05908, 0.4303]\n", + " PeriodicSite: S (6.387, 1.28, 19.33) [0.3144, 0.06299, 0.9518]\n", + " PeriodicSite: S (6.199, 11.25, 9.343) [0.3052, 0.5538, 0.46]\n", + " PeriodicSite: S (6.501, 11.44, 19.42) [0.32, 0.5632, 0.9559]\n", + " PeriodicSite: S (16.57, 1.548, 9.158) [0.816, 0.07622, 0.4509]\n", + " PeriodicSite: S (16.58, 0.9216, 18.88) [0.8164, 0.04536, 0.9293]\n", + " PeriodicSite: S (16.41, 11.2, 9.049) [0.8081, 0.5514, 0.4455]\n", + " PeriodicSite: S (16.58, 11.21, 19.21) [0.8164, 0.5519, 0.946]\n", + " PeriodicSite: S (1.014, 4.301, 1.523) [0.04994, 0.2117, 0.07498]\n", + " PeriodicSite: S (1.022, 3.496, 11.37) [0.05029, 0.1721, 0.5595]\n", + " PeriodicSite: S (1.46, 14.18, 1.563) [0.07189, 0.6982, 0.07695]\n", + " PeriodicSite: S (1.326, 13.91, 10.93) [0.06529, 0.685, 0.5383]\n", + " PeriodicSite: S (11.49, 4.49, 1.606) [0.5654, 0.221, 0.07908]\n", + " PeriodicSite: S (10.91, 3.686, 11.1) [0.537, 0.1815, 0.5463]\n", + " PeriodicSite: S (11.19, 14.34, 1.197) [0.5507, 0.706, 0.05893]\n", + " PeriodicSite: S (11.75, 13.79, 11.13) [0.5784, 0.6789, 0.5482]\n", + " PeriodicSite: S (2.445, 2.517, 18.1) [0.1204, 0.1239, 0.8909]\n", + " PeriodicSite: S (2.664, 13.15, 7.333) [0.1312, 0.6476, 0.361]\n", + " PeriodicSite: S (12.72, 2.439, 7.777) [0.6264, 0.1201, 0.3829]\n", + " PeriodicSite: S (8.429, 9.241, 3.646) [0.415, 0.455, 0.1795]\n", + " PeriodicSite: S (8.945, 8.577, 14.18) [0.4404, 0.4222, 0.6982]\n", + " PeriodicSite: S (8.743, 19.31, 3.929) [0.4304, 0.9506, 0.1934]\n", + " PeriodicSite: S (8.513, 18.98, 14.02) [0.4191, 0.9343, 0.6901]\n", + " PeriodicSite: S (18.7, 9.329, 3.77) [0.9206, 0.4593, 0.1856]\n", + " PeriodicSite: S (19.44, 8.789, 14.23) [0.957, 0.4327, 0.7005]\n", + " PeriodicSite: S (19.25, 19.09, 4.093) [0.9476, 0.9398, 0.2015]\n", + " PeriodicSite: S (19.2, 19.17, 14.21) [0.9451, 0.9435, 0.6994]\n", + " PeriodicSite: S (3.297, 5.822, 6.299) [0.1623, 0.2866, 0.3101]\n", + " PeriodicSite: S (3.724, 6.393, 16.29) [0.1833, 0.3148, 0.8019]\n", + " PeriodicSite: S (4.427, 16.61, 6.565) [0.2179, 0.8177, 0.3232]\n", + " PeriodicSite: S (3.866, 16.77, 16.35) [0.1903, 0.8257, 0.8047]\n", + " PeriodicSite: S (13.82, 5.548, 6.141) [0.6806, 0.2731, 0.3023]\n", + " PeriodicSite: S (13.76, 6.445, 16.44) [0.6777, 0.3173, 0.8092]\n", + " PeriodicSite: S (13.77, 16.68, 6.133) [0.6778, 0.8213, 0.3019]\n", + " PeriodicSite: S (14.33, 16.53, 16.12) [0.7054, 0.8137, 0.7938]\n", + " PeriodicSite: S (6.017, 5.839, 4.072) [0.2962, 0.2875, 0.2004]\n", + " PeriodicSite: S (6.243, 6.37, 14.17) [0.3073, 0.3136, 0.6977]\n", + " PeriodicSite: S (6.457, 16.34, 3.823) [0.3179, 0.8045, 0.1882]\n", + " PeriodicSite: S (6.116, 16.55, 13.74) [0.3011, 0.815, 0.6766]\n", + " PeriodicSite: S (16.6, 6.155, 4.125) [0.8172, 0.303, 0.2031]\n", + " PeriodicSite: S (16.05, 6.202, 14.14) [0.7901, 0.3053, 0.6959]\n", + " PeriodicSite: S (16.35, 16.53, 3.863) [0.8049, 0.8137, 0.1902]\n", + " PeriodicSite: S (16.68, 16.73, 13.62) [0.8214, 0.8237, 0.6703]\n", + " PeriodicSite: S (0.7845, 8.663, 6.092) [0.03862, 0.4265, 0.2999]\n", + " PeriodicSite: S (1.168, 9.182, 16.6) [0.0575, 0.452, 0.8173]\n", + " PeriodicSite: S (1.27, 19.2, 6.304) [0.0625, 0.9453, 0.3104]\n", + " PeriodicSite: S (1.047, 18.91, 16.61) [0.05152, 0.9311, 0.8178]\n", + " PeriodicSite: S (10.65, 8.782, 6.031) [0.5245, 0.4323, 0.2969]\n", + " PeriodicSite: S (11.35, 9.223, 16.56) [0.559, 0.454, 0.815]\n", + " PeriodicSite: S (11.18, 18.92, 6.024) [0.5503, 0.9317, 0.2966]\n", + " PeriodicSite: S (11.03, 18.95, 16.27) [0.543, 0.9329, 0.8011]\n", + " PeriodicSite: S (2.761, 17.99, 2.419) [0.1359, 0.8856, 0.1191]\n", + " PeriodicSite: S (2.575, 17.51, 12.96) [0.1268, 0.8621, 0.638]\n", + " PeriodicSite: S (12.66, 7.231, 12.81) [0.6233, 0.356, 0.6304]\n", + " PeriodicSite: S (12.8, 17.72, 2.398) [0.6299, 0.8722, 0.1181]\n", + " PeriodicSite: S (3.587, 3.67, 3.786) [0.1766, 0.1807, 0.1864]\n", + " PeriodicSite: S (3.573, 4.153, 13.94) [0.1759, 0.2045, 0.6864]\n", + " PeriodicSite: S (3.56, 14.44, 4.004) [0.1753, 0.7109, 0.1971]\n", + " PeriodicSite: S (3.908, 14.29, 14.11) [0.1924, 0.7035, 0.6945]\n", + " PeriodicSite: S (14.1, 3.777, 3.734) [0.6941, 0.1859, 0.1839]\n", + " PeriodicSite: S (14.01, 3.731, 14.14) [0.6899, 0.1837, 0.6961]\n", + " PeriodicSite: S (13.95, 14.12, 3.959) [0.6868, 0.6952, 0.1949]\n", + " PeriodicSite: S (14.13, 14.24, 13.79) [0.6959, 0.701, 0.6791]\n", + " PeriodicSite: S (9.237, 1.177, 6.395) [0.4547, 0.05794, 0.3149]\n", + " PeriodicSite: S (8.776, 1.175, 16.36) [0.4321, 0.05785, 0.8053]\n", + " PeriodicSite: S (8.414, 11.31, 6.444) [0.4142, 0.5569, 0.3173]\n", + " PeriodicSite: S (8.754, 11.34, 16.22) [0.4309, 0.5582, 0.7988]\n", + " PeriodicSite: S (19.19, 1.285, 6.139) [0.9446, 0.06326, 0.3022]\n", + " PeriodicSite: S (19.1, 1.147, 16.57) [0.9406, 0.05648, 0.8157]\n", + " PeriodicSite: S (19.1, 11.38, 6.315) [0.9401, 0.5601, 0.3109]\n", + " PeriodicSite: S (19.13, 11.72, 16.22) [0.9416, 0.5772, 0.7983]\n", + " PeriodicSite: S (1.437, 1.265, 3.726) [0.07074, 0.06227, 0.1834]\n", + " PeriodicSite: S (1.352, 1.085, 14.28) [0.06657, 0.0534, 0.7029]\n", + " PeriodicSite: S (1.313, 11.18, 3.97) [0.06466, 0.5502, 0.1954]\n", + " PeriodicSite: S (1.481, 11.39, 14.05) [0.07289, 0.5608, 0.6915]\n", + " PeriodicSite: S (11.25, 1.091, 3.362) [0.5541, 0.05373, 0.1655]\n", + " PeriodicSite: S (11.05, 0.8888, 13.77) [0.5439, 0.04375, 0.6778]\n", + " PeriodicSite: S (10.95, 11.56, 4.241) [0.5389, 0.5689, 0.2088]\n", + " PeriodicSite: S (10.92, 11.26, 13.97) [0.5376, 0.5542, 0.6878]\n", + " PeriodicSite: S (5.648, 3.677, 6.597) [0.2781, 0.181, 0.3248]\n", + " PeriodicSite: S (5.777, 3.702, 16.35) [0.2844, 0.1823, 0.8048]\n", + " PeriodicSite: S (6.129, 13.83, 6.007) [0.3017, 0.6806, 0.2957]\n", + " PeriodicSite: S (6.422, 14.51, 16.4) [0.3162, 0.7143, 0.8075]\n", + " PeriodicSite: S (16.48, 3.328, 5.939) [0.8113, 0.1639, 0.2924]\n", + " PeriodicSite: S (16.17, 3.962, 16.69) [0.7961, 0.195, 0.8219]\n", + " PeriodicSite: S (16.33, 14.26, 6.192) [0.8041, 0.7019, 0.3049]\n", + " PeriodicSite: S (16.8, 14.22, 15.72) [0.827, 0.7, 0.7741]\n", + " PeriodicSite: S (7.296, 2.457, 12.72) [0.3592, 0.121, 0.6262]\n", + " PeriodicSite: S (7.705, 13.02, 2.648) [0.3793, 0.6411, 0.1303]\n", + " PeriodicSite: S (17.65, 2.433, 2.539) [0.8688, 0.1198, 0.125]\n", + " PeriodicSite: S (17.84, 12.82, 2.593) [0.8784, 0.631, 0.1277]\n", + " PeriodicSite: S (18.01, 12.44, 12.23) [0.8866, 0.6122, 0.6021]\n", + " PeriodicSite: S (4.036, 8.591, 9.022) [0.1987, 0.4229, 0.4441]\n", + " PeriodicSite: S (3.943, 9.058, 19.04) [0.1941, 0.4459, 0.9373]\n", + " PeriodicSite: S (4.268, 18.95, 8.996) [0.2101, 0.9331, 0.4429]\n", + " PeriodicSite: S (3.994, 19.03, 19.2) [0.1966, 0.9369, 0.9451]\n", + " PeriodicSite: S (14.01, 8.855, 8.999) [0.6895, 0.4359, 0.4431]\n", + " PeriodicSite: S (13.98, 9.117, 19.11) [0.6883, 0.4488, 0.9409]\n", + " PeriodicSite: S (14.41, 19.34, 9.183) [0.7093, 0.9521, 0.4521]\n", + " PeriodicSite: S (14.11, 19.17, 19.17) [0.6945, 0.9437, 0.9437]\n", + " PeriodicSite: S (9.039, 6.645, 0.9961) [0.445, 0.3272, 0.04904]\n", + " PeriodicSite: S (8.814, 6.202, 10.82) [0.4339, 0.3053, 0.5325]\n", + " PeriodicSite: S (8.849, 16.77, 0.7711) [0.4356, 0.8254, 0.03796]\n", + " PeriodicSite: S (9.138, 15.99, 11.72) [0.4499, 0.787, 0.5768]\n", + " PeriodicSite: S (18.74, 6.447, 1.144) [0.9227, 0.3174, 0.0563]\n", + " PeriodicSite: S (19.14, 6.159, 11.91) [0.9424, 0.3032, 0.5865]\n", + " PeriodicSite: S (19.26, 16.84, 1.128) [0.9484, 0.8292, 0.05555]\n", + " PeriodicSite: S (19.14, 16.21, 11.17) [0.9425, 0.7979, 0.5497]\n", + " PeriodicSite: S (1.191, 6.325, 9.566) [0.05861, 0.3114, 0.471]\n", + " PeriodicSite: S (0.9424, 6.546, 19.26) [0.0464, 0.3223, 0.9484]\n", + " PeriodicSite: S (1.261, 16.4, 8.856) [0.0621, 0.8075, 0.436]\n", + " PeriodicSite: S (1.416, 16.12, 19.06) [0.0697, 0.7935, 0.9385]\n", + " PeriodicSite: S (11.27, 6.032, 8.54) [0.5547, 0.297, 0.4204]\n", + " PeriodicSite: S (11.59, 6.463, 19.08) [0.5704, 0.3182, 0.9395]\n", + " PeriodicSite: S (11.29, 16.45, 9.032) [0.5559, 0.8098, 0.4446]\n", + " PeriodicSite: S (11.32, 16.72, 18.85) [0.5571, 0.8232, 0.9282]\n", + " PeriodicSite: S (5.956, 9.293, 1.402) [0.2932, 0.4575, 0.069]\n", + " PeriodicSite: S (6.151, 8.962, 11.69) [0.3028, 0.4412, 0.5756]\n", + " PeriodicSite: S (6.776, 19.05, 1.059) [0.3336, 0.9381, 0.05214]\n", + " PeriodicSite: S (6.823, 19.07, 11.27) [0.3359, 0.9388, 0.5549]\n", + " PeriodicSite: S (15.98, 9.319, 1.457) [0.7868, 0.4588, 0.07174]\n", + " PeriodicSite: S (16.25, 8.856, 11.5) [0.8002, 0.436, 0.5663]\n", + " PeriodicSite: S (16.64, 19.14, 1.036) [0.8193, 0.9422, 0.051]\n", + " PeriodicSite: S (16.77, 19.29, 11.49) [0.8258, 0.9495, 0.5657]\n", + " PeriodicSite: S (7.384, 7.41, 17.82) [0.3635, 0.3648, 0.8772]\n", + " PeriodicSite: S (7.856, 17.5, 7.868) [0.3867, 0.8616, 0.3874]\n", + " PeriodicSite: S (18.02, 7.775, 8.015) [0.887, 0.3828, 0.3946]\n", + " PeriodicSite: S (17.72, 18.15, 7.642) [0.8726, 0.8933, 0.3762]\n", + " PeriodicSite: P (5.446, 20.12, 0.1075) [0.2681, 0.9903, 0.005294]\n", + " PeriodicSite: P (5.349, 20.16, 10.21) [0.2633, 0.9926, 0.5027]\n", + " PeriodicSite: P (4.947, 10.38, 0.01096) [0.2436, 0.511, 0.0005417]\n", + " PeriodicSite: P (4.933, 9.918, 10.35) [0.2429, 0.4883, 0.5097]\n", + " PeriodicSite: P (15.35, 0.004019, 20.2) [0.7557, 0.0001924, 0.9943]\n", + " PeriodicSite: P (15.52, 0.2576, 10.4) [0.7641, 0.01268, 0.512]\n", + " PeriodicSite: P (15.09, 10.34, 20.25) [0.7429, 0.509, 0.9971]\n", + " PeriodicSite: P (15.06, 10.06, 10.25) [0.7415, 0.4954, 0.5048]\n", + " PeriodicSite: P (4.585, 4.728, 5.136) [0.2257, 0.2328, 0.2528]\n", + " PeriodicSite: P (4.85, 5.144, 15.17) [0.2388, 0.2532, 0.7466]\n", + " PeriodicSite: P (5.25, 15.36, 5.03) [0.2585, 0.7563, 0.2476]\n", + " PeriodicSite: P (5.152, 15.49, 15.15) [0.2536, 0.7625, 0.746]\n", + " PeriodicSite: P (15.35, 4.859, 4.962) [0.7557, 0.2392, 0.2443]\n", + " PeriodicSite: P (14.86, 5.128, 15.45) [0.7316, 0.2525, 0.7607]\n", + " PeriodicSite: P (15.02, 15.43, 5.154) [0.7395, 0.7596, 0.2538]\n", + " PeriodicSite: P (15.43, 15.47, 14.78) [0.7598, 0.7615, 0.7276]\n", + " PeriodicSite: P (0.1663, 0.1431, 5.077) [0.008189, 0.007045, 0.2499]\n", + " PeriodicSite: P (0.03327, 0.0433, 15.47) [0.001642, 0.002133, 0.7616]\n", + " PeriodicSite: P (20.17, 10.21, 4.982) [0.9928, 0.5025, 0.2453]\n", + " PeriodicSite: P (0.04511, 10.33, 15.2) [0.00222, 0.5087, 0.7482]\n", + " PeriodicSite: P (10.06, 0.2123, 4.849) [0.495, 0.01045, 0.2387]\n", + " PeriodicSite: P (9.747, 20.15, 15.12) [0.4799, 0.9921, 0.7441]\n", + " PeriodicSite: P (9.489, 10.31, 5.079) [0.4671, 0.5074, 0.25]\n", + " PeriodicSite: P (9.957, 10.03, 15.27) [0.4902, 0.4938, 0.7515]\n", + " PeriodicSite: P (20.15, 5.344, 0.1582) [0.992, 0.2631, 0.007796]\n", + " PeriodicSite: P (20.23, 5.151, 10.47) [0.9962, 0.2536, 0.5157]\n", + " PeriodicSite: P (0.2525, 15.33, 0.2683) [0.01243, 0.7547, 0.01321]\n", + " PeriodicSite: P (20.3, 15.11, 9.993) [0.9993, 0.7439, 0.492]\n", + " PeriodicSite: P (10.42, 5.434, 0.1042) [0.513, 0.2675, 0.005131]\n", + " PeriodicSite: P (10.09, 5.039, 9.773) [0.4969, 0.2481, 0.4812]\n", + " PeriodicSite: P (10.18, 15.44, 20.13) [0.5012, 0.7601, 0.9908]\n", + " PeriodicSite: P (10.31, 15.01, 10.17) [0.5073, 0.7388, 0.5006],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.512, 5.301, 3.942) [0.07443, 0.261, 0.1941]\n", + " PeriodicSite: Li (20.23, 3.507, 13.31) [0.996, 0.1726, 0.6552]\n", + " PeriodicSite: Li (0.4745, 13.08, 5.869) [0.02335, 0.6442, 0.2889]\n", + " PeriodicSite: Li (0.00963, 12.99, 17.73) [0.000473, 0.6397, 0.8727]\n", + " PeriodicSite: Li (15.45, 1.549, 6.855) [0.7607, 0.07624, 0.3375]\n", + " PeriodicSite: Li (13.11, 2.385, 15.3) [0.6455, 0.1174, 0.7535]\n", + " PeriodicSite: Li (13.16, 10.57, 3.53) [0.6477, 0.5205, 0.1738]\n", + " PeriodicSite: Li (17.06, 8.571, 15.59) [0.8398, 0.422, 0.7677]\n", + " PeriodicSite: Li (3.861, 4.344, 8.109) [0.1901, 0.2139, 0.3992]\n", + " PeriodicSite: Li (0.8745, 2.501, 19.64) [0.04306, 0.1231, 0.967]\n", + " PeriodicSite: Li (3.043, 8.227, 5.031) [0.1498, 0.405, 0.2477]\n", + " PeriodicSite: Li (7.083, 9.84, 17.12) [0.3487, 0.4844, 0.8427]\n", + " PeriodicSite: Li (12.34, 4.539, 6.962) [0.6075, 0.2235, 0.3428]\n", + " PeriodicSite: Li (13.02, 20.13, 17.2) [0.641, 0.9912, 0.847]\n", + " PeriodicSite: Li (10.36, 9.178, 12.5) [0.5099, 0.4518, 0.6152]\n", + " PeriodicSite: Li (10.16, 18.46, 18.82) [0.5002, 0.9087, 0.9266]\n", + " PeriodicSite: Li (6.437, 1.409, 5.736) [0.3169, 0.06938, 0.2824]\n", + " PeriodicSite: Li (4.963, 18.56, 12.83) [0.2443, 0.9139, 0.6318]\n", + " PeriodicSite: Li (2.245, 10.84, 6.116) [0.1105, 0.5336, 0.3011]\n", + " PeriodicSite: Li (6.904, 10.46, 13.75) [0.3399, 0.5151, 0.6767]\n", + " PeriodicSite: Li (12.68, 0.04021, 7.587) [0.6244, 0.001974, 0.3735]\n", + " PeriodicSite: Li (10.46, 1.949, 18.45) [0.5149, 0.09596, 0.9082]\n", + " PeriodicSite: Li (13.26, 14.61, 8.781) [0.6528, 0.7192, 0.4323]\n", + " PeriodicSite: Li (12.21, 11.41, 19.67) [0.6011, 0.5616, 0.9684]\n", + " PeriodicSite: Li (0.4656, 3.145, 7.184) [0.02292, 0.1548, 0.3537]\n", + " PeriodicSite: Li (0.5797, 2.598, 16.81) [0.02854, 0.1279, 0.8274]\n", + " PeriodicSite: Li (2.19, 15.14, 6.463) [0.1078, 0.7454, 0.3182]\n", + " PeriodicSite: Li (3.703, 14.42, 18.46) [0.1823, 0.71, 0.9087]\n", + " PeriodicSite: Li (13.51, 1.731, 5.325) [0.6652, 0.0852, 0.2622]\n", + " PeriodicSite: Li (15.12, 2.041, 17.34) [0.7446, 0.1005, 0.8535]\n", + " PeriodicSite: Li (11.79, 11.76, 9.894) [0.5806, 0.5789, 0.4871]\n", + " PeriodicSite: Li (16.99, 17.3, 20.1) [0.8364, 0.8519, 0.9897]\n", + " PeriodicSite: Li (6.409, 0.3819, 2.814) [0.3155, 0.0188, 0.1385]\n", + " PeriodicSite: Li (0.286, 18.63, 2.167) [0.01407, 0.9173, 0.1067]\n", + " PeriodicSite: Li (2.869, 14.46, 9.258) [0.1413, 0.7118, 0.4558]\n", + " PeriodicSite: Li (2.042, 16.93, 15.34) [0.1006, 0.8336, 0.7551]\n", + " PeriodicSite: Li (14.96, 4.013, 7.95) [0.7365, 0.1976, 0.3914]\n", + " PeriodicSite: Li (13.99, 4.616, 18.22) [0.6889, 0.2272, 0.8969]\n", + " PeriodicSite: Li (17.27, 15.75, 8.432) [0.8505, 0.7752, 0.4151]\n", + " PeriodicSite: Li (10.07, 13.46, 17.18) [0.4956, 0.6629, 0.8458]\n", + " PeriodicSite: Li (3.119, 1.965, 5.542) [0.1535, 0.09674, 0.2728]\n", + " PeriodicSite: Li (2.558, 0.1583, 18.19) [0.126, 0.007795, 0.8954]\n", + " PeriodicSite: Li (4.564, 12.54, 5.321) [0.2247, 0.6174, 0.262]\n", + " PeriodicSite: Li (17.91, 14.57, 3.929) [0.8817, 0.7172, 0.1935]\n", + " PeriodicSite: Li (11.06, 2.112, 9.35) [0.5446, 0.104, 0.4603]\n", + " PeriodicSite: Li (17.19, 20.19, 15.58) [0.8461, 0.9939, 0.7671]\n", + " PeriodicSite: Li (13.3, 10.36, 6.829) [0.6548, 0.51, 0.3362]\n", + " PeriodicSite: Li (14.39, 8.474, 16.66) [0.7085, 0.4172, 0.82]\n", + " PeriodicSite: Li (2.774, 12.29, 15.34) [0.1366, 0.605, 0.7551]\n", + " PeriodicSite: Li (1.563, 11.67, 9.296) [0.07692, 0.5744, 0.4577]\n", + " PeriodicSite: Li (1.434, 15.94, 3.233) [0.07059, 0.785, 0.1591]\n", + " PeriodicSite: Li (2.298, 1.413, 10.11) [0.1131, 0.06957, 0.4977]\n", + " PeriodicSite: Li (12.62, 5.605, 3.348) [0.6214, 0.2759, 0.1648]\n", + " PeriodicSite: Li (11.63, 7.061, 14.79) [0.5726, 0.3476, 0.7284]\n", + " PeriodicSite: Li (11.02, 13.1, 6.271) [0.5428, 0.645, 0.3087]\n", + " PeriodicSite: Li (12.87, 19.73, 14.4) [0.6335, 0.9715, 0.7088]\n", + " PeriodicSite: Li (3.181, 5.657, 1.297) [0.1566, 0.2785, 0.06387]\n", + " PeriodicSite: Li (2.847, 5.198, 10.9) [0.1402, 0.2559, 0.5369]\n", + " PeriodicSite: Li (6.52, 16.68, 19.23) [0.321, 0.8213, 0.9465]\n", + " PeriodicSite: Li (3.026, 19.51, 14.64) [0.149, 0.9604, 0.7207]\n", + " PeriodicSite: Li (13.92, 3.569, 1.266) [0.6854, 0.1757, 0.06231]\n", + " PeriodicSite: Li (10.77, 5.668, 12.68) [0.5304, 0.279, 0.6241]\n", + " PeriodicSite: Li (12.71, 16.13, 4.288) [0.6258, 0.7943, 0.2111]\n", + " PeriodicSite: Li (10.34, 16.84, 13.75) [0.5091, 0.8293, 0.6772]\n", + " PeriodicSite: Li (4.108, 10.62, 17.65) [0.2023, 0.5227, 0.869]\n", + " PeriodicSite: Li (4.917, 7.266, 11.58) [0.2421, 0.3577, 0.57]\n", + " PeriodicSite: Li (5.034, 17.14, 1.611) [0.2478, 0.8437, 0.07932]\n", + " PeriodicSite: Li (2.653, 17.54, 10.43) [0.1306, 0.8637, 0.5135]\n", + " PeriodicSite: Li (10.52, 8.557, 1.93) [0.5181, 0.4213, 0.09503]\n", + " PeriodicSite: Li (14.49, 6.061, 12.26) [0.7133, 0.2984, 0.6035]\n", + " PeriodicSite: Li (10.61, 18.3, 2.267) [0.5222, 0.901, 0.1116]\n", + " PeriodicSite: Li (13.62, 15.73, 11.55) [0.6704, 0.7746, 0.5688]\n", + " PeriodicSite: Li (0.4031, 7.82, 1.338) [0.01984, 0.385, 0.06588]\n", + " PeriodicSite: Li (17.38, 5.895, 9.301) [0.8554, 0.2902, 0.4579]\n", + " PeriodicSite: Li (3.185, 18.46, 5.099) [0.1568, 0.909, 0.251]\n", + " PeriodicSite: Li (0.9189, 18.99, 12.36) [0.04523, 0.9349, 0.6087]\n", + " PeriodicSite: Li (9.651, 7.185, 4.113) [0.4751, 0.3537, 0.2025]\n", + " PeriodicSite: Li (12.96, 10.73, 15.8) [0.6381, 0.5285, 0.778]\n", + " PeriodicSite: Li (14.62, 15.69, 2.204) [0.7198, 0.7725, 0.1085]\n", + " PeriodicSite: Li (12.84, 14.84, 16.18) [0.6321, 0.7306, 0.7966]\n", + " PeriodicSite: Li (6.045, 8.091, 5.212) [0.2976, 0.3983, 0.2566]\n", + " PeriodicSite: Li (20.07, 12.0, 12.54) [0.988, 0.5909, 0.6172]\n", + " PeriodicSite: Li (19.3, 17.12, 5.854) [0.9501, 0.8427, 0.2882]\n", + " PeriodicSite: Li (6.27, 18.05, 15.38) [0.3087, 0.8888, 0.7573]\n", + " PeriodicSite: Li (17.1, 10.7, 3.627) [0.8419, 0.5266, 0.1785]\n", + " PeriodicSite: Li (12.58, 7.184, 10.27) [0.6193, 0.3537, 0.5056]\n", + " PeriodicSite: Li (13.33, 16.8, 0.0259) [0.6564, 0.827, 0.00128]\n", + " PeriodicSite: Li (12.09, 18.68, 10.79) [0.5951, 0.9194, 0.5311]\n", + " PeriodicSite: Li (4.423, 2.797, 19.59) [0.2178, 0.1377, 0.9643]\n", + " PeriodicSite: Li (3.734, 9.68, 13.48) [0.1838, 0.4766, 0.6634]\n", + " PeriodicSite: Li (3.384, 0.08836, 3.38) [0.1666, 0.004349, 0.1664]\n", + " PeriodicSite: Li (1.123, 15.64, 12.69) [0.05528, 0.7702, 0.6248]\n", + " PeriodicSite: Li (14.64, 8.065, 4.25) [0.7205, 0.397, 0.2093]\n", + " PeriodicSite: Li (14.04, 9.119, 13.01) [0.6912, 0.4489, 0.6407]\n", + " PeriodicSite: Li (13.04, 19.24, 4.485) [0.6419, 0.9471, 0.2208]\n", + " PeriodicSite: Li (17.96, 4.642, 15.37) [0.8843, 0.2285, 0.7566]\n", + " PeriodicSite: Li (9.351, 3.524, 3.233) [0.4603, 0.1735, 0.1591]\n", + " PeriodicSite: Li (9.086, 0.4859, 12.33) [0.4473, 0.02392, 0.6071]\n", + " PeriodicSite: Li (6.776, 10.69, 4.047) [0.3336, 0.5261, 0.1992]\n", + " PeriodicSite: Li (6.204, 12.47, 14.95) [0.3054, 0.6141, 0.7359]\n", + " PeriodicSite: Li (18.26, 2.745, 5.047) [0.8988, 0.1351, 0.2485]\n", + " PeriodicSite: Li (13.6, 3.065, 10.1) [0.6696, 0.1509, 0.4974]\n", + " PeriodicSite: Li (20.13, 12.89, 2.65) [0.9911, 0.6345, 0.1305]\n", + " PeriodicSite: Li (16.97, 10.36, 13.44) [0.8353, 0.5102, 0.6619]\n", + " PeriodicSite: Li (6.255, 18.27, 5.626) [0.3079, 0.8995, 0.277]\n", + " PeriodicSite: Li (9.57, 2.949, 14.61) [0.4711, 0.1452, 0.7191]\n", + " PeriodicSite: Li (6.818, 13.36, 20.28) [0.3356, 0.6577, 0.9983]\n", + " PeriodicSite: Li (9.767, 13.01, 13.64) [0.4808, 0.6404, 0.6715]\n", + " PeriodicSite: Li (15.26, 18.68, 3.074) [0.7514, 0.9198, 0.1513]\n", + " PeriodicSite: Li (18.46, 0.4314, 12.41) [0.9087, 0.02123, 0.6108]\n", + " PeriodicSite: Li (17.72, 14.93, 1.12) [0.8722, 0.735, 0.05512]\n", + " PeriodicSite: Li (16.44, 14.9, 12.07) [0.8093, 0.7337, 0.5944]\n", + " PeriodicSite: Li (7.557, 5.101, 5.811) [0.372, 0.2511, 0.2861]\n", + " PeriodicSite: Li (6.56, 0.5364, 13.12) [0.323, 0.02641, 0.646]\n", + " PeriodicSite: Li (10.0, 12.62, 1.986) [0.4923, 0.6211, 0.09776]\n", + " PeriodicSite: Li (4.835, 13.11, 11.53) [0.238, 0.6456, 0.5676]\n", + " PeriodicSite: Li (20.15, 2.012, 2.526) [0.992, 0.09903, 0.1244]\n", + " PeriodicSite: Li (0.1478, 7.898, 11.97) [0.007278, 0.3888, 0.5892]\n", + " PeriodicSite: Li (15.67, 13.24, 1.23) [0.7714, 0.6516, 0.06056]\n", + " PeriodicSite: Li (15.21, 12.09, 13.37) [0.7486, 0.595, 0.6581]\n", + " PeriodicSite: Li (4.463, 0.4049, 7.615) [0.2197, 0.01993, 0.3749]\n", + " PeriodicSite: Li (7.039, 2.25, 15.15) [0.3465, 0.1107, 0.7461]\n", + " PeriodicSite: Li (5.195, 13.75, 2.095) [0.2557, 0.6771, 0.1031]\n", + " PeriodicSite: Li (8.07, 7.17, 15.73) [0.3973, 0.353, 0.7743]\n", + " PeriodicSite: Li (16.76, 4.978, 1.844) [0.8253, 0.2451, 0.09081]\n", + " PeriodicSite: Li (15.13, 18.58, 12.69) [0.7448, 0.9147, 0.6248]\n", + " PeriodicSite: Li (13.51, 13.68, 19.78) [0.6652, 0.6736, 0.9738]\n", + " PeriodicSite: Li (18.29, 12.45, 9.988) [0.9002, 0.6129, 0.4917]\n", + " PeriodicSite: Li (7.128, 7.052, 0.04811) [0.3509, 0.3472, 0.002371]\n", + " PeriodicSite: Li (5.156, 3.04, 12.62) [0.2538, 0.1497, 0.6214]\n", + " PeriodicSite: Li (7.977, 10.68, 1.284) [0.3927, 0.5258, 0.06322]\n", + " PeriodicSite: Li (8.085, 10.97, 10.44) [0.398, 0.5399, 0.5139]\n", + " PeriodicSite: Li (16.15, 1.253, 3.038) [0.7952, 0.0617, 0.1496]\n", + " PeriodicSite: Li (17.32, 3.972, 11.07) [0.8525, 0.1955, 0.5448]\n", + " PeriodicSite: Li (1.523, 10.55, 19.83) [0.07496, 0.5196, 0.9763]\n", + " PeriodicSite: Li (18.71, 13.24, 14.4) [0.9213, 0.6516, 0.7089]\n", + " PeriodicSite: Li (8.101, 2.085, 0.1705) [0.3988, 0.1026, 0.008396]\n", + " PeriodicSite: Li (6.719, 2.927, 10.54) [0.3308, 0.1441, 0.5191]\n", + " PeriodicSite: Li (8.474, 13.35, 4.374) [0.4172, 0.6573, 0.2153]\n", + " PeriodicSite: Li (4.415, 15.79, 12.49) [0.2174, 0.7775, 0.6149]\n", + " PeriodicSite: Li (16.56, 2.913, 0.2052) [0.8154, 0.1434, 0.01011]\n", + " PeriodicSite: Li (1.609, 6.904, 15.2) [0.07921, 0.3399, 0.7485]\n", + " PeriodicSite: Li (5.191, 13.58, 8.305) [0.2555, 0.6683, 0.4089]\n", + " PeriodicSite: Li (15.57, 13.16, 10.5) [0.7663, 0.648, 0.5167]\n", + " PeriodicSite: Li (15.08, 12.57, 5.038) [0.7425, 0.6186, 0.248]\n", + " PeriodicSite: Li (5.196, 8.103, 15.56) [0.2558, 0.3989, 0.7661]\n", + " PeriodicSite: Li (7.451, 14.63, 11.36) [0.3668, 0.7201, 0.5592]\n", + " PeriodicSite: Li (2.559, 19.63, 0.8492) [0.126, 0.9664, 0.04181]\n", + " PeriodicSite: Li (16.01, 9.86, 6.922) [0.7884, 0.4854, 0.3408]\n", + " PeriodicSite: Li (2.839, 5.064, 18.28) [0.1398, 0.2493, 0.8998]\n", + " PeriodicSite: Li (17.36, 19.83, 5.519) [0.8547, 0.9765, 0.2717]\n", + " PeriodicSite: Li (20.07, 18.22, 18.53) [0.9882, 0.8968, 0.912]\n", + " PeriodicSite: Li (5.809, 10.08, 7.169) [0.286, 0.4964, 0.353]\n", + " PeriodicSite: Li (7.247, 5.254, 18.01) [0.3568, 0.2587, 0.8866]\n", + " PeriodicSite: Li (8.111, 20.22, 7.361) [0.3993, 0.9952, 0.3624]\n", + " PeriodicSite: Li (8.679, 15.59, 16.65) [0.4273, 0.7676, 0.8198]\n", + " PeriodicSite: Li (17.98, 9.042, 9.751) [0.8854, 0.4451, 0.4801]\n", + " PeriodicSite: Li (17.46, 9.209, 19.75) [0.8596, 0.4533, 0.9721]\n", + " PeriodicSite: Li (17.93, 20.27, 8.526) [0.8828, 0.9978, 0.4197]\n", + " PeriodicSite: Li (18.42, 16.8, 15.36) [0.9067, 0.8269, 0.7563]\n", + " PeriodicSite: Li (7.253, 5.723, 9.212) [0.3571, 0.2817, 0.4535]\n", + " PeriodicSite: Li (3.985, 2.101, 15.88) [0.1962, 0.1034, 0.782]\n", + " PeriodicSite: Li (9.223, 17.96, 9.488) [0.4541, 0.8843, 0.4671]\n", + " PeriodicSite: Li (16.44, 11.66, 16.76) [0.8094, 0.5742, 0.8252]\n", + " PeriodicSite: Li (19.64, 9.272, 7.813) [0.9671, 0.4565, 0.3846]\n", + " PeriodicSite: Li (16.91, 5.876, 18.91) [0.8327, 0.2893, 0.9308]\n", + " PeriodicSite: Li (16.5, 17.44, 9.783) [0.8124, 0.8587, 0.4816]\n", + " PeriodicSite: Li (15.91, 15.24, 18.27) [0.7834, 0.7501, 0.8994]\n", + " PeriodicSite: Li (9.602, 8.125, 8.355) [0.4727, 0.4, 0.4113]\n", + " PeriodicSite: Li (5.815, 4.587, 2.116) [0.2863, 0.2258, 0.1042]\n", + " PeriodicSite: Li (5.701, 17.15, 8.466) [0.2807, 0.8442, 0.4168]\n", + " PeriodicSite: Li (7.381, 15.47, 1.832) [0.3634, 0.7618, 0.0902]\n", + " PeriodicSite: Li (15.46, 7.264, 8.372) [0.7612, 0.3576, 0.4122]\n", + " PeriodicSite: Li (19.75, 7.689, 18.13) [0.9722, 0.3785, 0.8925]\n", + " PeriodicSite: Li (15.29, 18.37, 6.786) [0.7527, 0.9044, 0.3341]\n", + " PeriodicSite: Li (15.52, 18.71, 17.12) [0.764, 0.9211, 0.8431]\n", + " PeriodicSite: Li (7.306, 4.769, 12.31) [0.3597, 0.2348, 0.6062]\n", + " PeriodicSite: Li (4.834, 7.021, 18.66) [0.238, 0.3456, 0.9189]\n", + " PeriodicSite: Li (9.205, 17.68, 5.475) [0.4532, 0.8705, 0.2696]\n", + " PeriodicSite: Li (12.67, 19.75, 0.732) [0.6237, 0.9723, 0.03604]\n", + " PeriodicSite: Li (18.29, 6.737, 5.437) [0.9006, 0.3317, 0.2677]\n", + " PeriodicSite: Li (14.35, 7.243, 0.4182) [0.7065, 0.3566, 0.02059]\n", + " PeriodicSite: Li (20.06, 17.97, 8.816) [0.9876, 0.8845, 0.434]\n", + " PeriodicSite: Li (18.45, 0.654, 0.6443) [0.9082, 0.03219, 0.03172]\n", + " PeriodicSite: Li (3.696, 10.34, 2.8) [0.182, 0.5089, 0.1378]\n", + " PeriodicSite: Li (9.591, 7.771, 18.63) [0.4722, 0.3826, 0.9173]\n", + " PeriodicSite: Li (8.167, 15.31, 7.306) [0.4021, 0.7539, 0.3597]\n", + " PeriodicSite: Li (6.209, 19.97, 17.16) [0.3057, 0.9829, 0.845]\n", + " PeriodicSite: Li (19.88, 6.425, 7.892) [0.9789, 0.3163, 0.3885]\n", + " PeriodicSite: Li (18.1, 12.0, 0.5789) [0.891, 0.5908, 0.02851]\n", + " PeriodicSite: Li (2.949, 15.69, 0.6884) [0.1452, 0.7724, 0.03389]\n", + " PeriodicSite: Li (15.53, 1.91, 13.45) [0.7648, 0.09404, 0.662]\n", + " PeriodicSite: Cl (7.417, 12.73, 12.85) [0.3651, 0.6267, 0.6325]\n", + " PeriodicSite: Cl (2.373, 12.57, 17.9) [0.1168, 0.6186, 0.881]\n", + " PeriodicSite: Cl (12.87, 17.83, 12.77) [0.6337, 0.8777, 0.6289]\n", + " PeriodicSite: Cl (17.49, 7.775, 17.65) [0.861, 0.3828, 0.8689]\n", + " PeriodicSite: Cl (7.416, 2.898, 2.155) [0.3651, 0.1427, 0.1061]\n", + " PeriodicSite: Cl (7.317, 7.015, 7.239) [0.3602, 0.3453, 0.3564]\n", + " PeriodicSite: Cl (12.8, 12.71, 7.661) [0.6301, 0.6259, 0.3772]\n", + " PeriodicSite: Cl (2.147, 7.553, 2.733) [0.1057, 0.3719, 0.1345]\n", + " PeriodicSite: Cl (2.316, 7.801, 12.91) [0.114, 0.3841, 0.6355]\n", + " PeriodicSite: Cl (12.53, 12.84, 17.31) [0.6167, 0.6323, 0.8521]\n", + " PeriodicSite: Cl (17.82, 17.76, 17.82) [0.8773, 0.8746, 0.8771]\n", + " PeriodicSite: Cl (2.689, 2.243, 7.974) [0.1324, 0.1104, 0.3926]\n", + " PeriodicSite: Cl (12.69, 2.571, 17.58) [0.6247, 0.1266, 0.8655]\n", + " PeriodicSite: Cl (12.78, 7.967, 2.456) [0.6292, 0.3922, 0.1209]\n", + " PeriodicSite: Cl (17.87, 2.347, 13.18) [0.8798, 0.1156, 0.6488]\n", + " PeriodicSite: Cl (7.893, 17.71, 17.32) [0.3886, 0.872, 0.8527]\n", + " PeriodicSite: Cl (0.5163, 20.26, 0.3619) [0.02541, 0.9972, 0.01782]\n", + " PeriodicSite: Cl (0.5714, 19.77, 10.24) [0.02812, 0.9733, 0.5043]\n", + " PeriodicSite: Cl (19.72, 10.14, 0.513) [0.9707, 0.4992, 0.02526]\n", + " PeriodicSite: Cl (20.0, 10.27, 10.36) [0.9847, 0.5055, 0.5102]\n", + " PeriodicSite: Cl (10.62, 0.1853, 20.09) [0.5227, 0.00912, 0.9892]\n", + " PeriodicSite: Cl (10.42, 20.0, 9.954) [0.5132, 0.9848, 0.4901]\n", + " PeriodicSite: Cl (10.17, 10.26, 0.3579) [0.5007, 0.5051, 0.01762]\n", + " PeriodicSite: Cl (9.995, 9.692, 10.25) [0.4921, 0.4771, 0.5047]\n", + " PeriodicSite: Cl (20.06, 4.841, 5.926) [0.9875, 0.2383, 0.2917]\n", + " PeriodicSite: Cl (0.1552, 4.675, 15.56) [0.007645, 0.2302, 0.7661]\n", + " PeriodicSite: Cl (0.05864, 15.27, 4.936) [0.002881, 0.7519, 0.243]\n", + " PeriodicSite: Cl (20.22, 14.79, 14.67) [0.9954, 0.728, 0.7222]\n", + " PeriodicSite: Cl (9.967, 5.165, 4.794) [0.4907, 0.2543, 0.236]\n", + " PeriodicSite: Cl (10.3, 5.143, 14.86) [0.5069, 0.2532, 0.7316]\n", + " PeriodicSite: Cl (9.845, 15.24, 5.406) [0.4847, 0.7504, 0.2661]\n", + " PeriodicSite: Cl (10.65, 14.92, 15.34) [0.5241, 0.7347, 0.7553]\n", + " PeriodicSite: S (4.725, 20.3, 5.25) [0.2326, 0.9992, 0.2585]\n", + " PeriodicSite: S (5.185, 20.22, 14.98) [0.2553, 0.9954, 0.7377]\n", + " PeriodicSite: S (4.767, 10.03, 5.016) [0.2347, 0.4936, 0.247]\n", + " PeriodicSite: S (4.995, 10.38, 15.46) [0.2459, 0.5109, 0.7611]\n", + " PeriodicSite: S (15.19, 20.24, 5.113) [0.7479, 0.9963, 0.2517]\n", + " PeriodicSite: S (14.7, 0.3227, 15.63) [0.7237, 0.01588, 0.7694]\n", + " PeriodicSite: S (14.97, 10.32, 5.045) [0.7368, 0.5082, 0.2484]\n", + " PeriodicSite: S (15.38, 10.22, 15.17) [0.7571, 0.503, 0.7466]\n", + " PeriodicSite: S (5.265, 5.129, 20.15) [0.2592, 0.2525, 0.9921]\n", + " PeriodicSite: S (5.262, 4.782, 10.63) [0.2591, 0.2354, 0.5234]\n", + " PeriodicSite: S (5.421, 15.36, 0.4184) [0.2669, 0.7561, 0.0206]\n", + " PeriodicSite: S (4.942, 15.11, 10.12) [0.2433, 0.7436, 0.4984]\n", + " PeriodicSite: S (15.19, 5.103, 20.25) [0.7477, 0.2512, 0.997]\n", + " PeriodicSite: S (15.38, 5.082, 9.71) [0.7571, 0.2502, 0.4781]\n", + " PeriodicSite: S (15.33, 15.39, 0.1602) [0.7548, 0.7579, 0.007893]\n", + " PeriodicSite: S (15.4, 15.23, 10.06) [0.758, 0.7498, 0.4953]\n", + " PeriodicSite: S (8.783, 3.698, 9.047) [0.4324, 0.1821, 0.4454]\n", + " PeriodicSite: S (9.172, 3.899, 18.99) [0.4515, 0.1919, 0.935]\n", + " PeriodicSite: S (9.112, 13.58, 9.427) [0.4486, 0.6683, 0.4641]\n", + " PeriodicSite: S (8.752, 14.39, 18.98) [0.4309, 0.7084, 0.9344]\n", + " PeriodicSite: S (18.92, 4.172, 8.979) [0.9314, 0.2054, 0.442]\n", + " PeriodicSite: S (19.17, 3.725, 19.12) [0.9437, 0.1834, 0.9413]\n", + " PeriodicSite: S (19.13, 14.14, 8.453) [0.942, 0.6959, 0.4162]\n", + " PeriodicSite: S (19.09, 14.35, 19.32) [0.9398, 0.7064, 0.9512]\n", + " PeriodicSite: S (4.313, 1.27, 1.106) [0.2124, 0.06253, 0.05443]\n", + " PeriodicSite: S (4.092, 0.9015, 11.35) [0.2015, 0.04438, 0.5586]\n", + " PeriodicSite: S (3.558, 11.8, 0.9656) [0.1751, 0.5811, 0.04754]\n", + " PeriodicSite: S (3.422, 11.07, 11.3) [0.1685, 0.545, 0.5562]\n", + " PeriodicSite: S (14.38, 0.8382, 1.455) [0.7081, 0.04126, 0.07164]\n", + " PeriodicSite: S (14.17, 1.222, 11.68) [0.6978, 0.06014, 0.5752]\n", + " PeriodicSite: S (13.86, 11.58, 1.244) [0.6826, 0.5701, 0.06124]\n", + " PeriodicSite: S (14.0, 11.31, 11.34) [0.6893, 0.5567, 0.5583]\n", + " PeriodicSite: S (6.281, 1.07, 8.949) [0.3092, 0.0527, 0.4406]\n", + " PeriodicSite: S (6.467, 1.242, 19.01) [0.3184, 0.06113, 0.9361]\n", + " PeriodicSite: S (5.929, 11.47, 9.274) [0.2919, 0.5646, 0.4566]\n", + " PeriodicSite: S (5.809, 11.29, 19.07) [0.286, 0.5559, 0.9387]\n", + " PeriodicSite: S (16.54, 1.731, 9.365) [0.8143, 0.08519, 0.4611]\n", + " PeriodicSite: S (16.59, 1.162, 19.16) [0.817, 0.05722, 0.9434]\n", + " PeriodicSite: S (16.38, 11.08, 8.895) [0.8066, 0.5453, 0.4379]\n", + " PeriodicSite: S (16.24, 11.38, 19.34) [0.7994, 0.5605, 0.9522]\n", + " PeriodicSite: S (0.8666, 3.983, 1.553) [0.04266, 0.1961, 0.07644]\n", + " PeriodicSite: S (1.274, 3.611, 11.21) [0.0627, 0.1778, 0.5519]\n", + " PeriodicSite: S (1.321, 14.29, 1.37) [0.06505, 0.7037, 0.06745]\n", + " PeriodicSite: S (1.016, 13.78, 10.72) [0.05002, 0.6784, 0.5278]\n", + " PeriodicSite: S (11.3, 3.999, 1.32) [0.5564, 0.1969, 0.06497]\n", + " PeriodicSite: S (11.49, 3.851, 11.0) [0.5658, 0.1896, 0.5414]\n", + " PeriodicSite: S (11.56, 14.39, 0.7821) [0.5689, 0.7085, 0.03851]\n", + " PeriodicSite: S (11.67, 13.87, 11.52) [0.5745, 0.6828, 0.5673]\n", + " PeriodicSite: S (2.586, 2.593, 18.13) [0.1273, 0.1276, 0.8923]\n", + " PeriodicSite: S (2.686, 12.78, 7.425) [0.1323, 0.6293, 0.3655]\n", + " PeriodicSite: S (13.03, 2.291, 7.707) [0.6416, 0.1128, 0.3794]\n", + " PeriodicSite: S (8.74, 9.284, 3.66) [0.4303, 0.457, 0.1802]\n", + " PeriodicSite: S (8.65, 9.025, 14.35) [0.4258, 0.4443, 0.7067]\n", + " PeriodicSite: S (8.816, 19.55, 3.715) [0.434, 0.9625, 0.1829]\n", + " PeriodicSite: S (8.558, 19.09, 14.19) [0.4213, 0.94, 0.6985]\n", + " PeriodicSite: S (18.91, 8.884, 3.827) [0.9308, 0.4374, 0.1884]\n", + " PeriodicSite: S (19.16, 8.859, 14.38) [0.9433, 0.4362, 0.7081]\n", + " PeriodicSite: S (18.89, 19.12, 4.098) [0.9302, 0.9412, 0.2017]\n", + " PeriodicSite: S (19.09, 19.1, 14.18) [0.9397, 0.9402, 0.698]\n", + " PeriodicSite: S (3.572, 6.241, 6.176) [0.1759, 0.3072, 0.3041]\n", + " PeriodicSite: S (3.578, 6.456, 16.41) [0.1761, 0.3178, 0.8081]\n", + " PeriodicSite: S (4.135, 16.7, 6.347) [0.2036, 0.8221, 0.3125]\n", + " PeriodicSite: S (3.974, 16.48, 16.44) [0.1957, 0.8111, 0.8093]\n", + " PeriodicSite: S (14.04, 6.084, 5.959) [0.6911, 0.2995, 0.2934]\n", + " PeriodicSite: S (13.7, 6.393, 16.2) [0.6745, 0.3147, 0.7975]\n", + " PeriodicSite: S (14.01, 16.63, 6.104) [0.6896, 0.8189, 0.3005]\n", + " PeriodicSite: S (14.46, 16.81, 16.16) [0.7116, 0.8277, 0.7955]\n", + " PeriodicSite: S (6.071, 6.081, 4.14) [0.2989, 0.2993, 0.2038]\n", + " PeriodicSite: S (5.941, 6.263, 14.2) [0.2925, 0.3083, 0.699]\n", + " PeriodicSite: S (6.488, 16.7, 3.884) [0.3194, 0.822, 0.1912]\n", + " PeriodicSite: S (6.244, 16.36, 13.83) [0.3074, 0.8054, 0.6809]\n", + " PeriodicSite: S (16.59, 5.891, 3.944) [0.8166, 0.29, 0.1942]\n", + " PeriodicSite: S (16.38, 6.344, 13.99) [0.8064, 0.3123, 0.6885]\n", + " PeriodicSite: S (16.33, 16.55, 3.595) [0.804, 0.8148, 0.177]\n", + " PeriodicSite: S (16.67, 16.72, 13.48) [0.8206, 0.8231, 0.6638]\n", + " PeriodicSite: S (1.024, 8.761, 6.008) [0.05042, 0.4313, 0.2958]\n", + " PeriodicSite: S (0.9961, 9.239, 16.89) [0.04904, 0.4549, 0.8314]\n", + " PeriodicSite: S (0.8902, 18.71, 6.422) [0.04382, 0.9209, 0.3161]\n", + " PeriodicSite: S (1.042, 18.96, 16.62) [0.05128, 0.9332, 0.8182]\n", + " PeriodicSite: S (10.9, 8.896, 6.27) [0.5364, 0.4379, 0.3087]\n", + " PeriodicSite: S (11.05, 8.921, 16.59) [0.5439, 0.4392, 0.8169]\n", + " PeriodicSite: S (11.22, 19.31, 5.928) [0.5522, 0.9505, 0.2919]\n", + " PeriodicSite: S (11.09, 18.95, 16.34) [0.5458, 0.933, 0.8047]\n", + " PeriodicSite: S (2.642, 18.1, 2.625) [0.1301, 0.8912, 0.1292]\n", + " PeriodicSite: S (2.602, 17.45, 12.81) [0.1281, 0.859, 0.6308]\n", + " PeriodicSite: S (12.39, 7.637, 12.58) [0.6099, 0.376, 0.6193]\n", + " PeriodicSite: S (12.93, 17.75, 2.331) [0.6365, 0.8739, 0.1147]\n", + " PeriodicSite: S (3.477, 3.839, 3.714) [0.1712, 0.189, 0.1829]\n", + " PeriodicSite: S (3.332, 4.108, 14.1) [0.164, 0.2022, 0.6942]\n", + " PeriodicSite: S (3.837, 14.23, 3.841) [0.1889, 0.7004, 0.1891]\n", + " PeriodicSite: S (4.088, 13.76, 14.16) [0.2013, 0.6772, 0.6971]\n", + " PeriodicSite: S (14.46, 3.523, 3.688) [0.7119, 0.1734, 0.1816]\n", + " PeriodicSite: S (13.96, 4.108, 13.96) [0.687, 0.2022, 0.6871]\n", + " PeriodicSite: S (14.05, 14.21, 3.903) [0.6919, 0.6994, 0.1922]\n", + " PeriodicSite: S (14.3, 14.4, 13.95) [0.704, 0.709, 0.6867]\n", + " PeriodicSite: S (8.658, 1.434, 6.127) [0.4263, 0.07061, 0.3016]\n", + " PeriodicSite: S (8.944, 1.313, 16.68) [0.4403, 0.06463, 0.8211]\n", + " PeriodicSite: S (8.49, 11.4, 6.141) [0.418, 0.5612, 0.3023]\n", + " PeriodicSite: S (8.917, 11.43, 16.63) [0.439, 0.5626, 0.8188]\n", + " PeriodicSite: S (19.01, 0.9518, 6.505) [0.9358, 0.04685, 0.3202]\n", + " PeriodicSite: S (18.99, 1.103, 16.42) [0.9347, 0.05429, 0.8084]\n", + " PeriodicSite: S (19.17, 11.14, 6.22) [0.9437, 0.5486, 0.3062]\n", + " PeriodicSite: S (18.99, 11.73, 16.26) [0.9348, 0.5775, 0.8007]\n", + " PeriodicSite: S (1.243, 0.9986, 4.242) [0.06118, 0.04916, 0.2088]\n", + " PeriodicSite: S (1.151, 0.9677, 14.3) [0.05665, 0.04764, 0.704]\n", + " PeriodicSite: S (1.231, 11.27, 3.827) [0.0606, 0.5547, 0.1884]\n", + " PeriodicSite: S (1.27, 10.97, 14.08) [0.06255, 0.54, 0.6931]\n", + " PeriodicSite: S (11.23, 1.842, 4.096) [0.5529, 0.09069, 0.2017]\n", + " PeriodicSite: S (11.02, 1.044, 14.1) [0.5428, 0.05138, 0.6939]\n", + " PeriodicSite: S (11.15, 11.55, 4.207) [0.5491, 0.5687, 0.2071]\n", + " PeriodicSite: S (11.18, 11.18, 14.15) [0.5503, 0.5502, 0.6969]\n", + " PeriodicSite: S (5.641, 3.593, 6.327) [0.2777, 0.1769, 0.3115]\n", + " PeriodicSite: S (5.75, 3.779, 16.62) [0.2831, 0.1861, 0.8183]\n", + " PeriodicSite: S (6.362, 13.99, 5.863) [0.3132, 0.6886, 0.2886]\n", + " PeriodicSite: S (6.554, 14.18, 16.41) [0.3227, 0.6983, 0.8078]\n", + " PeriodicSite: S (16.35, 3.491, 6.273) [0.8049, 0.1719, 0.3088]\n", + " PeriodicSite: S (16.18, 4.219, 16.59) [0.7965, 0.2077, 0.8165]\n", + " PeriodicSite: S (16.58, 14.51, 6.104) [0.8165, 0.7142, 0.3005]\n", + " PeriodicSite: S (16.91, 14.57, 16.06) [0.8324, 0.7174, 0.7907]\n", + " PeriodicSite: S (7.634, 2.459, 12.84) [0.3758, 0.1211, 0.632]\n", + " PeriodicSite: S (7.5, 12.82, 2.04) [0.3693, 0.6311, 0.1004]\n", + " PeriodicSite: S (17.87, 2.473, 2.242) [0.8797, 0.1217, 0.1104]\n", + " PeriodicSite: S (17.53, 12.93, 2.584) [0.8629, 0.6367, 0.1272]\n", + " PeriodicSite: S (17.38, 12.8, 12.32) [0.8555, 0.6301, 0.6068]\n", + " PeriodicSite: S (4.37, 8.484, 9.153) [0.2151, 0.4177, 0.4506]\n", + " PeriodicSite: S (3.615, 9.034, 19.49) [0.178, 0.4447, 0.9596]\n", + " PeriodicSite: S (4.221, 18.82, 9.259) [0.2078, 0.9267, 0.4558]\n", + " PeriodicSite: S (4.009, 19.17, 19.22) [0.1974, 0.9436, 0.9461]\n", + " PeriodicSite: S (13.72, 9.019, 9.106) [0.6755, 0.444, 0.4483]\n", + " PeriodicSite: S (13.59, 9.26, 19.27) [0.669, 0.4559, 0.9486]\n", + " PeriodicSite: S (14.12, 19.34, 9.279) [0.6953, 0.952, 0.4568]\n", + " PeriodicSite: S (14.16, 18.9, 19.29) [0.6969, 0.9306, 0.9498]\n", + " PeriodicSite: S (9.302, 6.784, 0.7661) [0.458, 0.334, 0.03772]\n", + " PeriodicSite: S (8.993, 6.153, 11.16) [0.4427, 0.3029, 0.5495]\n", + " PeriodicSite: S (9.254, 16.9, 0.8216) [0.4556, 0.832, 0.04045]\n", + " PeriodicSite: S (9.257, 16.11, 11.86) [0.4557, 0.7932, 0.5838]\n", + " PeriodicSite: S (18.57, 6.466, 0.9371) [0.914, 0.3183, 0.04614]\n", + " PeriodicSite: S (18.98, 5.874, 11.63) [0.9346, 0.2892, 0.5726]\n", + " PeriodicSite: S (19.29, 16.6, 1.294) [0.9496, 0.8172, 0.0637]\n", + " PeriodicSite: S (19.28, 16.56, 10.79) [0.9492, 0.8153, 0.531]\n", + " PeriodicSite: S (1.146, 6.334, 9.48) [0.05644, 0.3118, 0.4667]\n", + " PeriodicSite: S (1.065, 6.222, 19.5) [0.05245, 0.3063, 0.9598]\n", + " PeriodicSite: S (1.41, 16.28, 8.34) [0.06939, 0.8017, 0.4106]\n", + " PeriodicSite: S (1.605, 16.52, 19.28) [0.07899, 0.8134, 0.9493]\n", + " PeriodicSite: S (11.09, 6.09, 8.528) [0.546, 0.2998, 0.4198]\n", + " PeriodicSite: S (11.57, 6.302, 19.05) [0.5696, 0.3102, 0.938]\n", + " PeriodicSite: S (11.2, 16.21, 9.15) [0.5514, 0.7981, 0.4505]\n", + " PeriodicSite: S (11.56, 16.47, 18.65) [0.5691, 0.8111, 0.918]\n", + " PeriodicSite: S (6.02, 9.253, 1.459) [0.2964, 0.4555, 0.07182]\n", + " PeriodicSite: S (6.056, 9.425, 11.77) [0.2981, 0.464, 0.5795]\n", + " PeriodicSite: S (6.604, 18.92, 1.071) [0.3251, 0.9314, 0.05275]\n", + " PeriodicSite: S (6.967, 19.16, 11.36) [0.343, 0.9432, 0.5591]\n", + " PeriodicSite: S (15.98, 8.902, 1.314) [0.7868, 0.4382, 0.06468]\n", + " PeriodicSite: S (16.27, 8.839, 11.41) [0.8012, 0.4351, 0.5618]\n", + " PeriodicSite: S (16.93, 19.18, 1.012) [0.8335, 0.9442, 0.04983]\n", + " PeriodicSite: S (16.81, 19.41, 11.17) [0.8274, 0.9557, 0.55]\n", + " PeriodicSite: S (7.165, 7.702, 17.84) [0.3527, 0.3792, 0.8781]\n", + " PeriodicSite: S (7.765, 18.06, 7.399) [0.3823, 0.8891, 0.3643]\n", + " PeriodicSite: S (17.74, 7.741, 7.666) [0.8735, 0.3811, 0.3774]\n", + " PeriodicSite: S (17.65, 18.03, 7.729) [0.869, 0.8879, 0.3805]\n", + " PeriodicSite: P (5.455, 20.28, 20.29) [0.2686, 0.9984, 0.9991]\n", + " PeriodicSite: P (5.498, 20.12, 10.31) [0.2707, 0.9907, 0.5078]\n", + " PeriodicSite: P (4.78, 10.31, 0.1284) [0.2353, 0.5076, 0.006323]\n", + " PeriodicSite: P (4.895, 10.12, 10.26) [0.241, 0.4983, 0.505]\n", + " PeriodicSite: P (15.55, 20.23, 0.02304) [0.7655, 0.9961, 0.00114]\n", + " PeriodicSite: P (15.44, 0.314, 10.34) [0.7599, 0.01545, 0.5088]\n", + " PeriodicSite: P (14.93, 10.32, 0.1315) [0.735, 0.5078, 0.006481]\n", + " PeriodicSite: P (15.2, 10.06, 10.23) [0.7483, 0.4953, 0.5039]\n", + " PeriodicSite: P (4.691, 4.94, 5.013) [0.2309, 0.2432, 0.2468]\n", + " PeriodicSite: P (4.685, 5.026, 15.31) [0.2307, 0.2475, 0.7537]\n", + " PeriodicSite: P (5.124, 15.5, 4.95) [0.2523, 0.7632, 0.2437]\n", + " PeriodicSite: P (5.139, 15.26, 15.32) [0.253, 0.7513, 0.7542]\n", + " PeriodicSite: P (15.32, 4.729, 4.98) [0.754, 0.2328, 0.2452]\n", + " PeriodicSite: P (15.08, 5.301, 15.21) [0.7422, 0.261, 0.7489]\n", + " PeriodicSite: P (15.28, 15.57, 4.98) [0.7521, 0.7667, 0.2452]\n", + " PeriodicSite: P (15.66, 15.63, 14.92) [0.771, 0.7696, 0.7344]\n", + " PeriodicSite: P (0.05903, 20.04, 5.287) [0.002898, 0.9866, 0.2603]\n", + " PeriodicSite: P (20.18, 20.22, 15.44) [0.9936, 0.9953, 0.7599]\n", + " PeriodicSite: P (20.13, 10.01, 4.802) [0.9912, 0.4926, 0.2364]\n", + " PeriodicSite: P (20.27, 10.22, 15.5) [0.9977, 0.5032, 0.7633]\n", + " PeriodicSite: P (10.15, 0.3379, 4.92) [0.4995, 0.01663, 0.2422]\n", + " PeriodicSite: P (9.821, 20.22, 15.41) [0.4835, 0.9955, 0.7588]\n", + " PeriodicSite: P (9.85, 10.25, 5.218) [0.4849, 0.5046, 0.2569]\n", + " PeriodicSite: P (9.965, 10.17, 15.42) [0.4906, 0.5009, 0.7591]\n", + " PeriodicSite: P (19.93, 5.052, 0.211) [0.9813, 0.2487, 0.01039]\n", + " PeriodicSite: P (20.17, 4.851, 10.45) [0.9932, 0.2388, 0.5143]\n", + " PeriodicSite: P (0.2202, 15.45, 0.05605) [0.01083, 0.7605, 0.002761]\n", + " PeriodicSite: P (0.07892, 15.3, 9.606) [0.003881, 0.753, 0.4729]\n", + " PeriodicSite: P (10.43, 5.16, 20.16) [0.5133, 0.254, 0.9925]\n", + " PeriodicSite: P (10.05, 4.852, 9.966) [0.4945, 0.2389, 0.4906]\n", + " PeriodicSite: P (10.27, 15.56, 19.97) [0.5055, 0.7661, 0.9833]\n", + " PeriodicSite: P (10.34, 14.9, 10.49) [0.5092, 0.7336, 0.5165],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.942, 5.19, 4.421) [0.09561, 0.2555, 0.2176]\n", + " PeriodicSite: Li (20.31, 3.347, 13.5) [0.9999, 0.1648, 0.6648]\n", + " PeriodicSite: Li (0.1887, 12.9, 6.833) [0.009287, 0.6352, 0.3364]\n", + " PeriodicSite: Li (0.3064, 13.43, 16.64) [0.01508, 0.6614, 0.819]\n", + " PeriodicSite: Li (15.09, 1.518, 7.03) [0.7431, 0.07472, 0.3461]\n", + " PeriodicSite: Li (12.58, 3.217, 15.49) [0.6193, 0.1584, 0.7624]\n", + " PeriodicSite: Li (13.37, 10.12, 3.374) [0.6581, 0.4983, 0.1661]\n", + " PeriodicSite: Li (16.8, 8.781, 15.71) [0.8269, 0.4323, 0.7736]\n", + " PeriodicSite: Li (4.174, 4.65, 8.595) [0.2055, 0.2289, 0.4231]\n", + " PeriodicSite: Li (1.329, 2.123, 19.72) [0.06542, 0.1045, 0.9708]\n", + " PeriodicSite: Li (2.993, 8.186, 4.763) [0.1473, 0.403, 0.2345]\n", + " PeriodicSite: Li (6.956, 9.759, 17.03) [0.3425, 0.4804, 0.8385]\n", + " PeriodicSite: Li (11.81, 4.458, 6.998) [0.5812, 0.2195, 0.3445]\n", + " PeriodicSite: Li (12.99, 20.15, 17.74) [0.6398, 0.992, 0.8735]\n", + " PeriodicSite: Li (10.21, 8.34, 12.0) [0.5025, 0.4106, 0.5907]\n", + " PeriodicSite: Li (9.796, 18.18, 18.76) [0.4822, 0.895, 0.9236]\n", + " PeriodicSite: Li (6.438, 1.647, 5.555) [0.3169, 0.08109, 0.2735]\n", + " PeriodicSite: Li (4.642, 18.22, 13.0) [0.2285, 0.8968, 0.64]\n", + " PeriodicSite: Li (2.673, 10.55, 6.432) [0.1316, 0.5192, 0.3166]\n", + " PeriodicSite: Li (6.691, 10.13, 13.83) [0.3294, 0.4989, 0.6807]\n", + " PeriodicSite: Li (12.09, 0.4312, 8.115) [0.5951, 0.02123, 0.3995]\n", + " PeriodicSite: Li (10.51, 2.089, 18.32) [0.5175, 0.1028, 0.9019]\n", + " PeriodicSite: Li (13.64, 15.34, 8.134) [0.6715, 0.7553, 0.4005]\n", + " PeriodicSite: Li (11.57, 10.27, 18.41) [0.5698, 0.5057, 0.9062]\n", + " PeriodicSite: Li (0.4691, 3.286, 6.83) [0.02309, 0.1618, 0.3363]\n", + " PeriodicSite: Li (0.768, 2.801, 16.18) [0.03781, 0.1379, 0.7967]\n", + " PeriodicSite: Li (2.542, 14.55, 6.062) [0.1251, 0.7163, 0.2984]\n", + " PeriodicSite: Li (4.055, 14.46, 18.06) [0.1996, 0.7118, 0.8892]\n", + " PeriodicSite: Li (13.14, 1.911, 5.52) [0.647, 0.09407, 0.2718]\n", + " PeriodicSite: Li (15.26, 1.875, 16.99) [0.7511, 0.09231, 0.8364]\n", + " PeriodicSite: Li (11.34, 11.94, 9.828) [0.5582, 0.588, 0.4839]\n", + " PeriodicSite: Li (17.07, 17.19, 0.2735) [0.8403, 0.8461, 0.01347]\n", + " PeriodicSite: Li (6.641, 0.5, 2.907) [0.3269, 0.02461, 0.1431]\n", + " PeriodicSite: Li (0.2399, 18.47, 2.037) [0.0118, 0.9095, 0.1003]\n", + " PeriodicSite: Li (2.764, 13.78, 9.8) [0.1361, 0.6783, 0.4824]\n", + " PeriodicSite: Li (2.348, 16.42, 15.09) [0.1156, 0.8084, 0.7429]\n", + " PeriodicSite: Li (14.72, 4.471, 7.93) [0.7247, 0.2201, 0.3904]\n", + " PeriodicSite: Li (13.85, 5.342, 18.44) [0.6818, 0.263, 0.9076]\n", + " PeriodicSite: Li (16.58, 15.69, 8.047) [0.8164, 0.7726, 0.3962]\n", + " PeriodicSite: Li (10.2, 13.09, 17.33) [0.5021, 0.6446, 0.8533]\n", + " PeriodicSite: Li (3.425, 2.525, 5.312) [0.1686, 0.1243, 0.2615]\n", + " PeriodicSite: Li (2.809, 0.1701, 17.7) [0.1383, 0.008374, 0.8712]\n", + " PeriodicSite: Li (4.507, 12.58, 5.669) [0.2219, 0.6194, 0.2791]\n", + " PeriodicSite: Li (18.04, 14.73, 3.979) [0.8882, 0.7252, 0.1959]\n", + " PeriodicSite: Li (11.13, 2.671, 9.155) [0.5482, 0.1315, 0.4507]\n", + " PeriodicSite: Li (17.37, 0.5373, 14.81) [0.8549, 0.02644, 0.729]\n", + " PeriodicSite: Li (13.47, 10.44, 6.476) [0.6632, 0.5139, 0.3188]\n", + " PeriodicSite: Li (14.35, 9.175, 16.99) [0.7067, 0.4517, 0.8366]\n", + " PeriodicSite: Li (2.91, 12.14, 15.07) [0.1433, 0.5976, 0.742]\n", + " PeriodicSite: Li (1.682, 11.29, 9.353) [0.08279, 0.5559, 0.4605]\n", + " PeriodicSite: Li (1.674, 15.71, 3.339) [0.08239, 0.7735, 0.1644]\n", + " PeriodicSite: Li (2.113, 1.698, 10.05) [0.104, 0.08358, 0.4948]\n", + " PeriodicSite: Li (12.25, 5.324, 3.277) [0.6029, 0.2621, 0.1614]\n", + " PeriodicSite: Li (11.75, 7.318, 14.84) [0.5782, 0.3603, 0.7304]\n", + " PeriodicSite: Li (10.81, 12.48, 6.352) [0.5322, 0.6145, 0.3127]\n", + " PeriodicSite: Li (13.14, 19.39, 14.89) [0.6469, 0.9544, 0.7331]\n", + " PeriodicSite: Li (2.889, 5.835, 1.087) [0.1422, 0.2873, 0.05352]\n", + " PeriodicSite: Li (2.726, 5.323, 11.42) [0.1342, 0.2621, 0.5623]\n", + " PeriodicSite: Li (5.746, 16.85, 18.91) [0.2829, 0.8296, 0.931]\n", + " PeriodicSite: Li (2.862, 19.92, 14.32) [0.1409, 0.9808, 0.705]\n", + " PeriodicSite: Li (13.44, 3.09, 0.1478) [0.6615, 0.1521, 0.007281]\n", + " PeriodicSite: Li (12.0, 5.243, 12.98) [0.591, 0.2581, 0.6393]\n", + " PeriodicSite: Li (11.98, 16.01, 3.811) [0.5899, 0.7884, 0.1876]\n", + " PeriodicSite: Li (10.55, 17.18, 13.46) [0.5191, 0.8455, 0.6629]\n", + " PeriodicSite: Li (2.871, 10.0, 17.29) [0.1414, 0.4923, 0.851]\n", + " PeriodicSite: Li (5.391, 6.994, 11.55) [0.2654, 0.3443, 0.5688]\n", + " PeriodicSite: Li (5.133, 18.29, 2.567) [0.2527, 0.9003, 0.1264]\n", + " PeriodicSite: Li (2.544, 17.95, 10.36) [0.1253, 0.8837, 0.5101]\n", + " PeriodicSite: Li (10.87, 8.413, 1.565) [0.535, 0.4142, 0.07703]\n", + " PeriodicSite: Li (14.72, 6.966, 12.25) [0.7248, 0.3429, 0.6029]\n", + " PeriodicSite: Li (10.79, 18.55, 2.051) [0.5314, 0.9131, 0.101]\n", + " PeriodicSite: Li (13.49, 15.32, 11.55) [0.6642, 0.7542, 0.5684]\n", + " PeriodicSite: Li (20.25, 7.91, 1.552) [0.9967, 0.3894, 0.07642]\n", + " PeriodicSite: Li (17.47, 5.257, 8.963) [0.8603, 0.2588, 0.4413]\n", + " PeriodicSite: Li (3.129, 18.16, 5.245) [0.154, 0.8938, 0.2582]\n", + " PeriodicSite: Li (0.4897, 18.58, 11.89) [0.0241, 0.9147, 0.5856]\n", + " PeriodicSite: Li (10.07, 7.424, 5.46) [0.4958, 0.3655, 0.2688]\n", + " PeriodicSite: Li (13.12, 12.06, 15.69) [0.646, 0.5939, 0.7722]\n", + " PeriodicSite: Li (14.82, 16.29, 2.179) [0.7298, 0.8019, 0.1073]\n", + " PeriodicSite: Li (12.36, 15.42, 16.47) [0.6085, 0.7593, 0.8109]\n", + " PeriodicSite: Li (6.032, 8.021, 5.409) [0.297, 0.3949, 0.2663]\n", + " PeriodicSite: Li (20.2, 11.67, 12.19) [0.9945, 0.5743, 0.6]\n", + " PeriodicSite: Li (19.56, 17.19, 5.639) [0.9631, 0.8464, 0.2776]\n", + " PeriodicSite: Li (6.656, 18.58, 15.38) [0.3277, 0.9147, 0.7572]\n", + " PeriodicSite: Li (16.74, 9.472, 2.943) [0.8241, 0.4663, 0.1449]\n", + " PeriodicSite: Li (12.47, 7.866, 9.868) [0.614, 0.3872, 0.4858]\n", + " PeriodicSite: Li (13.29, 17.01, 0.1855) [0.6542, 0.8375, 0.009138]\n", + " PeriodicSite: Li (12.68, 19.54, 11.03) [0.624, 0.9621, 0.5431]\n", + " PeriodicSite: Li (4.596, 3.098, 18.63) [0.2263, 0.1525, 0.9172]\n", + " PeriodicSite: Li (2.996, 9.605, 13.51) [0.1475, 0.4729, 0.6651]\n", + " PeriodicSite: Li (3.073, 20.2, 3.317) [0.1513, 0.9946, 0.1633]\n", + " PeriodicSite: Li (0.2905, 16.19, 12.67) [0.0143, 0.7972, 0.6238]\n", + " PeriodicSite: Li (14.69, 7.772, 4.796) [0.7233, 0.3826, 0.2361]\n", + " PeriodicSite: Li (13.45, 9.57, 13.62) [0.662, 0.4712, 0.6706]\n", + " PeriodicSite: Li (13.01, 19.04, 4.743) [0.6405, 0.9371, 0.2335]\n", + " PeriodicSite: Li (17.92, 4.793, 14.62) [0.8825, 0.236, 0.7199]\n", + " PeriodicSite: Li (9.855, 3.123, 3.216) [0.4852, 0.1538, 0.1583]\n", + " PeriodicSite: Li (9.615, 1.576, 11.94) [0.4734, 0.0776, 0.5879]\n", + " PeriodicSite: Li (7.096, 10.83, 3.768) [0.3493, 0.533, 0.1855]\n", + " PeriodicSite: Li (6.11, 12.2, 15.07) [0.3008, 0.6006, 0.7421]\n", + " PeriodicSite: Li (18.32, 3.212, 4.897) [0.902, 0.1581, 0.2411]\n", + " PeriodicSite: Li (13.81, 3.32, 10.16) [0.6798, 0.1634, 0.5]\n", + " PeriodicSite: Li (20.0, 12.33, 2.739) [0.9844, 0.6071, 0.1349]\n", + " PeriodicSite: Li (16.85, 10.19, 12.74) [0.8296, 0.5015, 0.627]\n", + " PeriodicSite: Li (5.732, 18.07, 6.048) [0.2822, 0.8896, 0.2977]\n", + " PeriodicSite: Li (9.327, 3.036, 14.52) [0.4592, 0.1494, 0.7151]\n", + " PeriodicSite: Li (6.968, 13.5, 19.65) [0.343, 0.6648, 0.9676]\n", + " PeriodicSite: Li (10.09, 13.09, 13.54) [0.4969, 0.6445, 0.6667]\n", + " PeriodicSite: Li (14.91, 18.93, 3.213) [0.7341, 0.9318, 0.1582]\n", + " PeriodicSite: Li (18.34, 0.6118, 12.25) [0.9031, 0.03011, 0.6031]\n", + " PeriodicSite: Li (17.74, 14.58, 0.8013) [0.8732, 0.718, 0.03945]\n", + " PeriodicSite: Li (17.47, 15.36, 11.52) [0.8601, 0.7561, 0.5673]\n", + " PeriodicSite: Li (8.072, 4.227, 5.76) [0.3974, 0.2081, 0.2836]\n", + " PeriodicSite: Li (6.713, 0.176, 13.09) [0.3305, 0.00866, 0.6446]\n", + " PeriodicSite: Li (10.13, 12.28, 1.59) [0.4986, 0.6046, 0.07831]\n", + " PeriodicSite: Li (5.555, 12.92, 11.36) [0.2735, 0.636, 0.5591]\n", + " PeriodicSite: Li (20.11, 2.297, 2.589) [0.99, 0.1131, 0.1275]\n", + " PeriodicSite: Li (0.1648, 7.792, 12.46) [0.008115, 0.3836, 0.6132]\n", + " PeriodicSite: Li (15.3, 13.52, 1.975) [0.7533, 0.6655, 0.09726]\n", + " PeriodicSite: Li (15.5, 12.34, 13.53) [0.7632, 0.6075, 0.666]\n", + " PeriodicSite: Li (3.707, 0.5173, 7.352) [0.1825, 0.02546, 0.3619]\n", + " PeriodicSite: Li (6.538, 1.692, 15.35) [0.3219, 0.08331, 0.7555]\n", + " PeriodicSite: Li (5.084, 13.52, 1.644) [0.2503, 0.6658, 0.08093]\n", + " PeriodicSite: Li (8.316, 6.695, 15.6) [0.4094, 0.3296, 0.7679]\n", + " PeriodicSite: Li (16.79, 4.744, 1.89) [0.8268, 0.2335, 0.09307]\n", + " PeriodicSite: Li (15.3, 18.7, 13.72) [0.7531, 0.9204, 0.6752]\n", + " PeriodicSite: Li (13.47, 14.13, 19.43) [0.663, 0.6958, 0.9564]\n", + " PeriodicSite: Li (18.23, 12.06, 10.1) [0.8976, 0.5938, 0.497]\n", + " PeriodicSite: Li (6.681, 7.43, 20.3) [0.3289, 0.3658, 0.9991]\n", + " PeriodicSite: Li (4.884, 3.033, 12.19) [0.2404, 0.1493, 0.5999]\n", + " PeriodicSite: Li (7.257, 10.91, 0.4293) [0.3573, 0.537, 0.02114]\n", + " PeriodicSite: Li (8.365, 11.59, 10.94) [0.4118, 0.5707, 0.5385]\n", + " PeriodicSite: Li (15.74, 1.923, 3.351) [0.7747, 0.09467, 0.165]\n", + " PeriodicSite: Li (16.71, 3.616, 11.24) [0.8226, 0.178, 0.5532]\n", + " PeriodicSite: Li (1.532, 11.33, 20.05) [0.07541, 0.5579, 0.9871]\n", + " PeriodicSite: Li (18.8, 13.32, 14.42) [0.9256, 0.6558, 0.7101]\n", + " PeriodicSite: Li (8.167, 2.376, 0.3541) [0.4021, 0.117, 0.01744]\n", + " PeriodicSite: Li (6.997, 2.979, 10.75) [0.3445, 0.1467, 0.5293]\n", + " PeriodicSite: Li (8.112, 13.71, 4.461) [0.3994, 0.6749, 0.2196]\n", + " PeriodicSite: Li (3.643, 15.33, 12.27) [0.1793, 0.7546, 0.6038]\n", + " PeriodicSite: Li (16.58, 2.869, 0.3576) [0.8164, 0.1412, 0.01761]\n", + " PeriodicSite: Li (1.601, 6.827, 15.62) [0.07884, 0.3361, 0.7689]\n", + " PeriodicSite: Li (5.041, 13.65, 8.356) [0.2482, 0.6721, 0.4114]\n", + " PeriodicSite: Li (15.19, 13.22, 10.14) [0.7477, 0.6508, 0.4991]\n", + " PeriodicSite: Li (16.47, 12.13, 4.254) [0.811, 0.5971, 0.2094]\n", + " PeriodicSite: Li (5.29, 7.913, 16.07) [0.2604, 0.3896, 0.7911]\n", + " PeriodicSite: Li (6.813, 15.45, 11.72) [0.3354, 0.7605, 0.5769]\n", + " PeriodicSite: Li (2.228, 18.65, 0.4339) [0.1097, 0.9184, 0.02136]\n", + " PeriodicSite: Li (16.99, 9.116, 6.189) [0.8366, 0.4488, 0.3047]\n", + " PeriodicSite: Li (2.833, 4.866, 18.54) [0.1395, 0.2396, 0.9128]\n", + " PeriodicSite: Li (17.12, 18.81, 5.311) [0.843, 0.9261, 0.2615]\n", + " PeriodicSite: Li (19.75, 19.44, 18.33) [0.9722, 0.9568, 0.9022]\n", + " PeriodicSite: Li (5.533, 10.27, 7.474) [0.2724, 0.5058, 0.3679]\n", + " PeriodicSite: Li (6.853, 5.218, 18.55) [0.3374, 0.2569, 0.9132]\n", + " PeriodicSite: Li (8.064, 19.6, 8.338) [0.397, 0.9647, 0.4105]\n", + " PeriodicSite: Li (8.162, 15.77, 15.72) [0.4018, 0.7762, 0.7737]\n", + " PeriodicSite: Li (17.54, 8.723, 9.663) [0.8636, 0.4294, 0.4757]\n", + " PeriodicSite: Li (17.53, 9.664, 19.5) [0.8631, 0.4757, 0.96]\n", + " PeriodicSite: Li (17.95, 20.09, 8.695) [0.8835, 0.9889, 0.4281]\n", + " PeriodicSite: Li (18.4, 16.09, 16.12) [0.9058, 0.7919, 0.7935]\n", + " PeriodicSite: Li (7.335, 5.964, 9.124) [0.3611, 0.2936, 0.4492]\n", + " PeriodicSite: Li (4.071, 2.093, 16.15) [0.2004, 0.103, 0.7948]\n", + " PeriodicSite: Li (9.122, 17.16, 9.413) [0.4491, 0.8449, 0.4634]\n", + " PeriodicSite: Li (16.47, 11.56, 16.75) [0.8106, 0.569, 0.8247]\n", + " PeriodicSite: Li (19.64, 9.343, 8.056) [0.9667, 0.4599, 0.3966]\n", + " PeriodicSite: Li (17.05, 5.487, 18.93) [0.8396, 0.2701, 0.9321]\n", + " PeriodicSite: Li (16.18, 17.67, 9.564) [0.7968, 0.8699, 0.4708]\n", + " PeriodicSite: Li (16.23, 16.24, 18.18) [0.799, 0.7995, 0.895]\n", + " PeriodicSite: Li (9.429, 8.878, 8.054) [0.4642, 0.437, 0.3965]\n", + " PeriodicSite: Li (5.562, 4.382, 1.901) [0.2738, 0.2158, 0.09357]\n", + " PeriodicSite: Li (5.55, 16.66, 8.872) [0.2732, 0.82, 0.4368]\n", + " PeriodicSite: Li (7.618, 15.0, 1.274) [0.375, 0.7383, 0.06272]\n", + " PeriodicSite: Li (15.23, 7.084, 8.666) [0.7496, 0.3488, 0.4266]\n", + " PeriodicSite: Li (19.64, 7.68, 18.45) [0.9667, 0.3781, 0.9081]\n", + " PeriodicSite: Li (15.16, 18.63, 6.78) [0.7463, 0.9172, 0.3338]\n", + " PeriodicSite: Li (15.91, 18.9, 16.89) [0.7831, 0.9303, 0.8313]\n", + " PeriodicSite: Li (7.655, 5.098, 12.91) [0.3769, 0.251, 0.6357]\n", + " PeriodicSite: Li (4.2, 7.135, 18.84) [0.2068, 0.3513, 0.9275]\n", + " PeriodicSite: Li (8.946, 18.02, 5.533) [0.4404, 0.887, 0.2724]\n", + " PeriodicSite: Li (12.65, 19.83, 0.6842) [0.6229, 0.976, 0.03369]\n", + " PeriodicSite: Li (18.18, 6.656, 5.501) [0.8949, 0.3277, 0.2708]\n", + " PeriodicSite: Li (14.23, 7.28, 0.6245) [0.7005, 0.3584, 0.03075]\n", + " PeriodicSite: Li (19.78, 17.77, 8.427) [0.9737, 0.8747, 0.4149]\n", + " PeriodicSite: Li (18.08, 0.6905, 1.145) [0.8903, 0.03398, 0.05639]\n", + " PeriodicSite: Li (3.573, 10.29, 3.169) [0.1759, 0.5067, 0.156]\n", + " PeriodicSite: Li (9.161, 7.504, 18.19) [0.451, 0.3694, 0.8957]\n", + " PeriodicSite: Li (8.81, 15.14, 7.079) [0.4337, 0.7453, 0.3485]\n", + " PeriodicSite: Li (5.925, 19.97, 17.52) [0.2917, 0.9833, 0.8626]\n", + " PeriodicSite: Li (19.9, 6.167, 7.766) [0.9795, 0.3036, 0.3823]\n", + " PeriodicSite: Li (18.35, 12.36, 20.22) [0.9034, 0.6084, 0.9957]\n", + " PeriodicSite: Li (3.018, 16.06, 0.7449) [0.1486, 0.7907, 0.03667]\n", + " PeriodicSite: Li (15.25, 2.077, 13.91) [0.7506, 0.1022, 0.6846]\n", + " PeriodicSite: Cl (7.615, 12.45, 13.01) [0.3749, 0.6128, 0.6407]\n", + " PeriodicSite: Cl (2.488, 12.5, 17.48) [0.1225, 0.6154, 0.8604]\n", + " PeriodicSite: Cl (12.98, 17.93, 13.13) [0.6391, 0.8826, 0.6462]\n", + " PeriodicSite: Cl (17.42, 7.907, 17.88) [0.8576, 0.3892, 0.8805]\n", + " PeriodicSite: Cl (7.606, 2.652, 2.549) [0.3745, 0.1306, 0.1255]\n", + " PeriodicSite: Cl (7.641, 7.422, 7.364) [0.3762, 0.3654, 0.3625]\n", + " PeriodicSite: Cl (12.23, 12.28, 7.961) [0.6019, 0.6046, 0.3919]\n", + " PeriodicSite: Cl (1.886, 7.303, 2.823) [0.09286, 0.3595, 0.139]\n", + " PeriodicSite: Cl (2.444, 7.464, 13.17) [0.1203, 0.3675, 0.6485]\n", + " PeriodicSite: Cl (12.54, 12.56, 18.05) [0.6175, 0.6183, 0.8887]\n", + " PeriodicSite: Cl (17.71, 17.92, 17.73) [0.872, 0.882, 0.8727]\n", + " PeriodicSite: Cl (2.596, 2.575, 7.505) [0.1278, 0.1268, 0.3695]\n", + " PeriodicSite: Cl (12.89, 2.275, 17.69) [0.6348, 0.112, 0.8708]\n", + " PeriodicSite: Cl (12.94, 7.594, 2.862) [0.6369, 0.3738, 0.1409]\n", + " PeriodicSite: Cl (17.53, 2.482, 13.2) [0.863, 0.1222, 0.6501]\n", + " PeriodicSite: Cl (7.638, 17.76, 17.44) [0.376, 0.8744, 0.8588]\n", + " PeriodicSite: Cl (0.2893, 20.18, 0.1585) [0.01423, 0.9936, 0.007807]\n", + " PeriodicSite: Cl (0.647, 19.95, 10.27) [0.03185, 0.9821, 0.5058]\n", + " PeriodicSite: Cl (19.89, 9.908, 20.2) [0.9792, 0.4878, 0.9943]\n", + " PeriodicSite: Cl (19.69, 10.31, 10.0) [0.9693, 0.5076, 0.4925]\n", + " PeriodicSite: Cl (10.55, 20.14, 20.15) [0.5195, 0.9914, 0.9919]\n", + " PeriodicSite: Cl (10.6, 0.2542, 9.899) [0.5219, 0.01251, 0.4873]\n", + " PeriodicSite: Cl (9.987, 10.56, 0.1572) [0.4917, 0.5197, 0.007745]\n", + " PeriodicSite: Cl (10.01, 10.07, 10.2) [0.4929, 0.4958, 0.5024]\n", + " PeriodicSite: Cl (20.22, 4.944, 5.415) [0.9956, 0.2434, 0.2666]\n", + " PeriodicSite: Cl (0.2264, 4.784, 15.04) [0.01115, 0.2355, 0.7406]\n", + " PeriodicSite: Cl (0.1007, 14.99, 5.077) [0.004954, 0.738, 0.2499]\n", + " PeriodicSite: Cl (20.18, 15.33, 14.91) [0.9933, 0.7546, 0.7338]\n", + " PeriodicSite: Cl (10.59, 4.966, 4.839) [0.5215, 0.2445, 0.2382]\n", + " PeriodicSite: Cl (10.26, 5.402, 14.82) [0.505, 0.2659, 0.7295]\n", + " PeriodicSite: Cl (9.979, 15.5, 5.001) [0.4913, 0.7632, 0.2462]\n", + " PeriodicSite: Cl (10.18, 15.02, 15.27) [0.5011, 0.7397, 0.7518]\n", + " PeriodicSite: S (4.688, 0.09938, 5.011) [0.2308, 0.004891, 0.2467]\n", + " PeriodicSite: S (5.041, 20.24, 15.15) [0.2482, 0.9962, 0.746]\n", + " PeriodicSite: S (5.067, 10.11, 5.11) [0.2494, 0.4978, 0.2516]\n", + " PeriodicSite: S (4.747, 10.22, 15.42) [0.2337, 0.5031, 0.7592]\n", + " PeriodicSite: S (15.09, 0.2253, 5.198) [0.7428, 0.01109, 0.2559]\n", + " PeriodicSite: S (15.2, 0.1907, 15.31) [0.7482, 0.009383, 0.7536]\n", + " PeriodicSite: S (15.44, 10.03, 4.775) [0.7599, 0.494, 0.2351]\n", + " PeriodicSite: S (15.12, 10.47, 15.13) [0.7444, 0.5155, 0.7448]\n", + " PeriodicSite: S (4.733, 5.446, 20.16) [0.233, 0.2681, 0.9923]\n", + " PeriodicSite: S (5.233, 4.935, 10.66) [0.2576, 0.243, 0.5248]\n", + " PeriodicSite: S (5.207, 15.2, 20.28) [0.2563, 0.7482, 0.9985]\n", + " PeriodicSite: S (5.057, 14.86, 10.38) [0.249, 0.7316, 0.5112]\n", + " PeriodicSite: S (15.26, 4.629, 20.25) [0.7513, 0.2279, 0.9972]\n", + " PeriodicSite: S (15.35, 5.16, 10.13) [0.7555, 0.254, 0.4989]\n", + " PeriodicSite: S (15.39, 15.26, 0.03578) [0.7579, 0.7513, 0.001767]\n", + " PeriodicSite: S (15.26, 15.41, 10.07) [0.7512, 0.7586, 0.496]\n", + " PeriodicSite: S (8.77, 3.743, 8.96) [0.4318, 0.1843, 0.4411]\n", + " PeriodicSite: S (8.942, 4.066, 18.96) [0.4402, 0.2002, 0.9337]\n", + " PeriodicSite: S (9.18, 13.72, 9.549) [0.4519, 0.6755, 0.4701]\n", + " PeriodicSite: S (9.169, 14.46, 18.78) [0.4514, 0.7118, 0.9244]\n", + " PeriodicSite: S (19.38, 3.809, 8.983) [0.9541, 0.1875, 0.4422]\n", + " PeriodicSite: S (19.35, 3.867, 18.88) [0.9529, 0.1903, 0.9295]\n", + " PeriodicSite: S (19.09, 13.76, 8.516) [0.94, 0.6774, 0.4193]\n", + " PeriodicSite: S (19.07, 14.34, 18.9) [0.9388, 0.706, 0.9303]\n", + " PeriodicSite: S (3.735, 1.116, 1.161) [0.1839, 0.05495, 0.05716]\n", + " PeriodicSite: S (4.242, 0.7992, 11.74) [0.2089, 0.03935, 0.5782]\n", + " PeriodicSite: S (3.587, 11.55, 1.078) [0.1766, 0.5687, 0.0531]\n", + " PeriodicSite: S (3.544, 11.33, 11.13) [0.1745, 0.5576, 0.5478]\n", + " PeriodicSite: S (14.29, 1.106, 1.339) [0.7034, 0.05445, 0.06595]\n", + " PeriodicSite: S (13.85, 1.117, 11.47) [0.6817, 0.05497, 0.5645]\n", + " PeriodicSite: S (13.85, 11.54, 1.386) [0.6816, 0.5679, 0.06822]\n", + " PeriodicSite: S (13.72, 11.36, 11.15) [0.6752, 0.5592, 0.5489]\n", + " PeriodicSite: S (6.136, 1.063, 9.062) [0.3021, 0.05233, 0.4461]\n", + " PeriodicSite: S (6.486, 1.385, 19.09) [0.3193, 0.06817, 0.9399]\n", + " PeriodicSite: S (6.197, 11.8, 9.448) [0.3051, 0.5811, 0.4651]\n", + " PeriodicSite: S (5.835, 11.27, 19.02) [0.2873, 0.5551, 0.9363]\n", + " PeriodicSite: S (16.26, 1.462, 9.14) [0.8004, 0.07198, 0.45]\n", + " PeriodicSite: S (16.7, 1.116, 19.06) [0.822, 0.05492, 0.9385]\n", + " PeriodicSite: S (16.25, 11.19, 9.079) [0.8002, 0.5508, 0.447]\n", + " PeriodicSite: S (16.2, 11.75, 19.1) [0.7977, 0.5784, 0.9404]\n", + " PeriodicSite: S (1.175, 4.07, 1.221) [0.05783, 0.2003, 0.06013]\n", + " PeriodicSite: S (1.166, 3.326, 11.47) [0.0574, 0.1638, 0.5647]\n", + " PeriodicSite: S (1.022, 14.02, 1.146) [0.05032, 0.6903, 0.0564]\n", + " PeriodicSite: S (0.709, 13.6, 11.1) [0.0349, 0.6695, 0.5467]\n", + " PeriodicSite: S (11.21, 3.742, 1.134) [0.5517, 0.1842, 0.05584]\n", + " PeriodicSite: S (11.4, 3.874, 11.23) [0.5613, 0.1907, 0.5531]\n", + " PeriodicSite: S (11.6, 13.96, 0.686) [0.5712, 0.6874, 0.03378]\n", + " PeriodicSite: S (11.42, 13.89, 11.9) [0.5623, 0.6839, 0.5857]\n", + " PeriodicSite: S (2.637, 2.27, 17.95) [0.1298, 0.1118, 0.8839]\n", + " PeriodicSite: S (2.777, 12.63, 7.4) [0.1367, 0.6217, 0.3643]\n", + " PeriodicSite: S (13.0, 2.588, 7.804) [0.6402, 0.1274, 0.3842]\n", + " PeriodicSite: S (9.166, 9.216, 3.51) [0.4512, 0.4537, 0.1728]\n", + " PeriodicSite: S (8.798, 8.942, 14.18) [0.4331, 0.4402, 0.6982]\n", + " PeriodicSite: S (8.84, 19.84, 3.579) [0.4352, 0.977, 0.1762]\n", + " PeriodicSite: S (9.322, 19.31, 13.91) [0.4589, 0.9505, 0.6848]\n", + " PeriodicSite: S (19.02, 8.573, 4.001) [0.9361, 0.4221, 0.197]\n", + " PeriodicSite: S (18.9, 8.894, 14.16) [0.9307, 0.4378, 0.6971]\n", + " PeriodicSite: S (19.21, 19.17, 4.025) [0.9455, 0.9437, 0.1981]\n", + " PeriodicSite: S (19.01, 19.19, 14.07) [0.9361, 0.9447, 0.6928]\n", + " PeriodicSite: S (3.779, 6.439, 5.997) [0.186, 0.317, 0.2952]\n", + " PeriodicSite: S (3.506, 6.26, 16.58) [0.1726, 0.3082, 0.8164]\n", + " PeriodicSite: S (4.061, 16.5, 6.475) [0.1999, 0.8123, 0.3188]\n", + " PeriodicSite: S (3.975, 16.2, 16.61) [0.1957, 0.7975, 0.8177]\n", + " PeriodicSite: S (13.93, 5.964, 6.136) [0.6859, 0.2936, 0.3021]\n", + " PeriodicSite: S (13.98, 6.519, 16.44) [0.6881, 0.3209, 0.8092]\n", + " PeriodicSite: S (13.96, 16.51, 6.197) [0.6871, 0.813, 0.3051]\n", + " PeriodicSite: S (14.37, 16.64, 16.74) [0.7073, 0.8193, 0.824]\n", + " PeriodicSite: S (6.392, 5.956, 3.786) [0.3147, 0.2932, 0.1864]\n", + " PeriodicSite: S (6.035, 6.298, 14.37) [0.2971, 0.3101, 0.7077]\n", + " PeriodicSite: S (6.493, 16.65, 3.927) [0.3197, 0.8199, 0.1933]\n", + " PeriodicSite: S (6.467, 16.31, 14.1) [0.3184, 0.8029, 0.694]\n", + " PeriodicSite: S (16.3, 6.353, 3.803) [0.8026, 0.3128, 0.1872]\n", + " PeriodicSite: S (16.37, 6.509, 14.19) [0.8061, 0.3204, 0.6985]\n", + " PeriodicSite: S (16.6, 16.85, 4.04) [0.8172, 0.8294, 0.1989]\n", + " PeriodicSite: S (16.67, 16.65, 14.22) [0.8207, 0.8196, 0.6999]\n", + " PeriodicSite: S (1.059, 8.796, 6.339) [0.05214, 0.433, 0.3121]\n", + " PeriodicSite: S (0.8575, 8.911, 16.58) [0.04222, 0.4387, 0.8162]\n", + " PeriodicSite: S (0.9348, 18.63, 6.6) [0.04601, 0.9171, 0.3249]\n", + " PeriodicSite: S (1.339, 18.86, 16.22) [0.06594, 0.9287, 0.7988]\n", + " PeriodicSite: S (11.11, 9.55, 6.215) [0.5468, 0.4701, 0.306]\n", + " PeriodicSite: S (10.92, 8.778, 16.73) [0.5374, 0.4322, 0.8235]\n", + " PeriodicSite: S (10.9, 19.72, 6.329) [0.5367, 0.971, 0.3116]\n", + " PeriodicSite: S (11.36, 19.22, 16.49) [0.5593, 0.9462, 0.8118]\n", + " PeriodicSite: S (2.533, 17.77, 2.598) [0.1247, 0.8748, 0.1279]\n", + " PeriodicSite: S (2.422, 17.45, 12.81) [0.1192, 0.8591, 0.6308]\n", + " PeriodicSite: S (12.58, 7.551, 12.61) [0.6191, 0.3717, 0.6209]\n", + " PeriodicSite: S (12.78, 17.94, 2.78) [0.6291, 0.883, 0.1369]\n", + " PeriodicSite: S (3.702, 4.131, 3.565) [0.1823, 0.2034, 0.1755]\n", + " PeriodicSite: S (3.694, 3.738, 14.31) [0.1819, 0.184, 0.7044]\n", + " PeriodicSite: S (3.946, 14.44, 3.843) [0.1943, 0.711, 0.1892]\n", + " PeriodicSite: S (4.193, 13.8, 14.1) [0.2064, 0.6791, 0.6941]\n", + " PeriodicSite: S (14.15, 3.709, 3.647) [0.6964, 0.1826, 0.1796]\n", + " PeriodicSite: S (14.19, 4.154, 13.84) [0.6986, 0.2045, 0.6812]\n", + " PeriodicSite: S (13.97, 14.62, 3.637) [0.6876, 0.7195, 0.179]\n", + " PeriodicSite: S (14.17, 14.36, 14.21) [0.6977, 0.7067, 0.6998]\n", + " PeriodicSite: S (8.868, 1.94, 6.02) [0.4366, 0.09551, 0.2964]\n", + " PeriodicSite: S (8.958, 1.339, 16.45) [0.441, 0.0659, 0.81]\n", + " PeriodicSite: S (8.563, 11.51, 5.809) [0.4216, 0.5668, 0.286]\n", + " PeriodicSite: S (8.752, 11.31, 16.56) [0.4309, 0.5567, 0.8152]\n", + " PeriodicSite: S (18.93, 0.7712, 6.798) [0.932, 0.03796, 0.3347]\n", + " PeriodicSite: S (19.54, 0.9457, 16.8) [0.9617, 0.04655, 0.8273]\n", + " PeriodicSite: S (18.76, 10.97, 6.017) [0.9234, 0.5398, 0.2962]\n", + " PeriodicSite: S (18.91, 11.42, 16.46) [0.9312, 0.5624, 0.8105]\n", + " PeriodicSite: S (1.051, 1.347, 4.678) [0.05175, 0.0663, 0.2303]\n", + " PeriodicSite: S (1.016, 1.127, 14.01) [0.05004, 0.05547, 0.6899]\n", + " PeriodicSite: S (1.111, 11.12, 4.007) [0.05472, 0.5474, 0.1973]\n", + " PeriodicSite: S (0.8539, 11.27, 14.22) [0.04204, 0.5548, 0.7]\n", + " PeriodicSite: S (11.49, 1.478, 3.874) [0.5655, 0.07274, 0.1907]\n", + " PeriodicSite: S (11.4, 1.335, 14.04) [0.5612, 0.0657, 0.6911]\n", + " PeriodicSite: S (11.45, 11.75, 3.937) [0.5636, 0.5787, 0.1938]\n", + " PeriodicSite: S (11.3, 11.14, 14.31) [0.5564, 0.5483, 0.7044]\n", + " PeriodicSite: S (5.791, 3.916, 6.259) [0.2851, 0.1928, 0.3082]\n", + " PeriodicSite: S (6.004, 3.912, 16.8) [0.2956, 0.1926, 0.827]\n", + " PeriodicSite: S (6.387, 14.16, 6.18) [0.3144, 0.6969, 0.3043]\n", + " PeriodicSite: S (6.509, 14.16, 16.67) [0.3204, 0.6972, 0.8207]\n", + " PeriodicSite: S (16.79, 4.269, 6.136) [0.8264, 0.2102, 0.3021]\n", + " PeriodicSite: S (16.27, 4.043, 16.41) [0.8009, 0.199, 0.8079]\n", + " PeriodicSite: S (16.36, 14.12, 5.802) [0.8056, 0.6952, 0.2857]\n", + " PeriodicSite: S (16.78, 14.28, 16.43) [0.8259, 0.7031, 0.8091]\n", + " PeriodicSite: S (7.546, 2.62, 13.08) [0.3715, 0.129, 0.6437]\n", + " PeriodicSite: S (7.674, 12.75, 2.17) [0.3778, 0.6278, 0.1068]\n", + " PeriodicSite: S (17.91, 2.656, 2.275) [0.8819, 0.1308, 0.112]\n", + " PeriodicSite: S (17.7, 12.67, 2.363) [0.8713, 0.624, 0.1164]\n", + " PeriodicSite: S (17.64, 12.5, 12.37) [0.8687, 0.6155, 0.6091]\n", + " PeriodicSite: S (4.001, 8.993, 8.909) [0.197, 0.4427, 0.4386]\n", + " PeriodicSite: S (3.233, 9.194, 19.49) [0.1591, 0.4526, 0.9597]\n", + " PeriodicSite: S (4.171, 18.95, 8.975) [0.2053, 0.9329, 0.4419]\n", + " PeriodicSite: S (4.459, 19.07, 18.85) [0.2195, 0.9387, 0.9281]\n", + " PeriodicSite: S (14.03, 9.042, 8.55) [0.6907, 0.4452, 0.4209]\n", + " PeriodicSite: S (13.66, 9.19, 19.42) [0.6724, 0.4524, 0.9562]\n", + " PeriodicSite: S (14.23, 19.24, 8.941) [0.7005, 0.9472, 0.4402]\n", + " PeriodicSite: S (14.38, 18.81, 19.33) [0.7081, 0.9259, 0.9514]\n", + " PeriodicSite: S (9.094, 6.499, 1.097) [0.4477, 0.3199, 0.054]\n", + " PeriodicSite: S (9.05, 6.387, 11.4) [0.4456, 0.3144, 0.5611]\n", + " PeriodicSite: S (9.593, 16.74, 0.7573) [0.4722, 0.8242, 0.03729]\n", + " PeriodicSite: S (9.221, 16.33, 11.67) [0.454, 0.8042, 0.5744]\n", + " PeriodicSite: S (18.68, 6.325, 0.7463) [0.9197, 0.3114, 0.03675]\n", + " PeriodicSite: S (19.17, 5.691, 11.77) [0.9438, 0.2802, 0.5793]\n", + " PeriodicSite: S (19.22, 16.58, 1.071) [0.9462, 0.8162, 0.05275]\n", + " PeriodicSite: S (19.22, 16.42, 10.68) [0.9465, 0.8085, 0.5256]\n", + " PeriodicSite: S (1.337, 6.106, 9.501) [0.06582, 0.3006, 0.4677]\n", + " PeriodicSite: S (1.304, 6.39, 19.39) [0.06419, 0.3146, 0.9545]\n", + " PeriodicSite: S (1.632, 15.9, 8.711) [0.08033, 0.7829, 0.4289]\n", + " PeriodicSite: S (1.27, 16.56, 19.33) [0.06254, 0.8152, 0.9518]\n", + " PeriodicSite: S (10.96, 6.236, 8.658) [0.5396, 0.307, 0.4262]\n", + " PeriodicSite: S (11.61, 6.056, 19.18) [0.5716, 0.2981, 0.944]\n", + " PeriodicSite: S (11.51, 16.1, 9.452) [0.5664, 0.7925, 0.4654]\n", + " PeriodicSite: S (11.86, 16.21, 18.67) [0.5841, 0.7981, 0.9191]\n", + " PeriodicSite: S (5.805, 9.096, 1.436) [0.2858, 0.4478, 0.0707]\n", + " PeriodicSite: S (6.105, 9.322, 11.58) [0.3005, 0.459, 0.57]\n", + " PeriodicSite: S (6.58, 19.26, 1.087) [0.3239, 0.9481, 0.0535]\n", + " PeriodicSite: S (6.455, 18.93, 11.29) [0.3178, 0.9317, 0.5561]\n", + " PeriodicSite: S (16.11, 9.038, 0.8727) [0.793, 0.445, 0.04297]\n", + " PeriodicSite: S (15.8, 8.689, 11.31) [0.7778, 0.4278, 0.5566]\n", + " PeriodicSite: S (16.72, 19.24, 1.384) [0.8231, 0.9473, 0.06814]\n", + " PeriodicSite: S (16.6, 19.35, 11.52) [0.8175, 0.9526, 0.5674]\n", + " PeriodicSite: S (7.044, 7.474, 17.82) [0.3468, 0.368, 0.8775]\n", + " PeriodicSite: S (7.572, 17.44, 7.595) [0.3728, 0.8584, 0.3739]\n", + " PeriodicSite: S (17.86, 7.542, 7.762) [0.8791, 0.3713, 0.3822]\n", + " PeriodicSite: S (17.53, 17.89, 7.566) [0.863, 0.8807, 0.3725]\n", + " PeriodicSite: P (5.246, 0.1316, 20.28) [0.2583, 0.006478, 0.9982]\n", + " PeriodicSite: P (5.196, 20.1, 10.25) [0.2558, 0.9895, 0.5046]\n", + " PeriodicSite: P (4.724, 10.25, 0.1265) [0.2326, 0.5048, 0.006229]\n", + " PeriodicSite: P (4.934, 10.24, 10.25) [0.2429, 0.5043, 0.5048]\n", + " PeriodicSite: P (15.47, 20.23, 0.05563) [0.7616, 0.9958, 0.002744]\n", + " PeriodicSite: P (15.16, 0.1463, 10.29) [0.7465, 0.007194, 0.5068]\n", + " PeriodicSite: P (14.93, 10.41, 0.04331) [0.735, 0.5126, 0.002137]\n", + " PeriodicSite: P (14.89, 10.08, 10.08) [0.7331, 0.4962, 0.4964]\n", + " PeriodicSite: P (4.885, 5.102, 4.93) [0.2405, 0.2512, 0.2427]\n", + " PeriodicSite: P (4.81, 4.983, 15.51) [0.2368, 0.2453, 0.7636]\n", + " PeriodicSite: P (5.169, 15.45, 5.088) [0.2545, 0.7608, 0.2505]\n", + " PeriodicSite: P (5.255, 15.1, 15.38) [0.2587, 0.7434, 0.7571]\n", + " PeriodicSite: P (15.3, 4.961, 4.922) [0.7531, 0.2442, 0.2423]\n", + " PeriodicSite: P (15.17, 5.328, 15.19) [0.7471, 0.2623, 0.7476]\n", + " PeriodicSite: P (15.25, 15.48, 4.87) [0.7508, 0.7621, 0.2398]\n", + " PeriodicSite: P (15.44, 15.49, 15.32) [0.7604, 0.7625, 0.7542]\n", + " PeriodicSite: P (20.07, 20.15, 5.505) [0.9881, 0.9922, 0.271]\n", + " PeriodicSite: P (0.08034, 20.17, 15.3) [0.00395, 0.993, 0.7533]\n", + " PeriodicSite: P (20.15, 9.902, 5.117) [0.9921, 0.4875, 0.2519]\n", + " PeriodicSite: P (19.96, 10.04, 15.34) [0.9829, 0.4943, 0.755]\n", + " PeriodicSite: P (9.858, 0.7054, 4.896) [0.4853, 0.03472, 0.241]\n", + " PeriodicSite: P (10.24, 0.2199, 15.31) [0.5043, 0.01082, 0.7535]\n", + " PeriodicSite: P (10.03, 10.51, 4.658) [0.4939, 0.5176, 0.2293]\n", + " PeriodicSite: P (9.968, 10.08, 15.52) [0.4908, 0.4964, 0.7638]\n", + " PeriodicSite: P (20.18, 5.102, 20.18) [0.9934, 0.2512, 0.9936]\n", + " PeriodicSite: P (0.1235, 4.775, 10.38) [0.006082, 0.2351, 0.5111]\n", + " PeriodicSite: P (0.002128, 15.3, 20.22) [0.0001032, 0.7535, 0.9956]\n", + " PeriodicSite: P (0.04425, 14.87, 9.643) [0.002174, 0.732, 0.4747]\n", + " PeriodicSite: P (10.13, 5.116, 20.31) [0.4989, 0.2518, 0.9998]\n", + " PeriodicSite: P (10.05, 5.066, 10.1) [0.4949, 0.2494, 0.4974]\n", + " PeriodicSite: P (10.51, 15.3, 19.94) [0.5172, 0.7533, 0.9818]\n", + " PeriodicSite: P (10.32, 15.0, 10.62) [0.5083, 0.7386, 0.5228],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.979, 5.524, 4.338) [0.09744, 0.272, 0.2135]\n", + " PeriodicSite: Li (20.19, 3.529, 12.97) [0.9938, 0.1737, 0.6384]\n", + " PeriodicSite: Li (0.5454, 12.61, 7.182) [0.02685, 0.6209, 0.3536]\n", + " PeriodicSite: Li (0.1312, 13.62, 17.33) [0.006459, 0.6705, 0.8532]\n", + " PeriodicSite: Li (15.47, 1.624, 7.25) [0.7616, 0.07994, 0.357]\n", + " PeriodicSite: Li (11.98, 4.024, 16.01) [0.5898, 0.1981, 0.7884]\n", + " PeriodicSite: Li (13.35, 10.32, 3.211) [0.6573, 0.5079, 0.1581]\n", + " PeriodicSite: Li (16.66, 8.323, 15.37) [0.8202, 0.4097, 0.7567]\n", + " PeriodicSite: Li (3.996, 4.357, 8.745) [0.1967, 0.2145, 0.4305]\n", + " PeriodicSite: Li (1.654, 1.555, 19.58) [0.08142, 0.07658, 0.964]\n", + " PeriodicSite: Li (2.65, 8.817, 4.751) [0.1304, 0.4341, 0.2339]\n", + " PeriodicSite: Li (6.604, 10.07, 17.21) [0.3251, 0.4958, 0.8474]\n", + " PeriodicSite: Li (11.75, 5.032, 6.9) [0.5784, 0.2477, 0.3397]\n", + " PeriodicSite: Li (12.84, 0.4314, 17.49) [0.6323, 0.02123, 0.8611]\n", + " PeriodicSite: Li (10.17, 8.56, 11.9) [0.5007, 0.4214, 0.586]\n", + " PeriodicSite: Li (9.8, 18.07, 18.92) [0.4825, 0.8896, 0.9316]\n", + " PeriodicSite: Li (6.537, 1.189, 6.391) [0.3218, 0.05853, 0.3146]\n", + " PeriodicSite: Li (4.776, 18.11, 13.15) [0.2351, 0.8915, 0.6472]\n", + " PeriodicSite: Li (2.949, 10.61, 6.785) [0.1452, 0.5222, 0.334]\n", + " PeriodicSite: Li (6.752, 9.627, 13.6) [0.3324, 0.474, 0.6696]\n", + " PeriodicSite: Li (12.46, 0.3813, 7.563) [0.6132, 0.01877, 0.3723]\n", + " PeriodicSite: Li (10.38, 1.778, 18.65) [0.5112, 0.08753, 0.918]\n", + " PeriodicSite: Li (13.42, 15.11, 8.261) [0.6608, 0.7438, 0.4067]\n", + " PeriodicSite: Li (12.06, 10.98, 19.49) [0.5938, 0.5408, 0.9594]\n", + " PeriodicSite: Li (0.4523, 2.67, 6.907) [0.02227, 0.1314, 0.34]\n", + " PeriodicSite: Li (0.3743, 2.922, 16.5) [0.01843, 0.1439, 0.8123]\n", + " PeriodicSite: Li (2.574, 14.84, 7.371) [0.1267, 0.7304, 0.3629]\n", + " PeriodicSite: Li (4.628, 13.36, 18.39) [0.2278, 0.6577, 0.9052]\n", + " PeriodicSite: Li (13.13, 2.17, 5.47) [0.6463, 0.1068, 0.2693]\n", + " PeriodicSite: Li (15.19, 2.066, 17.05) [0.748, 0.1017, 0.8396]\n", + " PeriodicSite: Li (11.55, 11.97, 9.848) [0.5684, 0.5892, 0.4848]\n", + " PeriodicSite: Li (16.93, 17.64, 20.08) [0.8333, 0.8686, 0.9883]\n", + " PeriodicSite: Li (6.414, 0.4454, 3.234) [0.3158, 0.02192, 0.1592]\n", + " PeriodicSite: Li (0.128, 17.91, 2.416) [0.006293, 0.8817, 0.1189]\n", + " PeriodicSite: Li (2.857, 13.85, 9.936) [0.1406, 0.6818, 0.4892]\n", + " PeriodicSite: Li (1.852, 16.58, 14.97) [0.09116, 0.816, 0.7368]\n", + " PeriodicSite: Li (14.52, 4.48, 7.768) [0.7148, 0.2206, 0.3825]\n", + " PeriodicSite: Li (13.86, 5.427, 18.62) [0.6825, 0.2672, 0.9165]\n", + " PeriodicSite: Li (16.96, 15.28, 8.19) [0.835, 0.7525, 0.4032]\n", + " PeriodicSite: Li (10.09, 12.74, 16.89) [0.4968, 0.6274, 0.8317]\n", + " PeriodicSite: Li (3.634, 2.146, 5.082) [0.1789, 0.1056, 0.2502]\n", + " PeriodicSite: Li (3.354, 20.09, 16.88) [0.1651, 0.989, 0.8308]\n", + " PeriodicSite: Li (4.969, 12.28, 5.033) [0.2446, 0.6046, 0.2478]\n", + " PeriodicSite: Li (17.75, 14.54, 3.855) [0.8739, 0.716, 0.1898]\n", + " PeriodicSite: Li (10.56, 2.854, 8.63) [0.5201, 0.1405, 0.4249]\n", + " PeriodicSite: Li (17.49, 0.8432, 14.95) [0.8608, 0.0415, 0.7358]\n", + " PeriodicSite: Li (14.53, 11.34, 6.867) [0.7151, 0.5585, 0.3381]\n", + " PeriodicSite: Li (13.57, 9.074, 16.03) [0.6681, 0.4467, 0.7891]\n", + " PeriodicSite: Li (3.347, 12.14, 15.52) [0.1648, 0.5978, 0.7639]\n", + " PeriodicSite: Li (2.029, 11.06, 9.715) [0.09987, 0.5443, 0.4783]\n", + " PeriodicSite: Li (1.672, 15.44, 3.099) [0.08231, 0.7604, 0.1526]\n", + " PeriodicSite: Li (1.787, 1.206, 9.76) [0.08798, 0.05938, 0.4805]\n", + " PeriodicSite: Li (12.13, 5.071, 3.108) [0.5973, 0.2496, 0.153]\n", + " PeriodicSite: Li (11.64, 7.077, 14.78) [0.5731, 0.3484, 0.7275]\n", + " PeriodicSite: Li (11.11, 13.41, 5.756) [0.5469, 0.66, 0.2834]\n", + " PeriodicSite: Li (12.96, 20.22, 14.46) [0.6378, 0.9955, 0.7118]\n", + " PeriodicSite: Li (2.956, 6.043, 0.8616) [0.1455, 0.2975, 0.04242]\n", + " PeriodicSite: Li (3.227, 4.615, 12.08) [0.1589, 0.2272, 0.5948]\n", + " PeriodicSite: Li (5.241, 16.6, 18.56) [0.258, 0.8171, 0.9138]\n", + " PeriodicSite: Li (3.178, 20.01, 13.67) [0.1564, 0.985, 0.6727]\n", + " PeriodicSite: Li (13.49, 3.607, 0.2251) [0.6639, 0.1776, 0.01108]\n", + " PeriodicSite: Li (11.81, 5.699, 12.76) [0.5816, 0.2805, 0.6282]\n", + " PeriodicSite: Li (11.93, 15.93, 3.233) [0.5873, 0.784, 0.1592]\n", + " PeriodicSite: Li (10.45, 16.96, 13.48) [0.5144, 0.8349, 0.6638]\n", + " PeriodicSite: Li (2.907, 9.979, 16.96) [0.1431, 0.4913, 0.8348]\n", + " PeriodicSite: Li (4.206, 6.977, 11.18) [0.2071, 0.3435, 0.5504]\n", + " PeriodicSite: Li (4.941, 17.68, 2.577) [0.2432, 0.8704, 0.1269]\n", + " PeriodicSite: Li (2.067, 17.81, 10.2) [0.1018, 0.877, 0.502]\n", + " PeriodicSite: Li (10.66, 7.859, 1.539) [0.5247, 0.3869, 0.07578]\n", + " PeriodicSite: Li (14.84, 6.646, 12.06) [0.7308, 0.3272, 0.5937]\n", + " PeriodicSite: Li (10.18, 19.0, 2.107) [0.501, 0.9353, 0.1037]\n", + " PeriodicSite: Li (13.34, 15.8, 11.4) [0.6569, 0.7779, 0.561]\n", + " PeriodicSite: Li (0.2304, 8.253, 0.7902) [0.01134, 0.4063, 0.0389]\n", + " PeriodicSite: Li (17.82, 5.632, 9.221) [0.8771, 0.2773, 0.454]\n", + " PeriodicSite: Li (3.075, 18.32, 4.888) [0.1514, 0.9018, 0.2406]\n", + " PeriodicSite: Li (0.6325, 19.0, 12.52) [0.03113, 0.9353, 0.6165]\n", + " PeriodicSite: Li (8.702, 7.298, 5.106) [0.4284, 0.3593, 0.2514]\n", + " PeriodicSite: Li (13.63, 12.13, 16.0) [0.6709, 0.5971, 0.7875]\n", + " PeriodicSite: Li (14.96, 16.76, 2.304) [0.7367, 0.8253, 0.1134]\n", + " PeriodicSite: Li (12.08, 16.08, 16.55) [0.5947, 0.7917, 0.815]\n", + " PeriodicSite: Li (5.976, 7.818, 5.536) [0.2942, 0.3849, 0.2725]\n", + " PeriodicSite: Li (19.85, 11.17, 12.27) [0.9774, 0.5498, 0.6041]\n", + " PeriodicSite: Li (18.64, 17.09, 5.283) [0.9177, 0.8413, 0.2601]\n", + " PeriodicSite: Li (7.395, 18.91, 15.45) [0.3641, 0.9309, 0.7607]\n", + " PeriodicSite: Li (16.24, 9.225, 3.412) [0.7996, 0.4542, 0.168]\n", + " PeriodicSite: Li (12.77, 7.871, 10.48) [0.6286, 0.3875, 0.5157]\n", + " PeriodicSite: Li (12.95, 16.43, 0.4937) [0.6373, 0.8089, 0.02431]\n", + " PeriodicSite: Li (12.23, 19.5, 10.91) [0.6022, 0.9602, 0.5369]\n", + " PeriodicSite: Li (4.294, 2.756, 19.55) [0.2114, 0.1357, 0.9624]\n", + " PeriodicSite: Li (3.42, 9.589, 13.12) [0.1684, 0.4721, 0.646]\n", + " PeriodicSite: Li (2.241, 20.07, 2.876) [0.1103, 0.9881, 0.1416]\n", + " PeriodicSite: Li (0.006272, 15.22, 13.04) [0.0003053, 0.7495, 0.6417]\n", + " PeriodicSite: Li (13.41, 8.312, 5.061) [0.6603, 0.4092, 0.2492]\n", + " PeriodicSite: Li (13.41, 9.916, 13.04) [0.6603, 0.4882, 0.6421]\n", + " PeriodicSite: Li (12.4, 19.08, 4.663) [0.6105, 0.9393, 0.2296]\n", + " PeriodicSite: Li (17.99, 4.642, 14.18) [0.8855, 0.2285, 0.6979]\n", + " PeriodicSite: Li (10.14, 2.951, 3.26) [0.4992, 0.1453, 0.1605]\n", + " PeriodicSite: Li (9.879, 1.59, 11.9) [0.4864, 0.0783, 0.586]\n", + " PeriodicSite: Li (7.328, 10.74, 3.664) [0.3608, 0.5289, 0.1804]\n", + " PeriodicSite: Li (6.257, 12.04, 14.89) [0.308, 0.5926, 0.7329]\n", + " PeriodicSite: Li (18.1, 3.069, 5.072) [0.8911, 0.1511, 0.2497]\n", + " PeriodicSite: Li (13.64, 3.534, 9.943) [0.6714, 0.174, 0.4895]\n", + " PeriodicSite: Li (19.94, 12.6, 3.311) [0.9816, 0.6203, 0.163]\n", + " PeriodicSite: Li (16.86, 10.44, 12.96) [0.8299, 0.5142, 0.6378]\n", + " PeriodicSite: Li (6.324, 18.38, 5.873) [0.3113, 0.9049, 0.2891]\n", + " PeriodicSite: Li (9.375, 2.943, 14.19) [0.4615, 0.1449, 0.6984]\n", + " PeriodicSite: Li (7.463, 13.44, 20.07) [0.3674, 0.6615, 0.9882]\n", + " PeriodicSite: Li (9.517, 12.86, 14.16) [0.4685, 0.6333, 0.6973]\n", + " PeriodicSite: Li (14.66, 19.31, 2.949) [0.7215, 0.9506, 0.1452]\n", + " PeriodicSite: Li (18.45, 0.4263, 11.65) [0.9083, 0.02098, 0.5738]\n", + " PeriodicSite: Li (17.46, 14.66, 0.5875) [0.8595, 0.7215, 0.02893]\n", + " PeriodicSite: Li (16.95, 14.78, 11.83) [0.8342, 0.7277, 0.5822]\n", + " PeriodicSite: Li (7.833, 4.102, 4.93) [0.3856, 0.2019, 0.2427]\n", + " PeriodicSite: Li (5.867, 0.5649, 12.86) [0.2888, 0.02781, 0.6329]\n", + " PeriodicSite: Li (9.715, 12.64, 1.827) [0.4783, 0.6224, 0.08996]\n", + " PeriodicSite: Li (5.382, 13.35, 12.15) [0.265, 0.657, 0.5982]\n", + " PeriodicSite: Li (19.69, 3.978, 2.646) [0.9693, 0.1958, 0.1303]\n", + " PeriodicSite: Li (20.11, 7.117, 12.5) [0.9901, 0.3504, 0.6156]\n", + " PeriodicSite: Li (15.51, 13.55, 1.808) [0.7634, 0.6672, 0.08901]\n", + " PeriodicSite: Li (15.4, 12.47, 13.86) [0.7582, 0.6138, 0.6825]\n", + " PeriodicSite: Li (3.618, 0.1362, 6.948) [0.1781, 0.006703, 0.342]\n", + " PeriodicSite: Li (7.063, 1.653, 14.81) [0.3477, 0.08138, 0.729]\n", + " PeriodicSite: Li (5.094, 13.65, 1.646) [0.2508, 0.6718, 0.08106]\n", + " PeriodicSite: Li (8.201, 6.921, 15.8) [0.4037, 0.3407, 0.7778]\n", + " PeriodicSite: Li (16.96, 5.181, 1.906) [0.8352, 0.255, 0.09383]\n", + " PeriodicSite: Li (15.47, 18.48, 13.71) [0.7618, 0.91, 0.675]\n", + " PeriodicSite: Li (13.41, 13.64, 19.96) [0.66, 0.6715, 0.9825]\n", + " PeriodicSite: Li (17.75, 12.21, 10.17) [0.874, 0.6012, 0.5006]\n", + " PeriodicSite: Li (6.495, 6.864, 0.3037) [0.3197, 0.3379, 0.01495]\n", + " PeriodicSite: Li (5.598, 3.608, 12.43) [0.2756, 0.1776, 0.6117]\n", + " PeriodicSite: Li (7.375, 10.65, 0.8103) [0.3631, 0.5243, 0.0399]\n", + " PeriodicSite: Li (8.243, 12.13, 10.64) [0.4058, 0.5974, 0.5238]\n", + " PeriodicSite: Li (15.67, 1.902, 3.626) [0.7714, 0.09361, 0.1785]\n", + " PeriodicSite: Li (17.04, 3.482, 10.84) [0.8388, 0.1714, 0.5337]\n", + " PeriodicSite: Li (1.683, 12.02, 19.76) [0.08287, 0.5918, 0.9726]\n", + " PeriodicSite: Li (18.93, 13.08, 14.38) [0.9322, 0.6441, 0.7078]\n", + " PeriodicSite: Li (8.269, 2.247, 0.5852) [0.4071, 0.1106, 0.02881]\n", + " PeriodicSite: Li (7.065, 2.964, 10.31) [0.3478, 0.1459, 0.5074]\n", + " PeriodicSite: Li (8.268, 13.87, 4.264) [0.4071, 0.6828, 0.2099]\n", + " PeriodicSite: Li (3.328, 15.44, 12.13) [0.1638, 0.7603, 0.5972]\n", + " PeriodicSite: Li (16.71, 2.816, 0.4867) [0.8224, 0.1386, 0.02397]\n", + " PeriodicSite: Li (1.958, 6.25, 15.28) [0.0964, 0.3077, 0.7522]\n", + " PeriodicSite: Li (5.169, 13.32, 8.462) [0.2545, 0.6557, 0.4166]\n", + " PeriodicSite: Li (14.78, 12.79, 9.978) [0.7277, 0.6298, 0.4912]\n", + " PeriodicSite: Li (16.7, 12.06, 4.507) [0.8219, 0.5936, 0.2219]\n", + " PeriodicSite: Li (5.253, 7.837, 15.71) [0.2586, 0.3858, 0.7733]\n", + " PeriodicSite: Li (6.658, 16.1, 11.85) [0.3278, 0.7925, 0.5833]\n", + " PeriodicSite: Li (1.945, 18.94, 0.3562) [0.09574, 0.9325, 0.01754]\n", + " PeriodicSite: Li (17.1, 9.088, 6.249) [0.8417, 0.4474, 0.3076]\n", + " PeriodicSite: Li (2.951, 4.837, 18.52) [0.1453, 0.2381, 0.9119]\n", + " PeriodicSite: Li (17.17, 19.49, 5.765) [0.8451, 0.9595, 0.2838]\n", + " PeriodicSite: Li (20.01, 19.23, 18.16) [0.9852, 0.9467, 0.8941]\n", + " PeriodicSite: Li (6.278, 10.01, 7.035) [0.3091, 0.4929, 0.3463]\n", + " PeriodicSite: Li (7.071, 4.906, 18.31) [0.3481, 0.2415, 0.9015]\n", + " PeriodicSite: Li (8.516, 19.86, 8.9) [0.4193, 0.9777, 0.4382]\n", + " PeriodicSite: Li (8.176, 15.8, 17.17) [0.4025, 0.7779, 0.8454]\n", + " PeriodicSite: Li (17.89, 8.605, 9.87) [0.8807, 0.4236, 0.4859]\n", + " PeriodicSite: Li (17.5, 9.577, 19.0) [0.8614, 0.4715, 0.9354]\n", + " PeriodicSite: Li (18.18, 19.94, 8.442) [0.8949, 0.9818, 0.4156]\n", + " PeriodicSite: Li (18.36, 16.17, 16.22) [0.9037, 0.7961, 0.7987]\n", + " PeriodicSite: Li (6.847, 6.175, 9.338) [0.3371, 0.304, 0.4597]\n", + " PeriodicSite: Li (4.332, 2.137, 15.82) [0.2133, 0.1052, 0.7787]\n", + " PeriodicSite: Li (9.574, 17.56, 9.472) [0.4713, 0.8644, 0.4663]\n", + " PeriodicSite: Li (16.68, 11.06, 16.72) [0.8212, 0.5447, 0.823]\n", + " PeriodicSite: Li (19.57, 9.307, 7.842) [0.9636, 0.4582, 0.3861]\n", + " PeriodicSite: Li (17.3, 5.444, 18.75) [0.8516, 0.268, 0.9233]\n", + " PeriodicSite: Li (16.32, 17.29, 9.665) [0.8037, 0.8511, 0.4758]\n", + " PeriodicSite: Li (15.87, 14.75, 18.72) [0.7813, 0.7264, 0.9218]\n", + " PeriodicSite: Li (9.545, 9.748, 7.998) [0.4699, 0.4799, 0.3938]\n", + " PeriodicSite: Li (5.859, 4.309, 1.891) [0.2885, 0.2121, 0.09308]\n", + " PeriodicSite: Li (5.602, 17.08, 9.327) [0.2758, 0.8407, 0.4592]\n", + " PeriodicSite: Li (6.902, 15.49, 1.612) [0.3398, 0.7627, 0.07938]\n", + " PeriodicSite: Li (15.47, 7.078, 8.395) [0.7618, 0.3485, 0.4133]\n", + " PeriodicSite: Li (19.65, 8.172, 17.7) [0.9672, 0.4023, 0.8713]\n", + " PeriodicSite: Li (15.1, 18.37, 7.193) [0.7432, 0.9042, 0.3541]\n", + " PeriodicSite: Li (15.93, 18.4, 16.98) [0.7841, 0.906, 0.836]\n", + " PeriodicSite: Li (7.626, 4.959, 12.31) [0.3754, 0.2441, 0.6061]\n", + " PeriodicSite: Li (4.895, 6.929, 18.69) [0.241, 0.3411, 0.9204]\n", + " PeriodicSite: Li (8.987, 17.53, 5.622) [0.4424, 0.8631, 0.2768]\n", + " PeriodicSite: Li (12.58, 19.87, 0.4114) [0.6194, 0.978, 0.02026]\n", + " PeriodicSite: Li (18.06, 6.265, 5.809) [0.8894, 0.3084, 0.286]\n", + " PeriodicSite: Li (14.73, 7.234, 0.8462) [0.7252, 0.3561, 0.04167]\n", + " PeriodicSite: Li (19.58, 17.45, 8.641) [0.9641, 0.8591, 0.4254]\n", + " PeriodicSite: Li (18.32, 0.502, 1.825) [0.902, 0.02471, 0.08983]\n", + " PeriodicSite: Li (4.046, 9.217, 2.758) [0.1992, 0.4538, 0.1358]\n", + " PeriodicSite: Li (9.069, 8.409, 18.69) [0.4465, 0.414, 0.9203]\n", + " PeriodicSite: Li (7.729, 15.48, 7.78) [0.3805, 0.7619, 0.383]\n", + " PeriodicSite: Li (6.541, 0.1803, 17.32) [0.322, 0.008873, 0.8526]\n", + " PeriodicSite: Li (0.02066, 6.569, 7.804) [0.001016, 0.3234, 0.3842]\n", + " PeriodicSite: Li (18.18, 11.84, 0.2242) [0.895, 0.5829, 0.01104]\n", + " PeriodicSite: Li (3.08, 15.57, 0.3086) [0.1516, 0.7664, 0.01519]\n", + " PeriodicSite: Li (15.07, 2.06, 14.01) [0.7419, 0.1014, 0.6897]\n", + " PeriodicSite: Cl (7.375, 12.15, 12.89) [0.3631, 0.5981, 0.6344]\n", + " PeriodicSite: Cl (2.371, 12.5, 17.53) [0.1167, 0.6152, 0.863]\n", + " PeriodicSite: Cl (12.87, 18.05, 12.82) [0.6334, 0.8885, 0.631]\n", + " PeriodicSite: Cl (17.5, 7.72, 17.64) [0.8616, 0.3801, 0.8685]\n", + " PeriodicSite: Cl (7.562, 2.83, 2.763) [0.3723, 0.1393, 0.136]\n", + " PeriodicSite: Cl (8.168, 8.11, 7.184) [0.4021, 0.3992, 0.3537]\n", + " PeriodicSite: Cl (12.73, 12.98, 8.102) [0.6269, 0.6388, 0.3989]\n", + " PeriodicSite: Cl (2.23, 7.68, 2.618) [0.1098, 0.3781, 0.1289]\n", + " PeriodicSite: Cl (2.536, 7.036, 12.93) [0.1248, 0.3464, 0.6367]\n", + " PeriodicSite: Cl (12.56, 12.5, 17.79) [0.6181, 0.6151, 0.8758]\n", + " PeriodicSite: Cl (17.86, 17.6, 17.99) [0.8791, 0.8665, 0.8856]\n", + " PeriodicSite: Cl (2.847, 2.447, 7.905) [0.1402, 0.1205, 0.3892]\n", + " PeriodicSite: Cl (12.95, 2.785, 18.17) [0.6375, 0.1371, 0.8944]\n", + " PeriodicSite: Cl (12.57, 7.532, 2.564) [0.6189, 0.3708, 0.1262]\n", + " PeriodicSite: Cl (17.8, 2.513, 13.03) [0.8761, 0.1237, 0.6413]\n", + " PeriodicSite: Cl (7.49, 18.13, 17.5) [0.3687, 0.8927, 0.8614]\n", + " PeriodicSite: Cl (20.25, 20.18, 0.1189) [0.997, 0.9935, 0.005859]\n", + " PeriodicSite: Cl (20.24, 19.77, 10.33) [0.9965, 0.9734, 0.5085]\n", + " PeriodicSite: Cl (19.96, 10.37, 19.74) [0.9827, 0.5105, 0.9719]\n", + " PeriodicSite: Cl (19.91, 10.14, 10.02) [0.9803, 0.499, 0.4931]\n", + " PeriodicSite: Cl (10.52, 20.17, 19.86) [0.518, 0.9929, 0.9779]\n", + " PeriodicSite: Cl (10.34, 0.5405, 10.18) [0.5091, 0.02661, 0.5011]\n", + " PeriodicSite: Cl (9.722, 10.04, 20.17) [0.4786, 0.494, 0.9928]\n", + " PeriodicSite: Cl (9.963, 10.22, 10.28) [0.4905, 0.5032, 0.5063]\n", + " PeriodicSite: Cl (20.05, 4.809, 5.213) [0.9871, 0.2367, 0.2567]\n", + " PeriodicSite: Cl (19.98, 4.894, 14.86) [0.9837, 0.2409, 0.7318]\n", + " PeriodicSite: Cl (20.14, 14.77, 4.733) [0.9916, 0.727, 0.233]\n", + " PeriodicSite: Cl (0.0958, 15.11, 15.57) [0.004714, 0.7437, 0.7667]\n", + " PeriodicSite: Cl (10.4, 5.012, 4.902) [0.512, 0.2468, 0.2413]\n", + " PeriodicSite: Cl (10.14, 5.116, 15.1) [0.4993, 0.2519, 0.7432]\n", + " PeriodicSite: Cl (9.924, 15.29, 4.975) [0.4885, 0.7526, 0.2449]\n", + " PeriodicSite: Cl (10.1, 15.29, 15.19) [0.4971, 0.7529, 0.748]\n", + " PeriodicSite: S (4.921, 20.17, 5.009) [0.2423, 0.9928, 0.2466]\n", + " PeriodicSite: S (5.485, 0.01122, 15.13) [0.27, 0.000551, 0.7447]\n", + " PeriodicSite: S (4.779, 9.985, 5.046) [0.2353, 0.4916, 0.2484]\n", + " PeriodicSite: S (4.876, 10.13, 15.2) [0.24, 0.4986, 0.7481]\n", + " PeriodicSite: S (14.66, 20.26, 5.488) [0.7219, 0.9975, 0.2702]\n", + " PeriodicSite: S (15.28, 0.1196, 15.48) [0.7524, 0.005884, 0.7619]\n", + " PeriodicSite: S (15.03, 10.11, 5.036) [0.7398, 0.4979, 0.2479]\n", + " PeriodicSite: S (15.07, 10.34, 14.85) [0.7421, 0.509, 0.7312]\n", + " PeriodicSite: S (5.041, 5.157, 20.0) [0.2482, 0.2539, 0.9848]\n", + " PeriodicSite: S (5.263, 4.946, 10.64) [0.2591, 0.2435, 0.524]\n", + " PeriodicSite: S (5.398, 15.12, 20.25) [0.2657, 0.7444, 0.997]\n", + " PeriodicSite: S (4.97, 15.11, 10.47) [0.2447, 0.7437, 0.5153]\n", + " PeriodicSite: S (15.43, 5.034, 20.25) [0.7597, 0.2478, 0.9969]\n", + " PeriodicSite: S (15.46, 5.005, 9.952) [0.7612, 0.2464, 0.49]\n", + " PeriodicSite: S (15.25, 15.6, 0.3574) [0.7509, 0.7678, 0.0176]\n", + " PeriodicSite: S (15.24, 15.01, 10.05) [0.7504, 0.7389, 0.495]\n", + " PeriodicSite: S (8.704, 4.291, 8.803) [0.4285, 0.2112, 0.4334]\n", + " PeriodicSite: S (8.853, 3.764, 19.24) [0.4359, 0.1853, 0.947]\n", + " PeriodicSite: S (9.215, 13.98, 9.418) [0.4536, 0.6884, 0.4637]\n", + " PeriodicSite: S (9.343, 14.2, 18.73) [0.46, 0.699, 0.9219]\n", + " PeriodicSite: S (19.61, 3.639, 8.877) [0.9652, 0.1792, 0.437]\n", + " PeriodicSite: S (19.56, 3.88, 18.43) [0.9632, 0.191, 0.9074]\n", + " PeriodicSite: S (19.16, 13.95, 8.692) [0.9432, 0.6867, 0.4279]\n", + " PeriodicSite: S (19.12, 14.16, 19.12) [0.9414, 0.697, 0.9411]\n", + " PeriodicSite: S (3.621, 1.023, 1.072) [0.1783, 0.05034, 0.05278]\n", + " PeriodicSite: S (3.899, 0.6592, 11.61) [0.1919, 0.03245, 0.5714]\n", + " PeriodicSite: S (3.6, 11.83, 1.169) [0.1772, 0.5822, 0.05754]\n", + " PeriodicSite: S (3.795, 11.42, 11.54) [0.1868, 0.5624, 0.5684]\n", + " PeriodicSite: S (14.27, 1.476, 1.044) [0.7024, 0.07267, 0.05138]\n", + " PeriodicSite: S (13.79, 1.286, 11.57) [0.679, 0.06328, 0.5697]\n", + " PeriodicSite: S (13.82, 11.51, 0.9304) [0.6806, 0.5668, 0.04581]\n", + " PeriodicSite: S (13.72, 11.22, 11.08) [0.6753, 0.5522, 0.5453]\n", + " PeriodicSite: S (6.3, 1.009, 9.214) [0.3101, 0.04966, 0.4536]\n", + " PeriodicSite: S (6.284, 1.246, 19.59) [0.3094, 0.06132, 0.9645]\n", + " PeriodicSite: S (6.483, 11.43, 9.062) [0.3192, 0.5629, 0.4461]\n", + " PeriodicSite: S (6.007, 11.6, 19.16) [0.2957, 0.5711, 0.9431]\n", + " PeriodicSite: S (16.61, 1.338, 9.423) [0.8178, 0.06586, 0.4639]\n", + " PeriodicSite: S (16.92, 0.9143, 19.24) [0.8332, 0.04501, 0.9473]\n", + " PeriodicSite: S (15.93, 11.21, 8.698) [0.7841, 0.552, 0.4282]\n", + " PeriodicSite: S (16.03, 11.43, 18.93) [0.7894, 0.5627, 0.9322]\n", + " PeriodicSite: S (1.263, 4.047, 0.8041) [0.06216, 0.1992, 0.03959]\n", + " PeriodicSite: S (1.469, 3.194, 11.3) [0.07233, 0.1572, 0.5561]\n", + " PeriodicSite: S (1.368, 14.14, 0.9094) [0.06732, 0.6962, 0.04477]\n", + " PeriodicSite: S (1.082, 13.72, 11.51) [0.05327, 0.6757, 0.5664]\n", + " PeriodicSite: S (11.14, 3.683, 1.118) [0.5486, 0.1813, 0.05505]\n", + " PeriodicSite: S (10.98, 3.986, 11.36) [0.5405, 0.1962, 0.5593]\n", + " PeriodicSite: S (11.39, 14.13, 1.065) [0.561, 0.6956, 0.05242]\n", + " PeriodicSite: S (11.39, 13.93, 11.92) [0.5606, 0.686, 0.587]\n", + " PeriodicSite: S (2.993, 2.245, 17.63) [0.1473, 0.1105, 0.868]\n", + " PeriodicSite: S (2.738, 12.72, 7.931) [0.1348, 0.6263, 0.3904]\n", + " PeriodicSite: S (12.9, 2.819, 7.599) [0.635, 0.1388, 0.3741]\n", + " PeriodicSite: S (9.164, 9.099, 3.503) [0.4511, 0.4479, 0.1725]\n", + " PeriodicSite: S (8.877, 8.55, 14.23) [0.437, 0.4209, 0.7004]\n", + " PeriodicSite: S (8.584, 19.25, 4.114) [0.4226, 0.9477, 0.2025]\n", + " PeriodicSite: S (9.336, 19.62, 13.64) [0.4596, 0.9658, 0.6717]\n", + " PeriodicSite: S (18.95, 8.511, 4.143) [0.933, 0.419, 0.2039]\n", + " PeriodicSite: S (18.85, 9.24, 13.76) [0.928, 0.4549, 0.6775]\n", + " PeriodicSite: S (19.24, 19.14, 3.937) [0.9471, 0.9421, 0.1938]\n", + " PeriodicSite: S (18.99, 19.38, 13.94) [0.9349, 0.9539, 0.6861]\n", + " PeriodicSite: S (4.059, 6.421, 5.85) [0.1998, 0.3161, 0.288]\n", + " PeriodicSite: S (3.785, 5.965, 16.61) [0.1863, 0.2937, 0.8179]\n", + " PeriodicSite: S (4.318, 16.61, 6.436) [0.2126, 0.8177, 0.3168]\n", + " PeriodicSite: S (3.871, 16.23, 16.63) [0.1906, 0.7991, 0.8187]\n", + " PeriodicSite: S (14.19, 6.5, 6.404) [0.6986, 0.32, 0.3153]\n", + " PeriodicSite: S (13.85, 6.512, 16.42) [0.682, 0.3206, 0.8086]\n", + " PeriodicSite: S (13.85, 16.29, 6.326) [0.6817, 0.8019, 0.3114]\n", + " PeriodicSite: S (14.27, 16.47, 16.9) [0.7024, 0.8109, 0.8322]\n", + " PeriodicSite: S (6.808, 5.912, 3.986) [0.3351, 0.291, 0.1962]\n", + " PeriodicSite: S (6.418, 6.11, 14.35) [0.316, 0.3008, 0.7063]\n", + " PeriodicSite: S (6.395, 16.6, 4.111) [0.3148, 0.8174, 0.2024]\n", + " PeriodicSite: S (6.413, 16.57, 14.29) [0.3157, 0.8156, 0.7036]\n", + " PeriodicSite: S (16.12, 6.67, 3.983) [0.7938, 0.3283, 0.1961]\n", + " PeriodicSite: S (16.39, 6.39, 13.99) [0.8068, 0.3146, 0.6886]\n", + " PeriodicSite: S (16.6, 16.73, 4.262) [0.8174, 0.8239, 0.2098]\n", + " PeriodicSite: S (16.67, 16.24, 14.31) [0.8205, 0.7994, 0.7044]\n", + " PeriodicSite: S (1.128, 8.589, 6.739) [0.05551, 0.4229, 0.3318]\n", + " PeriodicSite: S (0.8817, 8.74, 16.11) [0.04341, 0.4303, 0.7933]\n", + " PeriodicSite: S (1.342, 19.48, 6.465) [0.06605, 0.959, 0.3183]\n", + " PeriodicSite: S (1.45, 19.03, 16.01) [0.07136, 0.9368, 0.7884]\n", + " PeriodicSite: S (11.33, 9.465, 6.099) [0.558, 0.466, 0.3003]\n", + " PeriodicSite: S (11.03, 8.716, 16.8) [0.543, 0.4291, 0.8271]\n", + " PeriodicSite: S (10.82, 19.47, 6.421) [0.5328, 0.9583, 0.3161]\n", + " PeriodicSite: S (11.42, 19.33, 16.17) [0.5623, 0.9514, 0.7963]\n", + " PeriodicSite: S (2.361, 17.77, 2.378) [0.1162, 0.8749, 0.1171]\n", + " PeriodicSite: S (2.499, 17.45, 12.68) [0.123, 0.8589, 0.6243]\n", + " PeriodicSite: S (12.47, 7.771, 12.75) [0.614, 0.3826, 0.6277]\n", + " PeriodicSite: S (12.65, 18.1, 2.417) [0.6229, 0.8913, 0.119]\n", + " PeriodicSite: S (4.187, 4.019, 3.66) [0.2061, 0.1979, 0.1802]\n", + " PeriodicSite: S (4.011, 3.746, 14.11) [0.1975, 0.1844, 0.6948]\n", + " PeriodicSite: S (3.923, 14.36, 4.102) [0.1931, 0.7068, 0.202]\n", + " PeriodicSite: S (4.288, 14.09, 14.1) [0.2111, 0.6937, 0.694]\n", + " PeriodicSite: S (14.17, 3.886, 3.911) [0.6977, 0.1913, 0.1925]\n", + " PeriodicSite: S (13.85, 4.143, 14.12) [0.6816, 0.204, 0.6949]\n", + " PeriodicSite: S (14.19, 14.44, 3.556) [0.6984, 0.7108, 0.1751]\n", + " PeriodicSite: S (13.77, 14.27, 14.44) [0.6778, 0.7026, 0.7111]\n", + " PeriodicSite: S (9.095, 2.079, 5.864) [0.4478, 0.1023, 0.2887]\n", + " PeriodicSite: S (8.92, 1.523, 16.26) [0.4392, 0.07499, 0.8003]\n", + " PeriodicSite: S (8.884, 11.74, 5.364) [0.4373, 0.5781, 0.2641]\n", + " PeriodicSite: S (8.39, 11.12, 16.17) [0.413, 0.5475, 0.7959]\n", + " PeriodicSite: S (18.95, 1.237, 6.37) [0.933, 0.06091, 0.3136]\n", + " PeriodicSite: S (19.48, 0.9327, 16.76) [0.959, 0.04591, 0.825]\n", + " PeriodicSite: S (19.08, 11.09, 6.252) [0.9391, 0.546, 0.3078]\n", + " PeriodicSite: S (19.06, 11.24, 16.38) [0.9381, 0.5535, 0.8066]\n", + " PeriodicSite: S (1.205, 1.67, 4.252) [0.05934, 0.08224, 0.2093]\n", + " PeriodicSite: S (1.416, 1.282, 13.89) [0.06972, 0.06312, 0.6839]\n", + " PeriodicSite: S (1.086, 10.75, 4.012) [0.05344, 0.5292, 0.1975]\n", + " PeriodicSite: S (0.9786, 11.39, 14.07) [0.04818, 0.5606, 0.6927]\n", + " PeriodicSite: S (11.19, 0.9438, 3.749) [0.5509, 0.04646, 0.1846]\n", + " PeriodicSite: S (11.53, 1.681, 14.27) [0.5674, 0.08277, 0.7025]\n", + " PeriodicSite: S (11.43, 11.62, 3.421) [0.5626, 0.5719, 0.1684]\n", + " PeriodicSite: S (11.1, 11.2, 14.45) [0.5466, 0.5512, 0.7113]\n", + " PeriodicSite: S (6.011, 3.858, 6.515) [0.2959, 0.1899, 0.3207]\n", + " PeriodicSite: S (6.213, 3.525, 16.45) [0.3059, 0.1735, 0.8098]\n", + " PeriodicSite: S (6.442, 13.89, 6.154) [0.3171, 0.684, 0.303]\n", + " PeriodicSite: S (6.277, 14.11, 16.64) [0.309, 0.6945, 0.8193]\n", + " PeriodicSite: S (16.55, 4.051, 6.268) [0.8147, 0.1994, 0.3086]\n", + " PeriodicSite: S (16.41, 4.313, 16.46) [0.8078, 0.2124, 0.8106]\n", + " PeriodicSite: S (16.17, 13.96, 6.136) [0.7961, 0.6875, 0.3021]\n", + " PeriodicSite: S (16.49, 13.9, 16.49) [0.8121, 0.6845, 0.8117]\n", + " PeriodicSite: S (7.68, 2.515, 12.59) [0.3781, 0.1238, 0.6197]\n", + " PeriodicSite: S (7.547, 12.96, 2.111) [0.3715, 0.6379, 0.1039]\n", + " PeriodicSite: S (17.8, 2.522, 2.702) [0.8765, 0.1242, 0.133]\n", + " PeriodicSite: S (17.81, 12.87, 2.319) [0.8766, 0.6338, 0.1142]\n", + " PeriodicSite: S (17.54, 12.6, 12.6) [0.8635, 0.6201, 0.6201]\n", + " PeriodicSite: S (3.897, 9.46, 8.867) [0.1919, 0.4657, 0.4365]\n", + " PeriodicSite: S (3.26, 9.273, 19.3) [0.1605, 0.4565, 0.9503]\n", + " PeriodicSite: S (3.744, 19.05, 8.935) [0.1843, 0.9377, 0.4399]\n", + " PeriodicSite: S (4.194, 18.89, 18.97) [0.2065, 0.9298, 0.934]\n", + " PeriodicSite: S (13.62, 8.955, 8.708) [0.6704, 0.4409, 0.4287]\n", + " PeriodicSite: S (13.72, 8.971, 19.03) [0.6757, 0.4417, 0.937]\n", + " PeriodicSite: S (13.97, 19.22, 9.314) [0.6878, 0.9462, 0.4585]\n", + " PeriodicSite: S (14.21, 19.09, 19.3) [0.6997, 0.9396, 0.9501]\n", + " PeriodicSite: S (8.809, 6.221, 1.114) [0.4337, 0.3063, 0.05486]\n", + " PeriodicSite: S (8.719, 6.788, 11.27) [0.4292, 0.3342, 0.5547]\n", + " PeriodicSite: S (9.131, 16.55, 0.7399) [0.4495, 0.8147, 0.03643]\n", + " PeriodicSite: S (9.08, 16.47, 11.62) [0.447, 0.811, 0.5719]\n", + " PeriodicSite: S (18.95, 6.066, 0.6857) [0.933, 0.2986, 0.03376]\n", + " PeriodicSite: S (19.07, 5.172, 11.37) [0.9391, 0.2546, 0.5599]\n", + " PeriodicSite: S (19.08, 16.38, 1.313) [0.9395, 0.8062, 0.06467]\n", + " PeriodicSite: S (19.11, 16.1, 11.36) [0.941, 0.7924, 0.5595]\n", + " PeriodicSite: S (1.726, 6.107, 9.584) [0.08495, 0.3006, 0.4718]\n", + " PeriodicSite: S (1.273, 6.702, 19.21) [0.06266, 0.33, 0.9456]\n", + " PeriodicSite: S (1.164, 15.91, 9.011) [0.0573, 0.7832, 0.4436]\n", + " PeriodicSite: S (1.209, 16.42, 19.16) [0.05951, 0.8083, 0.9435]\n", + " PeriodicSite: S (11.37, 6.389, 9.222) [0.5597, 0.3145, 0.454]\n", + " PeriodicSite: S (11.52, 6.266, 19.32) [0.5674, 0.3085, 0.9512]\n", + " PeriodicSite: S (11.74, 16.32, 9.73) [0.5778, 0.8035, 0.479]\n", + " PeriodicSite: S (11.71, 16.25, 18.99) [0.5767, 0.8001, 0.9347]\n", + " PeriodicSite: S (5.674, 9.204, 1.177) [0.2794, 0.4531, 0.05796]\n", + " PeriodicSite: S (5.941, 8.693, 11.39) [0.2925, 0.428, 0.5608]\n", + " PeriodicSite: S (6.271, 19.2, 1.423) [0.3087, 0.9451, 0.07006]\n", + " PeriodicSite: S (6.248, 18.76, 11.13) [0.3076, 0.9234, 0.5478]\n", + " PeriodicSite: S (16.47, 8.985, 0.8517) [0.8111, 0.4423, 0.04193]\n", + " PeriodicSite: S (16.07, 9.008, 11.29) [0.7912, 0.4435, 0.5556]\n", + " PeriodicSite: S (16.44, 19.33, 1.618) [0.8095, 0.9515, 0.07966]\n", + " PeriodicSite: S (16.61, 19.09, 11.32) [0.8178, 0.9401, 0.5575]\n", + " PeriodicSite: S (6.928, 7.613, 17.99) [0.3411, 0.3748, 0.8856]\n", + " PeriodicSite: S (7.926, 17.88, 7.83) [0.3902, 0.8802, 0.3855]\n", + " PeriodicSite: S (18.01, 7.387, 7.832) [0.8864, 0.3637, 0.3856]\n", + " PeriodicSite: S (17.54, 17.65, 7.589) [0.8637, 0.8691, 0.3736]\n", + " PeriodicSite: P (4.984, 20.17, 0.1369) [0.2454, 0.993, 0.006742]\n", + " PeriodicSite: P (5.054, 20.08, 10.15) [0.2488, 0.9883, 0.4998]\n", + " PeriodicSite: P (4.633, 10.47, 20.24) [0.2281, 0.5152, 0.9963]\n", + " PeriodicSite: P (5.097, 10.25, 10.23) [0.2509, 0.5044, 0.5037]\n", + " PeriodicSite: P (15.44, 0.1229, 0.04381) [0.76, 0.006043, 0.002161]\n", + " PeriodicSite: P (15.22, 0.1591, 10.49) [0.7493, 0.007825, 0.5166]\n", + " PeriodicSite: P (15.02, 10.15, 20.15) [0.7394, 0.4995, 0.9918]\n", + " PeriodicSite: P (14.84, 10.05, 9.871) [0.7307, 0.4947, 0.486]\n", + " PeriodicSite: P (5.261, 5.144, 5.025) [0.259, 0.2533, 0.2474]\n", + " PeriodicSite: P (5.15, 4.864, 15.37) [0.2535, 0.2395, 0.7565]\n", + " PeriodicSite: P (5.296, 15.39, 5.175) [0.2607, 0.7577, 0.2548]\n", + " PeriodicSite: P (5.259, 15.34, 15.39) [0.2589, 0.7554, 0.7578]\n", + " PeriodicSite: P (15.25, 5.255, 5.108) [0.7507, 0.2587, 0.2515]\n", + " PeriodicSite: P (15.08, 5.291, 15.36) [0.7423, 0.2605, 0.756]\n", + " PeriodicSite: P (15.23, 15.42, 5.122) [0.7496, 0.7591, 0.2522]\n", + " PeriodicSite: P (15.17, 15.22, 15.53) [0.7469, 0.7492, 0.7646]\n", + " PeriodicSite: P (0.1884, 0.1708, 5.208) [0.009278, 0.008407, 0.2564]\n", + " PeriodicSite: P (0.1689, 0.09896, 15.09) [0.008319, 0.004873, 0.7427]\n", + " PeriodicSite: P (20.27, 9.654, 5.24) [0.9977, 0.4753, 0.258]\n", + " PeriodicSite: P (20.08, 10.16, 15.1) [0.9884, 0.5002, 0.7435]\n", + " PeriodicSite: P (9.937, 0.2736, 5.129) [0.4892, 0.01346, 0.2525]\n", + " PeriodicSite: P (10.19, 0.2782, 15.12) [0.5018, 0.0137, 0.7442]\n", + " PeriodicSite: P (10.23, 10.4, 4.654) [0.5037, 0.512, 0.2291]\n", + " PeriodicSite: P (9.878, 9.839, 15.44) [0.4863, 0.4844, 0.7602]\n", + " PeriodicSite: P (0.1012, 5.148, 19.97) [0.004985, 0.2535, 0.983]\n", + " PeriodicSite: P (0.4736, 4.697, 10.21) [0.02332, 0.2312, 0.5024]\n", + " PeriodicSite: P (0.02968, 15.34, 0.01195) [0.001454, 0.7551, 0.0005897]\n", + " PeriodicSite: P (20.19, 14.88, 10.2) [0.9938, 0.7324, 0.5019]\n", + " PeriodicSite: P (10.1, 5.157, 20.26) [0.4973, 0.2539, 0.9976]\n", + " PeriodicSite: P (9.831, 5.385, 10.16) [0.484, 0.2651, 0.5004]\n", + " PeriodicSite: P (10.34, 15.29, 20.14) [0.5092, 0.7526, 0.9914]\n", + " PeriodicSite: P (10.32, 15.16, 10.64) [0.5082, 0.7463, 0.5237],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.184, 5.802, 4.439) [0.1075, 0.2856, 0.2185]\n", + " PeriodicSite: Li (0.07667, 3.159, 13.0) [0.003777, 0.1555, 0.6398]\n", + " PeriodicSite: Li (0.3541, 12.59, 7.546) [0.01743, 0.6197, 0.3715]\n", + " PeriodicSite: Li (0.4596, 13.48, 17.45) [0.02262, 0.6636, 0.8592]\n", + " PeriodicSite: Li (15.09, 1.978, 6.603) [0.7431, 0.09736, 0.3251]\n", + " PeriodicSite: Li (12.16, 4.232, 16.31) [0.5985, 0.2083, 0.8029]\n", + " PeriodicSite: Li (13.63, 10.82, 3.291) [0.6709, 0.5327, 0.162]\n", + " PeriodicSite: Li (17.32, 8.184, 15.29) [0.8526, 0.4029, 0.7527]\n", + " PeriodicSite: Li (3.842, 4.092, 8.426) [0.1891, 0.2015, 0.4148]\n", + " PeriodicSite: Li (1.494, 1.893, 19.88) [0.07354, 0.09319, 0.9789]\n", + " PeriodicSite: Li (3.121, 8.538, 4.602) [0.1537, 0.4203, 0.2266]\n", + " PeriodicSite: Li (6.333, 9.798, 17.24) [0.3118, 0.4823, 0.8489]\n", + " PeriodicSite: Li (12.01, 4.691, 6.827) [0.5912, 0.2309, 0.3361]\n", + " PeriodicSite: Li (13.04, 0.4858, 17.38) [0.642, 0.02391, 0.8558]\n", + " PeriodicSite: Li (10.33, 8.58, 12.33) [0.5086, 0.4224, 0.6069]\n", + " PeriodicSite: Li (9.474, 18.54, 19.14) [0.4664, 0.9126, 0.9425]\n", + " PeriodicSite: Li (6.303, 1.498, 6.176) [0.3103, 0.07376, 0.304]\n", + " PeriodicSite: Li (4.753, 18.53, 13.53) [0.234, 0.9121, 0.6662]\n", + " PeriodicSite: Li (3.004, 10.35, 6.995) [0.1479, 0.5093, 0.3444]\n", + " PeriodicSite: Li (6.777, 9.833, 13.44) [0.3336, 0.4841, 0.6614]\n", + " PeriodicSite: Li (13.17, 0.2836, 7.44) [0.6485, 0.01396, 0.3663]\n", + " PeriodicSite: Li (10.71, 1.883, 18.36) [0.5275, 0.09271, 0.904]\n", + " PeriodicSite: Li (13.47, 15.38, 8.739) [0.6632, 0.7569, 0.4302]\n", + " PeriodicSite: Li (11.97, 9.657, 20.03) [0.5891, 0.4754, 0.9862]\n", + " PeriodicSite: Li (0.9312, 2.94, 6.232) [0.04584, 0.1447, 0.3068]\n", + " PeriodicSite: Li (0.2704, 3.339, 16.8) [0.01331, 0.1644, 0.8272]\n", + " PeriodicSite: Li (2.084, 15.23, 7.662) [0.1026, 0.7496, 0.3772]\n", + " PeriodicSite: Li (4.274, 13.53, 18.52) [0.2104, 0.6661, 0.9118]\n", + " PeriodicSite: Li (13.05, 2.277, 5.307) [0.6426, 0.1121, 0.2613]\n", + " PeriodicSite: Li (15.28, 2.228, 17.23) [0.7525, 0.1097, 0.8484]\n", + " PeriodicSite: Li (11.8, 12.35, 10.02) [0.5812, 0.608, 0.4931]\n", + " PeriodicSite: Li (17.31, 17.07, 0.04275) [0.8522, 0.8403, 0.002111]\n", + " PeriodicSite: Li (6.708, 0.1982, 3.689) [0.3302, 0.009753, 0.1816]\n", + " PeriodicSite: Li (0.2489, 18.62, 2.173) [0.01225, 0.9167, 0.107]\n", + " PeriodicSite: Li (3.293, 13.59, 9.933) [0.1621, 0.6691, 0.489]\n", + " PeriodicSite: Li (2.061, 17.16, 15.44) [0.1015, 0.845, 0.7604]\n", + " PeriodicSite: Li (15.0, 3.954, 8.451) [0.7384, 0.1947, 0.416]\n", + " PeriodicSite: Li (13.67, 5.888, 18.88) [0.6731, 0.2899, 0.9293]\n", + " PeriodicSite: Li (17.15, 15.37, 8.648) [0.8445, 0.7566, 0.4257]\n", + " PeriodicSite: Li (10.07, 12.86, 17.21) [0.4959, 0.6329, 0.8472]\n", + " PeriodicSite: Li (3.715, 1.869, 4.507) [0.1829, 0.092, 0.2219]\n", + " PeriodicSite: Li (2.872, 0.1294, 17.63) [0.1414, 0.00637, 0.8678]\n", + " PeriodicSite: Li (3.999, 12.64, 5.643) [0.1969, 0.6221, 0.2778]\n", + " PeriodicSite: Li (17.91, 14.84, 3.584) [0.882, 0.7308, 0.1765]\n", + " PeriodicSite: Li (10.43, 1.908, 8.097) [0.5137, 0.09393, 0.3986]\n", + " PeriodicSite: Li (17.69, 0.1835, 15.24) [0.8707, 0.009025, 0.7505]\n", + " PeriodicSite: Li (14.77, 11.87, 6.888) [0.727, 0.5842, 0.3391]\n", + " PeriodicSite: Li (13.77, 8.914, 16.12) [0.6777, 0.4389, 0.7938]\n", + " PeriodicSite: Li (3.346, 12.08, 15.08) [0.1647, 0.5946, 0.7424]\n", + " PeriodicSite: Li (2.178, 10.83, 9.72) [0.1072, 0.5331, 0.4785]\n", + " PeriodicSite: Li (1.743, 15.55, 3.183) [0.0858, 0.7658, 0.1567]\n", + " PeriodicSite: Li (1.989, 1.255, 9.739) [0.0979, 0.06177, 0.4795]\n", + " PeriodicSite: Li (11.85, 5.716, 3.298) [0.5833, 0.2814, 0.1624]\n", + " PeriodicSite: Li (11.33, 7.545, 15.0) [0.5579, 0.3714, 0.7384]\n", + " PeriodicSite: Li (10.97, 12.89, 5.261) [0.5398, 0.6348, 0.259]\n", + " PeriodicSite: Li (12.92, 20.14, 14.27) [0.6361, 0.9913, 0.7024]\n", + " PeriodicSite: Li (3.278, 5.716, 1.198) [0.1614, 0.2814, 0.05898]\n", + " PeriodicSite: Li (3.031, 4.992, 11.79) [0.1492, 0.2458, 0.5806]\n", + " PeriodicSite: Li (5.779, 17.44, 19.19) [0.2845, 0.8588, 0.9449]\n", + " PeriodicSite: Li (2.869, 19.88, 14.59) [0.1413, 0.9787, 0.7181]\n", + " PeriodicSite: Li (13.46, 3.542, 0.5539) [0.6627, 0.1744, 0.02727]\n", + " PeriodicSite: Li (12.06, 5.177, 13.12) [0.594, 0.2549, 0.6457]\n", + " PeriodicSite: Li (11.79, 15.98, 3.266) [0.5806, 0.7867, 0.1608]\n", + " PeriodicSite: Li (10.64, 17.57, 13.97) [0.5237, 0.8651, 0.6877]\n", + " PeriodicSite: Li (3.118, 10.23, 16.81) [0.1535, 0.5037, 0.8276]\n", + " PeriodicSite: Li (3.951, 6.781, 9.886) [0.1945, 0.3338, 0.4867]\n", + " PeriodicSite: Li (4.493, 16.37, 2.274) [0.2212, 0.8058, 0.1119]\n", + " PeriodicSite: Li (2.695, 17.56, 10.8) [0.1327, 0.8643, 0.5317]\n", + " PeriodicSite: Li (10.23, 8.153, 1.783) [0.5035, 0.4014, 0.08779]\n", + " PeriodicSite: Li (14.58, 6.603, 11.88) [0.7179, 0.3251, 0.5848]\n", + " PeriodicSite: Li (9.993, 18.55, 2.654) [0.4919, 0.9134, 0.1307]\n", + " PeriodicSite: Li (13.46, 15.7, 12.0) [0.6629, 0.7729, 0.5907]\n", + " PeriodicSite: Li (0.9778, 7.881, 0.6842) [0.04813, 0.388, 0.03368]\n", + " PeriodicSite: Li (17.92, 5.541, 9.056) [0.882, 0.2728, 0.4459]\n", + " PeriodicSite: Li (3.171, 18.23, 4.871) [0.1561, 0.8974, 0.2398]\n", + " PeriodicSite: Li (0.7827, 19.6, 12.57) [0.03853, 0.9649, 0.619]\n", + " PeriodicSite: Li (9.219, 7.62, 5.371) [0.4539, 0.3751, 0.2644]\n", + " PeriodicSite: Li (13.27, 12.13, 15.67) [0.6531, 0.597, 0.7715]\n", + " PeriodicSite: Li (14.56, 16.19, 2.406) [0.7167, 0.7972, 0.1184]\n", + " PeriodicSite: Li (12.45, 15.12, 17.23) [0.6127, 0.7443, 0.848]\n", + " PeriodicSite: Li (5.764, 8.213, 5.593) [0.2838, 0.4044, 0.2754]\n", + " PeriodicSite: Li (19.79, 11.72, 12.13) [0.9741, 0.577, 0.597]\n", + " PeriodicSite: Li (19.14, 16.92, 6.258) [0.9424, 0.8328, 0.3081]\n", + " PeriodicSite: Li (7.074, 18.34, 15.08) [0.3482, 0.903, 0.7426]\n", + " PeriodicSite: Li (16.72, 9.148, 3.604) [0.8231, 0.4504, 0.1774]\n", + " PeriodicSite: Li (12.33, 8.031, 10.63) [0.6069, 0.3954, 0.5233]\n", + " PeriodicSite: Li (13.4, 17.25, 20.1) [0.6598, 0.8493, 0.9896]\n", + " PeriodicSite: Li (12.5, 19.89, 10.82) [0.6156, 0.9793, 0.5329]\n", + " PeriodicSite: Li (4.596, 2.602, 19.8) [0.2263, 0.1281, 0.9747]\n", + " PeriodicSite: Li (3.864, 9.124, 12.96) [0.1902, 0.4492, 0.6383]\n", + " PeriodicSite: Li (3.884, 19.74, 2.764) [0.1912, 0.9718, 0.1361]\n", + " PeriodicSite: Li (0.771, 16.1, 13.25) [0.03795, 0.7928, 0.6523]\n", + " PeriodicSite: Li (13.79, 8.432, 5.108) [0.6789, 0.4151, 0.2515]\n", + " PeriodicSite: Li (13.45, 9.622, 13.08) [0.662, 0.4737, 0.6442]\n", + " PeriodicSite: Li (13.23, 18.36, 5.114) [0.6515, 0.9039, 0.2518]\n", + " PeriodicSite: Li (17.63, 4.406, 14.67) [0.8681, 0.2169, 0.7222]\n", + " PeriodicSite: Li (9.952, 2.745, 3.187) [0.4899, 0.1351, 0.1569]\n", + " PeriodicSite: Li (9.599, 1.492, 11.9) [0.4726, 0.07347, 0.586]\n", + " PeriodicSite: Li (7.021, 10.92, 4.188) [0.3457, 0.5375, 0.2062]\n", + " PeriodicSite: Li (6.548, 12.18, 15.31) [0.3224, 0.5997, 0.7537]\n", + " PeriodicSite: Li (18.09, 3.237, 4.726) [0.8904, 0.1594, 0.2327]\n", + " PeriodicSite: Li (12.95, 4.659, 10.02) [0.6374, 0.2294, 0.4934]\n", + " PeriodicSite: Li (19.34, 12.19, 3.949) [0.9521, 0.6001, 0.1944]\n", + " PeriodicSite: Li (16.95, 10.31, 12.91) [0.8346, 0.5076, 0.6357]\n", + " PeriodicSite: Li (6.621, 18.55, 5.807) [0.326, 0.913, 0.2859]\n", + " PeriodicSite: Li (8.99, 3.275, 14.42) [0.4426, 0.1612, 0.7098]\n", + " PeriodicSite: Li (6.716, 14.19, 19.31) [0.3307, 0.6987, 0.9504]\n", + " PeriodicSite: Li (9.739, 12.72, 13.29) [0.4795, 0.6264, 0.6544]\n", + " PeriodicSite: Li (14.29, 19.61, 3.147) [0.7035, 0.9653, 0.1549]\n", + " PeriodicSite: Li (18.41, 0.03845, 12.05) [0.9064, 0.001885, 0.5931]\n", + " PeriodicSite: Li (17.56, 14.45, 0.8734) [0.8643, 0.7115, 0.04301]\n", + " PeriodicSite: Li (16.92, 14.88, 12.08) [0.8332, 0.7324, 0.5949]\n", + " PeriodicSite: Li (8.004, 4.673, 5.792) [0.394, 0.2301, 0.2852]\n", + " PeriodicSite: Li (6.978, 0.2438, 12.89) [0.3435, 0.012, 0.6346]\n", + " PeriodicSite: Li (9.73, 13.02, 1.879) [0.479, 0.6411, 0.09251]\n", + " PeriodicSite: Li (5.694, 13.17, 11.55) [0.2803, 0.6485, 0.5686]\n", + " PeriodicSite: Li (19.94, 3.787, 2.331) [0.9817, 0.1864, 0.1148]\n", + " PeriodicSite: Li (0.2803, 6.941, 13.07) [0.0138, 0.3417, 0.6432]\n", + " PeriodicSite: Li (15.3, 13.11, 1.802) [0.7532, 0.6457, 0.08873]\n", + " PeriodicSite: Li (15.13, 12.37, 13.67) [0.7448, 0.6088, 0.6728]\n", + " PeriodicSite: Li (3.526, 0.05141, 7.236) [0.1736, 0.00253, 0.3562]\n", + " PeriodicSite: Li (6.756, 1.767, 14.86) [0.3326, 0.08701, 0.7313]\n", + " PeriodicSite: Li (5.09, 13.42, 1.776) [0.2506, 0.6605, 0.08745]\n", + " PeriodicSite: Li (8.289, 6.306, 15.88) [0.4081, 0.3105, 0.7818]\n", + " PeriodicSite: Li (16.44, 5.051, 1.887) [0.8096, 0.2487, 0.09288]\n", + " PeriodicSite: Li (14.94, 18.46, 14.04) [0.7357, 0.909, 0.6913]\n", + " PeriodicSite: Li (13.26, 13.89, 20.08) [0.653, 0.684, 0.9884]\n", + " PeriodicSite: Li (17.39, 12.5, 10.6) [0.8561, 0.6154, 0.522]\n", + " PeriodicSite: Li (7.305, 7.353, 20.11) [0.3596, 0.362, 0.9901]\n", + " PeriodicSite: Li (5.159, 2.846, 11.78) [0.254, 0.1401, 0.5802]\n", + " PeriodicSite: Li (7.46, 11.23, 0.5164) [0.3672, 0.553, 0.02543]\n", + " PeriodicSite: Li (8.313, 12.15, 10.17) [0.4093, 0.598, 0.5006]\n", + " PeriodicSite: Li (15.41, 2.529, 3.084) [0.7588, 0.1245, 0.1518]\n", + " PeriodicSite: Li (16.48, 3.353, 11.03) [0.8115, 0.1651, 0.5431]\n", + " PeriodicSite: Li (1.476, 11.63, 20.18) [0.07268, 0.5724, 0.9932]\n", + " PeriodicSite: Li (18.52, 13.09, 14.59) [0.912, 0.6445, 0.7182]\n", + " PeriodicSite: Li (8.36, 2.119, 0.3038) [0.4116, 0.1043, 0.01496]\n", + " PeriodicSite: Li (7.089, 3.437, 10.08) [0.349, 0.1692, 0.4964]\n", + " PeriodicSite: Li (8.113, 14.08, 4.582) [0.3994, 0.6932, 0.2256]\n", + " PeriodicSite: Li (3.404, 15.66, 12.3) [0.1676, 0.7711, 0.6053]\n", + " PeriodicSite: Li (17.27, 3.445, 20.17) [0.8502, 0.1696, 0.9931]\n", + " PeriodicSite: Li (2.534, 6.091, 14.75) [0.1248, 0.2999, 0.7263]\n", + " PeriodicSite: Li (5.061, 13.49, 8.261) [0.2491, 0.6643, 0.4067]\n", + " PeriodicSite: Li (14.78, 13.35, 9.741) [0.7275, 0.6573, 0.4796]\n", + " PeriodicSite: Li (16.18, 12.44, 4.666) [0.7968, 0.6123, 0.2297]\n", + " PeriodicSite: Li (5.636, 7.911, 15.58) [0.2775, 0.3895, 0.7671]\n", + " PeriodicSite: Li (6.804, 16.05, 11.58) [0.335, 0.7902, 0.57]\n", + " PeriodicSite: Li (2.136, 18.83, 0.3973) [0.1051, 0.9268, 0.01956]\n", + " PeriodicSite: Li (17.15, 9.66, 6.446) [0.8441, 0.4755, 0.3173]\n", + " PeriodicSite: Li (3.573, 4.655, 18.11) [0.1759, 0.2292, 0.8915]\n", + " PeriodicSite: Li (17.35, 19.94, 5.543) [0.8542, 0.9818, 0.2729]\n", + " PeriodicSite: Li (19.78, 18.54, 18.74) [0.9736, 0.9129, 0.9224]\n", + " PeriodicSite: Li (6.551, 10.8, 6.84) [0.3225, 0.5317, 0.3368]\n", + " PeriodicSite: Li (6.739, 4.766, 18.38) [0.3318, 0.2346, 0.905]\n", + " PeriodicSite: Li (7.903, 19.89, 8.28) [0.3891, 0.9794, 0.4076]\n", + " PeriodicSite: Li (8.255, 15.85, 17.03) [0.4064, 0.7802, 0.8382]\n", + " PeriodicSite: Li (18.55, 8.272, 10.37) [0.9132, 0.4073, 0.5106]\n", + " PeriodicSite: Li (17.86, 9.026, 19.3) [0.8792, 0.4444, 0.95]\n", + " PeriodicSite: Li (18.21, 0.085, 8.068) [0.8963, 0.004177, 0.3972]\n", + " PeriodicSite: Li (18.37, 15.6, 16.32) [0.9042, 0.7678, 0.8033]\n", + " PeriodicSite: Li (7.065, 6.444, 9.412) [0.3478, 0.3173, 0.4634]\n", + " PeriodicSite: Li (3.852, 2.215, 16.0) [0.1897, 0.109, 0.7879]\n", + " PeriodicSite: Li (9.762, 18.05, 9.7) [0.4806, 0.8888, 0.4776]\n", + " PeriodicSite: Li (16.52, 10.98, 16.33) [0.8131, 0.5404, 0.8042]\n", + " PeriodicSite: Li (19.58, 9.525, 8.063) [0.9642, 0.4689, 0.3969]\n", + " PeriodicSite: Li (17.25, 5.672, 18.81) [0.8492, 0.2792, 0.9261]\n", + " PeriodicSite: Li (16.1, 17.74, 9.615) [0.7925, 0.8736, 0.4734]\n", + " PeriodicSite: Li (16.17, 14.86, 18.39) [0.796, 0.7315, 0.9053]\n", + " PeriodicSite: Li (9.584, 9.569, 7.733) [0.4718, 0.4711, 0.3807]\n", + " PeriodicSite: Li (6.84, 4.722, 2.044) [0.3367, 0.2325, 0.1006]\n", + " PeriodicSite: Li (5.371, 17.11, 8.618) [0.2644, 0.8425, 0.4243]\n", + " PeriodicSite: Li (7.215, 14.91, 1.672) [0.3552, 0.7338, 0.0823]\n", + " PeriodicSite: Li (15.89, 7.413, 9.103) [0.7823, 0.3649, 0.4482]\n", + " PeriodicSite: Li (20.16, 7.155, 16.85) [0.9923, 0.3522, 0.8294]\n", + " PeriodicSite: Li (15.61, 18.13, 6.482) [0.7686, 0.8925, 0.3191]\n", + " PeriodicSite: Li (15.99, 18.85, 17.29) [0.7871, 0.9281, 0.8513]\n", + " PeriodicSite: Li (6.967, 5.195, 12.08) [0.343, 0.2558, 0.5947]\n", + " PeriodicSite: Li (5.0, 6.827, 18.64) [0.2462, 0.3361, 0.9179]\n", + " PeriodicSite: Li (9.415, 16.86, 6.637) [0.4635, 0.8302, 0.3268]\n", + " PeriodicSite: Li (12.38, 19.58, 0.971) [0.6092, 0.964, 0.04781]\n", + " PeriodicSite: Li (18.32, 6.466, 5.848) [0.902, 0.3183, 0.2879]\n", + " PeriodicSite: Li (14.57, 7.31, 0.911) [0.7174, 0.3599, 0.04485]\n", + " PeriodicSite: Li (18.83, 17.65, 9.864) [0.927, 0.8687, 0.4856]\n", + " PeriodicSite: Li (18.65, 0.9271, 2.012) [0.918, 0.04563, 0.09907]\n", + " PeriodicSite: Li (4.624, 10.34, 2.814) [0.2276, 0.5091, 0.1385]\n", + " PeriodicSite: Li (9.242, 8.597, 18.51) [0.455, 0.4233, 0.9113]\n", + " PeriodicSite: Li (7.165, 15.33, 8.579) [0.3527, 0.7545, 0.4224]\n", + " PeriodicSite: Li (6.769, 19.87, 17.17) [0.3333, 0.9783, 0.8451]\n", + " PeriodicSite: Li (0.1061, 6.798, 7.64) [0.005221, 0.3347, 0.3761]\n", + " PeriodicSite: Li (18.26, 11.56, 0.5975) [0.899, 0.569, 0.02942]\n", + " PeriodicSite: Li (2.791, 15.83, 0.3771) [0.1374, 0.7791, 0.01857]\n", + " PeriodicSite: Li (15.35, 1.951, 13.88) [0.7555, 0.09604, 0.6836]\n", + " PeriodicSite: Cl (7.56, 12.16, 12.62) [0.3722, 0.5988, 0.6214]\n", + " PeriodicSite: Cl (2.595, 12.44, 17.85) [0.1277, 0.6123, 0.8787]\n", + " PeriodicSite: Cl (12.89, 18.0, 12.83) [0.6348, 0.8862, 0.6319]\n", + " PeriodicSite: Cl (17.96, 7.758, 17.28) [0.884, 0.3819, 0.8506]\n", + " PeriodicSite: Cl (7.596, 2.36, 2.683) [0.374, 0.1162, 0.1321]\n", + " PeriodicSite: Cl (7.513, 8.414, 6.825) [0.3699, 0.4142, 0.336]\n", + " PeriodicSite: Cl (12.97, 13.36, 7.758) [0.6385, 0.6576, 0.3819]\n", + " PeriodicSite: Cl (2.785, 7.565, 2.368) [0.1371, 0.3724, 0.1166]\n", + " PeriodicSite: Cl (2.49, 7.171, 12.66) [0.1226, 0.353, 0.6235]\n", + " PeriodicSite: Cl (12.6, 12.88, 17.8) [0.6201, 0.6343, 0.8764]\n", + " PeriodicSite: Cl (17.68, 17.47, 17.97) [0.8702, 0.8601, 0.8847]\n", + " PeriodicSite: Cl (2.812, 2.202, 7.771) [0.1384, 0.1084, 0.3826]\n", + " PeriodicSite: Cl (12.83, 2.861, 17.94) [0.6318, 0.1409, 0.8833]\n", + " PeriodicSite: Cl (12.85, 8.006, 2.475) [0.6328, 0.3941, 0.1218]\n", + " PeriodicSite: Cl (17.59, 2.276, 12.96) [0.8661, 0.1121, 0.6379]\n", + " PeriodicSite: Cl (7.829, 17.95, 17.6) [0.3854, 0.8837, 0.8665]\n", + " PeriodicSite: Cl (0.2326, 19.92, 0.1573) [0.01144, 0.9806, 0.007745]\n", + " PeriodicSite: Cl (19.9, 19.85, 10.37) [0.9797, 0.977, 0.5105]\n", + " PeriodicSite: Cl (19.89, 10.25, 20.01) [0.9793, 0.5047, 0.9851]\n", + " PeriodicSite: Cl (20.23, 10.2, 10.36) [0.9961, 0.5022, 0.5101]\n", + " PeriodicSite: Cl (10.31, 0.3036, 20.08) [0.5074, 0.01494, 0.9886]\n", + " PeriodicSite: Cl (10.04, 0.02658, 9.741) [0.4941, 0.001305, 0.4795]\n", + " PeriodicSite: Cl (9.697, 9.885, 20.28) [0.4774, 0.4866, 0.9985]\n", + " PeriodicSite: Cl (10.28, 10.51, 10.09) [0.5063, 0.5174, 0.4968]\n", + " PeriodicSite: Cl (0.2458, 4.864, 4.901) [0.0121, 0.2395, 0.2413]\n", + " PeriodicSite: Cl (0.1801, 4.949, 14.9) [0.008871, 0.2436, 0.7336]\n", + " PeriodicSite: Cl (20.17, 15.07, 4.737) [0.9932, 0.7421, 0.2332]\n", + " PeriodicSite: Cl (20.11, 14.69, 15.42) [0.9901, 0.7232, 0.7593]\n", + " PeriodicSite: Cl (10.13, 5.226, 4.767) [0.4987, 0.2573, 0.2347]\n", + " PeriodicSite: Cl (10.37, 5.248, 15.43) [0.5103, 0.2584, 0.7597]\n", + " PeriodicSite: Cl (10.14, 15.39, 4.798) [0.4991, 0.7578, 0.2362]\n", + " PeriodicSite: Cl (10.09, 15.59, 15.39) [0.497, 0.7674, 0.7578]\n", + " PeriodicSite: S (4.898, 20.31, 5.258) [0.2411, 0.9999, 0.2589]\n", + " PeriodicSite: S (5.407, 20.23, 14.91) [0.2662, 0.9961, 0.734]\n", + " PeriodicSite: S (4.835, 10.29, 5.022) [0.238, 0.5065, 0.2472]\n", + " PeriodicSite: S (5.021, 10.22, 15.29) [0.2472, 0.5032, 0.753]\n", + " PeriodicSite: S (14.74, 0.2, 5.504) [0.7256, 0.009839, 0.271]\n", + " PeriodicSite: S (15.18, 0.1931, 15.48) [0.7474, 0.0095, 0.7621]\n", + " PeriodicSite: S (15.24, 10.24, 4.821) [0.7504, 0.5042, 0.2374]\n", + " PeriodicSite: S (14.97, 10.44, 14.88) [0.7369, 0.5139, 0.7324]\n", + " PeriodicSite: S (5.191, 5.05, 20.16) [0.2556, 0.2486, 0.9925]\n", + " PeriodicSite: S (5.196, 4.98, 10.44) [0.2558, 0.2452, 0.5141]\n", + " PeriodicSite: S (5.025, 15.42, 0.2371) [0.2474, 0.7589, 0.01167]\n", + " PeriodicSite: S (5.214, 15.04, 9.971) [0.2567, 0.7403, 0.4909]\n", + " PeriodicSite: S (15.18, 5.175, 0.06837) [0.7471, 0.2548, 0.003371]\n", + " PeriodicSite: S (15.38, 5.2, 10.29) [0.7571, 0.256, 0.5067]\n", + " PeriodicSite: S (15.22, 15.07, 0.4515) [0.7492, 0.7418, 0.02223]\n", + " PeriodicSite: S (15.46, 15.42, 10.23) [0.7611, 0.7593, 0.5037]\n", + " PeriodicSite: S (8.762, 4.495, 8.497) [0.4314, 0.2213, 0.4183]\n", + " PeriodicSite: S (9.061, 3.721, 19.18) [0.4461, 0.1832, 0.944]\n", + " PeriodicSite: S (9.324, 14.09, 9.054) [0.459, 0.6937, 0.4457]\n", + " PeriodicSite: S (9.164, 13.83, 19.23) [0.4511, 0.681, 0.9469]\n", + " PeriodicSite: S (19.61, 3.729, 8.371) [0.9657, 0.1836, 0.4121]\n", + " PeriodicSite: S (19.24, 4.341, 18.51) [0.9473, 0.2137, 0.9113]\n", + " PeriodicSite: S (19.09, 13.83, 9.254) [0.9397, 0.6807, 0.4556]\n", + " PeriodicSite: S (19.13, 14.0, 19.38) [0.9419, 0.6893, 0.9541]\n", + " PeriodicSite: S (3.529, 1.059, 0.983) [0.1738, 0.05215, 0.04839]\n", + " PeriodicSite: S (3.767, 1.042, 11.21) [0.1855, 0.0513, 0.5518]\n", + " PeriodicSite: S (3.758, 11.41, 1.139) [0.185, 0.5619, 0.05609]\n", + " PeriodicSite: S (3.86, 11.39, 11.45) [0.19, 0.5605, 0.5636]\n", + " PeriodicSite: S (14.27, 1.141, 1.37) [0.7023, 0.05615, 0.06744]\n", + " PeriodicSite: S (14.28, 1.068, 11.83) [0.703, 0.05255, 0.5826]\n", + " PeriodicSite: S (13.91, 11.54, 0.7719) [0.6848, 0.5679, 0.03801]\n", + " PeriodicSite: S (13.91, 11.35, 11.09) [0.6848, 0.5586, 0.5459]\n", + " PeriodicSite: S (6.117, 1.033, 8.829) [0.3012, 0.05084, 0.4347]\n", + " PeriodicSite: S (6.329, 0.8289, 19.42) [0.3116, 0.04081, 0.956]\n", + " PeriodicSite: S (6.466, 11.08, 9.012) [0.3183, 0.5457, 0.4437]\n", + " PeriodicSite: S (5.985, 11.66, 18.94) [0.2947, 0.574, 0.9323]\n", + " PeriodicSite: S (16.61, 1.276, 9.286) [0.8177, 0.06282, 0.4571]\n", + " PeriodicSite: S (16.72, 1.196, 19.45) [0.8229, 0.05889, 0.9577]\n", + " PeriodicSite: S (16.18, 11.21, 8.796) [0.7966, 0.5519, 0.433]\n", + " PeriodicSite: S (16.54, 11.16, 18.99) [0.8142, 0.5493, 0.9349]\n", + " PeriodicSite: S (1.345, 3.984, 0.676) [0.06622, 0.1962, 0.03328]\n", + " PeriodicSite: S (1.443, 3.385, 11.11) [0.07104, 0.1666, 0.5471]\n", + " PeriodicSite: S (1.375, 14.29, 1.03) [0.0677, 0.7036, 0.0507]\n", + " PeriodicSite: S (1.299, 13.95, 11.36) [0.06395, 0.6867, 0.5593]\n", + " PeriodicSite: S (11.25, 3.859, 1.572) [0.5539, 0.19, 0.07741]\n", + " PeriodicSite: S (10.74, 4.029, 11.3) [0.5287, 0.1983, 0.5563]\n", + " PeriodicSite: S (11.36, 14.64, 1.212) [0.5592, 0.721, 0.05968]\n", + " PeriodicSite: S (11.27, 14.02, 11.71) [0.5547, 0.6904, 0.5767]\n", + " PeriodicSite: S (2.723, 2.374, 17.92) [0.1341, 0.1169, 0.882]\n", + " PeriodicSite: S (2.662, 12.67, 7.873) [0.1311, 0.624, 0.3876]\n", + " PeriodicSite: S (12.84, 2.724, 7.676) [0.6321, 0.1341, 0.3779]\n", + " PeriodicSite: S (8.749, 9.107, 3.519) [0.4307, 0.4484, 0.1732]\n", + " PeriodicSite: S (8.836, 8.736, 14.14) [0.435, 0.4301, 0.6959]\n", + " PeriodicSite: S (8.586, 19.06, 4.356) [0.4227, 0.9384, 0.2145]\n", + " PeriodicSite: S (9.008, 19.55, 13.86) [0.4434, 0.9624, 0.6821]\n", + " PeriodicSite: S (18.81, 8.532, 4.447) [0.926, 0.4201, 0.2189]\n", + " PeriodicSite: S (19.06, 8.987, 13.57) [0.9386, 0.4424, 0.6682]\n", + " PeriodicSite: S (19.17, 19.42, 3.823) [0.9439, 0.9559, 0.1882]\n", + " PeriodicSite: S (19.17, 18.97, 14.0) [0.9439, 0.9339, 0.6893]\n", + " PeriodicSite: S (3.828, 6.222, 6.198) [0.1885, 0.3063, 0.3051]\n", + " PeriodicSite: S (4.057, 6.096, 16.3) [0.1997, 0.3001, 0.8026]\n", + " PeriodicSite: S (4.224, 16.65, 6.375) [0.2079, 0.8197, 0.3138]\n", + " PeriodicSite: S (4.002, 16.34, 16.65) [0.197, 0.8046, 0.8199]\n", + " PeriodicSite: S (13.86, 6.419, 6.342) [0.6822, 0.316, 0.3122]\n", + " PeriodicSite: S (13.47, 6.457, 16.22) [0.6631, 0.3179, 0.7987]\n", + " PeriodicSite: S (13.77, 16.55, 6.465) [0.678, 0.8148, 0.3183]\n", + " PeriodicSite: S (14.57, 16.31, 16.84) [0.7175, 0.8028, 0.8293]\n", + " PeriodicSite: S (6.733, 6.083, 4.333) [0.3315, 0.2995, 0.2133]\n", + " PeriodicSite: S (6.567, 6.165, 14.09) [0.3233, 0.3035, 0.6939]\n", + " PeriodicSite: S (6.452, 16.38, 4.021) [0.3176, 0.8066, 0.198]\n", + " PeriodicSite: S (6.328, 16.33, 14.07) [0.3115, 0.8037, 0.6925]\n", + " PeriodicSite: S (16.54, 6.117, 4.091) [0.8143, 0.3012, 0.2014]\n", + " PeriodicSite: S (16.03, 6.258, 13.78) [0.789, 0.3081, 0.6784]\n", + " PeriodicSite: S (16.2, 16.56, 4.337) [0.7977, 0.8155, 0.2135]\n", + " PeriodicSite: S (16.39, 16.36, 14.08) [0.8068, 0.8054, 0.6934]\n", + " PeriodicSite: S (1.201, 8.66, 6.522) [0.05912, 0.4264, 0.3211]\n", + " PeriodicSite: S (1.314, 8.654, 15.68) [0.06468, 0.4261, 0.7722]\n", + " PeriodicSite: S (1.284, 19.24, 6.215) [0.06322, 0.9473, 0.306]\n", + " PeriodicSite: S (1.191, 19.23, 16.55) [0.05861, 0.9465, 0.8149]\n", + " PeriodicSite: S (11.36, 8.997, 5.84) [0.5591, 0.4429, 0.2875]\n", + " PeriodicSite: S (10.88, 9.039, 16.71) [0.5354, 0.445, 0.8226]\n", + " PeriodicSite: S (11.19, 19.07, 6.587) [0.5509, 0.9388, 0.3243]\n", + " PeriodicSite: S (11.42, 19.39, 16.09) [0.5623, 0.9547, 0.7921]\n", + " PeriodicSite: S (2.466, 17.71, 2.707) [0.1214, 0.8718, 0.1333]\n", + " PeriodicSite: S (2.54, 17.8, 12.98) [0.1251, 0.8762, 0.6391]\n", + " PeriodicSite: S (12.44, 7.465, 13.03) [0.6126, 0.3675, 0.6413]\n", + " PeriodicSite: S (12.92, 17.95, 2.41) [0.636, 0.8836, 0.1187]\n", + " PeriodicSite: S (4.17, 4.007, 3.744) [0.2053, 0.1973, 0.1843]\n", + " PeriodicSite: S (3.895, 3.847, 14.05) [0.1918, 0.1894, 0.6919]\n", + " PeriodicSite: S (3.914, 14.31, 4.048) [0.1927, 0.7045, 0.1993]\n", + " PeriodicSite: S (4.124, 14.11, 13.94) [0.203, 0.6947, 0.6861]\n", + " PeriodicSite: S (13.86, 4.248, 3.941) [0.6826, 0.2091, 0.194]\n", + " PeriodicSite: S (13.67, 3.737, 14.25) [0.6731, 0.184, 0.7013]\n", + " PeriodicSite: S (13.87, 14.01, 3.944) [0.683, 0.6898, 0.1942]\n", + " PeriodicSite: S (13.63, 14.23, 14.28) [0.6713, 0.7007, 0.7032]\n", + " PeriodicSite: S (8.88, 1.085, 6.644) [0.4372, 0.05339, 0.3271]\n", + " PeriodicSite: S (8.902, 1.149, 16.54) [0.4382, 0.05656, 0.8143]\n", + " PeriodicSite: S (9.076, 11.47, 6.007) [0.4468, 0.5648, 0.2957]\n", + " PeriodicSite: S (8.528, 11.24, 16.52) [0.4198, 0.5533, 0.8134]\n", + " PeriodicSite: S (19.19, 1.455, 6.23) [0.9447, 0.07162, 0.3067]\n", + " PeriodicSite: S (19.3, 1.362, 16.38) [0.9499, 0.06704, 0.8064]\n", + " PeriodicSite: S (19.09, 11.25, 6.289) [0.9396, 0.5537, 0.3096]\n", + " PeriodicSite: S (19.28, 11.01, 16.2) [0.9493, 0.5421, 0.7973]\n", + " PeriodicSite: S (1.052, 1.436, 3.792) [0.0518, 0.07071, 0.1867]\n", + " PeriodicSite: S (1.456, 1.089, 13.95) [0.07169, 0.05359, 0.6869]\n", + " PeriodicSite: S (1.094, 10.78, 3.876) [0.05386, 0.5309, 0.1908]\n", + " PeriodicSite: S (1.229, 11.3, 13.65) [0.06052, 0.5564, 0.6718]\n", + " PeriodicSite: S (10.96, 0.5832, 3.656) [0.5394, 0.02871, 0.18]\n", + " PeriodicSite: S (11.17, 1.803, 14.1) [0.55, 0.08878, 0.6943]\n", + " PeriodicSite: S (11.2, 11.46, 3.439) [0.5511, 0.5642, 0.1693]\n", + " PeriodicSite: S (11.13, 11.26, 14.19) [0.5479, 0.5541, 0.6985]\n", + " PeriodicSite: S (5.903, 3.814, 6.675) [0.2906, 0.1878, 0.3286]\n", + " PeriodicSite: S (6.437, 3.806, 16.27) [0.3169, 0.1874, 0.8012]\n", + " PeriodicSite: S (6.293, 14.0, 6.34) [0.3098, 0.6895, 0.3121]\n", + " PeriodicSite: S (6.318, 14.22, 16.5) [0.3111, 0.7003, 0.8123]\n", + " PeriodicSite: S (16.33, 3.997, 6.451) [0.804, 0.1968, 0.3176]\n", + " PeriodicSite: S (16.11, 4.242, 16.39) [0.7929, 0.2088, 0.8067]\n", + " PeriodicSite: S (16.3, 14.03, 6.219) [0.8024, 0.6908, 0.3062]\n", + " PeriodicSite: S (16.45, 13.74, 16.2) [0.8097, 0.6763, 0.7977]\n", + " PeriodicSite: S (7.542, 2.779, 12.64) [0.3713, 0.1368, 0.6223]\n", + " PeriodicSite: S (7.427, 12.65, 2.437) [0.3656, 0.6227, 0.12]\n", + " PeriodicSite: S (17.76, 3.072, 2.353) [0.8744, 0.1512, 0.1158]\n", + " PeriodicSite: S (17.41, 12.83, 2.702) [0.857, 0.6315, 0.133]\n", + " PeriodicSite: S (17.56, 12.58, 12.73) [0.8645, 0.6195, 0.6266]\n", + " PeriodicSite: S (3.706, 9.101, 8.889) [0.1824, 0.448, 0.4376]\n", + " PeriodicSite: S (3.592, 9.166, 18.85) [0.1768, 0.4513, 0.9282]\n", + " PeriodicSite: S (3.678, 18.87, 9.083) [0.1811, 0.9289, 0.4472]\n", + " PeriodicSite: S (4.089, 18.82, 19.31) [0.2013, 0.9263, 0.9507]\n", + " PeriodicSite: S (13.82, 8.763, 8.902) [0.6806, 0.4314, 0.4382]\n", + " PeriodicSite: S (14.03, 8.833, 18.94) [0.6905, 0.4348, 0.9327]\n", + " PeriodicSite: S (14.15, 19.21, 9.309) [0.6968, 0.9455, 0.4583]\n", + " PeriodicSite: S (14.14, 19.49, 19.16) [0.6963, 0.9594, 0.9432]\n", + " PeriodicSite: S (8.659, 5.924, 1.313) [0.4263, 0.2917, 0.06462]\n", + " PeriodicSite: S (9.034, 6.804, 11.08) [0.4448, 0.335, 0.5454]\n", + " PeriodicSite: S (8.67, 16.73, 0.4974) [0.4268, 0.8235, 0.02449]\n", + " PeriodicSite: S (9.053, 16.58, 11.63) [0.4457, 0.8164, 0.5727]\n", + " PeriodicSite: S (19.32, 6.422, 0.7372) [0.951, 0.3161, 0.0363]\n", + " PeriodicSite: S (19.27, 5.611, 11.11) [0.9487, 0.2762, 0.547]\n", + " PeriodicSite: S (19.0, 16.53, 1.467) [0.9356, 0.8138, 0.07223]\n", + " PeriodicSite: S (18.97, 16.19, 11.59) [0.9337, 0.7971, 0.5708]\n", + " PeriodicSite: S (1.759, 5.908, 9.047) [0.08658, 0.2908, 0.4454]\n", + " PeriodicSite: S (1.507, 6.514, 18.98) [0.07419, 0.3207, 0.9342]\n", + " PeriodicSite: S (0.81, 16.4, 9.316) [0.03987, 0.8072, 0.4586]\n", + " PeriodicSite: S (0.9128, 16.48, 19.09) [0.04494, 0.8113, 0.9397]\n", + " PeriodicSite: S (11.57, 6.234, 8.846) [0.5695, 0.3069, 0.4355]\n", + " PeriodicSite: S (11.17, 6.273, 19.34) [0.5498, 0.3088, 0.9522]\n", + " PeriodicSite: S (11.61, 16.61, 9.582) [0.5714, 0.8178, 0.4717]\n", + " PeriodicSite: S (11.2, 16.69, 18.87) [0.5512, 0.8217, 0.929]\n", + " PeriodicSite: S (6.267, 9.35, 1.044) [0.3085, 0.4603, 0.05141]\n", + " PeriodicSite: S (5.871, 8.506, 11.38) [0.289, 0.4187, 0.5601]\n", + " PeriodicSite: S (5.852, 19.1, 1.785) [0.2881, 0.9405, 0.08788]\n", + " PeriodicSite: S (6.124, 18.83, 11.32) [0.3015, 0.9272, 0.5572]\n", + " PeriodicSite: S (16.35, 8.979, 1.09) [0.8051, 0.442, 0.05368]\n", + " PeriodicSite: S (16.09, 8.759, 11.23) [0.7923, 0.4312, 0.553]\n", + " PeriodicSite: S (16.45, 18.98, 1.373) [0.81, 0.9342, 0.06762]\n", + " PeriodicSite: S (16.36, 18.95, 11.75) [0.8056, 0.933, 0.5784]\n", + " PeriodicSite: S (7.119, 7.526, 17.63) [0.3505, 0.3705, 0.8681]\n", + " PeriodicSite: S (7.776, 17.58, 7.918) [0.3828, 0.8657, 0.3898]\n", + " PeriodicSite: S (18.06, 7.712, 7.992) [0.8892, 0.3797, 0.3934]\n", + " PeriodicSite: S (17.49, 18.18, 7.763) [0.861, 0.895, 0.3822]\n", + " PeriodicSite: P (5.022, 20.08, 0.2423) [0.2472, 0.9884, 0.01193]\n", + " PeriodicSite: P (4.99, 20.07, 10.18) [0.2457, 0.9883, 0.501]\n", + " PeriodicSite: P (4.787, 10.29, 20.12) [0.2357, 0.5064, 0.9904]\n", + " PeriodicSite: P (4.956, 10.06, 10.32) [0.244, 0.4955, 0.5079]\n", + " PeriodicSite: P (15.54, 0.003335, 0.2207) [0.7651, 0.0001571, 0.01087]\n", + " PeriodicSite: P (15.42, 20.27, 10.49) [0.7592, 0.998, 0.5163]\n", + " PeriodicSite: P (15.18, 10.09, 20.11) [0.7472, 0.4966, 0.9899]\n", + " PeriodicSite: P (14.96, 9.992, 10.03) [0.7367, 0.4919, 0.4939]\n", + " PeriodicSite: P (5.192, 4.958, 5.159) [0.2556, 0.2441, 0.254]\n", + " PeriodicSite: P (5.262, 4.974, 15.09) [0.259, 0.2449, 0.7428]\n", + " PeriodicSite: P (5.223, 15.32, 5.223) [0.2571, 0.7541, 0.2571]\n", + " PeriodicSite: P (5.075, 15.34, 15.28) [0.2499, 0.7552, 0.7523]\n", + " PeriodicSite: P (15.12, 5.242, 5.208) [0.7441, 0.2581, 0.2564]\n", + " PeriodicSite: P (14.76, 5.28, 15.04) [0.7267, 0.2599, 0.7406]\n", + " PeriodicSite: P (14.83, 15.26, 5.211) [0.7303, 0.7511, 0.2565]\n", + " PeriodicSite: P (15.31, 15.19, 15.27) [0.7535, 0.7478, 0.7516]\n", + " PeriodicSite: P (0.09432, 0.1431, 5.053) [0.004645, 0.007047, 0.2488]\n", + " PeriodicSite: P (0.03855, 0.06535, 15.18) [0.001902, 0.003218, 0.7472]\n", + " PeriodicSite: P (20.15, 9.839, 5.169) [0.9918, 0.4844, 0.2545]\n", + " PeriodicSite: P (0.09874, 10.02, 14.81) [0.00486, 0.4931, 0.7293]\n", + " PeriodicSite: P (9.859, 20.21, 5.309) [0.4854, 0.9949, 0.2614]\n", + " PeriodicSite: P (10.2, 0.3593, 15.14) [0.5024, 0.01768, 0.7453]\n", + " PeriodicSite: P (10.21, 10.21, 4.703) [0.5025, 0.5024, 0.2315]\n", + " PeriodicSite: P (9.868, 10.14, 15.36) [0.4858, 0.4991, 0.7562]\n", + " PeriodicSite: P (0.1977, 5.329, 19.88) [0.009734, 0.2623, 0.9789]\n", + " PeriodicSite: P (0.3567, 4.583, 9.965) [0.01756, 0.2256, 0.4906]\n", + " PeriodicSite: P (20.19, 15.44, 0.1385) [0.9938, 0.76, 0.006825]\n", + " PeriodicSite: P (20.21, 14.99, 10.42) [0.9952, 0.7381, 0.5132]\n", + " PeriodicSite: P (10.12, 4.928, 0.161) [0.4984, 0.2426, 0.007931]\n", + " PeriodicSite: P (9.992, 5.37, 9.959) [0.4919, 0.2644, 0.4903]\n", + " PeriodicSite: P (10.12, 15.47, 20.04) [0.4983, 0.7616, 0.9865]\n", + " PeriodicSite: P (10.24, 15.28, 10.51) [0.5043, 0.7524, 0.5173],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.161, 5.69, 4.154) [0.1064, 0.2801, 0.2045]\n", + " PeriodicSite: Li (0.004483, 3.232, 13.16) [0.0002228, 0.1591, 0.6478]\n", + " PeriodicSite: Li (0.2987, 12.99, 7.498) [0.0147, 0.6397, 0.3691]\n", + " PeriodicSite: Li (20.3, 12.98, 17.11) [0.9993, 0.639, 0.8422]\n", + " PeriodicSite: Li (15.24, 0.8198, 7.448) [0.7505, 0.04035, 0.3667]\n", + " PeriodicSite: Li (11.89, 3.792, 15.9) [0.5851, 0.1867, 0.7826]\n", + " PeriodicSite: Li (13.72, 10.34, 3.184) [0.6757, 0.5093, 0.1567]\n", + " PeriodicSite: Li (16.82, 8.289, 15.62) [0.8283, 0.4081, 0.7692]\n", + " PeriodicSite: Li (3.774, 4.418, 8.076) [0.1858, 0.2175, 0.3976]\n", + " PeriodicSite: Li (1.528, 2.149, 20.08) [0.07524, 0.1058, 0.9886]\n", + " PeriodicSite: Li (2.498, 9.098, 4.125) [0.123, 0.4479, 0.2031]\n", + " PeriodicSite: Li (6.984, 9.92, 17.55) [0.3438, 0.4884, 0.8642]\n", + " PeriodicSite: Li (12.15, 4.394, 6.546) [0.5983, 0.2163, 0.3223]\n", + " PeriodicSite: Li (13.25, 20.22, 17.57) [0.6521, 0.9953, 0.865]\n", + " PeriodicSite: Li (10.25, 8.918, 12.29) [0.5046, 0.439, 0.6049]\n", + " PeriodicSite: Li (9.519, 18.35, 18.71) [0.4686, 0.9036, 0.9212]\n", + " PeriodicSite: Li (6.593, 1.14, 6.027) [0.3246, 0.0561, 0.2967]\n", + " PeriodicSite: Li (4.694, 18.49, 13.2) [0.2311, 0.9104, 0.6501]\n", + " PeriodicSite: Li (3.228, 10.32, 7.006) [0.1589, 0.5079, 0.3449]\n", + " PeriodicSite: Li (6.859, 10.17, 13.15) [0.3377, 0.5005, 0.6472]\n", + " PeriodicSite: Li (12.97, 20.16, 7.19) [0.6387, 0.9927, 0.354]\n", + " PeriodicSite: Li (10.42, 1.919, 18.66) [0.5128, 0.09449, 0.9186]\n", + " PeriodicSite: Li (13.43, 15.37, 8.672) [0.661, 0.7569, 0.4269]\n", + " PeriodicSite: Li (12.16, 9.432, 20.02) [0.5986, 0.4643, 0.9858]\n", + " PeriodicSite: Li (0.2134, 3.402, 6.545) [0.0105, 0.1675, 0.3222]\n", + " PeriodicSite: Li (0.1879, 3.064, 17.36) [0.009252, 0.1509, 0.8547]\n", + " PeriodicSite: Li (2.719, 15.11, 7.976) [0.1339, 0.744, 0.3926]\n", + " PeriodicSite: Li (3.805, 14.47, 18.07) [0.1873, 0.7122, 0.8898]\n", + " PeriodicSite: Li (13.55, 1.786, 5.408) [0.667, 0.08794, 0.2663]\n", + " PeriodicSite: Li (14.89, 2.013, 16.81) [0.7329, 0.09911, 0.8278]\n", + " PeriodicSite: Li (11.38, 12.47, 9.811) [0.56, 0.6138, 0.483]\n", + " PeriodicSite: Li (16.74, 16.95, 20.27) [0.8243, 0.8346, 0.998]\n", + " PeriodicSite: Li (6.913, 19.91, 3.571) [0.3403, 0.9801, 0.1758]\n", + " PeriodicSite: Li (20.3, 17.88, 2.002) [0.9995, 0.88, 0.09857]\n", + " PeriodicSite: Li (2.934, 13.43, 10.32) [0.1445, 0.661, 0.5082]\n", + " PeriodicSite: Li (1.955, 16.44, 15.68) [0.09624, 0.8093, 0.7722]\n", + " PeriodicSite: Li (15.02, 3.483, 8.223) [0.7393, 0.1714, 0.4048]\n", + " PeriodicSite: Li (13.66, 6.144, 18.9) [0.6727, 0.3025, 0.9304]\n", + " PeriodicSite: Li (17.56, 15.52, 8.176) [0.8643, 0.764, 0.4025]\n", + " PeriodicSite: Li (10.42, 12.97, 17.72) [0.5128, 0.6384, 0.8725]\n", + " PeriodicSite: Li (4.024, 2.271, 5.271) [0.1981, 0.1118, 0.2595]\n", + " PeriodicSite: Li (2.779, 0.4024, 17.82) [0.1368, 0.01981, 0.8775]\n", + " PeriodicSite: Li (4.177, 12.44, 5.359) [0.2056, 0.6125, 0.2638]\n", + " PeriodicSite: Li (18.27, 15.31, 3.305) [0.8993, 0.7539, 0.1627]\n", + " PeriodicSite: Li (10.89, 1.568, 8.53) [0.5361, 0.07719, 0.4199]\n", + " PeriodicSite: Li (17.21, 0.1866, 15.24) [0.847, 0.009178, 0.7501]\n", + " PeriodicSite: Li (14.26, 12.03, 6.689) [0.7018, 0.5921, 0.3293]\n", + " PeriodicSite: Li (13.79, 8.938, 16.65) [0.6787, 0.44, 0.8199]\n", + " PeriodicSite: Li (3.001, 12.02, 15.09) [0.1478, 0.5915, 0.7429]\n", + " PeriodicSite: Li (1.908, 10.83, 9.373) [0.09394, 0.5334, 0.4615]\n", + " PeriodicSite: Li (1.47, 15.73, 3.318) [0.07234, 0.7745, 0.1633]\n", + " PeriodicSite: Li (1.84, 1.759, 9.533) [0.0906, 0.08658, 0.4693]\n", + " PeriodicSite: Li (12.08, 5.281, 3.48) [0.5947, 0.26, 0.1713]\n", + " PeriodicSite: Li (11.68, 7.478, 14.82) [0.5749, 0.3682, 0.7297]\n", + " PeriodicSite: Li (11.86, 13.29, 5.714) [0.5837, 0.6542, 0.2813]\n", + " PeriodicSite: Li (12.87, 0.06349, 14.12) [0.6337, 0.003121, 0.6953]\n", + " PeriodicSite: Li (3.251, 5.264, 1.307) [0.1601, 0.2591, 0.06434]\n", + " PeriodicSite: Li (3.128, 4.846, 11.47) [0.154, 0.2386, 0.5649]\n", + " PeriodicSite: Li (6.473, 17.09, 19.82) [0.3186, 0.8415, 0.9758]\n", + " PeriodicSite: Li (2.918, 19.38, 15.0) [0.1436, 0.9539, 0.7387]\n", + " PeriodicSite: Li (14.0, 3.253, 0.08979) [0.6893, 0.1602, 0.004424]\n", + " PeriodicSite: Li (11.78, 5.217, 12.66) [0.5797, 0.2568, 0.6232]\n", + " PeriodicSite: Li (11.91, 15.51, 3.531) [0.5863, 0.7636, 0.1738]\n", + " PeriodicSite: Li (10.68, 17.66, 14.32) [0.5259, 0.8695, 0.705]\n", + " PeriodicSite: Li (3.68, 10.23, 17.01) [0.1812, 0.5035, 0.8373]\n", + " PeriodicSite: Li (4.153, 7.305, 10.52) [0.2045, 0.3596, 0.5178]\n", + " PeriodicSite: Li (4.611, 16.46, 2.251) [0.227, 0.8102, 0.1108]\n", + " PeriodicSite: Li (2.322, 17.59, 10.79) [0.1143, 0.8659, 0.5311]\n", + " PeriodicSite: Li (10.17, 8.542, 1.744) [0.5006, 0.4205, 0.08588]\n", + " PeriodicSite: Li (14.63, 6.857, 11.53) [0.7201, 0.3376, 0.5676]\n", + " PeriodicSite: Li (10.33, 17.63, 2.634) [0.5084, 0.868, 0.1297]\n", + " PeriodicSite: Li (13.56, 15.5, 11.95) [0.6677, 0.7632, 0.5884]\n", + " PeriodicSite: Li (1.744, 7.959, 0.7744) [0.08584, 0.3918, 0.03813]\n", + " PeriodicSite: Li (17.71, 5.325, 9.475) [0.8719, 0.2621, 0.4665]\n", + " PeriodicSite: Li (2.978, 18.2, 4.834) [0.1466, 0.8959, 0.238]\n", + " PeriodicSite: Li (1.157, 19.59, 12.73) [0.05695, 0.9645, 0.6268]\n", + " PeriodicSite: Li (9.093, 7.385, 5.173) [0.4476, 0.3636, 0.2547]\n", + " PeriodicSite: Li (13.1, 12.08, 15.37) [0.6449, 0.5947, 0.7568]\n", + " PeriodicSite: Li (14.47, 16.07, 2.304) [0.7125, 0.7914, 0.1135]\n", + " PeriodicSite: Li (12.39, 15.36, 16.64) [0.6101, 0.7562, 0.8194]\n", + " PeriodicSite: Li (5.544, 7.95, 5.509) [0.273, 0.3914, 0.2712]\n", + " PeriodicSite: Li (20.24, 12.04, 11.86) [0.9963, 0.5926, 0.5839]\n", + " PeriodicSite: Li (19.13, 17.36, 6.151) [0.9418, 0.8547, 0.3028]\n", + " PeriodicSite: Li (6.5, 18.41, 15.3) [0.32, 0.9064, 0.7534]\n", + " PeriodicSite: Li (16.95, 9.872, 3.735) [0.8344, 0.486, 0.1839]\n", + " PeriodicSite: Li (12.2, 8.371, 9.792) [0.6007, 0.4121, 0.4821]\n", + " PeriodicSite: Li (12.88, 17.15, 20.3) [0.6343, 0.8443, 0.9994]\n", + " PeriodicSite: Li (11.99, 18.91, 11.03) [0.5904, 0.9309, 0.5431]\n", + " PeriodicSite: Li (4.9, 2.689, 19.25) [0.2412, 0.1324, 0.9479]\n", + " PeriodicSite: Li (3.126, 9.396, 13.36) [0.1539, 0.4626, 0.6575]\n", + " PeriodicSite: Li (3.809, 19.67, 3.082) [0.1875, 0.9682, 0.1517]\n", + " PeriodicSite: Li (0.1072, 16.79, 13.31) [0.005272, 0.8267, 0.6551]\n", + " PeriodicSite: Li (13.79, 8.307, 5.278) [0.679, 0.4089, 0.2598]\n", + " PeriodicSite: Li (13.24, 9.656, 13.14) [0.652, 0.4754, 0.6471]\n", + " PeriodicSite: Li (12.8, 19.02, 4.619) [0.63, 0.9365, 0.2274]\n", + " PeriodicSite: Li (17.95, 4.697, 14.71) [0.8837, 0.2312, 0.724]\n", + " PeriodicSite: Li (9.68, 3.352, 2.951) [0.4766, 0.165, 0.1453]\n", + " PeriodicSite: Li (9.587, 1.86, 11.69) [0.472, 0.09157, 0.5757]\n", + " PeriodicSite: Li (7.315, 11.34, 4.196) [0.3601, 0.5584, 0.2066]\n", + " PeriodicSite: Li (6.285, 12.4, 14.96) [0.3094, 0.6106, 0.7363]\n", + " PeriodicSite: Li (18.15, 4.52, 4.237) [0.8937, 0.2225, 0.2086]\n", + " PeriodicSite: Li (12.89, 4.268, 9.25) [0.6347, 0.2101, 0.4554]\n", + " PeriodicSite: Li (19.6, 12.89, 3.976) [0.9648, 0.6343, 0.1958]\n", + " PeriodicSite: Li (17.31, 10.32, 13.26) [0.8523, 0.508, 0.6527]\n", + " PeriodicSite: Li (6.59, 17.99, 6.019) [0.3244, 0.8859, 0.2963]\n", + " PeriodicSite: Li (8.772, 3.206, 14.45) [0.4319, 0.1578, 0.7113]\n", + " PeriodicSite: Li (6.609, 14.29, 19.05) [0.3254, 0.7033, 0.938]\n", + " PeriodicSite: Li (10.24, 14.18, 13.57) [0.5042, 0.6979, 0.668]\n", + " PeriodicSite: Li (14.71, 18.78, 2.99) [0.7241, 0.9244, 0.1472]\n", + " PeriodicSite: Li (18.56, 0.4145, 12.17) [0.9138, 0.0204, 0.5991]\n", + " PeriodicSite: Li (17.4, 14.5, 0.8831) [0.8564, 0.7138, 0.04348]\n", + " PeriodicSite: Li (16.74, 14.85, 12.03) [0.824, 0.7312, 0.5924]\n", + " PeriodicSite: Li (7.86, 4.934, 6.447) [0.387, 0.2429, 0.3174]\n", + " PeriodicSite: Li (6.994, 0.08608, 12.97) [0.3443, 0.004235, 0.6387]\n", + " PeriodicSite: Li (9.839, 13.05, 2.5) [0.4844, 0.6427, 0.1231]\n", + " PeriodicSite: Li (5.518, 13.35, 12.01) [0.2716, 0.6574, 0.5911]\n", + " PeriodicSite: Li (20.02, 2.962, 2.779) [0.9857, 0.1458, 0.1368]\n", + " PeriodicSite: Li (0.3068, 6.934, 13.25) [0.0151, 0.3414, 0.6525]\n", + " PeriodicSite: Li (15.35, 13.33, 1.662) [0.7555, 0.6561, 0.08185]\n", + " PeriodicSite: Li (15.39, 12.12, 13.42) [0.7579, 0.5967, 0.6606]\n", + " PeriodicSite: Li (3.983, 0.2808, 7.037) [0.1961, 0.01382, 0.3464]\n", + " PeriodicSite: Li (6.632, 1.965, 14.9) [0.3265, 0.09672, 0.7334]\n", + " PeriodicSite: Li (5.216, 12.96, 1.841) [0.2568, 0.6383, 0.09066]\n", + " PeriodicSite: Li (8.243, 6.98, 15.64) [0.4058, 0.3437, 0.7702]\n", + " PeriodicSite: Li (16.91, 5.267, 1.552) [0.8326, 0.2593, 0.07643]\n", + " PeriodicSite: Li (14.81, 18.51, 14.05) [0.7292, 0.9112, 0.6915]\n", + " PeriodicSite: Li (13.15, 13.51, 20.1) [0.6473, 0.6651, 0.9894]\n", + " PeriodicSite: Li (17.67, 12.47, 10.23) [0.8699, 0.614, 0.5034]\n", + " PeriodicSite: Li (7.016, 6.903, 20.21) [0.3454, 0.3399, 0.9948]\n", + " PeriodicSite: Li (5.294, 2.79, 11.84) [0.2606, 0.1374, 0.5828]\n", + " PeriodicSite: Li (7.929, 11.06, 0.4485) [0.3904, 0.5447, 0.02208]\n", + " PeriodicSite: Li (8.827, 11.82, 10.63) [0.4346, 0.582, 0.5235]\n", + " PeriodicSite: Li (15.74, 2.166, 3.402) [0.7748, 0.1066, 0.1675]\n", + " PeriodicSite: Li (15.12, 3.127, 11.01) [0.7446, 0.1539, 0.542]\n", + " PeriodicSite: Li (1.287, 12.15, 20.14) [0.06338, 0.5984, 0.9916]\n", + " PeriodicSite: Li (18.73, 13.21, 14.51) [0.9221, 0.6505, 0.7145]\n", + " PeriodicSite: Li (8.145, 0.9116, 0.7302) [0.401, 0.04488, 0.03595]\n", + " PeriodicSite: Li (6.981, 2.999, 9.722) [0.3437, 0.1476, 0.4786]\n", + " PeriodicSite: Li (8.013, 14.46, 4.546) [0.3945, 0.7117, 0.2238]\n", + " PeriodicSite: Li (3.71, 15.44, 12.41) [0.1826, 0.76, 0.6112]\n", + " PeriodicSite: Li (17.39, 3.317, 20.19) [0.856, 0.1633, 0.9941]\n", + " PeriodicSite: Li (2.632, 6.17, 14.52) [0.1296, 0.3037, 0.7148]\n", + " PeriodicSite: Li (4.8, 13.27, 8.382) [0.2363, 0.6533, 0.4127]\n", + " PeriodicSite: Li (14.85, 12.93, 9.342) [0.7312, 0.6365, 0.4599]\n", + " PeriodicSite: Li (16.38, 12.48, 4.721) [0.8065, 0.6142, 0.2324]\n", + " PeriodicSite: Li (5.651, 8.143, 15.79) [0.2782, 0.4009, 0.7772]\n", + " PeriodicSite: Li (6.808, 16.58, 10.56) [0.3351, 0.8161, 0.5199]\n", + " PeriodicSite: Li (2.374, 19.3, 0.5912) [0.1169, 0.9501, 0.02911]\n", + " PeriodicSite: Li (16.46, 9.847, 7.074) [0.8103, 0.4848, 0.3482]\n", + " PeriodicSite: Li (3.461, 4.796, 18.31) [0.1704, 0.2361, 0.9013]\n", + " PeriodicSite: Li (17.33, 0.6125, 4.803) [0.8534, 0.03015, 0.2365]\n", + " PeriodicSite: Li (19.67, 18.63, 18.58) [0.9685, 0.9174, 0.9146]\n", + " PeriodicSite: Li (6.456, 10.11, 7.34) [0.3178, 0.4975, 0.3614]\n", + " PeriodicSite: Li (7.4, 4.926, 18.16) [0.3643, 0.2425, 0.8942]\n", + " PeriodicSite: Li (7.859, 19.81, 8.532) [0.3869, 0.9754, 0.42]\n", + " PeriodicSite: Li (8.282, 15.7, 16.96) [0.4077, 0.7732, 0.8347]\n", + " PeriodicSite: Li (18.55, 8.567, 10.57) [0.9131, 0.4217, 0.5205]\n", + " PeriodicSite: Li (19.13, 8.684, 19.43) [0.9418, 0.4275, 0.9565]\n", + " PeriodicSite: Li (18.46, 0.198, 8.331) [0.9087, 0.009739, 0.4101]\n", + " PeriodicSite: Li (18.28, 16.4, 15.67) [0.9, 0.8076, 0.7715]\n", + " PeriodicSite: Li (6.863, 6.164, 9.156) [0.3379, 0.3034, 0.4508]\n", + " PeriodicSite: Li (3.986, 2.194, 15.95) [0.1962, 0.108, 0.7854]\n", + " PeriodicSite: Li (9.139, 17.64, 9.733) [0.4499, 0.8684, 0.4792]\n", + " PeriodicSite: Li (16.49, 11.49, 16.53) [0.8118, 0.5658, 0.8136]\n", + " PeriodicSite: Li (19.51, 9.653, 8.076) [0.9603, 0.4752, 0.3976]\n", + " PeriodicSite: Li (16.67, 5.967, 18.31) [0.8205, 0.2937, 0.9014]\n", + " PeriodicSite: Li (16.0, 17.59, 9.627) [0.7875, 0.866, 0.4739]\n", + " PeriodicSite: Li (15.31, 14.84, 18.05) [0.7538, 0.7303, 0.8884]\n", + " PeriodicSite: Li (9.543, 9.482, 7.532) [0.4698, 0.4668, 0.3708]\n", + " PeriodicSite: Li (6.095, 4.127, 2.03) [0.3001, 0.2032, 0.09995]\n", + " PeriodicSite: Li (5.087, 17.0, 8.542) [0.2504, 0.8369, 0.4205]\n", + " PeriodicSite: Li (6.995, 15.3, 2.001) [0.3444, 0.7534, 0.0985]\n", + " PeriodicSite: Li (15.71, 7.114, 8.709) [0.7735, 0.3502, 0.4288]\n", + " PeriodicSite: Li (20.16, 6.713, 16.73) [0.9927, 0.3305, 0.8234]\n", + " PeriodicSite: Li (15.95, 18.38, 6.331) [0.785, 0.9046, 0.3117]\n", + " PeriodicSite: Li (15.51, 18.53, 17.46) [0.7636, 0.9121, 0.8595]\n", + " PeriodicSite: Li (7.073, 5.108, 11.84) [0.3482, 0.2515, 0.5831]\n", + " PeriodicSite: Li (5.357, 6.813, 18.36) [0.2638, 0.3354, 0.904]\n", + " PeriodicSite: Li (9.657, 16.9, 6.735) [0.4754, 0.8318, 0.3316]\n", + " PeriodicSite: Li (12.27, 19.75, 1.098) [0.6042, 0.9725, 0.05408]\n", + " PeriodicSite: Li (17.53, 7.385, 5.901) [0.8632, 0.3636, 0.2905]\n", + " PeriodicSite: Li (14.0, 7.181, 0.9524) [0.6893, 0.3535, 0.04689]\n", + " PeriodicSite: Li (19.0, 17.53, 9.719) [0.9355, 0.8628, 0.4785]\n", + " PeriodicSite: Li (18.25, 0.6203, 1.529) [0.8983, 0.03053, 0.07527]\n", + " PeriodicSite: Li (4.716, 9.953, 2.706) [0.2322, 0.49, 0.1332]\n", + " PeriodicSite: Li (9.747, 8.192, 18.49) [0.4799, 0.4033, 0.9105]\n", + " PeriodicSite: Li (6.833, 14.93, 8.368) [0.3364, 0.7352, 0.412]\n", + " PeriodicSite: Li (6.849, 20.12, 17.43) [0.3372, 0.9908, 0.858]\n", + " PeriodicSite: Li (0.07612, 6.63, 7.128) [0.003746, 0.3264, 0.3509]\n", + " PeriodicSite: Li (18.4, 11.09, 1.047) [0.9056, 0.5457, 0.05155]\n", + " PeriodicSite: Li (3.082, 16.69, 0.3384) [0.1517, 0.8218, 0.01666]\n", + " PeriodicSite: Li (15.21, 1.705, 13.44) [0.7487, 0.08396, 0.6617]\n", + " PeriodicSite: Cl (7.673, 12.43, 12.63) [0.3778, 0.6121, 0.6219]\n", + " PeriodicSite: Cl (2.157, 12.23, 17.62) [0.1062, 0.6021, 0.8672]\n", + " PeriodicSite: Cl (12.73, 18.2, 13.13) [0.6269, 0.8961, 0.6462]\n", + " PeriodicSite: Cl (18.17, 7.561, 17.36) [0.8945, 0.3722, 0.8545]\n", + " PeriodicSite: Cl (7.552, 2.112, 2.448) [0.3718, 0.104, 0.1205]\n", + " PeriodicSite: Cl (7.741, 7.873, 7.69) [0.3811, 0.3876, 0.3786]\n", + " PeriodicSite: Cl (12.81, 12.86, 7.93) [0.6304, 0.6332, 0.3904]\n", + " PeriodicSite: Cl (3.009, 7.398, 2.606) [0.1481, 0.3642, 0.1283]\n", + " PeriodicSite: Cl (2.6, 7.144, 12.11) [0.128, 0.3517, 0.5961]\n", + " PeriodicSite: Cl (12.71, 13.46, 17.64) [0.6258, 0.6628, 0.8686]\n", + " PeriodicSite: Cl (17.56, 17.61, 18.0) [0.8644, 0.8668, 0.8863]\n", + " PeriodicSite: Cl (2.296, 2.299, 7.056) [0.113, 0.1132, 0.3474]\n", + " PeriodicSite: Cl (12.63, 2.227, 17.9) [0.6219, 0.1097, 0.8814]\n", + " PeriodicSite: Cl (12.64, 8.186, 2.464) [0.6222, 0.403, 0.1213]\n", + " PeriodicSite: Cl (17.65, 2.568, 13.21) [0.869, 0.1264, 0.6504]\n", + " PeriodicSite: Cl (7.482, 17.65, 17.51) [0.3683, 0.8687, 0.8622]\n", + " PeriodicSite: Cl (0.1136, 20.13, 0.3278) [0.005585, 0.9908, 0.01614]\n", + " PeriodicSite: Cl (0.03675, 0.2353, 10.52) [0.001812, 0.01159, 0.5181]\n", + " PeriodicSite: Cl (0.1706, 10.21, 0.4397) [0.008396, 0.5028, 0.02165]\n", + " PeriodicSite: Cl (20.24, 10.39, 10.11) [0.9965, 0.5116, 0.4978]\n", + " PeriodicSite: Cl (10.28, 0.2726, 0.1105) [0.5061, 0.01341, 0.005444]\n", + " PeriodicSite: Cl (10.16, 0.105, 10.31) [0.5003, 0.005163, 0.5074]\n", + " PeriodicSite: Cl (9.964, 9.947, 0.05588) [0.4905, 0.4897, 0.002754]\n", + " PeriodicSite: Cl (10.55, 10.15, 9.752) [0.5192, 0.4997, 0.4801]\n", + " PeriodicSite: Cl (0.1645, 5.051, 4.782) [0.008097, 0.2487, 0.2354]\n", + " PeriodicSite: Cl (0.1197, 5.108, 14.68) [0.005893, 0.2515, 0.7227]\n", + " PeriodicSite: Cl (19.92, 15.57, 5.515) [0.9807, 0.7663, 0.2715]\n", + " PeriodicSite: Cl (20.05, 15.14, 15.13) [0.9869, 0.7455, 0.7448]\n", + " PeriodicSite: Cl (10.21, 5.175, 5.307) [0.5028, 0.2548, 0.2613]\n", + " PeriodicSite: Cl (9.971, 5.298, 15.09) [0.4909, 0.2608, 0.743]\n", + " PeriodicSite: Cl (10.14, 14.97, 4.817) [0.4991, 0.737, 0.2371]\n", + " PeriodicSite: Cl (10.41, 15.19, 15.37) [0.5124, 0.7476, 0.7566]\n", + " PeriodicSite: S (4.959, 20.13, 4.975) [0.2441, 0.9912, 0.2449]\n", + " PeriodicSite: S (5.231, 0.04129, 15.1) [0.2575, 0.002031, 0.7432]\n", + " PeriodicSite: S (4.815, 10.12, 5.144) [0.2371, 0.4982, 0.2532]\n", + " PeriodicSite: S (5.115, 10.22, 15.0) [0.2518, 0.5034, 0.7384]\n", + " PeriodicSite: S (15.06, 20.15, 5.093) [0.7414, 0.992, 0.2507]\n", + " PeriodicSite: S (14.94, 0.01258, 15.47) [0.7353, 0.0006136, 0.7615]\n", + " PeriodicSite: S (15.11, 10.3, 5.081) [0.744, 0.5072, 0.2501]\n", + " PeriodicSite: S (15.24, 10.27, 15.01) [0.7504, 0.5054, 0.7388]\n", + " PeriodicSite: S (5.323, 5.025, 19.99) [0.2621, 0.2474, 0.9841]\n", + " PeriodicSite: S (5.366, 4.957, 10.26) [0.2642, 0.244, 0.5053]\n", + " PeriodicSite: S (5.091, 15.08, 0.3594) [0.2506, 0.7424, 0.0177]\n", + " PeriodicSite: S (4.839, 14.84, 10.2) [0.2382, 0.7306, 0.502]\n", + " PeriodicSite: S (15.39, 5.19, 20.12) [0.7577, 0.2555, 0.9905]\n", + " PeriodicSite: S (14.97, 5.173, 10.09) [0.7369, 0.2547, 0.4967]\n", + " PeriodicSite: S (15.06, 15.21, 0.1247) [0.7416, 0.7486, 0.006142]\n", + " PeriodicSite: S (15.19, 15.09, 10.28) [0.7476, 0.7431, 0.5061]\n", + " PeriodicSite: S (8.684, 4.046, 8.76) [0.4275, 0.1992, 0.4313]\n", + " PeriodicSite: S (9.045, 3.865, 19.51) [0.4453, 0.1903, 0.9607]\n", + " PeriodicSite: S (9.451, 13.95, 9.15) [0.4653, 0.6866, 0.4505]\n", + " PeriodicSite: S (8.933, 14.21, 18.98) [0.4398, 0.6998, 0.9344]\n", + " PeriodicSite: S (19.42, 4.09, 8.468) [0.9559, 0.2013, 0.4169]\n", + " PeriodicSite: S (19.07, 4.411, 18.76) [0.939, 0.2171, 0.9235]\n", + " PeriodicSite: S (19.23, 14.03, 9.246) [0.9467, 0.6909, 0.4552]\n", + " PeriodicSite: S (18.96, 13.97, 19.14) [0.9334, 0.6876, 0.9422]\n", + " PeriodicSite: S (3.965, 0.9823, 1.135) [0.1952, 0.04836, 0.0559]\n", + " PeriodicSite: S (3.592, 0.9357, 11.47) [0.1768, 0.04606, 0.5648]\n", + " PeriodicSite: S (3.646, 11.25, 0.9543) [0.1795, 0.5537, 0.04698]\n", + " PeriodicSite: S (3.729, 11.44, 11.29) [0.1836, 0.5634, 0.5559]\n", + " PeriodicSite: S (14.25, 1.301, 1.403) [0.7014, 0.06405, 0.06909]\n", + " PeriodicSite: S (13.86, 1.073, 11.7) [0.6822, 0.05282, 0.5761]\n", + " PeriodicSite: S (13.99, 11.23, 0.8145) [0.6888, 0.5529, 0.04011]\n", + " PeriodicSite: S (13.87, 11.38, 11.33) [0.683, 0.5603, 0.558]\n", + " PeriodicSite: S (5.917, 1.009, 8.831) [0.2913, 0.04969, 0.4348]\n", + " PeriodicSite: S (6.309, 0.9696, 19.22) [0.3106, 0.04773, 0.9461]\n", + " PeriodicSite: S (6.429, 11.3, 9.218) [0.3165, 0.5564, 0.4538]\n", + " PeriodicSite: S (6.017, 11.68, 18.78) [0.2962, 0.5752, 0.9246]\n", + " PeriodicSite: S (16.44, 1.591, 9.623) [0.8094, 0.07833, 0.4737]\n", + " PeriodicSite: S (16.45, 1.089, 19.06) [0.8098, 0.05361, 0.9383]\n", + " PeriodicSite: S (16.5, 11.25, 8.927) [0.8124, 0.5538, 0.4395]\n", + " PeriodicSite: S (17.0, 11.28, 19.15) [0.8369, 0.5551, 0.9428]\n", + " PeriodicSite: S (1.06, 4.178, 1.087) [0.0522, 0.2057, 0.05354]\n", + " PeriodicSite: S (1.353, 3.551, 11.23) [0.0666, 0.1748, 0.5529]\n", + " PeriodicSite: S (0.9995, 13.92, 1.416) [0.0492, 0.6852, 0.06969]\n", + " PeriodicSite: S (1.291, 14.42, 11.63) [0.06354, 0.7099, 0.5727]\n", + " PeriodicSite: S (11.62, 4.076, 1.37) [0.572, 0.2007, 0.06747]\n", + " PeriodicSite: S (11.09, 3.727, 10.88) [0.5459, 0.1835, 0.5358]\n", + " PeriodicSite: S (11.3, 14.5, 1.157) [0.5563, 0.7139, 0.05696]\n", + " PeriodicSite: S (11.8, 14.11, 11.42) [0.5807, 0.6948, 0.5622]\n", + " PeriodicSite: S (2.787, 2.538, 17.97) [0.1372, 0.125, 0.8845]\n", + " PeriodicSite: S (2.583, 12.64, 7.844) [0.1271, 0.6225, 0.3862]\n", + " PeriodicSite: S (13.04, 2.25, 7.542) [0.6418, 0.1108, 0.3713]\n", + " PeriodicSite: S (8.621, 9.146, 3.717) [0.4244, 0.4503, 0.183]\n", + " PeriodicSite: S (8.858, 8.933, 14.47) [0.4361, 0.4398, 0.7126]\n", + " PeriodicSite: S (8.892, 18.41, 4.441) [0.4377, 0.9063, 0.2186]\n", + " PeriodicSite: S (8.745, 18.95, 14.09) [0.4305, 0.9329, 0.6937]\n", + " PeriodicSite: S (18.99, 8.525, 4.292) [0.935, 0.4197, 0.2113]\n", + " PeriodicSite: S (19.15, 8.63, 13.73) [0.9429, 0.4249, 0.6758]\n", + " PeriodicSite: S (18.71, 19.43, 3.874) [0.9212, 0.9564, 0.1907]\n", + " PeriodicSite: S (19.28, 19.01, 14.32) [0.9493, 0.9361, 0.7048]\n", + " PeriodicSite: S (3.601, 6.355, 6.111) [0.1773, 0.3129, 0.3009]\n", + " PeriodicSite: S (3.981, 6.304, 16.27) [0.196, 0.3104, 0.8011]\n", + " PeriodicSite: S (3.937, 16.33, 6.423) [0.1938, 0.8042, 0.3162]\n", + " PeriodicSite: S (4.119, 16.4, 16.48) [0.2028, 0.8075, 0.8115]\n", + " PeriodicSite: S (13.88, 6.116, 6.364) [0.6834, 0.3011, 0.3133]\n", + " PeriodicSite: S (13.58, 6.327, 16.33) [0.6688, 0.3115, 0.8039]\n", + " PeriodicSite: S (13.73, 16.78, 6.386) [0.676, 0.8259, 0.3144]\n", + " PeriodicSite: S (14.4, 16.36, 16.66) [0.7087, 0.8056, 0.8201]\n", + " PeriodicSite: S (6.635, 6.19, 4.341) [0.3266, 0.3047, 0.2137]\n", + " PeriodicSite: S (6.262, 6.586, 13.97) [0.3083, 0.3242, 0.688]\n", + " PeriodicSite: S (6.387, 16.27, 4.193) [0.3144, 0.801, 0.2064]\n", + " PeriodicSite: S (6.136, 16.52, 13.9) [0.3021, 0.8132, 0.6845]\n", + " PeriodicSite: S (16.25, 6.455, 4.167) [0.8001, 0.3178, 0.2051]\n", + " PeriodicSite: S (16.15, 6.171, 14.09) [0.7953, 0.3038, 0.6936]\n", + " PeriodicSite: S (16.14, 16.42, 4.095) [0.7944, 0.8086, 0.2016]\n", + " PeriodicSite: S (16.48, 16.47, 14.14) [0.8112, 0.8109, 0.696]\n", + " PeriodicSite: S (1.19, 9.076, 6.373) [0.05859, 0.4468, 0.3138]\n", + " PeriodicSite: S (1.475, 8.427, 15.7) [0.07261, 0.4149, 0.7728]\n", + " PeriodicSite: S (0.8734, 19.0, 5.941) [0.04299, 0.9355, 0.2925]\n", + " PeriodicSite: S (1.228, 19.28, 16.9) [0.06043, 0.9493, 0.832]\n", + " PeriodicSite: S (11.05, 8.76, 5.834) [0.5438, 0.4313, 0.2872]\n", + " PeriodicSite: S (11.45, 9.204, 16.46) [0.5637, 0.4531, 0.8105]\n", + " PeriodicSite: S (11.29, 18.85, 6.405) [0.5557, 0.9279, 0.3153]\n", + " PeriodicSite: S (11.27, 19.44, 16.02) [0.555, 0.9571, 0.7887]\n", + " PeriodicSite: S (2.49, 17.65, 2.466) [0.1226, 0.869, 0.1214]\n", + " PeriodicSite: S (2.447, 17.43, 13.34) [0.1205, 0.8582, 0.6567]\n", + " PeriodicSite: S (12.19, 7.687, 12.23) [0.6003, 0.3784, 0.602]\n", + " PeriodicSite: S (12.73, 17.75, 2.462) [0.6265, 0.8737, 0.1212]\n", + " PeriodicSite: S (4.072, 3.95, 3.69) [0.2005, 0.1945, 0.1817]\n", + " PeriodicSite: S (4.065, 4.113, 13.96) [0.2001, 0.2025, 0.6875]\n", + " PeriodicSite: S (3.676, 14.33, 3.664) [0.181, 0.7054, 0.1804]\n", + " PeriodicSite: S (4.207, 13.8, 14.06) [0.2071, 0.6796, 0.6923]\n", + " PeriodicSite: S (14.13, 3.747, 3.945) [0.6955, 0.1845, 0.1942]\n", + " PeriodicSite: S (13.8, 3.836, 14.23) [0.6795, 0.1888, 0.7007]\n", + " PeriodicSite: S (13.89, 14.19, 4.23) [0.6841, 0.6984, 0.2083]\n", + " PeriodicSite: S (14.09, 14.13, 14.15) [0.6937, 0.6955, 0.6966]\n", + " PeriodicSite: S (8.735, 0.8137, 6.716) [0.43, 0.04006, 0.3306]\n", + " PeriodicSite: S (8.653, 1.255, 16.29) [0.426, 0.06177, 0.802]\n", + " PeriodicSite: S (8.979, 11.54, 6.149) [0.442, 0.5682, 0.3027]\n", + " PeriodicSite: S (9.0, 11.5, 16.56) [0.4431, 0.5663, 0.8152]\n", + " PeriodicSite: S (19.06, 1.309, 6.326) [0.9385, 0.06442, 0.3114]\n", + " PeriodicSite: S (19.07, 1.493, 16.19) [0.9387, 0.0735, 0.797]\n", + " PeriodicSite: S (19.02, 11.37, 6.441) [0.9364, 0.5597, 0.3171]\n", + " PeriodicSite: S (19.27, 10.95, 16.09) [0.9484, 0.539, 0.7921]\n", + " PeriodicSite: S (1.189, 0.9458, 3.659) [0.05855, 0.04656, 0.1801]\n", + " PeriodicSite: S (1.359, 0.9598, 14.24) [0.0669, 0.04725, 0.7009]\n", + " PeriodicSite: S (0.892, 10.95, 3.664) [0.04391, 0.5391, 0.1804]\n", + " PeriodicSite: S (1.211, 10.92, 13.52) [0.05961, 0.5378, 0.6655]\n", + " PeriodicSite: S (10.98, 1.147, 4.42) [0.5406, 0.05646, 0.2176]\n", + " PeriodicSite: S (10.63, 1.542, 13.76) [0.5233, 0.07591, 0.6774]\n", + " PeriodicSite: S (11.39, 11.48, 3.849) [0.561, 0.565, 0.1895]\n", + " PeriodicSite: S (11.18, 11.48, 14.06) [0.5502, 0.5651, 0.6921]\n", + " PeriodicSite: S (5.784, 3.723, 6.509) [0.2847, 0.1833, 0.3205]\n", + " PeriodicSite: S (6.379, 3.935, 16.36) [0.3141, 0.1937, 0.8055]\n", + " PeriodicSite: S (6.02, 13.8, 6.315) [0.2964, 0.6792, 0.3109]\n", + " PeriodicSite: S (6.454, 14.14, 16.42) [0.3178, 0.6961, 0.8083]\n", + " PeriodicSite: S (16.39, 3.813, 6.254) [0.8067, 0.1877, 0.3079]\n", + " PeriodicSite: S (16.24, 4.027, 16.62) [0.7993, 0.1982, 0.8181]\n", + " PeriodicSite: S (16.11, 14.08, 6.581) [0.7931, 0.693, 0.324]\n", + " PeriodicSite: S (16.75, 13.97, 16.33) [0.8246, 0.688, 0.8039]\n", + " PeriodicSite: S (7.365, 2.489, 12.6) [0.3626, 0.1225, 0.6201]\n", + " PeriodicSite: S (7.548, 13.24, 2.367) [0.3716, 0.652, 0.1165]\n", + " PeriodicSite: S (17.84, 2.976, 2.488) [0.8781, 0.1465, 0.1225]\n", + " PeriodicSite: S (17.58, 12.86, 2.714) [0.8654, 0.6331, 0.1336]\n", + " PeriodicSite: S (17.82, 12.61, 12.49) [0.8771, 0.621, 0.615]\n", + " PeriodicSite: S (3.814, 8.93, 8.774) [0.1877, 0.4396, 0.432]\n", + " PeriodicSite: S (3.971, 8.872, 18.98) [0.1955, 0.4368, 0.9344]\n", + " PeriodicSite: S (3.758, 18.98, 8.799) [0.185, 0.9343, 0.4332]\n", + " PeriodicSite: S (4.018, 18.73, 19.27) [0.1978, 0.9219, 0.9488]\n", + " PeriodicSite: S (14.14, 9.148, 8.767) [0.696, 0.4504, 0.4316]\n", + " PeriodicSite: S (14.12, 8.669, 19.06) [0.695, 0.4268, 0.9382]\n", + " PeriodicSite: S (14.02, 19.32, 9.129) [0.6904, 0.9511, 0.4494]\n", + " PeriodicSite: S (14.0, 19.11, 19.52) [0.6893, 0.9407, 0.961]\n", + " PeriodicSite: S (8.801, 6.1, 1.526) [0.4333, 0.3003, 0.07513]\n", + " PeriodicSite: S (8.888, 6.605, 10.72) [0.4375, 0.3252, 0.5278]\n", + " PeriodicSite: S (9.092, 17.06, 0.8996) [0.4476, 0.8401, 0.04429]\n", + " PeriodicSite: S (9.067, 16.21, 11.66) [0.4464, 0.7979, 0.5742]\n", + " PeriodicSite: S (19.57, 7.03, 0.8549) [0.9635, 0.3461, 0.0421]\n", + " PeriodicSite: S (19.55, 6.058, 11.14) [0.9626, 0.2982, 0.5487]\n", + " PeriodicSite: S (18.86, 16.28, 1.216) [0.9284, 0.8013, 0.05986]\n", + " PeriodicSite: S (19.09, 16.38, 11.56) [0.9396, 0.8063, 0.5693]\n", + " PeriodicSite: S (1.717, 5.872, 8.743) [0.08452, 0.2891, 0.4304]\n", + " PeriodicSite: S (1.359, 6.34, 18.81) [0.06693, 0.3121, 0.9259]\n", + " PeriodicSite: S (1.04, 16.54, 8.861) [0.05119, 0.8145, 0.4363]\n", + " PeriodicSite: S (1.037, 16.43, 19.29) [0.05104, 0.809, 0.9496]\n", + " PeriodicSite: S (11.41, 6.144, 8.58) [0.5617, 0.3025, 0.4224]\n", + " PeriodicSite: S (11.14, 6.676, 19.57) [0.5483, 0.3287, 0.9637]\n", + " PeriodicSite: S (11.24, 16.87, 9.172) [0.5532, 0.8308, 0.4515]\n", + " PeriodicSite: S (11.18, 16.83, 18.81) [0.5506, 0.8287, 0.9262]\n", + " PeriodicSite: S (6.506, 9.412, 0.9719) [0.3203, 0.4634, 0.04785]\n", + " PeriodicSite: S (5.71, 8.753, 11.39) [0.2811, 0.4309, 0.5605]\n", + " PeriodicSite: S (6.361, 18.82, 1.269) [0.3132, 0.9268, 0.06248]\n", + " PeriodicSite: S (6.362, 19.1, 11.27) [0.3132, 0.9403, 0.5549]\n", + " PeriodicSite: S (16.42, 8.953, 1.195) [0.8084, 0.4407, 0.05881]\n", + " PeriodicSite: S (16.26, 8.915, 11.4) [0.8005, 0.4389, 0.5613]\n", + " PeriodicSite: S (16.56, 19.26, 1.208) [0.8151, 0.948, 0.05947]\n", + " PeriodicSite: S (16.57, 19.19, 11.33) [0.8159, 0.9447, 0.5579]\n", + " PeriodicSite: S (7.644, 7.54, 17.86) [0.3763, 0.3712, 0.8791]\n", + " PeriodicSite: S (7.424, 17.37, 8.067) [0.3655, 0.8551, 0.3971]\n", + " PeriodicSite: S (18.01, 7.643, 8.164) [0.8865, 0.3763, 0.4019]\n", + " PeriodicSite: S (17.68, 17.93, 7.912) [0.8703, 0.8825, 0.3895]\n", + " PeriodicSite: P (5.133, 20.09, 0.1145) [0.2527, 0.9889, 0.005638]\n", + " PeriodicSite: P (4.791, 20.2, 10.18) [0.2358, 0.9945, 0.5014]\n", + " PeriodicSite: P (5.063, 10.27, 19.98) [0.2493, 0.5054, 0.9834]\n", + " PeriodicSite: P (5.034, 10.1, 10.11) [0.2478, 0.4972, 0.4979]\n", + " PeriodicSite: P (15.3, 0.1015, 0.1307) [0.7531, 0.004991, 0.00644]\n", + " PeriodicSite: P (15.21, 0.2159, 10.45) [0.7488, 0.01062, 0.5144]\n", + " PeriodicSite: P (15.45, 10.15, 20.07) [0.7607, 0.4997, 0.9883]\n", + " PeriodicSite: P (15.2, 10.19, 10.22) [0.7483, 0.5014, 0.5031]\n", + " PeriodicSite: P (5.008, 5.126, 5.188) [0.2465, 0.2524, 0.2554]\n", + " PeriodicSite: P (5.284, 5.192, 15.13) [0.2601, 0.2556, 0.745]\n", + " PeriodicSite: P (4.858, 15.14, 5.067) [0.2392, 0.7453, 0.2495]\n", + " PeriodicSite: P (5.177, 15.25, 15.25) [0.2549, 0.7509, 0.7506]\n", + " PeriodicSite: P (15.18, 5.051, 5.27) [0.7474, 0.2487, 0.2595]\n", + " PeriodicSite: P (15.02, 5.119, 15.36) [0.7396, 0.252, 0.7563]\n", + " PeriodicSite: P (15.1, 15.41, 5.493) [0.7436, 0.7584, 0.2704]\n", + " PeriodicSite: P (15.37, 15.2, 15.27) [0.7569, 0.7482, 0.7518]\n", + " PeriodicSite: P (20.13, 0.1038, 4.961) [0.991, 0.005104, 0.2442]\n", + " PeriodicSite: P (0.04056, 0.0248, 15.44) [0.002001, 0.001222, 0.7602]\n", + " PeriodicSite: P (20.15, 9.969, 5.154) [0.9919, 0.4908, 0.2537]\n", + " PeriodicSite: P (0.16, 9.842, 14.87) [0.007879, 0.4845, 0.7322]\n", + " PeriodicSite: P (10.01, 20.07, 5.433) [0.4929, 0.9878, 0.2675]\n", + " PeriodicSite: P (9.773, 0.179, 15.03) [0.4812, 0.00881, 0.7398]\n", + " PeriodicSite: P (9.99, 10.26, 4.817) [0.4918, 0.5049, 0.2372]\n", + " PeriodicSite: P (10.05, 10.29, 15.37) [0.4949, 0.5065, 0.7566]\n", + " PeriodicSite: P (0.03827, 5.388, 20.04) [0.001887, 0.2652, 0.9868]\n", + " PeriodicSite: P (0.2637, 4.954, 9.854) [0.01298, 0.2439, 0.4851]\n", + " PeriodicSite: P (20.24, 15.03, 0.0552) [0.9963, 0.7399, 0.002725]\n", + " PeriodicSite: P (0.07897, 15.34, 10.32) [0.003883, 0.7552, 0.5082]\n", + " PeriodicSite: P (10.13, 5.233, 0.3273) [0.4987, 0.2576, 0.01612]\n", + " PeriodicSite: P (10.07, 5.253, 9.758) [0.4957, 0.2586, 0.4804]\n", + " PeriodicSite: P (10.07, 15.56, 20.21) [0.4956, 0.7658, 0.9952]\n", + " PeriodicSite: P (10.43, 15.33, 10.35) [0.5136, 0.7546, 0.5095],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.746, 5.459, 3.584) [0.08594, 0.2688, 0.1765]\n", + " PeriodicSite: Li (0.02682, 3.28, 13.16) [0.001322, 0.1615, 0.6477]\n", + " PeriodicSite: Li (0.4055, 13.18, 6.696) [0.01996, 0.6487, 0.3296]\n", + " PeriodicSite: Li (0.3067, 13.25, 16.89) [0.0151, 0.6522, 0.8316]\n", + " PeriodicSite: Li (14.86, 0.5854, 7.507) [0.7313, 0.02882, 0.3696]\n", + " PeriodicSite: Li (11.51, 3.036, 15.24) [0.5667, 0.1495, 0.7504]\n", + " PeriodicSite: Li (13.6, 10.15, 3.5) [0.6695, 0.4997, 0.1723]\n", + " PeriodicSite: Li (17.27, 8.01, 15.55) [0.8501, 0.3943, 0.7656]\n", + " PeriodicSite: Li (3.851, 4.712, 8.323) [0.1896, 0.232, 0.4098]\n", + " PeriodicSite: Li (2.4, 2.628, 20.2) [0.1181, 0.1294, 0.9944]\n", + " PeriodicSite: Li (2.775, 8.27, 4.915) [0.1366, 0.4071, 0.242]\n", + " PeriodicSite: Li (7.417, 9.837, 17.28) [0.3652, 0.4843, 0.8509]\n", + " PeriodicSite: Li (12.2, 4.108, 6.086) [0.6006, 0.2023, 0.2996]\n", + " PeriodicSite: Li (12.39, 20.3, 17.59) [0.61, 0.9994, 0.8661]\n", + " PeriodicSite: Li (10.26, 8.221, 11.9) [0.5052, 0.4047, 0.5858]\n", + " PeriodicSite: Li (9.74, 18.28, 18.3) [0.4795, 0.9, 0.901]\n", + " PeriodicSite: Li (6.592, 1.06, 6.073) [0.3245, 0.0522, 0.299]\n", + " PeriodicSite: Li (4.475, 19.26, 12.93) [0.2203, 0.948, 0.6364]\n", + " PeriodicSite: Li (2.874, 10.39, 6.72) [0.1415, 0.5113, 0.3309]\n", + " PeriodicSite: Li (6.859, 10.12, 13.74) [0.3377, 0.4982, 0.6765]\n", + " PeriodicSite: Li (12.25, 0.1401, 8.163) [0.6029, 0.006895, 0.4019]\n", + " PeriodicSite: Li (11.15, 2.087, 20.15) [0.5488, 0.1027, 0.9922]\n", + " PeriodicSite: Li (13.45, 15.48, 8.567) [0.6621, 0.762, 0.4218]\n", + " PeriodicSite: Li (12.45, 9.434, 0.5201) [0.6127, 0.4644, 0.02561]\n", + " PeriodicSite: Li (0.5031, 3.037, 6.474) [0.02477, 0.1495, 0.3187]\n", + " PeriodicSite: Li (0.3846, 2.951, 17.72) [0.01894, 0.1453, 0.8726]\n", + " PeriodicSite: Li (2.665, 15.21, 8.091) [0.1312, 0.7486, 0.3983]\n", + " PeriodicSite: Li (3.017, 14.85, 18.95) [0.1485, 0.7308, 0.9327]\n", + " PeriodicSite: Li (13.18, 1.817, 5.27) [0.649, 0.08944, 0.2594]\n", + " PeriodicSite: Li (14.38, 2.249, 16.56) [0.7081, 0.1107, 0.8154]\n", + " PeriodicSite: Li (11.83, 11.86, 10.28) [0.5824, 0.5838, 0.5061]\n", + " PeriodicSite: Li (16.64, 16.83, 20.02) [0.8191, 0.8286, 0.9855]\n", + " PeriodicSite: Li (6.296, 0.1954, 3.418) [0.3099, 0.009617, 0.1683]\n", + " PeriodicSite: Li (0.6228, 19.22, 2.309) [0.03065, 0.9462, 0.1137]\n", + " PeriodicSite: Li (2.67, 13.43, 10.17) [0.1315, 0.661, 0.5008]\n", + " PeriodicSite: Li (2.358, 16.18, 14.5) [0.1161, 0.7964, 0.7138]\n", + " PeriodicSite: Li (15.11, 3.796, 8.035) [0.7436, 0.1869, 0.3956]\n", + " PeriodicSite: Li (13.96, 6.273, 18.71) [0.687, 0.3088, 0.9211]\n", + " PeriodicSite: Li (17.05, 15.9, 8.449) [0.8393, 0.783, 0.4159]\n", + " PeriodicSite: Li (10.56, 12.55, 18.53) [0.52, 0.6176, 0.9124]\n", + " PeriodicSite: Li (3.798, 1.938, 4.955) [0.187, 0.09541, 0.2439]\n", + " PeriodicSite: Li (3.327, 0.1863, 17.18) [0.1638, 0.00917, 0.846]\n", + " PeriodicSite: Li (3.384, 12.27, 5.344) [0.1666, 0.6042, 0.2631]\n", + " PeriodicSite: Li (17.92, 14.87, 3.538) [0.8823, 0.7318, 0.1742]\n", + " PeriodicSite: Li (10.55, 2.104, 8.854) [0.5195, 0.1036, 0.4359]\n", + " PeriodicSite: Li (17.26, 20.28, 15.71) [0.8499, 0.9983, 0.7735]\n", + " PeriodicSite: Li (14.73, 11.71, 7.036) [0.7251, 0.5766, 0.3464]\n", + " PeriodicSite: Li (14.2, 8.83, 16.56) [0.6991, 0.4347, 0.815]\n", + " PeriodicSite: Li (3.171, 11.9, 15.16) [0.1561, 0.5857, 0.7463]\n", + " PeriodicSite: Li (1.749, 10.8, 9.526) [0.08608, 0.5316, 0.469]\n", + " PeriodicSite: Li (1.337, 15.42, 3.273) [0.06582, 0.7593, 0.1611]\n", + " PeriodicSite: Li (1.807, 1.641, 9.895) [0.08896, 0.08078, 0.4871]\n", + " PeriodicSite: Li (12.31, 5.666, 3.24) [0.6062, 0.2789, 0.1595]\n", + " PeriodicSite: Li (11.89, 7.211, 14.76) [0.5856, 0.355, 0.7268]\n", + " PeriodicSite: Li (11.73, 13.3, 6.078) [0.5774, 0.6549, 0.2992]\n", + " PeriodicSite: Li (12.74, 19.72, 14.25) [0.6272, 0.9708, 0.7017]\n", + " PeriodicSite: Li (3.576, 5.858, 1.377) [0.176, 0.2884, 0.06779]\n", + " PeriodicSite: Li (3.108, 5.061, 11.83) [0.153, 0.2492, 0.5823]\n", + " PeriodicSite: Li (5.471, 17.02, 18.8) [0.2694, 0.8381, 0.9254]\n", + " PeriodicSite: Li (2.73, 19.05, 15.01) [0.1344, 0.9377, 0.7391]\n", + " PeriodicSite: Li (13.61, 3.528, 0.5564) [0.6702, 0.1737, 0.02739]\n", + " PeriodicSite: Li (12.34, 5.535, 12.03) [0.6073, 0.2725, 0.5923]\n", + " PeriodicSite: Li (11.93, 16.32, 4.322) [0.5874, 0.8037, 0.2128]\n", + " PeriodicSite: Li (10.45, 17.26, 13.93) [0.5146, 0.8499, 0.6857]\n", + " PeriodicSite: Li (4.267, 10.91, 17.33) [0.21, 0.537, 0.8534]\n", + " PeriodicSite: Li (4.141, 7.3, 10.3) [0.2039, 0.3594, 0.5069]\n", + " PeriodicSite: Li (4.666, 16.24, 2.296) [0.2297, 0.7996, 0.113]\n", + " PeriodicSite: Li (2.935, 17.36, 10.9) [0.1445, 0.8548, 0.5366]\n", + " PeriodicSite: Li (10.3, 8.249, 2.011) [0.5069, 0.4061, 0.09903]\n", + " PeriodicSite: Li (15.1, 6.777, 11.92) [0.7432, 0.3336, 0.5867]\n", + " PeriodicSite: Li (9.874, 18.06, 2.662) [0.4861, 0.8891, 0.131]\n", + " PeriodicSite: Li (14.27, 15.6, 12.04) [0.7024, 0.7679, 0.5929]\n", + " PeriodicSite: Li (2.088, 8.956, 0.3051) [0.1028, 0.4409, 0.01502]\n", + " PeriodicSite: Li (17.17, 5.794, 9.268) [0.8452, 0.2853, 0.4563]\n", + " PeriodicSite: Li (2.862, 18.15, 5.203) [0.1409, 0.8933, 0.2561]\n", + " PeriodicSite: Li (1.724, 20.17, 12.38) [0.08486, 0.9929, 0.6093]\n", + " PeriodicSite: Li (9.253, 7.407, 5.121) [0.4555, 0.3647, 0.2521]\n", + " PeriodicSite: Li (13.67, 12.19, 15.5) [0.673, 0.5999, 0.763]\n", + " PeriodicSite: Li (15.03, 15.86, 2.546) [0.7399, 0.7809, 0.1253]\n", + " PeriodicSite: Li (12.35, 14.93, 16.37) [0.6079, 0.7351, 0.8058]\n", + " PeriodicSite: Li (6.006, 7.579, 5.488) [0.2957, 0.3731, 0.2702]\n", + " PeriodicSite: Li (20.03, 12.23, 12.35) [0.986, 0.602, 0.6081]\n", + " PeriodicSite: Li (18.66, 17.49, 5.934) [0.9186, 0.8613, 0.2922]\n", + " PeriodicSite: Li (5.673, 18.1, 15.92) [0.2793, 0.8911, 0.7838]\n", + " PeriodicSite: Li (17.06, 10.4, 3.372) [0.8398, 0.5122, 0.166]\n", + " PeriodicSite: Li (12.55, 7.788, 10.13) [0.6176, 0.3834, 0.4988]\n", + " PeriodicSite: Li (13.4, 16.98, 0.5674) [0.6596, 0.8362, 0.02794]\n", + " PeriodicSite: Li (12.13, 18.52, 10.54) [0.597, 0.9119, 0.5187]\n", + " PeriodicSite: Li (4.938, 2.861, 19.13) [0.2431, 0.1409, 0.9418]\n", + " PeriodicSite: Li (3.731, 9.626, 13.11) [0.1837, 0.4739, 0.6456]\n", + " PeriodicSite: Li (3.226, 20.14, 3.29) [0.1588, 0.9916, 0.162]\n", + " PeriodicSite: Li (19.96, 16.77, 13.12) [0.9825, 0.8258, 0.6458]\n", + " PeriodicSite: Li (13.56, 8.822, 5.949) [0.6677, 0.4343, 0.2929]\n", + " PeriodicSite: Li (13.59, 9.662, 13.43) [0.6691, 0.4757, 0.661]\n", + " PeriodicSite: Li (12.79, 19.26, 4.594) [0.6298, 0.9483, 0.2262]\n", + " PeriodicSite: Li (17.91, 4.379, 14.65) [0.8815, 0.2156, 0.7211]\n", + " PeriodicSite: Li (9.614, 3.627, 2.847) [0.4733, 0.1785, 0.1402]\n", + " PeriodicSite: Li (9.674, 1.842, 12.12) [0.4763, 0.09069, 0.5966]\n", + " PeriodicSite: Li (7.157, 10.78, 3.96) [0.3523, 0.5308, 0.195]\n", + " PeriodicSite: Li (6.269, 12.39, 14.86) [0.3086, 0.6099, 0.7314]\n", + " PeriodicSite: Li (18.15, 4.612, 4.246) [0.8934, 0.227, 0.209]\n", + " PeriodicSite: Li (12.79, 4.279, 9.156) [0.6295, 0.2106, 0.4508]\n", + " PeriodicSite: Li (19.64, 12.65, 3.735) [0.9667, 0.6229, 0.1839]\n", + " PeriodicSite: Li (17.22, 10.35, 13.37) [0.8478, 0.5096, 0.6582]\n", + " PeriodicSite: Li (6.83, 17.84, 6.026) [0.3362, 0.8783, 0.2966]\n", + " PeriodicSite: Li (8.584, 3.482, 14.43) [0.4226, 0.1714, 0.7103]\n", + " PeriodicSite: Li (6.387, 14.04, 18.64) [0.3144, 0.6912, 0.9177]\n", + " PeriodicSite: Li (9.835, 13.29, 13.21) [0.4842, 0.6544, 0.6503]\n", + " PeriodicSite: Li (15.4, 18.97, 3.276) [0.758, 0.9337, 0.1613]\n", + " PeriodicSite: Li (18.4, 0.7104, 11.83) [0.9059, 0.03497, 0.5826]\n", + " PeriodicSite: Li (17.17, 13.98, 0.1847) [0.8454, 0.6885, 0.009101]\n", + " PeriodicSite: Li (17.44, 14.87, 11.4) [0.8588, 0.7318, 0.5613]\n", + " PeriodicSite: Li (7.855, 4.323, 5.784) [0.3867, 0.2128, 0.2848]\n", + " PeriodicSite: Li (7.063, 0.3062, 12.66) [0.3477, 0.01507, 0.6233]\n", + " PeriodicSite: Li (9.876, 13.22, 2.803) [0.4862, 0.6508, 0.138]\n", + " PeriodicSite: Li (5.608, 13.3, 11.24) [0.2761, 0.6546, 0.5535]\n", + " PeriodicSite: Li (19.9, 3.32, 2.096) [0.9798, 0.1635, 0.1032]\n", + " PeriodicSite: Li (0.223, 7.179, 13.27) [0.01098, 0.3534, 0.6531]\n", + " PeriodicSite: Li (15.08, 13.23, 2.387) [0.7426, 0.6514, 0.1175]\n", + " PeriodicSite: Li (15.56, 12.18, 13.18) [0.7661, 0.5994, 0.6487]\n", + " PeriodicSite: Li (3.388, 0.002528, 6.956) [0.1668, 0.0001234, 0.3425]\n", + " PeriodicSite: Li (6.119, 1.869, 14.58) [0.3012, 0.09203, 0.7178]\n", + " PeriodicSite: Li (5.143, 13.18, 2.023) [0.2532, 0.6487, 0.0996]\n", + " PeriodicSite: Li (8.597, 7.292, 15.49) [0.4232, 0.359, 0.7624]\n", + " PeriodicSite: Li (17.45, 4.913, 1.293) [0.859, 0.2419, 0.06366]\n", + " PeriodicSite: Li (15.12, 18.61, 13.66) [0.7443, 0.9161, 0.6724]\n", + " PeriodicSite: Li (13.28, 13.53, 19.93) [0.6537, 0.6659, 0.9813]\n", + " PeriodicSite: Li (18.47, 12.22, 10.51) [0.9095, 0.6014, 0.5172]\n", + " PeriodicSite: Li (7.168, 7.165, 0.3298) [0.3529, 0.3527, 0.01624]\n", + " PeriodicSite: Li (5.095, 2.983, 12.1) [0.2508, 0.1469, 0.5959]\n", + " PeriodicSite: Li (8.419, 11.56, 0.3308) [0.4145, 0.569, 0.01629]\n", + " PeriodicSite: Li (8.513, 11.8, 10.76) [0.4191, 0.5808, 0.5297]\n", + " PeriodicSite: Li (15.27, 2.964, 2.429) [0.7518, 0.1459, 0.1196]\n", + " PeriodicSite: Li (15.27, 3.415, 11.32) [0.7517, 0.1681, 0.5573]\n", + " PeriodicSite: Li (1.798, 11.94, 20.21) [0.08852, 0.5879, 0.9949]\n", + " PeriodicSite: Li (18.38, 13.99, 14.75) [0.9049, 0.6885, 0.7261]\n", + " PeriodicSite: Li (8.208, 0.672, 0.8628) [0.4041, 0.03308, 0.04248]\n", + " PeriodicSite: Li (6.777, 2.892, 9.829) [0.3337, 0.1424, 0.4839]\n", + " PeriodicSite: Li (7.432, 14.22, 4.307) [0.3659, 0.6998, 0.2121]\n", + " PeriodicSite: Li (4.078, 15.42, 12.29) [0.2008, 0.7594, 0.6051]\n", + " PeriodicSite: Li (16.97, 2.737, 0.07325) [0.8354, 0.1347, 0.003611]\n", + " PeriodicSite: Li (2.113, 6.457, 14.92) [0.104, 0.3179, 0.7344]\n", + " PeriodicSite: Li (4.696, 13.37, 7.978) [0.2312, 0.6583, 0.3928]\n", + " PeriodicSite: Li (14.66, 13.28, 10.03) [0.7217, 0.6538, 0.4939]\n", + " PeriodicSite: Li (16.83, 12.14, 5.369) [0.8284, 0.5975, 0.2643]\n", + " PeriodicSite: Li (5.712, 8.015, 16.11) [0.2812, 0.3946, 0.793]\n", + " PeriodicSite: Li (6.64, 16.34, 10.9) [0.3269, 0.8042, 0.5364]\n", + " PeriodicSite: Li (2.295, 19.7, 0.3929) [0.113, 0.9698, 0.01935]\n", + " PeriodicSite: Li (16.21, 9.845, 7.173) [0.798, 0.4847, 0.3531]\n", + " PeriodicSite: Li (3.206, 4.81, 18.32) [0.1578, 0.2368, 0.9019]\n", + " PeriodicSite: Li (16.97, 1.713, 4.718) [0.8353, 0.08433, 0.2323]\n", + " PeriodicSite: Li (19.81, 18.22, 19.05) [0.9755, 0.8971, 0.9378]\n", + " PeriodicSite: Li (6.153, 10.06, 7.197) [0.3029, 0.495, 0.3543]\n", + " PeriodicSite: Li (6.925, 4.868, 18.29) [0.3409, 0.2396, 0.9006]\n", + " PeriodicSite: Li (7.479, 19.7, 8.561) [0.3682, 0.9697, 0.4215]\n", + " PeriodicSite: Li (8.409, 16.18, 16.68) [0.414, 0.7967, 0.8213]\n", + " PeriodicSite: Li (18.37, 8.486, 9.843) [0.9046, 0.4178, 0.4846]\n", + " PeriodicSite: Li (18.66, 8.868, 19.66) [0.9187, 0.4366, 0.9677]\n", + " PeriodicSite: Li (17.68, 0.2451, 7.719) [0.8705, 0.01206, 0.38]\n", + " PeriodicSite: Li (18.82, 17.23, 15.8) [0.9265, 0.8484, 0.778]\n", + " PeriodicSite: Li (6.935, 5.798, 9.24) [0.3414, 0.2854, 0.4549]\n", + " PeriodicSite: Li (3.216, 2.35, 15.47) [0.1583, 0.1157, 0.7615]\n", + " PeriodicSite: Li (9.188, 17.77, 10.52) [0.4523, 0.8748, 0.5178]\n", + " PeriodicSite: Li (16.76, 11.28, 16.66) [0.8252, 0.5554, 0.8201]\n", + " PeriodicSite: Li (19.08, 9.973, 7.758) [0.9391, 0.491, 0.3819]\n", + " PeriodicSite: Li (17.22, 5.589, 18.96) [0.8476, 0.2752, 0.9334]\n", + " PeriodicSite: Li (16.32, 18.13, 9.862) [0.8036, 0.8927, 0.4855]\n", + " PeriodicSite: Li (14.85, 14.9, 18.06) [0.7311, 0.7337, 0.8889]\n", + " PeriodicSite: Li (9.351, 8.999, 8.008) [0.4603, 0.443, 0.3943]\n", + " PeriodicSite: Li (6.253, 3.968, 1.614) [0.3079, 0.1953, 0.07946]\n", + " PeriodicSite: Li (5.181, 17.08, 8.264) [0.255, 0.841, 0.4068]\n", + " PeriodicSite: Li (7.531, 14.49, 0.8768) [0.3708, 0.7136, 0.04317]\n", + " PeriodicSite: Li (15.28, 6.97, 8.366) [0.7521, 0.3431, 0.4119]\n", + " PeriodicSite: Li (20.14, 6.783, 16.98) [0.9914, 0.3339, 0.8359]\n", + " PeriodicSite: Li (15.66, 18.49, 6.562) [0.7711, 0.9103, 0.3231]\n", + " PeriodicSite: Li (15.26, 18.64, 17.29) [0.7514, 0.9177, 0.8513]\n", + " PeriodicSite: Li (6.786, 4.805, 12.02) [0.3341, 0.2366, 0.5919]\n", + " PeriodicSite: Li (5.23, 7.181, 18.62) [0.2575, 0.3535, 0.9164]\n", + " PeriodicSite: Li (9.669, 17.04, 7.207) [0.476, 0.8387, 0.3548]\n", + " PeriodicSite: Li (12.23, 19.41, 1.292) [0.602, 0.9556, 0.0636]\n", + " PeriodicSite: Li (16.96, 8.055, 5.425) [0.835, 0.3966, 0.2671]\n", + " PeriodicSite: Li (15.63, 7.193, 0.7801) [0.7694, 0.3541, 0.03841]\n", + " PeriodicSite: Li (19.73, 18.71, 9.089) [0.9715, 0.9209, 0.4475]\n", + " PeriodicSite: Li (18.19, 0.3196, 1.895) [0.8954, 0.01573, 0.09329]\n", + " PeriodicSite: Li (4.878, 9.352, 2.698) [0.2402, 0.4604, 0.1328]\n", + " PeriodicSite: Li (10.07, 8.393, 18.39) [0.496, 0.4132, 0.9053]\n", + " PeriodicSite: Li (7.42, 15.02, 8.398) [0.3653, 0.7394, 0.4135]\n", + " PeriodicSite: Li (6.568, 0.1601, 16.8) [0.3234, 0.00788, 0.8272]\n", + " PeriodicSite: Li (19.46, 6.189, 7.485) [0.958, 0.3047, 0.3685]\n", + " PeriodicSite: Li (18.93, 11.66, 0.9751) [0.9319, 0.5738, 0.04801]\n", + " PeriodicSite: Li (2.534, 16.94, 0.6134) [0.1248, 0.8338, 0.0302]\n", + " PeriodicSite: Li (15.23, 1.828, 13.9) [0.75, 0.08999, 0.6845]\n", + " PeriodicSite: Cl (7.479, 12.37, 12.84) [0.3682, 0.6089, 0.632]\n", + " PeriodicSite: Cl (2.4, 12.53, 17.4) [0.1182, 0.6169, 0.8567]\n", + " PeriodicSite: Cl (12.61, 17.85, 12.73) [0.6207, 0.8786, 0.627]\n", + " PeriodicSite: Cl (18.08, 7.534, 17.74) [0.8901, 0.3709, 0.8735]\n", + " PeriodicSite: Cl (7.57, 2.241, 2.721) [0.3727, 0.1103, 0.134]\n", + " PeriodicSite: Cl (7.484, 7.393, 7.474) [0.3685, 0.364, 0.368]\n", + " PeriodicSite: Cl (12.9, 13.01, 7.91) [0.6349, 0.6403, 0.3894]\n", + " PeriodicSite: Cl (2.885, 7.719, 2.545) [0.142, 0.38, 0.1253]\n", + " PeriodicSite: Cl (2.626, 7.403, 12.67) [0.1293, 0.3645, 0.6239]\n", + " PeriodicSite: Cl (13.15, 13.05, 17.62) [0.6474, 0.6426, 0.8672]\n", + " PeriodicSite: Cl (17.93, 18.09, 17.89) [0.8825, 0.8908, 0.8808]\n", + " PeriodicSite: Cl (2.571, 2.158, 7.109) [0.1266, 0.1063, 0.35]\n", + " PeriodicSite: Cl (12.34, 2.375, 17.73) [0.6073, 0.1169, 0.8729]\n", + " PeriodicSite: Cl (12.38, 7.961, 2.563) [0.6093, 0.3919, 0.1262]\n", + " PeriodicSite: Cl (17.73, 2.436, 13.18) [0.8727, 0.1199, 0.649]\n", + " PeriodicSite: Cl (7.449, 18.13, 17.71) [0.3667, 0.8926, 0.8719]\n", + " PeriodicSite: Cl (20.14, 0.0003646, 0.1953) [0.9914, 8.69e-06, 0.009622]\n", + " PeriodicSite: Cl (20.18, 0.06832, 10.6) [0.9935, 0.003355, 0.5219]\n", + " PeriodicSite: Cl (0.2031, 10.03, 0.2784) [0.009994, 0.494, 0.01371]\n", + " PeriodicSite: Cl (19.8, 10.54, 9.865) [0.9749, 0.519, 0.4857]\n", + " PeriodicSite: Cl (10.32, 20.17, 20.19) [0.508, 0.9929, 0.9938]\n", + " PeriodicSite: Cl (9.981, 20.02, 10.27) [0.4914, 0.9854, 0.5057]\n", + " PeriodicSite: Cl (10.3, 10.39, 20.09) [0.507, 0.5117, 0.9889]\n", + " PeriodicSite: Cl (9.937, 10.04, 10.23) [0.4892, 0.4942, 0.5037]\n", + " PeriodicSite: Cl (20.16, 5.079, 5.291) [0.9923, 0.25, 0.2605]\n", + " PeriodicSite: Cl (20.1, 5.13, 14.93) [0.9897, 0.2525, 0.735]\n", + " PeriodicSite: Cl (19.98, 14.7, 4.773) [0.9838, 0.7237, 0.235]\n", + " PeriodicSite: Cl (20.27, 15.46, 15.5) [0.9977, 0.7612, 0.7633]\n", + " PeriodicSite: Cl (10.27, 4.85, 4.86) [0.5056, 0.2388, 0.2393]\n", + " PeriodicSite: Cl (10.34, 5.069, 14.42) [0.5088, 0.2496, 0.7101]\n", + " PeriodicSite: Cl (10.15, 15.04, 5.162) [0.4995, 0.7404, 0.2541]\n", + " PeriodicSite: Cl (10.41, 15.27, 15.14) [0.5123, 0.7516, 0.7452]\n", + " PeriodicSite: S (4.794, 20.12, 5.257) [0.236, 0.9907, 0.2588]\n", + " PeriodicSite: S (4.813, 20.18, 15.29) [0.237, 0.9933, 0.7527]\n", + " PeriodicSite: S (4.856, 9.939, 5.094) [0.2391, 0.4893, 0.2508]\n", + " PeriodicSite: S (4.938, 10.38, 15.23) [0.2431, 0.5111, 0.75]\n", + " PeriodicSite: S (15.19, 0.1696, 5.215) [0.748, 0.008345, 0.2567]\n", + " PeriodicSite: S (14.86, 0.004641, 15.46) [0.7315, 0.0002229, 0.7609]\n", + " PeriodicSite: S (15.24, 10.05, 5.155) [0.75, 0.4946, 0.2538]\n", + " PeriodicSite: S (15.3, 10.57, 14.92) [0.7533, 0.5204, 0.7346]\n", + " PeriodicSite: S (5.4, 5.246, 20.03) [0.2659, 0.2583, 0.9859]\n", + " PeriodicSite: S (5.087, 4.682, 10.35) [0.2504, 0.2305, 0.5096]\n", + " PeriodicSite: S (5.108, 15.24, 20.3) [0.2515, 0.7501, 0.9996]\n", + " PeriodicSite: S (4.7, 15.16, 9.919) [0.2314, 0.7463, 0.4883]\n", + " PeriodicSite: S (15.5, 4.983, 0.06701) [0.7631, 0.2453, 0.003304]\n", + " PeriodicSite: S (15.0, 5.406, 9.99) [0.7383, 0.2661, 0.4918]\n", + " PeriodicSite: S (15.31, 14.92, 0.4291) [0.7537, 0.7346, 0.02113]\n", + " PeriodicSite: S (15.53, 15.44, 9.981) [0.7643, 0.7601, 0.4914]\n", + " PeriodicSite: S (8.687, 3.706, 8.647) [0.4277, 0.1825, 0.4257]\n", + " PeriodicSite: S (9.365, 4.193, 19.57) [0.461, 0.2064, 0.9634]\n", + " PeriodicSite: S (9.366, 13.52, 9.269) [0.4611, 0.6654, 0.4563]\n", + " PeriodicSite: S (8.742, 14.36, 18.93) [0.4304, 0.7067, 0.9319]\n", + " PeriodicSite: S (19.08, 4.101, 8.854) [0.9393, 0.2019, 0.4359]\n", + " PeriodicSite: S (19.26, 3.723, 19.45) [0.9482, 0.1833, 0.9576]\n", + " PeriodicSite: S (19.5, 14.12, 8.791) [0.9603, 0.695, 0.4328]\n", + " PeriodicSite: S (19.34, 13.62, 19.09) [0.9524, 0.6706, 0.9399]\n", + " PeriodicSite: S (4.069, 1.055, 1.018) [0.2003, 0.05193, 0.05013]\n", + " PeriodicSite: S (3.7, 0.9408, 11.53) [0.1822, 0.04631, 0.5674]\n", + " PeriodicSite: S (3.904, 11.38, 1.135) [0.1922, 0.5603, 0.05587]\n", + " PeriodicSite: S (3.858, 11.28, 11.35) [0.1899, 0.5553, 0.5589]\n", + " PeriodicSite: S (13.87, 1.131, 1.079) [0.6826, 0.05566, 0.05313]\n", + " PeriodicSite: S (13.91, 1.58, 11.71) [0.6848, 0.0778, 0.5765]\n", + " PeriodicSite: S (13.93, 11.16, 1.109) [0.6857, 0.5494, 0.05459]\n", + " PeriodicSite: S (14.0, 11.28, 11.33) [0.689, 0.5552, 0.5576]\n", + " PeriodicSite: S (5.667, 1.033, 8.768) [0.279, 0.05086, 0.4317]\n", + " PeriodicSite: S (6.568, 0.9557, 18.99) [0.3233, 0.04705, 0.9348]\n", + " PeriodicSite: S (6.528, 11.62, 9.151) [0.3214, 0.572, 0.4505]\n", + " PeriodicSite: S (6.144, 11.21, 18.76) [0.3025, 0.552, 0.9236]\n", + " PeriodicSite: S (16.25, 1.464, 9.388) [0.8001, 0.07207, 0.4622]\n", + " PeriodicSite: S (16.2, 1.165, 18.77) [0.7974, 0.05737, 0.9238]\n", + " PeriodicSite: S (16.29, 11.52, 8.927) [0.8022, 0.5673, 0.4395]\n", + " PeriodicSite: S (16.85, 11.35, 19.29) [0.8296, 0.5589, 0.9498]\n", + " PeriodicSite: S (1.577, 4.379, 1.298) [0.07763, 0.2156, 0.06389]\n", + " PeriodicSite: S (1.136, 3.75, 11.12) [0.05594, 0.1846, 0.5472]\n", + " PeriodicSite: S (0.8355, 13.97, 1.573) [0.04112, 0.6879, 0.07742]\n", + " PeriodicSite: S (0.9164, 14.29, 11.8) [0.04511, 0.7033, 0.5812]\n", + " PeriodicSite: S (11.64, 4.1, 1.598) [0.5732, 0.2018, 0.07869]\n", + " PeriodicSite: S (11.11, 3.609, 10.81) [0.5471, 0.1777, 0.5319]\n", + " PeriodicSite: S (11.28, 14.13, 0.7675) [0.5553, 0.6955, 0.03779]\n", + " PeriodicSite: S (11.89, 14.13, 11.32) [0.5854, 0.6958, 0.5573]\n", + " PeriodicSite: S (2.749, 2.503, 17.94) [0.1353, 0.1232, 0.8833]\n", + " PeriodicSite: S (2.613, 12.5, 7.692) [0.1286, 0.6152, 0.3787]\n", + " PeriodicSite: S (12.99, 2.438, 7.817) [0.6395, 0.12, 0.3848]\n", + " PeriodicSite: S (8.939, 9.409, 3.571) [0.4401, 0.4632, 0.1758]\n", + " PeriodicSite: S (9.074, 9.209, 13.97) [0.4467, 0.4534, 0.6879]\n", + " PeriodicSite: S (8.475, 19.26, 4.399) [0.4172, 0.948, 0.2166]\n", + " PeriodicSite: S (8.385, 19.1, 14.06) [0.4128, 0.9404, 0.692]\n", + " PeriodicSite: S (19.01, 8.845, 3.92) [0.9359, 0.4354, 0.193]\n", + " PeriodicSite: S (18.9, 8.756, 13.86) [0.9305, 0.4311, 0.6822]\n", + " PeriodicSite: S (18.87, 19.04, 3.865) [0.9288, 0.9375, 0.1903]\n", + " PeriodicSite: S (19.19, 19.64, 14.25) [0.9446, 0.967, 0.7014]\n", + " PeriodicSite: S (3.809, 6.083, 5.907) [0.1875, 0.2995, 0.2908]\n", + " PeriodicSite: S (4.004, 6.468, 16.35) [0.1971, 0.3184, 0.805]\n", + " PeriodicSite: S (3.611, 16.45, 6.316) [0.1778, 0.8101, 0.3109]\n", + " PeriodicSite: S (3.903, 16.17, 16.48) [0.1922, 0.7961, 0.8114]\n", + " PeriodicSite: S (14.0, 5.767, 6.396) [0.6893, 0.2839, 0.3149]\n", + " PeriodicSite: S (13.72, 6.361, 16.37) [0.6755, 0.3132, 0.8062]\n", + " PeriodicSite: S (13.88, 16.51, 6.326) [0.6833, 0.8127, 0.3115]\n", + " PeriodicSite: S (14.36, 16.59, 16.29) [0.7068, 0.8168, 0.802]\n", + " PeriodicSite: S (6.769, 5.762, 4.139) [0.3332, 0.2837, 0.2038]\n", + " PeriodicSite: S (6.404, 6.396, 14.1) [0.3153, 0.3149, 0.694]\n", + " PeriodicSite: S (6.241, 16.41, 4.212) [0.3072, 0.8077, 0.2074]\n", + " PeriodicSite: S (6.034, 16.49, 13.89) [0.297, 0.8116, 0.6839]\n", + " PeriodicSite: S (16.17, 6.21, 3.706) [0.7961, 0.3057, 0.1825]\n", + " PeriodicSite: S (16.23, 6.296, 14.11) [0.7989, 0.31, 0.6945]\n", + " PeriodicSite: S (16.43, 16.62, 4.297) [0.8088, 0.8183, 0.2116]\n", + " PeriodicSite: S (16.74, 16.41, 13.84) [0.8242, 0.8077, 0.6813]\n", + " PeriodicSite: S (0.8052, 9.082, 6.414) [0.03964, 0.4471, 0.3158]\n", + " PeriodicSite: S (1.175, 8.48, 15.97) [0.05783, 0.4175, 0.7862]\n", + " PeriodicSite: S (0.8353, 18.97, 6.333) [0.04112, 0.9337, 0.3118]\n", + " PeriodicSite: S (1.113, 18.96, 16.61) [0.05479, 0.9332, 0.818]\n", + " PeriodicSite: S (11.01, 8.912, 6.145) [0.5422, 0.4388, 0.3025]\n", + " PeriodicSite: S (11.57, 9.193, 16.32) [0.5695, 0.4526, 0.8037]\n", + " PeriodicSite: S (11.22, 18.68, 6.502) [0.5524, 0.9196, 0.3201]\n", + " PeriodicSite: S (10.63, 19.06, 16.37) [0.5235, 0.9385, 0.8057]\n", + " PeriodicSite: S (2.509, 18.07, 2.661) [0.1235, 0.8898, 0.131]\n", + " PeriodicSite: S (2.424, 18.07, 12.93) [0.1193, 0.8897, 0.6367]\n", + " PeriodicSite: S (12.67, 7.819, 12.45) [0.6239, 0.3849, 0.6129]\n", + " PeriodicSite: S (13.01, 17.88, 2.84) [0.6404, 0.8801, 0.1398]\n", + " PeriodicSite: S (4.087, 4.038, 3.195) [0.2012, 0.1988, 0.1573]\n", + " PeriodicSite: S (3.673, 4.19, 14.12) [0.1808, 0.2063, 0.6954]\n", + " PeriodicSite: S (3.619, 14.16, 3.743) [0.1782, 0.697, 0.1843]\n", + " PeriodicSite: S (4.014, 13.96, 14.06) [0.1976, 0.6871, 0.6922]\n", + " PeriodicSite: S (13.83, 3.727, 3.793) [0.6807, 0.1835, 0.1867]\n", + " PeriodicSite: S (14.0, 3.846, 14.18) [0.689, 0.1893, 0.6981]\n", + " PeriodicSite: S (13.96, 14.2, 4.056) [0.6874, 0.6991, 0.1997]\n", + " PeriodicSite: S (14.33, 14.18, 14.15) [0.7056, 0.6981, 0.6967]\n", + " PeriodicSite: S (8.974, 0.9514, 7.092) [0.4418, 0.04683, 0.3491]\n", + " PeriodicSite: S (8.431, 1.63, 16.07) [0.4151, 0.08025, 0.7913]\n", + " PeriodicSite: S (8.748, 11.11, 6.346) [0.4306, 0.5471, 0.3124]\n", + " PeriodicSite: S (9.35, 11.56, 16.3) [0.4603, 0.569, 0.8025]\n", + " PeriodicSite: S (19.08, 1.174, 6.071) [0.9394, 0.0578, 0.2989]\n", + " PeriodicSite: S (19.3, 1.21, 16.85) [0.95, 0.05956, 0.8298]\n", + " PeriodicSite: S (18.85, 11.47, 6.168) [0.9282, 0.5645, 0.3036]\n", + " PeriodicSite: S (19.21, 11.27, 16.15) [0.9458, 0.5548, 0.7951]\n", + " PeriodicSite: S (1.196, 0.9585, 3.684) [0.05889, 0.04719, 0.1814]\n", + " PeriodicSite: S (1.343, 1.174, 14.44) [0.0661, 0.05779, 0.7107]\n", + " PeriodicSite: S (1.156, 11.32, 4.089) [0.05692, 0.5573, 0.2013]\n", + " PeriodicSite: S (1.293, 10.78, 13.64) [0.06367, 0.5309, 0.6715]\n", + " PeriodicSite: S (11.24, 0.8285, 4.366) [0.5532, 0.04078, 0.215]\n", + " PeriodicSite: S (10.96, 1.017, 14.0) [0.5396, 0.05004, 0.6893]\n", + " PeriodicSite: S (11.41, 11.53, 4.08) [0.5617, 0.5676, 0.2009]\n", + " PeriodicSite: S (11.61, 11.5, 13.98) [0.5714, 0.5659, 0.6885]\n", + " PeriodicSite: S (5.757, 3.451, 6.345) [0.2834, 0.1699, 0.3124]\n", + " PeriodicSite: S (6.413, 3.757, 16.16) [0.3157, 0.1849, 0.7955]\n", + " PeriodicSite: S (5.863, 13.61, 6.085) [0.2886, 0.6702, 0.2996]\n", + " PeriodicSite: S (6.652, 14.31, 16.4) [0.3275, 0.7045, 0.8072]\n", + " PeriodicSite: S (16.49, 3.811, 5.94) [0.8117, 0.1876, 0.2925]\n", + " PeriodicSite: S (16.23, 3.972, 16.58) [0.7991, 0.1955, 0.8164]\n", + " PeriodicSite: S (16.09, 13.89, 6.62) [0.7921, 0.6836, 0.3259]\n", + " PeriodicSite: S (16.8, 14.39, 16.5) [0.8271, 0.7083, 0.8123]\n", + " PeriodicSite: S (7.23, 2.645, 12.57) [0.3559, 0.1302, 0.6189]\n", + " PeriodicSite: S (7.574, 12.85, 2.473) [0.3729, 0.6326, 0.1218]\n", + " PeriodicSite: S (17.57, 2.597, 2.391) [0.8651, 0.1278, 0.1177]\n", + " PeriodicSite: S (17.6, 12.67, 2.775) [0.8665, 0.6235, 0.1366]\n", + " PeriodicSite: S (17.92, 12.76, 12.73) [0.8822, 0.6281, 0.6267]\n", + " PeriodicSite: S (4.411, 9.267, 8.788) [0.2172, 0.4562, 0.4327]\n", + " PeriodicSite: S (3.852, 8.88, 19.38) [0.1896, 0.4372, 0.9539]\n", + " PeriodicSite: S (3.525, 18.83, 8.966) [0.1735, 0.9272, 0.4414]\n", + " PeriodicSite: S (3.978, 18.91, 19.14) [0.1958, 0.9312, 0.9424]\n", + " PeriodicSite: S (14.1, 9.03, 8.805) [0.6939, 0.4445, 0.4335]\n", + " PeriodicSite: S (14.6, 8.704, 19.15) [0.7188, 0.4285, 0.9427]\n", + " PeriodicSite: S (14.21, 19.25, 9.218) [0.6997, 0.9479, 0.4538]\n", + " PeriodicSite: S (13.98, 18.8, 19.21) [0.6883, 0.9257, 0.9456]\n", + " PeriodicSite: S (9.25, 6.122, 1.819) [0.4554, 0.3014, 0.08955]\n", + " PeriodicSite: S (8.811, 5.878, 11.13) [0.4338, 0.2894, 0.5479]\n", + " PeriodicSite: S (9.019, 16.63, 1.016) [0.444, 0.8189, 0.05001]\n", + " PeriodicSite: S (8.942, 15.75, 11.72) [0.4402, 0.7754, 0.5768]\n", + " PeriodicSite: S (19.03, 6.663, 1.01) [0.9367, 0.328, 0.04974]\n", + " PeriodicSite: S (19.25, 6.45, 11.07) [0.9478, 0.3175, 0.5448]\n", + " PeriodicSite: S (18.77, 16.23, 0.8864) [0.9239, 0.799, 0.04365]\n", + " PeriodicSite: S (18.9, 16.74, 10.94) [0.9303, 0.8242, 0.5386]\n", + " PeriodicSite: S (1.556, 6.259, 8.897) [0.0766, 0.3081, 0.438]\n", + " PeriodicSite: S (1.091, 6.533, 19.05) [0.05372, 0.3216, 0.9381]\n", + " PeriodicSite: S (1.44, 16.72, 9.322) [0.07087, 0.8232, 0.4589]\n", + " PeriodicSite: S (1.203, 16.22, 19.17) [0.05923, 0.7987, 0.9436]\n", + " PeriodicSite: S (10.95, 6.202, 8.54) [0.539, 0.3053, 0.4204]\n", + " PeriodicSite: S (11.55, 6.716, 19.62) [0.5688, 0.3306, 0.9658]\n", + " PeriodicSite: S (11.0, 16.37, 8.957) [0.5414, 0.8061, 0.441]\n", + " PeriodicSite: S (11.52, 16.71, 18.98) [0.5673, 0.8228, 0.9344]\n", + " PeriodicSite: S (6.478, 9.148, 1.166) [0.3189, 0.4504, 0.05741]\n", + " PeriodicSite: S (6.355, 9.116, 11.53) [0.3129, 0.4488, 0.5679]\n", + " PeriodicSite: S (6.592, 19.04, 1.083) [0.3245, 0.9372, 0.05331]\n", + " PeriodicSite: S (6.145, 19.01, 11.07) [0.3025, 0.9358, 0.5452]\n", + " PeriodicSite: S (16.7, 9.207, 1.405) [0.8219, 0.4533, 0.06917]\n", + " PeriodicSite: S (16.4, 8.95, 11.33) [0.8075, 0.4406, 0.5579]\n", + " PeriodicSite: S (16.48, 19.29, 0.8983) [0.8114, 0.9498, 0.04423]\n", + " PeriodicSite: S (16.35, 19.5, 11.68) [0.8052, 0.9601, 0.5751]\n", + " PeriodicSite: S (7.496, 7.655, 17.78) [0.3691, 0.3769, 0.8752]\n", + " PeriodicSite: S (7.502, 17.31, 8.304) [0.3693, 0.8521, 0.4088]\n", + " PeriodicSite: S (17.55, 7.748, 7.758) [0.8639, 0.3814, 0.3819]\n", + " PeriodicSite: S (17.58, 18.25, 7.911) [0.8653, 0.8986, 0.3894]\n", + " PeriodicSite: P (5.334, 20.15, 20.18) [0.2626, 0.9918, 0.9934]\n", + " PeriodicSite: P (4.714, 20.07, 10.08) [0.232, 0.9881, 0.4963]\n", + " PeriodicSite: P (5.209, 10.23, 20.3) [0.2565, 0.5038, 0.9992]\n", + " PeriodicSite: P (5.266, 10.31, 10.21) [0.2593, 0.5076, 0.5027]\n", + " PeriodicSite: P (15.17, 0.06626, 20.12) [0.7467, 0.003257, 0.9904]\n", + " PeriodicSite: P (15.14, 0.2248, 10.52) [0.7452, 0.01106, 0.518]\n", + " PeriodicSite: P (15.58, 10.16, 20.26) [0.767, 0.5001, 0.9973]\n", + " PeriodicSite: P (15.2, 10.14, 10.03) [0.7483, 0.4994, 0.4939]\n", + " PeriodicSite: P (5.087, 4.904, 4.845) [0.2505, 0.2414, 0.2385]\n", + " PeriodicSite: P (5.28, 5.138, 15.17) [0.26, 0.2529, 0.7469]\n", + " PeriodicSite: P (4.906, 15.14, 5.171) [0.2415, 0.7454, 0.2546]\n", + " PeriodicSite: P (5.26, 15.19, 15.23) [0.2589, 0.7478, 0.7499]\n", + " PeriodicSite: P (15.11, 4.868, 4.942) [0.744, 0.2396, 0.2433]\n", + " PeriodicSite: P (15.03, 5.102, 15.41) [0.7398, 0.2512, 0.7588]\n", + " PeriodicSite: P (15.08, 15.21, 5.35) [0.7422, 0.7488, 0.2634]\n", + " PeriodicSite: P (15.64, 15.34, 15.23) [0.7699, 0.7553, 0.7499]\n", + " PeriodicSite: P (20.28, 20.2, 4.931) [0.9984, 0.9944, 0.2428]\n", + " PeriodicSite: P (0.06459, 0.1126, 15.69) [0.003184, 0.005545, 0.7726]\n", + " PeriodicSite: P (20.06, 10.22, 5.06) [0.9875, 0.503, 0.2491]\n", + " PeriodicSite: P (20.25, 9.815, 14.94) [0.9972, 0.4832, 0.7354]\n", + " PeriodicSite: P (9.906, 20.09, 5.562) [0.4877, 0.9892, 0.2738]\n", + " PeriodicSite: P (9.506, 0.0874, 15.23) [0.468, 0.0043, 0.7496]\n", + " PeriodicSite: P (10.04, 10.34, 5.07) [0.494, 0.5092, 0.2496]\n", + " PeriodicSite: P (10.4, 10.38, 15.12) [0.5121, 0.5109, 0.7441]\n", + " PeriodicSite: P (0.03348, 5.412, 20.3) [0.001652, 0.2664, 0.9994]\n", + " PeriodicSite: P (0.173, 5.113, 9.914) [0.008519, 0.2517, 0.4881]\n", + " PeriodicSite: P (20.15, 15.01, 0.04961) [0.9922, 0.739, 0.002449]\n", + " PeriodicSite: P (0.06938, 15.46, 10.05) [0.003411, 0.7613, 0.4949]\n", + " PeriodicSite: P (10.47, 5.294, 0.3963) [0.5157, 0.2606, 0.01951]\n", + " PeriodicSite: P (9.888, 4.971, 9.74) [0.4868, 0.2447, 0.4795]\n", + " PeriodicSite: P (10.14, 15.56, 20.02) [0.499, 0.7662, 0.9856]\n", + " PeriodicSite: P (10.26, 14.95, 10.28) [0.5052, 0.7361, 0.5059],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.185, 5.031, 3.962) [0.1076, 0.2477, 0.195]\n", + " PeriodicSite: Li (20.19, 3.378, 13.62) [0.994, 0.1663, 0.6706]\n", + " PeriodicSite: Li (0.5158, 13.07, 6.395) [0.02539, 0.6433, 0.3148]\n", + " PeriodicSite: Li (0.3754, 13.65, 17.25) [0.01848, 0.6722, 0.8493]\n", + " PeriodicSite: Li (14.19, 0.9146, 7.545) [0.6985, 0.04502, 0.3715]\n", + " PeriodicSite: Li (11.81, 3.184, 15.15) [0.5815, 0.1567, 0.7457]\n", + " PeriodicSite: Li (13.54, 10.25, 3.618) [0.6664, 0.5048, 0.1781]\n", + " PeriodicSite: Li (16.81, 8.489, 15.39) [0.8277, 0.4179, 0.7578]\n", + " PeriodicSite: Li (4.222, 4.297, 8.044) [0.2079, 0.2116, 0.396]\n", + " PeriodicSite: Li (2.274, 2.884, 20.22) [0.112, 0.142, 0.9955]\n", + " PeriodicSite: Li (2.777, 8.373, 5.244) [0.1367, 0.4122, 0.2581]\n", + " PeriodicSite: Li (7.167, 9.969, 17.14) [0.3529, 0.4908, 0.8437]\n", + " PeriodicSite: Li (11.84, 4.858, 6.489) [0.5828, 0.2392, 0.3195]\n", + " PeriodicSite: Li (11.87, 0.2059, 17.71) [0.5844, 0.01013, 0.8717]\n", + " PeriodicSite: Li (10.62, 7.843, 12.03) [0.5226, 0.3861, 0.5923]\n", + " PeriodicSite: Li (9.388, 18.28, 19.34) [0.4622, 0.9, 0.9519]\n", + " PeriodicSite: Li (6.379, 0.6604, 5.996) [0.314, 0.03251, 0.2952]\n", + " PeriodicSite: Li (4.288, 19.38, 13.06) [0.2111, 0.9539, 0.643]\n", + " PeriodicSite: Li (3.188, 10.35, 7.191) [0.157, 0.5097, 0.354]\n", + " PeriodicSite: Li (7.301, 9.979, 13.59) [0.3594, 0.4913, 0.6689]\n", + " PeriodicSite: Li (11.6, 0.3754, 8.085) [0.5709, 0.01848, 0.398]\n", + " PeriodicSite: Li (10.52, 2.086, 19.48) [0.5181, 0.1027, 0.9589]\n", + " PeriodicSite: Li (13.43, 15.58, 8.975) [0.6611, 0.767, 0.4419]\n", + " PeriodicSite: Li (12.77, 9.34, 0.2363) [0.6288, 0.4598, 0.01164]\n", + " PeriodicSite: Li (0.5132, 3.362, 6.699) [0.02527, 0.1655, 0.3298]\n", + " PeriodicSite: Li (0.7351, 2.707, 17.85) [0.03619, 0.1333, 0.8787]\n", + " PeriodicSite: Li (2.277, 14.68, 7.861) [0.1121, 0.7226, 0.387]\n", + " PeriodicSite: Li (3.128, 15.16, 18.43) [0.154, 0.7464, 0.9073]\n", + " PeriodicSite: Li (12.94, 1.848, 5.13) [0.637, 0.09097, 0.2525]\n", + " PeriodicSite: Li (14.78, 2.031, 16.53) [0.7276, 0.1, 0.814]\n", + " PeriodicSite: Li (11.7, 11.78, 10.11) [0.5761, 0.5801, 0.4977]\n", + " PeriodicSite: Li (16.6, 17.08, 19.89) [0.8173, 0.8409, 0.9792]\n", + " PeriodicSite: Li (5.908, 0.9571, 3.066) [0.2909, 0.04712, 0.151]\n", + " PeriodicSite: Li (0.7505, 19.11, 2.597) [0.03694, 0.9407, 0.1278]\n", + " PeriodicSite: Li (2.996, 13.51, 10.19) [0.1475, 0.665, 0.5016]\n", + " PeriodicSite: Li (2.252, 15.73, 14.45) [0.1109, 0.7743, 0.7116]\n", + " PeriodicSite: Li (15.21, 3.742, 8.286) [0.7486, 0.1842, 0.4079]\n", + " PeriodicSite: Li (14.12, 5.799, 18.59) [0.6954, 0.2855, 0.9151]\n", + " PeriodicSite: Li (16.99, 15.71, 8.072) [0.8366, 0.7734, 0.3974]\n", + " PeriodicSite: Li (10.79, 12.51, 18.93) [0.5312, 0.6161, 0.9319]\n", + " PeriodicSite: Li (3.566, 2.136, 5.024) [0.1755, 0.1051, 0.2473]\n", + " PeriodicSite: Li (3.105, 0.406, 17.47) [0.1529, 0.01999, 0.8598]\n", + " PeriodicSite: Li (3.555, 12.34, 5.514) [0.175, 0.6077, 0.2715]\n", + " PeriodicSite: Li (18.31, 14.7, 3.134) [0.9016, 0.7239, 0.1543]\n", + " PeriodicSite: Li (10.28, 2.593, 8.056) [0.5059, 0.1277, 0.3966]\n", + " PeriodicSite: Li (17.21, 0.2219, 16.51) [0.8472, 0.01092, 0.8126]\n", + " PeriodicSite: Li (14.6, 12.18, 6.583) [0.7189, 0.5994, 0.3241]\n", + " PeriodicSite: Li (14.0, 8.936, 16.73) [0.6891, 0.4399, 0.8235]\n", + " PeriodicSite: Li (3.141, 12.18, 15.69) [0.1546, 0.5998, 0.7724]\n", + " PeriodicSite: Li (1.591, 10.86, 9.616) [0.07831, 0.5346, 0.4734]\n", + " PeriodicSite: Li (1.706, 15.66, 3.352) [0.08399, 0.7708, 0.165]\n", + " PeriodicSite: Li (1.028, 2.166, 10.04) [0.05061, 0.1066, 0.4943]\n", + " PeriodicSite: Li (12.14, 5.851, 3.206) [0.5979, 0.288, 0.1579]\n", + " PeriodicSite: Li (12.14, 6.798, 14.79) [0.5979, 0.3347, 0.728]\n", + " PeriodicSite: Li (11.04, 13.27, 6.932) [0.5437, 0.6534, 0.3413]\n", + " PeriodicSite: Li (12.55, 19.07, 14.82) [0.6177, 0.9386, 0.7298]\n", + " PeriodicSite: Li (3.84, 6.348, 1.054) [0.189, 0.3125, 0.05189]\n", + " PeriodicSite: Li (2.82, 5.612, 11.72) [0.1388, 0.2763, 0.577]\n", + " PeriodicSite: Li (5.689, 17.06, 19.01) [0.2801, 0.8397, 0.9358]\n", + " PeriodicSite: Li (2.609, 19.03, 14.86) [0.1284, 0.937, 0.7317]\n", + " PeriodicSite: Li (13.85, 2.919, 19.28) [0.6817, 0.1437, 0.949]\n", + " PeriodicSite: Li (12.18, 5.056, 12.38) [0.5997, 0.2489, 0.6097]\n", + " PeriodicSite: Li (12.04, 16.41, 4.3) [0.5927, 0.808, 0.2117]\n", + " PeriodicSite: Li (10.12, 17.31, 13.32) [0.4981, 0.8521, 0.6559]\n", + " PeriodicSite: Li (4.408, 10.56, 17.36) [0.217, 0.5197, 0.8548]\n", + " PeriodicSite: Li (4.863, 7.43, 10.5) [0.2394, 0.3658, 0.517]\n", + " PeriodicSite: Li (4.854, 17.28, 1.897) [0.239, 0.8509, 0.09338]\n", + " PeriodicSite: Li (2.634, 16.71, 10.62) [0.1297, 0.8228, 0.523]\n", + " PeriodicSite: Li (10.51, 8.83, 1.853) [0.5176, 0.4347, 0.09124]\n", + " PeriodicSite: Li (15.33, 6.876, 12.01) [0.7547, 0.3385, 0.5915]\n", + " PeriodicSite: Li (10.59, 18.75, 2.983) [0.5214, 0.9233, 0.1469]\n", + " PeriodicSite: Li (13.5, 15.37, 11.85) [0.6646, 0.7566, 0.5835]\n", + " PeriodicSite: Li (1.578, 8.608, 0.9589) [0.07769, 0.4238, 0.04721]\n", + " PeriodicSite: Li (17.41, 5.757, 9.444) [0.857, 0.2834, 0.465]\n", + " PeriodicSite: Li (3.064, 18.13, 5.045) [0.1508, 0.8925, 0.2484]\n", + " PeriodicSite: Li (1.309, 19.8, 12.34) [0.06446, 0.9747, 0.6073]\n", + " PeriodicSite: Li (9.403, 7.198, 5.587) [0.4629, 0.3543, 0.2751]\n", + " PeriodicSite: Li (13.79, 11.84, 15.62) [0.6788, 0.5831, 0.769]\n", + " PeriodicSite: Li (15.02, 16.38, 2.569) [0.7393, 0.8063, 0.1265]\n", + " PeriodicSite: Li (12.23, 15.6, 15.98) [0.6019, 0.7679, 0.7865]\n", + " PeriodicSite: Li (5.8, 7.77, 5.647) [0.2855, 0.3825, 0.278]\n", + " PeriodicSite: Li (19.94, 12.44, 12.92) [0.9815, 0.6125, 0.6361]\n", + " PeriodicSite: Li (18.48, 17.48, 5.419) [0.9097, 0.8606, 0.2668]\n", + " PeriodicSite: Li (5.512, 18.38, 15.6) [0.2713, 0.9048, 0.7682]\n", + " PeriodicSite: Li (17.0, 10.59, 3.322) [0.8369, 0.5214, 0.1635]\n", + " PeriodicSite: Li (13.05, 6.951, 10.39) [0.6426, 0.3422, 0.5115]\n", + " PeriodicSite: Li (12.84, 16.29, 0.4976) [0.632, 0.8021, 0.0245]\n", + " PeriodicSite: Li (12.08, 18.34, 10.81) [0.5945, 0.9028, 0.532]\n", + " PeriodicSite: Li (5.155, 3.445, 18.37) [0.2538, 0.1696, 0.9045]\n", + " PeriodicSite: Li (3.685, 9.759, 13.57) [0.1814, 0.4804, 0.6678]\n", + " PeriodicSite: Li (3.63, 19.86, 2.803) [0.1787, 0.9775, 0.138]\n", + " PeriodicSite: Li (0.1199, 16.99, 12.72) [0.005899, 0.8363, 0.6263]\n", + " PeriodicSite: Li (13.89, 8.906, 6.35) [0.6838, 0.4385, 0.3126]\n", + " PeriodicSite: Li (13.72, 9.328, 12.93) [0.6753, 0.4592, 0.6365]\n", + " PeriodicSite: Li (12.79, 19.27, 4.908) [0.6299, 0.9486, 0.2416]\n", + " PeriodicSite: Li (18.01, 4.313, 14.98) [0.8867, 0.2123, 0.7373]\n", + " PeriodicSite: Li (9.354, 4.173, 2.406) [0.4605, 0.2054, 0.1185]\n", + " PeriodicSite: Li (9.798, 2.223, 12.48) [0.4824, 0.1094, 0.6146]\n", + " PeriodicSite: Li (7.379, 11.3, 4.261) [0.3633, 0.5564, 0.2098]\n", + " PeriodicSite: Li (5.886, 12.55, 14.48) [0.2898, 0.6178, 0.7128]\n", + " PeriodicSite: Li (18.09, 4.813, 5.065) [0.8907, 0.2369, 0.2494]\n", + " PeriodicSite: Li (12.69, 3.797, 9.354) [0.6246, 0.1869, 0.4605]\n", + " PeriodicSite: Li (20.06, 12.48, 3.001) [0.9877, 0.6142, 0.1477]\n", + " PeriodicSite: Li (17.26, 10.51, 13.13) [0.8499, 0.5174, 0.6466]\n", + " PeriodicSite: Li (6.722, 17.79, 5.736) [0.3309, 0.876, 0.2824]\n", + " PeriodicSite: Li (7.973, 3.952, 14.42) [0.3925, 0.1945, 0.7097]\n", + " PeriodicSite: Li (5.831, 13.78, 18.49) [0.2871, 0.6786, 0.9103]\n", + " PeriodicSite: Li (10.19, 13.19, 14.53) [0.5015, 0.6494, 0.7155]\n", + " PeriodicSite: Li (14.24, 20.2, 3.03) [0.7013, 0.9947, 0.1492]\n", + " PeriodicSite: Li (18.54, 0.5042, 12.13) [0.9126, 0.02482, 0.5972]\n", + " PeriodicSite: Li (17.22, 13.97, 20.19) [0.8477, 0.6876, 0.9938]\n", + " PeriodicSite: Li (16.87, 15.21, 11.95) [0.8305, 0.7486, 0.5882]\n", + " PeriodicSite: Li (8.02, 4.357, 6.233) [0.3948, 0.2145, 0.3069]\n", + " PeriodicSite: Li (7.525, 0.1045, 12.16) [0.3704, 0.005141, 0.5987]\n", + " PeriodicSite: Li (9.993, 12.45, 2.623) [0.492, 0.6128, 0.1291]\n", + " PeriodicSite: Li (5.553, 13.5, 11.54) [0.2734, 0.6644, 0.5683]\n", + " PeriodicSite: Li (20.14, 1.9, 2.007) [0.9917, 0.09354, 0.0988]\n", + " PeriodicSite: Li (0.3043, 8.054, 12.5) [0.01498, 0.3965, 0.6154]\n", + " PeriodicSite: Li (15.21, 13.36, 2.14) [0.749, 0.6575, 0.1054]\n", + " PeriodicSite: Li (15.42, 12.23, 12.85) [0.7593, 0.6022, 0.6326]\n", + " PeriodicSite: Li (3.208, 0.2152, 7.158) [0.1579, 0.01059, 0.3524]\n", + " PeriodicSite: Li (6.647, 1.541, 14.58) [0.3273, 0.07584, 0.7177]\n", + " PeriodicSite: Li (5.079, 13.62, 1.62) [0.25, 0.6703, 0.07976]\n", + " PeriodicSite: Li (8.767, 7.175, 15.34) [0.4316, 0.3532, 0.755]\n", + " PeriodicSite: Li (17.24, 4.45, 2.176) [0.8487, 0.2191, 0.1072]\n", + " PeriodicSite: Li (15.76, 18.55, 13.84) [0.776, 0.9131, 0.6815]\n", + " PeriodicSite: Li (13.6, 13.1, 19.91) [0.6698, 0.645, 0.9799]\n", + " PeriodicSite: Li (18.37, 12.35, 10.17) [0.9042, 0.608, 0.5008]\n", + " PeriodicSite: Li (7.281, 7.028, 20.31) [0.3585, 0.346, 0.9997]\n", + " PeriodicSite: Li (4.57, 2.898, 12.04) [0.225, 0.1427, 0.5927]\n", + " PeriodicSite: Li (7.798, 11.07, 1.27) [0.3839, 0.5449, 0.06254]\n", + " PeriodicSite: Li (8.444, 11.31, 10.97) [0.4157, 0.5566, 0.54]\n", + " PeriodicSite: Li (15.09, 2.981, 1.866) [0.743, 0.1467, 0.09188]\n", + " PeriodicSite: Li (15.93, 3.144, 11.25) [0.7841, 0.1548, 0.5538]\n", + " PeriodicSite: Li (2.027, 12.02, 20.2) [0.09978, 0.5918, 0.9946]\n", + " PeriodicSite: Li (18.2, 14.42, 14.34) [0.8961, 0.71, 0.7062]\n", + " PeriodicSite: Li (8.049, 0.7979, 0.8474) [0.3963, 0.03928, 0.04172]\n", + " PeriodicSite: Li (6.592, 3.198, 9.982) [0.3245, 0.1574, 0.4914]\n", + " PeriodicSite: Li (7.698, 14.48, 4.085) [0.379, 0.7128, 0.2011]\n", + " PeriodicSite: Li (3.999, 16.01, 12.53) [0.1969, 0.788, 0.6167]\n", + " PeriodicSite: Li (17.28, 2.804, 0.1638) [0.8505, 0.138, 0.008068]\n", + " PeriodicSite: Li (1.986, 6.651, 15.45) [0.09775, 0.3275, 0.7605]\n", + " PeriodicSite: Li (4.7, 13.46, 8.437) [0.2314, 0.6627, 0.4154]\n", + " PeriodicSite: Li (14.98, 13.47, 9.637) [0.7373, 0.6629, 0.4744]\n", + " PeriodicSite: Li (17.1, 12.66, 4.727) [0.8419, 0.6235, 0.2327]\n", + " PeriodicSite: Li (5.752, 7.944, 15.85) [0.2832, 0.3911, 0.7805]\n", + " PeriodicSite: Li (6.808, 16.54, 10.19) [0.3352, 0.8142, 0.5019]\n", + " PeriodicSite: Li (2.427, 19.62, 0.436) [0.1195, 0.9658, 0.02147]\n", + " PeriodicSite: Li (16.51, 9.594, 7.35) [0.8126, 0.4723, 0.3618]\n", + " PeriodicSite: Li (3.05, 4.899, 19.06) [0.1502, 0.2412, 0.9383]\n", + " PeriodicSite: Li (16.98, 1.288, 4.524) [0.8359, 0.06342, 0.2227]\n", + " PeriodicSite: Li (19.67, 18.07, 19.52) [0.9685, 0.8898, 0.9608]\n", + " PeriodicSite: Li (6.283, 10.87, 7.082) [0.3093, 0.535, 0.3486]\n", + " PeriodicSite: Li (7.566, 5.344, 17.63) [0.3725, 0.2631, 0.868]\n", + " PeriodicSite: Li (8.208, 20.12, 8.496) [0.4041, 0.9906, 0.4183]\n", + " PeriodicSite: Li (8.276, 16.06, 16.23) [0.4074, 0.7909, 0.7992]\n", + " PeriodicSite: Li (18.59, 8.168, 9.809) [0.9152, 0.4021, 0.4829]\n", + " PeriodicSite: Li (18.85, 8.479, 19.77) [0.9282, 0.4174, 0.9733]\n", + " PeriodicSite: Li (17.37, 20.18, 6.942) [0.8549, 0.9936, 0.3418]\n", + " PeriodicSite: Li (19.37, 17.31, 16.15) [0.9534, 0.8522, 0.7953]\n", + " PeriodicSite: Li (6.879, 6.027, 9.045) [0.3387, 0.2967, 0.4453]\n", + " PeriodicSite: Li (3.505, 2.409, 15.59) [0.1726, 0.1186, 0.7675]\n", + " PeriodicSite: Li (9.331, 17.54, 9.632) [0.4594, 0.8634, 0.4742]\n", + " PeriodicSite: Li (16.83, 11.84, 16.59) [0.8285, 0.5827, 0.8169]\n", + " PeriodicSite: Li (19.14, 9.742, 7.518) [0.9425, 0.4796, 0.3701]\n", + " PeriodicSite: Li (16.91, 5.248, 18.61) [0.8325, 0.2583, 0.9161]\n", + " PeriodicSite: Li (16.58, 17.88, 9.746) [0.8163, 0.8802, 0.4798]\n", + " PeriodicSite: Li (14.8, 14.67, 18.03) [0.7287, 0.7223, 0.8874]\n", + " PeriodicSite: Li (9.345, 9.489, 8.212) [0.4601, 0.4671, 0.4043]\n", + " PeriodicSite: Li (5.998, 4.306, 1.652) [0.2953, 0.212, 0.08135]\n", + " PeriodicSite: Li (5.005, 17.0, 8.423) [0.2464, 0.837, 0.4147]\n", + " PeriodicSite: Li (7.381, 14.58, 0.64) [0.3634, 0.718, 0.03151]\n", + " PeriodicSite: Li (15.36, 7.002, 8.203) [0.7561, 0.3447, 0.4039]\n", + " PeriodicSite: Li (19.78, 6.895, 17.03) [0.9736, 0.3394, 0.8383]\n", + " PeriodicSite: Li (15.6, 18.17, 6.479) [0.7679, 0.8947, 0.319]\n", + " PeriodicSite: Li (15.25, 18.73, 17.16) [0.7506, 0.9222, 0.8449]\n", + " PeriodicSite: Li (6.554, 4.962, 12.09) [0.3227, 0.2443, 0.5952]\n", + " PeriodicSite: Li (5.506, 7.14, 18.6) [0.2711, 0.3515, 0.9158]\n", + " PeriodicSite: Li (9.853, 16.72, 7.057) [0.4851, 0.8231, 0.3474]\n", + " PeriodicSite: Li (12.31, 19.18, 0.5615) [0.6062, 0.9441, 0.02765]\n", + " PeriodicSite: Li (16.82, 7.964, 5.262) [0.8282, 0.3921, 0.2591]\n", + " PeriodicSite: Li (15.38, 6.719, 1.314) [0.7574, 0.3308, 0.06467]\n", + " PeriodicSite: Li (19.74, 18.41, 8.712) [0.9718, 0.9063, 0.4289]\n", + " PeriodicSite: Li (18.01, 20.18, 2.219) [0.8868, 0.9932, 0.1092]\n", + " PeriodicSite: Li (3.479, 9.954, 3.334) [0.1713, 0.49, 0.1642]\n", + " PeriodicSite: Li (10.14, 8.26, 18.33) [0.4994, 0.4066, 0.9022]\n", + " PeriodicSite: Li (7.773, 14.96, 7.716) [0.3827, 0.7366, 0.3799]\n", + " PeriodicSite: Li (6.562, 0.1927, 17.09) [0.3231, 0.009484, 0.8412]\n", + " PeriodicSite: Li (20.07, 6.872, 7.085) [0.9881, 0.3383, 0.3488]\n", + " PeriodicSite: Li (18.04, 11.36, 0.5052) [0.8883, 0.5591, 0.02488]\n", + " PeriodicSite: Li (2.973, 16.42, 0.2606) [0.1464, 0.8084, 0.01283]\n", + " PeriodicSite: Li (15.38, 0.9808, 13.31) [0.7571, 0.04828, 0.6553]\n", + " PeriodicSite: Cl (7.542, 12.62, 12.85) [0.3713, 0.6214, 0.6327]\n", + " PeriodicSite: Cl (3.221, 12.85, 17.65) [0.1586, 0.6327, 0.8689]\n", + " PeriodicSite: Cl (12.58, 17.63, 12.88) [0.6193, 0.8681, 0.6341]\n", + " PeriodicSite: Cl (17.56, 7.371, 18.01) [0.8645, 0.3629, 0.8866]\n", + " PeriodicSite: Cl (7.787, 2.258, 2.349) [0.3833, 0.1111, 0.1156]\n", + " PeriodicSite: Cl (7.553, 7.134, 6.78) [0.3719, 0.3512, 0.3338]\n", + " PeriodicSite: Cl (12.89, 13.18, 8.203) [0.6344, 0.649, 0.4038]\n", + " PeriodicSite: Cl (2.707, 7.699, 2.707) [0.1333, 0.379, 0.1333]\n", + " PeriodicSite: Cl (2.556, 7.521, 13.04) [0.1258, 0.3702, 0.6421]\n", + " PeriodicSite: Cl (13.18, 13.02, 17.72) [0.649, 0.6408, 0.8722]\n", + " PeriodicSite: Cl (17.6, 18.34, 17.61) [0.8663, 0.903, 0.867]\n", + " PeriodicSite: Cl (2.202, 2.496, 7.936) [0.1084, 0.1229, 0.3907]\n", + " PeriodicSite: Cl (12.32, 2.399, 17.71) [0.6068, 0.1181, 0.8721]\n", + " PeriodicSite: Cl (12.85, 8.171, 2.544) [0.6327, 0.4023, 0.1253]\n", + " PeriodicSite: Cl (17.62, 2.756, 13.03) [0.8676, 0.1357, 0.6414]\n", + " PeriodicSite: Cl (7.245, 17.86, 17.3) [0.3567, 0.8794, 0.8518]\n", + " PeriodicSite: Cl (0.271, 19.98, 0.5183) [0.01333, 0.9836, 0.02552]\n", + " PeriodicSite: Cl (20.25, 0.001884, 10.4) [0.9971, 8.425e-05, 0.5122]\n", + " PeriodicSite: Cl (0.04912, 10.19, 19.93) [0.002419, 0.5016, 0.981]\n", + " PeriodicSite: Cl (19.73, 10.23, 9.86) [0.9715, 0.5036, 0.4854]\n", + " PeriodicSite: Cl (10.3, 0.06032, 0.1482) [0.507, 0.002965, 0.007299]\n", + " PeriodicSite: Cl (10.1, 19.62, 10.1) [0.4971, 0.9661, 0.4971]\n", + " PeriodicSite: Cl (10.67, 10.08, 19.85) [0.5255, 0.4964, 0.9773]\n", + " PeriodicSite: Cl (10.05, 9.739, 10.44) [0.4948, 0.4795, 0.514]\n", + " PeriodicSite: Cl (0.1174, 4.965, 5.192) [0.005777, 0.2444, 0.2556]\n", + " PeriodicSite: Cl (20.18, 5.225, 15.11) [0.9935, 0.2572, 0.7439]\n", + " PeriodicSite: Cl (20.25, 14.76, 4.483) [0.9967, 0.7268, 0.2207]\n", + " PeriodicSite: Cl (0.01916, 15.5, 15.03) [0.0009402, 0.7629, 0.74]\n", + " PeriodicSite: Cl (10.26, 5.032, 4.861) [0.5052, 0.2477, 0.2393]\n", + " PeriodicSite: Cl (10.45, 4.911, 14.51) [0.5144, 0.2418, 0.7146]\n", + " PeriodicSite: Cl (10.02, 15.52, 5.118) [0.4933, 0.7642, 0.252]\n", + " PeriodicSite: Cl (10.38, 15.74, 15.04) [0.5109, 0.7747, 0.7403]\n", + " PeriodicSite: S (4.498, 0.002236, 4.805) [0.2215, 0.0001084, 0.2365]\n", + " PeriodicSite: S (4.585, 0.1684, 15.49) [0.2257, 0.008292, 0.7626]\n", + " PeriodicSite: S (4.537, 10.01, 5.341) [0.2234, 0.4928, 0.2629]\n", + " PeriodicSite: S (5.429, 10.38, 15.38) [0.2673, 0.5111, 0.7574]\n", + " PeriodicSite: S (15.07, 0.0005763, 5.526) [0.7421, 2.187e-05, 0.2721]\n", + " PeriodicSite: S (15.15, 20.22, 15.39) [0.7456, 0.9953, 0.7576]\n", + " PeriodicSite: S (15.43, 10.32, 5.155) [0.7595, 0.508, 0.2538]\n", + " PeriodicSite: S (15.58, 10.29, 15.06) [0.7669, 0.5066, 0.7415]\n", + " PeriodicSite: S (5.643, 5.185, 19.86) [0.2778, 0.2553, 0.9776]\n", + " PeriodicSite: S (4.89, 5.081, 10.33) [0.2407, 0.2501, 0.5087]\n", + " PeriodicSite: S (4.859, 15.19, 20.27) [0.2392, 0.748, 0.9979]\n", + " PeriodicSite: S (4.824, 15.26, 10.26) [0.2375, 0.751, 0.5049]\n", + " PeriodicSite: S (15.49, 4.54, 20.31) [0.7628, 0.2235, 0.9999]\n", + " PeriodicSite: S (14.96, 5.345, 9.954) [0.7367, 0.2631, 0.49]\n", + " PeriodicSite: S (15.08, 15.28, 0.09933) [0.7425, 0.7522, 0.004896]\n", + " PeriodicSite: S (15.33, 15.55, 10.28) [0.7548, 0.7654, 0.5063]\n", + " PeriodicSite: S (8.429, 4.082, 8.834) [0.415, 0.2009, 0.4349]\n", + " PeriodicSite: S (9.374, 4.111, 19.06) [0.4615, 0.2024, 0.9382]\n", + " PeriodicSite: S (9.34, 13.54, 9.125) [0.4598, 0.6663, 0.4492]\n", + " PeriodicSite: S (9.114, 14.12, 18.72) [0.4487, 0.6949, 0.9217]\n", + " PeriodicSite: S (19.11, 3.957, 8.807) [0.9409, 0.1948, 0.4336]\n", + " PeriodicSite: S (19.83, 3.337, 19.69) [0.9761, 0.1643, 0.9693]\n", + " PeriodicSite: S (19.13, 14.15, 8.683) [0.9419, 0.6964, 0.4275]\n", + " PeriodicSite: S (19.43, 13.37, 19.25) [0.9563, 0.658, 0.9478]\n", + " PeriodicSite: S (4.045, 1.397, 1.243) [0.1991, 0.06878, 0.06118]\n", + " PeriodicSite: S (3.567, 0.9365, 11.12) [0.1756, 0.04611, 0.5476]\n", + " PeriodicSite: S (3.871, 11.31, 1.242) [0.1906, 0.5568, 0.06115]\n", + " PeriodicSite: S (3.714, 11.36, 11.32) [0.1829, 0.5592, 0.5571]\n", + " PeriodicSite: S (13.87, 1.166, 0.7934) [0.6826, 0.05739, 0.03906]\n", + " PeriodicSite: S (14.08, 1.897, 11.66) [0.693, 0.09338, 0.574]\n", + " PeriodicSite: S (14.16, 11.35, 1.198) [0.6972, 0.5589, 0.05897]\n", + " PeriodicSite: S (13.95, 11.37, 11.25) [0.6867, 0.5599, 0.5539]\n", + " PeriodicSite: S (6.257, 1.095, 8.951) [0.308, 0.05391, 0.4407]\n", + " PeriodicSite: S (6.484, 1.219, 19.12) [0.3192, 0.06001, 0.9415]\n", + " PeriodicSite: S (6.242, 11.63, 9.285) [0.3073, 0.5723, 0.4571]\n", + " PeriodicSite: S (6.562, 11.23, 19.46) [0.323, 0.5527, 0.9581]\n", + " PeriodicSite: S (16.33, 1.396, 9.269) [0.8041, 0.06874, 0.4563]\n", + " PeriodicSite: S (15.95, 1.121, 18.67) [0.7854, 0.0552, 0.9189]\n", + " PeriodicSite: S (16.15, 11.49, 8.812) [0.7949, 0.5656, 0.4338]\n", + " PeriodicSite: S (16.48, 11.52, 19.3) [0.8112, 0.5671, 0.9501]\n", + " PeriodicSite: S (1.738, 4.69, 1.615) [0.08557, 0.2309, 0.0795]\n", + " PeriodicSite: S (0.9768, 4.073, 11.52) [0.04809, 0.2005, 0.5673]\n", + " PeriodicSite: S (1.358, 14.19, 1.279) [0.06687, 0.6986, 0.06299]\n", + " PeriodicSite: S (1.029, 14.44, 11.49) [0.05066, 0.7108, 0.5656]\n", + " PeriodicSite: S (11.56, 4.0, 1.219) [0.5689, 0.1969, 0.06001]\n", + " PeriodicSite: S (10.89, 3.48, 10.88) [0.5361, 0.1713, 0.5355]\n", + " PeriodicSite: S (11.34, 13.64, 0.8404) [0.5585, 0.6716, 0.04138]\n", + " PeriodicSite: S (11.4, 13.66, 11.62) [0.5614, 0.6723, 0.5723]\n", + " PeriodicSite: S (2.929, 2.72, 18.16) [0.1442, 0.1339, 0.8943]\n", + " PeriodicSite: S (2.519, 12.45, 7.867) [0.124, 0.613, 0.3873]\n", + " PeriodicSite: S (12.5, 2.641, 7.553) [0.6154, 0.13, 0.3719]\n", + " PeriodicSite: S (9.073, 9.024, 3.77) [0.4467, 0.4443, 0.1856]\n", + " PeriodicSite: S (9.289, 8.956, 13.87) [0.4573, 0.4409, 0.6829]\n", + " PeriodicSite: S (8.396, 19.36, 4.512) [0.4134, 0.953, 0.2221]\n", + " PeriodicSite: S (8.531, 19.11, 13.98) [0.42, 0.941, 0.6882]\n", + " PeriodicSite: S (19.46, 9.419, 3.534) [0.9581, 0.4637, 0.174]\n", + " PeriodicSite: S (18.86, 9.075, 13.93) [0.9286, 0.4467, 0.6858]\n", + " PeriodicSite: S (19.14, 19.01, 3.941) [0.942, 0.9361, 0.194]\n", + " PeriodicSite: S (18.91, 19.34, 14.4) [0.931, 0.952, 0.7091]\n", + " PeriodicSite: S (3.985, 5.921, 5.753) [0.1962, 0.2915, 0.2832]\n", + " PeriodicSite: S (4.132, 6.451, 16.63) [0.2034, 0.3176, 0.8187]\n", + " PeriodicSite: S (3.805, 16.35, 6.381) [0.1873, 0.8047, 0.3142]\n", + " PeriodicSite: S (3.915, 16.4, 16.65) [0.1928, 0.8073, 0.8195]\n", + " PeriodicSite: S (13.97, 6.473, 6.147) [0.6878, 0.3187, 0.3026]\n", + " PeriodicSite: S (13.83, 6.544, 16.48) [0.6807, 0.3222, 0.8114]\n", + " PeriodicSite: S (14.07, 16.39, 6.618) [0.6926, 0.807, 0.3258]\n", + " PeriodicSite: S (14.28, 16.64, 16.36) [0.7033, 0.8191, 0.8053]\n", + " PeriodicSite: S (6.637, 5.551, 3.701) [0.3267, 0.2733, 0.1822]\n", + " PeriodicSite: S (6.442, 6.195, 14.11) [0.3172, 0.305, 0.6949]\n", + " PeriodicSite: S (6.298, 16.39, 3.972) [0.3101, 0.8071, 0.1955]\n", + " PeriodicSite: S (5.901, 16.68, 13.97) [0.2905, 0.821, 0.688]\n", + " PeriodicSite: S (16.21, 5.919, 3.763) [0.7983, 0.2914, 0.1853]\n", + " PeriodicSite: S (16.4, 6.289, 14.12) [0.8074, 0.3096, 0.6952]\n", + " PeriodicSite: S (16.64, 16.31, 4.33) [0.8194, 0.8031, 0.2132]\n", + " PeriodicSite: S (16.88, 16.43, 14.1) [0.8309, 0.8087, 0.6942]\n", + " PeriodicSite: S (0.9892, 8.809, 6.396) [0.0487, 0.4337, 0.3149]\n", + " PeriodicSite: S (0.9712, 8.764, 16.53) [0.04781, 0.4315, 0.8137]\n", + " PeriodicSite: S (0.9942, 19.16, 6.338) [0.04894, 0.9431, 0.312]\n", + " PeriodicSite: S (1.041, 19.11, 16.49) [0.05122, 0.9411, 0.8117]\n", + " PeriodicSite: S (11.04, 8.76, 6.454) [0.5433, 0.4313, 0.3178]\n", + " PeriodicSite: S (11.48, 8.748, 16.25) [0.5652, 0.4307, 0.7999]\n", + " PeriodicSite: S (11.07, 18.79, 6.5) [0.5451, 0.9253, 0.32]\n", + " PeriodicSite: S (10.65, 19.09, 16.49) [0.5245, 0.94, 0.8117]\n", + " PeriodicSite: S (2.743, 17.69, 2.055) [0.135, 0.8708, 0.1012]\n", + " PeriodicSite: S (2.556, 17.56, 12.88) [0.1259, 0.8645, 0.6342]\n", + " PeriodicSite: S (12.68, 7.221, 12.67) [0.6243, 0.3555, 0.6238]\n", + " PeriodicSite: S (12.67, 18.11, 2.599) [0.6238, 0.8917, 0.1279]\n", + " PeriodicSite: S (3.892, 3.616, 3.446) [0.1916, 0.178, 0.1697]\n", + " PeriodicSite: S (3.777, 4.141, 14.08) [0.186, 0.2039, 0.693]\n", + " PeriodicSite: S (3.758, 14.3, 3.865) [0.185, 0.7041, 0.1903]\n", + " PeriodicSite: S (3.911, 14.12, 14.18) [0.1926, 0.6949, 0.6983]\n", + " PeriodicSite: S (13.6, 3.95, 3.98) [0.6696, 0.1944, 0.1959]\n", + " PeriodicSite: S (14.03, 3.724, 14.25) [0.6907, 0.1833, 0.7016]\n", + " PeriodicSite: S (13.98, 14.19, 4.089) [0.6881, 0.6987, 0.2013]\n", + " PeriodicSite: S (14.27, 14.31, 14.04) [0.7023, 0.7046, 0.6911]\n", + " PeriodicSite: S (9.06, 1.115, 6.8) [0.446, 0.05491, 0.3348]\n", + " PeriodicSite: S (8.539, 1.33, 16.17) [0.4204, 0.06549, 0.7959]\n", + " PeriodicSite: S (8.564, 11.11, 6.331) [0.4216, 0.5468, 0.3117]\n", + " PeriodicSite: S (9.318, 11.51, 16.22) [0.4587, 0.5665, 0.7986]\n", + " PeriodicSite: S (18.94, 1.391, 5.921) [0.9325, 0.06846, 0.2915]\n", + " PeriodicSite: S (19.35, 1.171, 17.02) [0.9528, 0.05763, 0.838]\n", + " PeriodicSite: S (19.04, 11.35, 6.108) [0.9375, 0.5588, 0.3007]\n", + " PeriodicSite: S (19.54, 11.72, 16.11) [0.9618, 0.5769, 0.793]\n", + " PeriodicSite: S (1.269, 1.081, 3.766) [0.06249, 0.0532, 0.1854]\n", + " PeriodicSite: S (1.0, 1.315, 14.28) [0.04924, 0.06475, 0.7029]\n", + " PeriodicSite: S (1.691, 11.21, 4.232) [0.08322, 0.552, 0.2084]\n", + " PeriodicSite: S (1.516, 10.86, 13.86) [0.07462, 0.5347, 0.6825]\n", + " PeriodicSite: S (11.14, 0.8045, 3.981) [0.5485, 0.0396, 0.196]\n", + " PeriodicSite: S (11.27, 1.036, 14.06) [0.5549, 0.05099, 0.6921]\n", + " PeriodicSite: S (11.18, 11.46, 4.536) [0.5504, 0.564, 0.2233]\n", + " PeriodicSite: S (11.72, 11.35, 14.11) [0.5772, 0.5589, 0.6946]\n", + " PeriodicSite: S (5.82, 3.338, 6.232) [0.2865, 0.1643, 0.3068]\n", + " PeriodicSite: S (6.307, 3.719, 16.34) [0.3105, 0.1831, 0.8044]\n", + " PeriodicSite: S (6.099, 13.71, 6.188) [0.3003, 0.6751, 0.3046]\n", + " PeriodicSite: S (6.649, 14.27, 16.17) [0.3273, 0.7023, 0.7961]\n", + " PeriodicSite: S (16.31, 3.833, 6.28) [0.803, 0.1887, 0.3092]\n", + " PeriodicSite: S (16.02, 4.146, 16.6) [0.7889, 0.2041, 0.817]\n", + " PeriodicSite: S (16.21, 13.93, 6.643) [0.7979, 0.686, 0.3271]\n", + " PeriodicSite: S (16.68, 14.29, 16.4) [0.8214, 0.7037, 0.8074]\n", + " PeriodicSite: S (7.307, 2.56, 12.48) [0.3597, 0.126, 0.6144]\n", + " PeriodicSite: S (7.661, 12.91, 2.56) [0.3772, 0.6357, 0.1261]\n", + " PeriodicSite: S (17.69, 2.094, 2.315) [0.8709, 0.1031, 0.114]\n", + " PeriodicSite: S (17.71, 12.78, 2.244) [0.8721, 0.629, 0.1105]\n", + " PeriodicSite: S (17.58, 12.98, 12.32) [0.8653, 0.6391, 0.6068]\n", + " PeriodicSite: S (4.227, 9.01, 8.857) [0.2081, 0.4436, 0.436]\n", + " PeriodicSite: S (3.998, 9.061, 19.23) [0.1968, 0.4461, 0.9469]\n", + " PeriodicSite: S (3.585, 19.05, 8.941) [0.1765, 0.9377, 0.4402]\n", + " PeriodicSite: S (4.183, 19.08, 19.18) [0.2059, 0.9394, 0.9441]\n", + " PeriodicSite: S (13.76, 9.085, 8.954) [0.6776, 0.4473, 0.4408]\n", + " PeriodicSite: S (14.71, 8.878, 19.22) [0.724, 0.4371, 0.946]\n", + " PeriodicSite: S (13.82, 19.57, 9.441) [0.6802, 0.9635, 0.4648]\n", + " PeriodicSite: S (13.6, 18.97, 18.77) [0.6697, 0.9341, 0.9239]\n", + " PeriodicSite: S (9.071, 6.268, 1.264) [0.4466, 0.3086, 0.06222]\n", + " PeriodicSite: S (8.717, 6.225, 11.27) [0.4292, 0.3065, 0.5548]\n", + " PeriodicSite: S (9.038, 16.2, 1.122) [0.4449, 0.7974, 0.05525]\n", + " PeriodicSite: S (8.763, 15.92, 11.41) [0.4314, 0.7839, 0.5618]\n", + " PeriodicSite: S (18.99, 6.205, 1.207) [0.9347, 0.3055, 0.05944]\n", + " PeriodicSite: S (18.92, 6.189, 11.11) [0.9313, 0.3047, 0.547]\n", + " PeriodicSite: S (18.92, 16.09, 0.8832) [0.9315, 0.792, 0.04349]\n", + " PeriodicSite: S (18.86, 16.74, 11.09) [0.9286, 0.8244, 0.5459]\n", + " PeriodicSite: S (1.282, 6.378, 8.935) [0.06314, 0.314, 0.4399]\n", + " PeriodicSite: S (1.13, 6.362, 19.04) [0.05564, 0.3132, 0.9375]\n", + " PeriodicSite: S (1.145, 16.49, 8.776) [0.05635, 0.8119, 0.4321]\n", + " PeriodicSite: S (0.9764, 16.15, 18.92) [0.04807, 0.7949, 0.9313]\n", + " PeriodicSite: S (11.16, 6.103, 8.968) [0.5494, 0.3005, 0.4415]\n", + " PeriodicSite: S (11.6, 6.722, 19.48) [0.5709, 0.3309, 0.9593]\n", + " PeriodicSite: S (11.36, 16.07, 9.407) [0.5592, 0.7912, 0.4631]\n", + " PeriodicSite: S (11.28, 16.45, 19.16) [0.5552, 0.8099, 0.9431]\n", + " PeriodicSite: S (6.35, 8.91, 1.219) [0.3126, 0.4386, 0.06001]\n", + " PeriodicSite: S (6.347, 9.053, 11.31) [0.3125, 0.4457, 0.5567]\n", + " PeriodicSite: S (6.273, 19.32, 1.384) [0.3088, 0.9511, 0.06812]\n", + " PeriodicSite: S (5.821, 18.88, 11.28) [0.2866, 0.9294, 0.5555]\n", + " PeriodicSite: S (16.78, 8.901, 1.418) [0.8262, 0.4382, 0.0698]\n", + " PeriodicSite: S (16.37, 9.044, 11.26) [0.8061, 0.4453, 0.5545]\n", + " PeriodicSite: S (16.13, 19.14, 0.9997) [0.7943, 0.9423, 0.04922]\n", + " PeriodicSite: S (16.17, 19.6, 11.7) [0.7963, 0.9649, 0.5759]\n", + " PeriodicSite: S (7.76, 7.603, 17.52) [0.3821, 0.3743, 0.8624]\n", + " PeriodicSite: S (7.419, 17.16, 7.917) [0.3652, 0.8446, 0.3898]\n", + " PeriodicSite: S (17.69, 7.549, 7.517) [0.8708, 0.3716, 0.3701]\n", + " PeriodicSite: S (17.67, 17.82, 7.65) [0.87, 0.8772, 0.3766]\n", + " PeriodicSite: P (5.273, 0.1096, 0.04002) [0.2596, 0.005392, 0.001972]\n", + " PeriodicSite: P (4.857, 20.15, 10.04) [0.2391, 0.9919, 0.4945]\n", + " PeriodicSite: P (5.127, 10.14, 0.1369) [0.2524, 0.499, 0.00674]\n", + " PeriodicSite: P (5.113, 10.35, 10.21) [0.2517, 0.5094, 0.5027]\n", + " PeriodicSite: P (14.9, 20.18, 19.87) [0.7338, 0.9933, 0.9784]\n", + " PeriodicSite: P (15.03, 0.4691, 10.47) [0.7399, 0.02309, 0.5157]\n", + " PeriodicSite: P (15.54, 10.14, 0.265) [0.7651, 0.4993, 0.01305]\n", + " PeriodicSite: P (15.12, 10.24, 10.13) [0.7442, 0.504, 0.4987]\n", + " PeriodicSite: P (5.207, 4.543, 4.691) [0.2564, 0.2237, 0.2309]\n", + " PeriodicSite: P (5.063, 5.138, 15.37) [0.2493, 0.253, 0.7569]\n", + " PeriodicSite: P (4.974, 15.28, 5.126) [0.2449, 0.7522, 0.2524]\n", + " PeriodicSite: P (5.091, 15.44, 15.29) [0.2506, 0.7602, 0.7526]\n", + " PeriodicSite: P (15.0, 5.01, 5.075) [0.7386, 0.2466, 0.2498]\n", + " PeriodicSite: P (15.03, 5.309, 15.22) [0.74, 0.2613, 0.7494]\n", + " PeriodicSite: P (15.24, 15.29, 5.375) [0.7503, 0.7529, 0.2646]\n", + " PeriodicSite: P (15.51, 15.43, 15.16) [0.7635, 0.7596, 0.7463]\n", + " PeriodicSite: P (20.22, 0.01547, 5.048) [0.9953, 0.0007525, 0.2485]\n", + " PeriodicSite: P (20.15, 0.1203, 15.55) [0.992, 0.005912, 0.7654]\n", + " PeriodicSite: P (0.2201, 10.14, 5.06) [0.01083, 0.499, 0.2491]\n", + " PeriodicSite: P (0.1032, 10.12, 15.22) [0.005082, 0.4981, 0.7491]\n", + " PeriodicSite: P (9.959, 20.19, 5.474) [0.4903, 0.9938, 0.2695]\n", + " PeriodicSite: P (9.746, 0.007129, 15.07) [0.4798, 0.0003477, 0.742]\n", + " PeriodicSite: P (9.998, 10.02, 5.237) [0.4922, 0.4931, 0.2578]\n", + " PeriodicSite: P (10.45, 10.13, 15.17) [0.5145, 0.4986, 0.7469]\n", + " PeriodicSite: P (0.08977, 5.155, 0.3196) [0.004417, 0.2538, 0.01573]\n", + " PeriodicSite: P (20.3, 5.296, 9.99) [0.9996, 0.2607, 0.4918]\n", + " PeriodicSite: P (0.02143, 14.91, 20.24) [0.001054, 0.734, 0.9964]\n", + " PeriodicSite: P (20.12, 15.32, 10.11) [0.9906, 0.7542, 0.4978]\n", + " PeriodicSite: P (10.44, 5.257, 0.03459) [0.5139, 0.2588, 0.001706]\n", + " PeriodicSite: P (9.803, 5.052, 10.11) [0.4826, 0.2487, 0.4976]\n", + " PeriodicSite: P (10.19, 15.08, 20.18) [0.5016, 0.7422, 0.9935]\n", + " PeriodicSite: P (10.21, 14.78, 10.51) [0.5025, 0.7275, 0.5174],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.735, 5.681, 3.525) [0.0854, 0.2797, 0.1735]\n", + " PeriodicSite: Li (20.28, 3.274, 13.48) [0.9986, 0.1612, 0.6637]\n", + " PeriodicSite: Li (0.2697, 12.98, 6.759) [0.01327, 0.6389, 0.3327]\n", + " PeriodicSite: Li (20.24, 14.32, 17.07) [0.9964, 0.7049, 0.8404]\n", + " PeriodicSite: Li (14.26, 0.5832, 7.179) [0.702, 0.02871, 0.3534]\n", + " PeriodicSite: Li (10.49, 2.95, 16.15) [0.5162, 0.1452, 0.795]\n", + " PeriodicSite: Li (13.91, 10.3, 3.281) [0.6849, 0.5071, 0.1615]\n", + " PeriodicSite: Li (16.95, 8.407, 15.05) [0.8344, 0.4139, 0.7408]\n", + " PeriodicSite: Li (3.747, 4.632, 8.159) [0.1845, 0.2281, 0.4017]\n", + " PeriodicSite: Li (1.898, 2.553, 20.16) [0.09345, 0.1257, 0.9925]\n", + " PeriodicSite: Li (3.526, 8.253, 5.411) [0.1736, 0.4063, 0.2664]\n", + " PeriodicSite: Li (7.46, 9.929, 17.84) [0.3673, 0.4888, 0.8783]\n", + " PeriodicSite: Li (12.52, 5.146, 7.08) [0.6161, 0.2533, 0.3486]\n", + " PeriodicSite: Li (12.96, 0.1981, 17.21) [0.638, 0.009747, 0.8475]\n", + " PeriodicSite: Li (10.98, 8.519, 11.98) [0.5407, 0.4194, 0.5898]\n", + " PeriodicSite: Li (9.013, 18.14, 19.56) [0.4437, 0.8931, 0.9629]\n", + " PeriodicSite: Li (6.385, 1.271, 6.777) [0.3143, 0.06256, 0.3336]\n", + " PeriodicSite: Li (4.602, 19.67, 13.13) [0.2265, 0.9685, 0.6463]\n", + " PeriodicSite: Li (3.05, 10.48, 7.081) [0.1501, 0.5161, 0.3486]\n", + " PeriodicSite: Li (7.237, 10.24, 13.29) [0.3563, 0.5039, 0.6545]\n", + " PeriodicSite: Li (11.7, 0.5182, 8.401) [0.5762, 0.02551, 0.4136]\n", + " PeriodicSite: Li (10.73, 1.992, 19.76) [0.5284, 0.09806, 0.9729]\n", + " PeriodicSite: Li (13.53, 14.91, 8.376) [0.6659, 0.7343, 0.4124]\n", + " PeriodicSite: Li (12.73, 9.478, 0.5658) [0.6266, 0.4666, 0.02786]\n", + " PeriodicSite: Li (0.3764, 3.026, 6.984) [0.01853, 0.149, 0.3438]\n", + " PeriodicSite: Li (0.5865, 3.406, 17.05) [0.02888, 0.1677, 0.8396]\n", + " PeriodicSite: Li (2.164, 15.16, 7.238) [0.1065, 0.7463, 0.3563]\n", + " PeriodicSite: Li (3.555, 14.91, 18.06) [0.175, 0.7338, 0.8889]\n", + " PeriodicSite: Li (13.12, 1.834, 4.916) [0.6458, 0.09027, 0.242]\n", + " PeriodicSite: Li (14.74, 2.191, 16.08) [0.7255, 0.1079, 0.7917]\n", + " PeriodicSite: Li (11.85, 12.24, 10.16) [0.5834, 0.6028, 0.5003]\n", + " PeriodicSite: Li (16.18, 16.75, 19.47) [0.7966, 0.8246, 0.9587]\n", + " PeriodicSite: Li (6.055, 1.542, 3.25) [0.2981, 0.0759, 0.16]\n", + " PeriodicSite: Li (0.4, 18.38, 2.336) [0.01969, 0.9051, 0.115]\n", + " PeriodicSite: Li (2.844, 13.69, 9.909) [0.14, 0.6738, 0.4878]\n", + " PeriodicSite: Li (2.007, 16.24, 14.57) [0.09878, 0.7997, 0.7173]\n", + " PeriodicSite: Li (14.68, 3.934, 8.145) [0.7227, 0.1937, 0.401]\n", + " PeriodicSite: Li (13.95, 6.127, 19.04) [0.6868, 0.3016, 0.9376]\n", + " PeriodicSite: Li (17.04, 15.81, 8.704) [0.8388, 0.7785, 0.4285]\n", + " PeriodicSite: Li (10.81, 11.86, 18.13) [0.5322, 0.5838, 0.8926]\n", + " PeriodicSite: Li (3.339, 1.619, 4.766) [0.1644, 0.07972, 0.2346]\n", + " PeriodicSite: Li (2.762, 0.4354, 17.19) [0.136, 0.02144, 0.8462]\n", + " PeriodicSite: Li (4.486, 12.37, 5.794) [0.2208, 0.6092, 0.2852]\n", + " PeriodicSite: Li (18.57, 15.1, 3.084) [0.9143, 0.7434, 0.1518]\n", + " PeriodicSite: Li (10.28, 3.119, 7.662) [0.5063, 0.1535, 0.3772]\n", + " PeriodicSite: Li (17.22, 20.28, 16.01) [0.8477, 0.9986, 0.7884]\n", + " PeriodicSite: Li (14.88, 12.29, 6.436) [0.7326, 0.6052, 0.3168]\n", + " PeriodicSite: Li (14.05, 9.022, 16.8) [0.6916, 0.4441, 0.8269]\n", + " PeriodicSite: Li (3.567, 12.23, 15.14) [0.1756, 0.6023, 0.7455]\n", + " PeriodicSite: Li (1.664, 10.85, 9.679) [0.08193, 0.5343, 0.4765]\n", + " PeriodicSite: Li (2.1, 15.71, 3.857) [0.1034, 0.7732, 0.1899]\n", + " PeriodicSite: Li (0.8866, 2.171, 9.843) [0.04365, 0.1069, 0.4846]\n", + " PeriodicSite: Li (12.36, 5.411, 2.686) [0.6087, 0.2664, 0.1322]\n", + " PeriodicSite: Li (12.3, 7.056, 14.75) [0.6053, 0.3474, 0.7261]\n", + " PeriodicSite: Li (10.86, 12.59, 6.615) [0.5345, 0.6198, 0.3257]\n", + " PeriodicSite: Li (12.7, 19.77, 14.26) [0.6251, 0.9731, 0.7019]\n", + " PeriodicSite: Li (4.76, 6.654, 2.015) [0.2343, 0.3276, 0.09919]\n", + " PeriodicSite: Li (3.037, 5.455, 11.0) [0.1495, 0.2685, 0.5416]\n", + " PeriodicSite: Li (5.439, 17.12, 18.62) [0.2678, 0.8428, 0.9166]\n", + " PeriodicSite: Li (2.619, 19.03, 15.12) [0.1289, 0.9367, 0.7446]\n", + " PeriodicSite: Li (14.23, 3.197, 19.44) [0.7007, 0.1574, 0.9568]\n", + " PeriodicSite: Li (12.13, 4.891, 13.08) [0.5971, 0.2408, 0.6439]\n", + " PeriodicSite: Li (12.19, 16.08, 4.296) [0.6001, 0.7915, 0.2115]\n", + " PeriodicSite: Li (9.926, 17.0, 13.4) [0.4887, 0.8367, 0.6599]\n", + " PeriodicSite: Li (4.816, 10.8, 17.48) [0.2371, 0.5317, 0.8608]\n", + " PeriodicSite: Li (4.68, 7.504, 10.95) [0.2304, 0.3694, 0.5389]\n", + " PeriodicSite: Li (5.086, 16.78, 2.025) [0.2504, 0.8263, 0.0997]\n", + " PeriodicSite: Li (2.496, 17.03, 10.29) [0.1229, 0.8385, 0.5067]\n", + " PeriodicSite: Li (10.59, 8.215, 1.675) [0.5212, 0.4044, 0.08246]\n", + " PeriodicSite: Li (15.23, 6.558, 12.19) [0.7499, 0.3228, 0.6002]\n", + " PeriodicSite: Li (10.49, 19.02, 2.589) [0.5165, 0.9362, 0.1275]\n", + " PeriodicSite: Li (13.12, 15.62, 12.0) [0.646, 0.7689, 0.5909]\n", + " PeriodicSite: Li (1.584, 8.281, 0.4081) [0.07795, 0.4077, 0.02009]\n", + " PeriodicSite: Li (17.07, 5.231, 8.341) [0.8403, 0.2575, 0.4107]\n", + " PeriodicSite: Li (3.013, 18.57, 5.148) [0.1483, 0.9142, 0.2534]\n", + " PeriodicSite: Li (1.573, 20.06, 11.87) [0.07742, 0.9873, 0.5844]\n", + " PeriodicSite: Li (9.476, 7.253, 5.667) [0.4665, 0.3571, 0.279]\n", + " PeriodicSite: Li (13.85, 12.21, 15.49) [0.6817, 0.601, 0.7626]\n", + " PeriodicSite: Li (14.9, 16.74, 1.912) [0.7336, 0.8242, 0.09415]\n", + " PeriodicSite: Li (11.73, 15.24, 16.54) [0.5775, 0.7502, 0.8144]\n", + " PeriodicSite: Li (6.883, 7.876, 4.836) [0.3388, 0.3878, 0.2381]\n", + " PeriodicSite: Li (20.13, 12.91, 12.88) [0.991, 0.6358, 0.6343]\n", + " PeriodicSite: Li (18.83, 15.91, 6.61) [0.9271, 0.7832, 0.3254]\n", + " PeriodicSite: Li (5.916, 18.29, 15.8) [0.2912, 0.9006, 0.7781]\n", + " PeriodicSite: Li (17.07, 10.58, 2.961) [0.8402, 0.5209, 0.1458]\n", + " PeriodicSite: Li (13.24, 6.777, 10.02) [0.6516, 0.3336, 0.4935]\n", + " PeriodicSite: Li (12.77, 15.9, 0.6459) [0.6285, 0.7827, 0.0318]\n", + " PeriodicSite: Li (11.99, 18.4, 11.04) [0.5904, 0.9057, 0.5433]\n", + " PeriodicSite: Li (4.883, 3.245, 18.93) [0.2404, 0.1597, 0.9318]\n", + " PeriodicSite: Li (3.639, 9.612, 13.41) [0.1792, 0.4732, 0.6601]\n", + " PeriodicSite: Li (4.306, 19.57, 2.936) [0.212, 0.9635, 0.1445]\n", + " PeriodicSite: Li (0.4495, 16.58, 12.43) [0.02212, 0.8164, 0.6117]\n", + " PeriodicSite: Li (13.41, 9.315, 6.107) [0.6601, 0.4586, 0.3006]\n", + " PeriodicSite: Li (13.77, 9.483, 13.3) [0.6781, 0.4669, 0.6547]\n", + " PeriodicSite: Li (12.82, 18.79, 4.932) [0.631, 0.9251, 0.2428]\n", + " PeriodicSite: Li (18.1, 4.165, 14.99) [0.891, 0.205, 0.738]\n", + " PeriodicSite: Li (9.326, 4.193, 3.002) [0.4591, 0.2064, 0.1478]\n", + " PeriodicSite: Li (9.534, 2.642, 12.99) [0.4694, 0.13, 0.6397]\n", + " PeriodicSite: Li (7.018, 11.12, 4.231) [0.3455, 0.5473, 0.2083]\n", + " PeriodicSite: Li (6.89, 12.45, 15.11) [0.3392, 0.6127, 0.744]\n", + " PeriodicSite: Li (18.08, 4.619, 5.343) [0.8901, 0.2274, 0.263]\n", + " PeriodicSite: Li (12.76, 3.548, 9.938) [0.6281, 0.1747, 0.4893]\n", + " PeriodicSite: Li (0.05271, 13.05, 2.43) [0.00259, 0.6426, 0.1196]\n", + " PeriodicSite: Li (17.43, 10.25, 13.27) [0.8579, 0.5047, 0.6531]\n", + " PeriodicSite: Li (6.235, 18.38, 5.565) [0.3069, 0.9051, 0.274]\n", + " PeriodicSite: Li (7.916, 4.195, 14.54) [0.3897, 0.2065, 0.716]\n", + " PeriodicSite: Li (5.347, 13.36, 18.84) [0.2632, 0.658, 0.9274]\n", + " PeriodicSite: Li (9.648, 13.09, 14.02) [0.475, 0.6445, 0.6901]\n", + " PeriodicSite: Li (14.58, 19.7, 2.749) [0.718, 0.97, 0.1353]\n", + " PeriodicSite: Li (18.59, 0.2509, 12.23) [0.9151, 0.01234, 0.6019]\n", + " PeriodicSite: Li (17.5, 13.95, 0.4339) [0.8613, 0.6867, 0.02137]\n", + " PeriodicSite: Li (16.81, 14.96, 11.99) [0.8277, 0.7367, 0.59]\n", + " PeriodicSite: Li (8.079, 4.59, 5.972) [0.3977, 0.226, 0.294]\n", + " PeriodicSite: Li (7.984, 0.4859, 11.46) [0.3931, 0.02392, 0.564]\n", + " PeriodicSite: Li (10.12, 13.08, 2.459) [0.4981, 0.6437, 0.121]\n", + " PeriodicSite: Li (5.559, 13.43, 11.1) [0.2737, 0.6611, 0.5467]\n", + " PeriodicSite: Li (19.78, 1.943, 2.07) [0.9739, 0.09565, 0.1019]\n", + " PeriodicSite: Li (0.1431, 8.217, 12.12) [0.007047, 0.4045, 0.5969]\n", + " PeriodicSite: Li (15.82, 14.15, 2.359) [0.7789, 0.6969, 0.1161]\n", + " PeriodicSite: Li (15.84, 12.43, 13.88) [0.7797, 0.6121, 0.6836]\n", + " PeriodicSite: Li (3.224, 0.3872, 7.318) [0.1587, 0.01906, 0.3603]\n", + " PeriodicSite: Li (6.88, 1.371, 14.66) [0.3387, 0.06751, 0.7218]\n", + " PeriodicSite: Li (5.511, 13.02, 1.973) [0.2713, 0.6411, 0.09714]\n", + " PeriodicSite: Li (9.047, 7.102, 15.99) [0.4454, 0.3496, 0.7871]\n", + " PeriodicSite: Li (17.42, 4.619, 2.019) [0.8575, 0.2274, 0.09939]\n", + " PeriodicSite: Li (15.42, 18.83, 13.46) [0.7589, 0.9271, 0.6628]\n", + " PeriodicSite: Li (13.53, 12.97, 20.02) [0.6661, 0.6386, 0.9858]\n", + " PeriodicSite: Li (18.17, 11.57, 10.57) [0.8945, 0.5695, 0.5206]\n", + " PeriodicSite: Li (7.102, 7.391, 20.14) [0.3496, 0.3639, 0.9917]\n", + " PeriodicSite: Li (4.851, 3.042, 12.08) [0.2388, 0.1498, 0.5947]\n", + " PeriodicSite: Li (7.918, 10.43, 1.357) [0.3898, 0.5134, 0.06679]\n", + " PeriodicSite: Li (8.721, 11.8, 10.49) [0.4294, 0.5811, 0.5165]\n", + " PeriodicSite: Li (15.1, 3.177, 1.967) [0.7434, 0.1564, 0.09684]\n", + " PeriodicSite: Li (17.05, 4.287, 11.22) [0.8395, 0.2111, 0.5522]\n", + " PeriodicSite: Li (2.316, 11.04, 19.48) [0.114, 0.5436, 0.9589]\n", + " PeriodicSite: Li (18.17, 14.11, 14.69) [0.8945, 0.6947, 0.723]\n", + " PeriodicSite: Li (8.212, 0.9316, 1.019) [0.4043, 0.04586, 0.05017]\n", + " PeriodicSite: Li (6.888, 2.996, 10.19) [0.3391, 0.1475, 0.5018]\n", + " PeriodicSite: Li (7.7, 14.59, 3.728) [0.3791, 0.7182, 0.1835]\n", + " PeriodicSite: Li (4.409, 16.82, 12.61) [0.2171, 0.8279, 0.6209]\n", + " PeriodicSite: Li (17.38, 2.461, 0.1091) [0.8556, 0.1211, 0.005376]\n", + " PeriodicSite: Li (1.772, 7.275, 15.15) [0.08724, 0.3582, 0.746]\n", + " PeriodicSite: Li (4.715, 13.51, 8.15) [0.2321, 0.6652, 0.4012]\n", + " PeriodicSite: Li (15.38, 13.14, 10.54) [0.757, 0.647, 0.5191]\n", + " PeriodicSite: Li (17.23, 12.46, 4.881) [0.8483, 0.6135, 0.2403]\n", + " PeriodicSite: Li (6.268, 8.432, 15.46) [0.3086, 0.4151, 0.761]\n", + " PeriodicSite: Li (6.8, 16.56, 10.22) [0.3348, 0.8153, 0.5033]\n", + " PeriodicSite: Li (2.388, 19.37, 0.7075) [0.1175, 0.9534, 0.03483]\n", + " PeriodicSite: Li (17.35, 9.902, 7.326) [0.8544, 0.4875, 0.3607]\n", + " PeriodicSite: Li (3.075, 5.044, 18.24) [0.1514, 0.2483, 0.8982]\n", + " PeriodicSite: Li (16.62, 1.664, 4.593) [0.8181, 0.0819, 0.2261]\n", + " PeriodicSite: Li (19.45, 17.99, 19.26) [0.9577, 0.8858, 0.948]\n", + " PeriodicSite: Li (6.35, 9.69, 7.41) [0.3126, 0.4771, 0.3648]\n", + " PeriodicSite: Li (6.991, 5.273, 18.17) [0.3442, 0.2596, 0.8947]\n", + " PeriodicSite: Li (8.259, 19.81, 8.427) [0.4066, 0.9751, 0.4149]\n", + " PeriodicSite: Li (8.194, 15.71, 16.81) [0.4034, 0.7736, 0.8275]\n", + " PeriodicSite: Li (17.58, 8.496, 9.682) [0.8655, 0.4182, 0.4766]\n", + " PeriodicSite: Li (17.99, 7.946, 19.64) [0.8857, 0.3912, 0.9668]\n", + " PeriodicSite: Li (17.32, 20.1, 7.463) [0.8528, 0.9896, 0.3674]\n", + " PeriodicSite: Li (19.06, 17.37, 15.8) [0.9385, 0.8552, 0.7779]\n", + " PeriodicSite: Li (7.014, 6.23, 9.379) [0.3453, 0.3067, 0.4617]\n", + " PeriodicSite: Li (4.32, 2.054, 15.84) [0.2127, 0.1011, 0.7801]\n", + " PeriodicSite: Li (9.394, 17.62, 9.624) [0.4625, 0.8673, 0.4738]\n", + " PeriodicSite: Li (16.92, 11.38, 16.46) [0.8332, 0.5604, 0.8104]\n", + " PeriodicSite: Li (19.8, 8.872, 7.886) [0.9749, 0.4368, 0.3883]\n", + " PeriodicSite: Li (16.88, 5.145, 18.63) [0.8311, 0.2533, 0.9173]\n", + " PeriodicSite: Li (15.26, 17.62, 9.19) [0.7513, 0.8672, 0.4524]\n", + " PeriodicSite: Li (14.71, 14.38, 18.22) [0.7241, 0.7078, 0.8968]\n", + " PeriodicSite: Li (9.494, 8.87, 8.143) [0.4674, 0.4367, 0.4009]\n", + " PeriodicSite: Li (6.334, 4.48, 1.092) [0.3118, 0.2205, 0.05377]\n", + " PeriodicSite: Li (5.33, 16.75, 8.052) [0.2624, 0.8247, 0.3964]\n", + " PeriodicSite: Li (7.394, 14.34, 0.5846) [0.364, 0.7062, 0.02879]\n", + " PeriodicSite: Li (15.47, 7.261, 8.147) [0.7617, 0.3575, 0.4011]\n", + " PeriodicSite: Li (19.92, 7.248, 17.06) [0.9805, 0.3568, 0.8398]\n", + " PeriodicSite: Li (16.4, 18.38, 5.474) [0.8073, 0.9051, 0.2695]\n", + " PeriodicSite: Li (15.19, 18.77, 17.18) [0.7477, 0.9238, 0.8458]\n", + " PeriodicSite: Li (6.926, 5.234, 11.86) [0.341, 0.2577, 0.5841]\n", + " PeriodicSite: Li (5.188, 7.459, 18.21) [0.2554, 0.3672, 0.8967]\n", + " PeriodicSite: Li (9.773, 17.32, 6.41) [0.4811, 0.8525, 0.3156]\n", + " PeriodicSite: Li (12.48, 19.38, 0.6566) [0.6142, 0.954, 0.03233]\n", + " PeriodicSite: Li (17.31, 8.353, 4.9) [0.8524, 0.4112, 0.2413]\n", + " PeriodicSite: Li (15.36, 7.092, 1.787) [0.7564, 0.3491, 0.08797]\n", + " PeriodicSite: Li (19.59, 18.59, 8.438) [0.9644, 0.9153, 0.4154]\n", + " PeriodicSite: Li (17.85, 0.01155, 1.979) [0.8789, 0.0005607, 0.09745]\n", + " PeriodicSite: Li (3.733, 10.22, 3.157) [0.1838, 0.5029, 0.1554]\n", + " PeriodicSite: Li (10.09, 8.21, 18.64) [0.4968, 0.4042, 0.9178]\n", + " PeriodicSite: Li (8.377, 15.19, 7.271) [0.4124, 0.7479, 0.358]\n", + " PeriodicSite: Li (6.879, 0.1849, 17.24) [0.3386, 0.0091, 0.8489]\n", + " PeriodicSite: Li (20.06, 6.022, 7.306) [0.9874, 0.2965, 0.3597]\n", + " PeriodicSite: Li (18.28, 11.27, 0.529) [0.9001, 0.5547, 0.02605]\n", + " PeriodicSite: Li (2.855, 16.09, 0.8449) [0.1405, 0.7922, 0.0416]\n", + " PeriodicSite: Li (15.55, 1.843, 13.47) [0.7654, 0.09071, 0.663]\n", + " PeriodicSite: Cl (7.599, 12.44, 12.82) [0.3741, 0.6126, 0.6309]\n", + " PeriodicSite: Cl (3.424, 12.59, 18.03) [0.1685, 0.6197, 0.8877]\n", + " PeriodicSite: Cl (12.49, 17.76, 13.14) [0.615, 0.8743, 0.6471]\n", + " PeriodicSite: Cl (17.66, 7.247, 17.51) [0.8694, 0.3568, 0.8618]\n", + " PeriodicSite: Cl (7.791, 2.672, 2.159) [0.3836, 0.1315, 0.1063]\n", + " PeriodicSite: Cl (7.625, 7.36, 7.059) [0.3754, 0.3624, 0.3475]\n", + " PeriodicSite: Cl (12.74, 12.74, 7.971) [0.627, 0.6274, 0.3924]\n", + " PeriodicSite: Cl (2.811, 7.876, 2.824) [0.1384, 0.3877, 0.139]\n", + " PeriodicSite: Cl (2.469, 7.523, 12.62) [0.1215, 0.3704, 0.6211]\n", + " PeriodicSite: Cl (12.67, 13.22, 17.72) [0.6239, 0.6507, 0.8725]\n", + " PeriodicSite: Cl (17.68, 17.75, 18.13) [0.8704, 0.8737, 0.8927]\n", + " PeriodicSite: Cl (2.318, 2.621, 7.888) [0.1141, 0.129, 0.3883]\n", + " PeriodicSite: Cl (12.78, 2.467, 17.61) [0.6293, 0.1214, 0.8671]\n", + " PeriodicSite: Cl (12.81, 7.736, 2.322) [0.6305, 0.3808, 0.1143]\n", + " PeriodicSite: Cl (17.96, 2.869, 12.96) [0.8843, 0.1412, 0.6381]\n", + " PeriodicSite: Cl (7.431, 17.84, 17.58) [0.3658, 0.8782, 0.8653]\n", + " PeriodicSite: Cl (20.23, 19.79, 0.4579) [0.9957, 0.9741, 0.02255]\n", + " PeriodicSite: Cl (20.09, 0.1455, 10.54) [0.9892, 0.007156, 0.5191]\n", + " PeriodicSite: Cl (0.2072, 9.923, 20.13) [0.0102, 0.4885, 0.9911]\n", + " PeriodicSite: Cl (19.87, 9.919, 10.19) [0.978, 0.4883, 0.5015]\n", + " PeriodicSite: Cl (9.974, 20.01, 0.09624) [0.491, 0.985, 0.004742]\n", + " PeriodicSite: Cl (9.855, 19.74, 10.05) [0.4852, 0.9716, 0.4946]\n", + " PeriodicSite: Cl (10.36, 9.735, 0.1572) [0.51, 0.4793, 0.007743]\n", + " PeriodicSite: Cl (10.33, 10.27, 9.955) [0.5086, 0.5054, 0.4901]\n", + " PeriodicSite: Cl (0.02561, 4.952, 5.407) [0.00126, 0.2438, 0.2662]\n", + " PeriodicSite: Cl (20.11, 5.143, 15.64) [0.9899, 0.2532, 0.7698]\n", + " PeriodicSite: Cl (0.05902, 15.33, 5.071) [0.0029, 0.7548, 0.2497]\n", + " PeriodicSite: Cl (20.24, 15.24, 14.87) [0.9965, 0.7501, 0.7323]\n", + " PeriodicSite: Cl (10.21, 5.187, 5.082) [0.5026, 0.2554, 0.2502]\n", + " PeriodicSite: Cl (9.931, 4.959, 15.16) [0.4889, 0.2442, 0.7462]\n", + " PeriodicSite: Cl (10.06, 15.2, 5.36) [0.4951, 0.7484, 0.2639]\n", + " PeriodicSite: Cl (9.937, 15.23, 15.12) [0.4892, 0.75, 0.7444]\n", + " PeriodicSite: S (4.844, 20.27, 5.467) [0.2385, 0.9981, 0.2692]\n", + " PeriodicSite: S (4.993, 0.007685, 15.24) [0.2458, 0.0003772, 0.7502]\n", + " PeriodicSite: S (5.169, 9.772, 5.239) [0.2545, 0.4811, 0.2579]\n", + " PeriodicSite: S (5.296, 10.35, 15.16) [0.2607, 0.5094, 0.7465]\n", + " PeriodicSite: S (14.83, 0.1643, 4.812) [0.7302, 0.008084, 0.2369]\n", + " PeriodicSite: S (14.96, 0.09981, 15.34) [0.7366, 0.004908, 0.7553]\n", + " PeriodicSite: S (15.6, 10.27, 5.067) [0.7679, 0.5055, 0.2494]\n", + " PeriodicSite: S (15.39, 10.39, 14.9) [0.7578, 0.5114, 0.7337]\n", + " PeriodicSite: S (5.124, 5.639, 19.73) [0.2523, 0.2776, 0.9715]\n", + " PeriodicSite: S (5.143, 5.109, 10.29) [0.2532, 0.2515, 0.5068]\n", + " PeriodicSite: S (5.221, 15.27, 20.24) [0.257, 0.7519, 0.9966]\n", + " PeriodicSite: S (4.542, 15.26, 10.02) [0.2236, 0.7513, 0.4933]\n", + " PeriodicSite: S (15.45, 4.901, 0.356) [0.7606, 0.2413, 0.01753]\n", + " PeriodicSite: S (15.15, 5.184, 9.835) [0.7459, 0.2552, 0.4842]\n", + " PeriodicSite: S (14.98, 15.01, 0.3926) [0.7375, 0.7391, 0.01933]\n", + " PeriodicSite: S (14.81, 15.49, 10.3) [0.7292, 0.7624, 0.5071]\n", + " PeriodicSite: S (8.582, 4.28, 8.716) [0.4225, 0.2107, 0.4291]\n", + " PeriodicSite: S (9.225, 4.264, 18.51) [0.4542, 0.2099, 0.9111]\n", + " PeriodicSite: S (9.018, 13.73, 9.107) [0.444, 0.6762, 0.4484]\n", + " PeriodicSite: S (8.941, 13.95, 18.94) [0.4402, 0.6869, 0.9323]\n", + " PeriodicSite: S (19.15, 4.05, 9.151) [0.9429, 0.1994, 0.4505]\n", + " PeriodicSite: S (19.92, 3.076, 20.04) [0.9805, 0.1514, 0.9868]\n", + " PeriodicSite: S (18.83, 13.8, 8.902) [0.9268, 0.6794, 0.4383]\n", + " PeriodicSite: S (19.35, 13.45, 19.15) [0.9527, 0.6624, 0.9429]\n", + " PeriodicSite: S (3.62, 0.9663, 1.113) [0.1782, 0.04757, 0.05478]\n", + " PeriodicSite: S (3.785, 0.9409, 11.19) [0.1863, 0.04632, 0.5507]\n", + " PeriodicSite: S (3.8, 11.36, 1.086) [0.1871, 0.5594, 0.05344]\n", + " PeriodicSite: S (3.667, 11.46, 11.64) [0.1805, 0.564, 0.573]\n", + " PeriodicSite: S (13.66, 1.131, 0.9981) [0.6723, 0.05569, 0.04914]\n", + " PeriodicSite: S (14.21, 1.751, 11.42) [0.6996, 0.08618, 0.5621]\n", + " PeriodicSite: S (14.32, 11.27, 1.087) [0.7049, 0.5548, 0.05351]\n", + " PeriodicSite: S (13.92, 11.28, 11.32) [0.6852, 0.5554, 0.5571]\n", + " PeriodicSite: S (6.391, 0.7219, 8.989) [0.3146, 0.03554, 0.4425]\n", + " PeriodicSite: S (6.507, 1.408, 19.49) [0.3204, 0.06933, 0.9593]\n", + " PeriodicSite: S (6.14, 11.66, 9.316) [0.3023, 0.5742, 0.4586]\n", + " PeriodicSite: S (6.299, 11.13, 19.47) [0.3101, 0.5477, 0.9586]\n", + " PeriodicSite: S (16.14, 1.608, 8.694) [0.7945, 0.07916, 0.428]\n", + " PeriodicSite: S (16.28, 0.8904, 19.01) [0.8014, 0.04383, 0.9356]\n", + " PeriodicSite: S (16.28, 11.21, 8.983) [0.8017, 0.5521, 0.4422]\n", + " PeriodicSite: S (16.36, 11.5, 18.96) [0.8054, 0.566, 0.9334]\n", + " PeriodicSite: S (1.962, 4.323, 1.411) [0.09661, 0.2128, 0.06945]\n", + " PeriodicSite: S (1.018, 3.805, 11.47) [0.05014, 0.1873, 0.5647]\n", + " PeriodicSite: S (1.412, 14.09, 0.927) [0.06951, 0.6936, 0.04564]\n", + " PeriodicSite: S (0.9739, 14.29, 11.12) [0.04794, 0.7037, 0.5476]\n", + " PeriodicSite: S (11.24, 3.986, 0.9833) [0.5536, 0.1962, 0.04841]\n", + " PeriodicSite: S (10.78, 3.826, 11.35) [0.5307, 0.1883, 0.5589]\n", + " PeriodicSite: S (11.52, 13.75, 0.7626) [0.567, 0.6771, 0.03755]\n", + " PeriodicSite: S (11.12, 13.76, 11.56) [0.5476, 0.6773, 0.5694]\n", + " PeriodicSite: S (2.893, 2.71, 17.87) [0.1424, 0.1334, 0.8798]\n", + " PeriodicSite: S (2.654, 12.96, 7.791) [0.1307, 0.6383, 0.3836]\n", + " PeriodicSite: S (12.67, 2.5, 7.737) [0.6239, 0.1231, 0.3809]\n", + " PeriodicSite: S (8.987, 9.275, 3.915) [0.4424, 0.4566, 0.1927]\n", + " PeriodicSite: S (9.074, 8.849, 14.07) [0.4467, 0.4356, 0.6925]\n", + " PeriodicSite: S (8.694, 19.11, 4.361) [0.428, 0.9408, 0.2147]\n", + " PeriodicSite: S (8.738, 19.31, 13.69) [0.4302, 0.9506, 0.6742]\n", + " PeriodicSite: S (19.67, 9.147, 3.462) [0.9682, 0.4503, 0.1705]\n", + " PeriodicSite: S (19.26, 9.058, 14.31) [0.9483, 0.4459, 0.7046]\n", + " PeriodicSite: S (18.91, 19.12, 3.973) [0.9308, 0.9413, 0.1956]\n", + " PeriodicSite: S (18.71, 19.18, 14.51) [0.9211, 0.9441, 0.7142]\n", + " PeriodicSite: S (3.954, 5.961, 5.98) [0.1947, 0.2935, 0.2944]\n", + " PeriodicSite: S (3.989, 6.516, 16.15) [0.1964, 0.3208, 0.7952]\n", + " PeriodicSite: S (3.959, 16.42, 6.121) [0.1949, 0.8085, 0.3014]\n", + " PeriodicSite: S (3.998, 16.8, 16.42) [0.1968, 0.8269, 0.8082]\n", + " PeriodicSite: S (13.93, 6.657, 5.98) [0.6857, 0.3277, 0.2944]\n", + " PeriodicSite: S (13.88, 6.474, 16.51) [0.6831, 0.3187, 0.8128]\n", + " PeriodicSite: S (14.09, 16.6, 6.112) [0.6938, 0.8172, 0.3009]\n", + " PeriodicSite: S (14.21, 16.33, 16.67) [0.6995, 0.8037, 0.8204]\n", + " PeriodicSite: S (6.434, 5.754, 3.729) [0.3168, 0.2833, 0.1836]\n", + " PeriodicSite: S (6.515, 6.161, 14.07) [0.3207, 0.3033, 0.6929]\n", + " PeriodicSite: S (6.294, 16.36, 3.87) [0.3098, 0.8054, 0.1905]\n", + " PeriodicSite: S (6.595, 16.58, 14.22) [0.3247, 0.8163, 0.6999]\n", + " PeriodicSite: S (16.67, 6.18, 3.859) [0.8207, 0.3043, 0.19]\n", + " PeriodicSite: S (16.47, 6.059, 14.22) [0.8108, 0.2983, 0.6999]\n", + " PeriodicSite: S (16.45, 16.31, 3.854) [0.8096, 0.803, 0.1897]\n", + " PeriodicSite: S (16.64, 16.25, 14.09) [0.8194, 0.8, 0.6937]\n", + " PeriodicSite: S (1.35, 8.864, 5.875) [0.06645, 0.4364, 0.2892]\n", + " PeriodicSite: S (1.147, 9.287, 16.84) [0.05648, 0.4572, 0.8288]\n", + " PeriodicSite: S (1.112, 19.53, 6.374) [0.05471, 0.9617, 0.3138]\n", + " PeriodicSite: S (0.7991, 19.34, 16.76) [0.03934, 0.952, 0.8252]\n", + " PeriodicSite: S (11.12, 8.676, 6.432) [0.5473, 0.4271, 0.3166]\n", + " PeriodicSite: S (11.39, 8.394, 16.5) [0.5607, 0.4133, 0.8122]\n", + " PeriodicSite: S (11.09, 19.25, 6.643) [0.5459, 0.9478, 0.327]\n", + " PeriodicSite: S (11.03, 18.99, 16.33) [0.5431, 0.9347, 0.8042]\n", + " PeriodicSite: S (2.85, 17.69, 2.694) [0.1403, 0.8709, 0.1326]\n", + " PeriodicSite: S (2.313, 17.96, 12.87) [0.1138, 0.8844, 0.6334]\n", + " PeriodicSite: S (12.78, 7.216, 12.45) [0.6291, 0.3552, 0.613]\n", + " PeriodicSite: S (12.54, 17.57, 2.568) [0.6175, 0.8652, 0.1264]\n", + " PeriodicSite: S (4.142, 3.42, 3.661) [0.2039, 0.1684, 0.1802]\n", + " PeriodicSite: S (3.68, 4.063, 14.11) [0.1812, 0.2, 0.6947]\n", + " PeriodicSite: S (3.888, 13.91, 3.954) [0.1914, 0.6847, 0.1947]\n", + " PeriodicSite: S (4.063, 14.33, 13.96) [0.2, 0.7056, 0.6872]\n", + " PeriodicSite: S (14.0, 4.214, 3.737) [0.6892, 0.2075, 0.184]\n", + " PeriodicSite: S (14.09, 3.835, 14.37) [0.6935, 0.1888, 0.7075]\n", + " PeriodicSite: S (13.93, 13.81, 4.117) [0.6858, 0.6797, 0.2027]\n", + " PeriodicSite: S (13.98, 14.2, 14.16) [0.6881, 0.6992, 0.697]\n", + " PeriodicSite: S (8.887, 1.257, 6.591) [0.4375, 0.0619, 0.3245]\n", + " PeriodicSite: S (8.781, 1.204, 16.04) [0.4323, 0.05928, 0.7895]\n", + " PeriodicSite: S (8.824, 11.16, 6.686) [0.4344, 0.5492, 0.3292]\n", + " PeriodicSite: S (9.34, 11.25, 16.53) [0.4598, 0.5538, 0.8139]\n", + " PeriodicSite: S (18.92, 1.337, 6.158) [0.9313, 0.06581, 0.3032]\n", + " PeriodicSite: S (19.07, 1.761, 16.14) [0.9388, 0.08669, 0.7944]\n", + " PeriodicSite: S (19.16, 11.14, 6.174) [0.9435, 0.5483, 0.304]\n", + " PeriodicSite: S (19.34, 11.98, 15.99) [0.952, 0.5898, 0.7872]\n", + " PeriodicSite: S (0.8727, 1.069, 3.599) [0.04296, 0.05261, 0.1772]\n", + " PeriodicSite: S (1.155, 1.079, 14.01) [0.05687, 0.05314, 0.6896]\n", + " PeriodicSite: S (1.343, 11.81, 4.016) [0.06612, 0.5815, 0.1977]\n", + " PeriodicSite: S (1.511, 11.23, 13.9) [0.07438, 0.5531, 0.6841]\n", + " PeriodicSite: S (11.06, 0.8997, 3.951) [0.5447, 0.04429, 0.1945]\n", + " PeriodicSite: S (11.23, 1.215, 14.19) [0.5527, 0.05983, 0.6984]\n", + " PeriodicSite: S (11.52, 11.4, 4.631) [0.5674, 0.5612, 0.228]\n", + " PeriodicSite: S (11.67, 10.95, 14.13) [0.5744, 0.5389, 0.6956]\n", + " PeriodicSite: S (6.086, 3.672, 6.424) [0.2996, 0.1808, 0.3163]\n", + " PeriodicSite: S (5.996, 3.741, 16.44) [0.2952, 0.1842, 0.8093]\n", + " PeriodicSite: S (6.399, 13.98, 6.162) [0.315, 0.6882, 0.3034]\n", + " PeriodicSite: S (6.191, 14.36, 16.68) [0.3048, 0.707, 0.8213]\n", + " PeriodicSite: S (16.0, 3.954, 6.243) [0.7877, 0.1946, 0.3073]\n", + " PeriodicSite: S (16.26, 3.837, 16.65) [0.8005, 0.1889, 0.8195]\n", + " PeriodicSite: S (16.38, 14.25, 6.342) [0.8062, 0.7017, 0.3122]\n", + " PeriodicSite: S (16.48, 13.77, 16.42) [0.8113, 0.6778, 0.8085]\n", + " PeriodicSite: S (7.272, 2.659, 12.73) [0.358, 0.1309, 0.6269]\n", + " PeriodicSite: S (7.622, 12.56, 2.582) [0.3753, 0.6184, 0.1271]\n", + " PeriodicSite: S (17.2, 2.178, 2.351) [0.8468, 0.1072, 0.1158]\n", + " PeriodicSite: S (18.05, 12.8, 2.627) [0.8885, 0.6299, 0.1293]\n", + " PeriodicSite: S (17.8, 12.64, 12.64) [0.8766, 0.622, 0.6223]\n", + " PeriodicSite: S (3.748, 9.217, 9.191) [0.1845, 0.4538, 0.4525]\n", + " PeriodicSite: S (3.825, 8.991, 19.03) [0.1883, 0.4426, 0.9368]\n", + " PeriodicSite: S (3.863, 18.95, 8.773) [0.1902, 0.9329, 0.4319]\n", + " PeriodicSite: S (4.294, 19.3, 19.02) [0.2114, 0.9504, 0.9365]\n", + " PeriodicSite: S (14.06, 9.019, 8.614) [0.692, 0.444, 0.4241]\n", + " PeriodicSite: S (14.13, 8.903, 19.29) [0.6959, 0.4383, 0.9497]\n", + " PeriodicSite: S (13.6, 19.53, 9.402) [0.6698, 0.9614, 0.4629]\n", + " PeriodicSite: S (13.65, 19.06, 18.97) [0.6718, 0.9382, 0.9337]\n", + " PeriodicSite: S (9.106, 6.56, 0.9808) [0.4483, 0.323, 0.04829]\n", + " PeriodicSite: S (8.915, 6.764, 11.03) [0.4389, 0.333, 0.5433]\n", + " PeriodicSite: S (9.09, 16.09, 1.035) [0.4475, 0.7923, 0.05098]\n", + " PeriodicSite: S (8.691, 16.03, 11.53) [0.4279, 0.789, 0.5676]\n", + " PeriodicSite: S (19.32, 6.061, 1.427) [0.9513, 0.2984, 0.07025]\n", + " PeriodicSite: S (18.72, 6.25, 11.46) [0.9217, 0.3077, 0.564]\n", + " PeriodicSite: S (19.16, 16.28, 0.6685) [0.9434, 0.8016, 0.03292]\n", + " PeriodicSite: S (18.85, 16.45, 11.12) [0.9279, 0.8099, 0.5475]\n", + " PeriodicSite: S (1.079, 6.503, 9.275) [0.05312, 0.3201, 0.4566]\n", + " PeriodicSite: S (0.8401, 6.286, 19.06) [0.04136, 0.3095, 0.9383]\n", + " PeriodicSite: S (0.6516, 16.39, 8.633) [0.03208, 0.8071, 0.425]\n", + " PeriodicSite: S (1.108, 16.14, 18.67) [0.05454, 0.7944, 0.9191]\n", + " PeriodicSite: S (11.23, 6.095, 8.972) [0.5528, 0.3001, 0.4417]\n", + " PeriodicSite: S (11.58, 6.418, 18.8) [0.5702, 0.3159, 0.9254]\n", + " PeriodicSite: S (11.36, 16.2, 9.409) [0.5593, 0.7976, 0.4632]\n", + " PeriodicSite: S (11.31, 16.34, 19.08) [0.5566, 0.8042, 0.9395]\n", + " PeriodicSite: S (5.987, 8.958, 1.517) [0.2947, 0.441, 0.07468]\n", + " PeriodicSite: S (6.142, 9.119, 11.48) [0.3024, 0.449, 0.5654]\n", + " PeriodicSite: S (6.258, 19.41, 1.677) [0.3081, 0.9556, 0.08258]\n", + " PeriodicSite: S (5.949, 18.81, 11.43) [0.2929, 0.926, 0.5627]\n", + " PeriodicSite: S (16.93, 9.144, 0.791) [0.8336, 0.4501, 0.03895]\n", + " PeriodicSite: S (16.03, 8.927, 11.55) [0.789, 0.4395, 0.5684]\n", + " PeriodicSite: S (16.16, 18.89, 0.9112) [0.7955, 0.9299, 0.04486]\n", + " PeriodicSite: S (16.34, 19.65, 11.39) [0.8046, 0.9672, 0.5608]\n", + " PeriodicSite: S (7.57, 7.691, 17.82) [0.3727, 0.3786, 0.8775]\n", + " PeriodicSite: S (7.789, 17.37, 8.015) [0.3834, 0.8551, 0.3946]\n", + " PeriodicSite: S (17.79, 7.629, 7.467) [0.8758, 0.3756, 0.3676]\n", + " PeriodicSite: S (17.42, 17.83, 7.734) [0.8574, 0.8778, 0.3808]\n", + " PeriodicSite: P (5.14, 0.1103, 0.1706) [0.253, 0.005426, 0.008401]\n", + " PeriodicSite: P (5.003, 20.01, 10.05) [0.2463, 0.9851, 0.4947]\n", + " PeriodicSite: P (4.943, 9.968, 0.08483) [0.2433, 0.4908, 0.004178]\n", + " PeriodicSite: P (4.921, 10.33, 10.5) [0.2423, 0.5086, 0.5168]\n", + " PeriodicSite: P (14.99, 20.17, 20.2) [0.7381, 0.9929, 0.9945]\n", + " PeriodicSite: P (15.12, 0.5411, 10.21) [0.7443, 0.02663, 0.5026]\n", + " PeriodicSite: P (15.5, 10.14, 20.09) [0.7631, 0.4991, 0.989]\n", + " PeriodicSite: P (15.03, 10.02, 10.14) [0.7399, 0.4935, 0.499]\n", + " PeriodicSite: P (5.025, 4.738, 4.976) [0.2474, 0.2333, 0.245]\n", + " PeriodicSite: P (5.094, 5.094, 15.08) [0.2508, 0.2508, 0.7424]\n", + " PeriodicSite: P (5.181, 15.09, 5.016) [0.255, 0.7431, 0.2469]\n", + " PeriodicSite: P (5.215, 15.45, 15.27) [0.2568, 0.7607, 0.7515]\n", + " PeriodicSite: P (15.14, 5.306, 5.063) [0.7455, 0.2612, 0.2493]\n", + " PeriodicSite: P (15.09, 5.166, 15.48) [0.7429, 0.2543, 0.7619]\n", + " PeriodicSite: P (15.13, 15.15, 5.061) [0.745, 0.746, 0.2492]\n", + " PeriodicSite: P (15.3, 15.18, 15.35) [0.7535, 0.7474, 0.7555]\n", + " PeriodicSite: P (20.16, 0.1628, 5.013) [0.9927, 0.008008, 0.2468]\n", + " PeriodicSite: P (20.19, 0.171, 15.26) [0.994, 0.008412, 0.7513]\n", + " PeriodicSite: P (0.1179, 10.31, 4.767) [0.005803, 0.5078, 0.2347]\n", + " PeriodicSite: P (0.136, 10.37, 15.24) [0.006697, 0.5107, 0.75]\n", + " PeriodicSite: P (9.963, 0.02885, 5.343) [0.4905, 0.001416, 0.263]\n", + " PeriodicSite: P (9.956, 20.19, 15.08) [0.4901, 0.9938, 0.7423]\n", + " PeriodicSite: P (10.07, 10.2, 5.393) [0.4956, 0.5021, 0.2655]\n", + " PeriodicSite: P (10.43, 9.904, 15.32) [0.5137, 0.4876, 0.7544]\n", + " PeriodicSite: P (0.4047, 4.997, 0.2613) [0.01992, 0.246, 0.01286]\n", + " PeriodicSite: P (20.17, 5.15, 10.43) [0.9932, 0.2535, 0.5133]\n", + " PeriodicSite: P (0.06385, 14.96, 20.04) [0.003142, 0.7367, 0.9865]\n", + " PeriodicSite: P (19.87, 15.3, 9.908) [0.9781, 0.7532, 0.4878]\n", + " PeriodicSite: P (10.28, 5.394, 19.96) [0.5062, 0.2655, 0.9825]\n", + " PeriodicSite: P (9.826, 5.17, 10.08) [0.4837, 0.2545, 0.4963]\n", + " PeriodicSite: P (10.23, 15.04, 20.12) [0.5035, 0.7406, 0.9903]\n", + " PeriodicSite: P (10.0, 14.97, 10.33) [0.4924, 0.737, 0.5084],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.8878, 6.074, 3.724) [0.0437, 0.299, 0.1834]\n", + " PeriodicSite: Li (0.7486, 3.406, 14.0) [0.03686, 0.1677, 0.6893]\n", + " PeriodicSite: Li (0.4097, 12.83, 6.552) [0.02017, 0.6318, 0.3226]\n", + " PeriodicSite: Li (0.3235, 14.04, 17.17) [0.01592, 0.691, 0.8453]\n", + " PeriodicSite: Li (14.43, 0.4942, 7.254) [0.7106, 0.02432, 0.3571]\n", + " PeriodicSite: Li (10.7, 3.387, 16.89) [0.5267, 0.1667, 0.8315]\n", + " PeriodicSite: Li (14.06, 10.66, 3.641) [0.6923, 0.5247, 0.1792]\n", + " PeriodicSite: Li (16.77, 7.708, 15.69) [0.8257, 0.3795, 0.7724]\n", + " PeriodicSite: Li (4.088, 4.678, 8.3) [0.2013, 0.2303, 0.4086]\n", + " PeriodicSite: Li (1.965, 2.254, 20.13) [0.09675, 0.111, 0.9911]\n", + " PeriodicSite: Li (3.488, 8.052, 5.152) [0.1717, 0.3964, 0.2536]\n", + " PeriodicSite: Li (7.048, 9.963, 17.15) [0.347, 0.4905, 0.8443]\n", + " PeriodicSite: Li (12.46, 4.753, 6.274) [0.6136, 0.234, 0.3089]\n", + " PeriodicSite: Li (12.96, 20.09, 17.17) [0.6379, 0.9888, 0.8454]\n", + " PeriodicSite: Li (10.63, 8.767, 12.47) [0.5232, 0.4316, 0.6139]\n", + " PeriodicSite: Li (9.13, 18.08, 19.79) [0.4495, 0.89, 0.9741]\n", + " PeriodicSite: Li (6.101, 1.445, 6.824) [0.3004, 0.07112, 0.336]\n", + " PeriodicSite: Li (4.534, 19.92, 13.31) [0.2232, 0.9805, 0.6554]\n", + " PeriodicSite: Li (3.181, 10.38, 6.681) [0.1566, 0.5112, 0.3289]\n", + " PeriodicSite: Li (7.121, 10.32, 13.3) [0.3506, 0.5079, 0.6549]\n", + " PeriodicSite: Li (12.02, 0.9526, 8.808) [0.5916, 0.04689, 0.4336]\n", + " PeriodicSite: Li (10.73, 1.859, 20.02) [0.5285, 0.09149, 0.9856]\n", + " PeriodicSite: Li (13.32, 14.7, 8.701) [0.6558, 0.7236, 0.4283]\n", + " PeriodicSite: Li (12.53, 9.455, 0.4565) [0.617, 0.4655, 0.02248]\n", + " PeriodicSite: Li (0.428, 2.757, 6.267) [0.02107, 0.1357, 0.3085]\n", + " PeriodicSite: Li (0.1988, 3.392, 17.53) [0.009792, 0.167, 0.8631]\n", + " PeriodicSite: Li (2.166, 14.92, 7.004) [0.1066, 0.7345, 0.3448]\n", + " PeriodicSite: Li (3.519, 15.27, 18.42) [0.1732, 0.7518, 0.9068]\n", + " PeriodicSite: Li (13.4, 2.044, 5.383) [0.6598, 0.1006, 0.265]\n", + " PeriodicSite: Li (14.25, 2.218, 16.01) [0.7015, 0.1092, 0.7882]\n", + " PeriodicSite: Li (12.32, 10.98, 9.178) [0.6067, 0.5407, 0.4518]\n", + " PeriodicSite: Li (16.43, 17.12, 19.6) [0.8091, 0.8426, 0.9651]\n", + " PeriodicSite: Li (5.835, 1.441, 3.313) [0.2873, 0.07095, 0.1631]\n", + " PeriodicSite: Li (0.1238, 17.72, 2.524) [0.006085, 0.8724, 0.1242]\n", + " PeriodicSite: Li (2.864, 13.8, 9.738) [0.141, 0.6794, 0.4794]\n", + " PeriodicSite: Li (2.317, 16.25, 14.58) [0.1141, 0.7998, 0.718]\n", + " PeriodicSite: Li (15.21, 3.565, 8.133) [0.7488, 0.1755, 0.4004]\n", + " PeriodicSite: Li (13.8, 6.749, 19.45) [0.6792, 0.3323, 0.9576]\n", + " PeriodicSite: Li (16.69, 15.05, 8.642) [0.8215, 0.7408, 0.4255]\n", + " PeriodicSite: Li (10.62, 11.29, 18.65) [0.5228, 0.556, 0.9182]\n", + " PeriodicSite: Li (3.298, 1.996, 5.115) [0.1623, 0.09826, 0.2518]\n", + " PeriodicSite: Li (3.091, 0.3674, 17.1) [0.1522, 0.01809, 0.8419]\n", + " PeriodicSite: Li (4.694, 12.53, 5.551) [0.2311, 0.617, 0.2733]\n", + " PeriodicSite: Li (18.47, 14.92, 3.764) [0.9092, 0.7343, 0.1853]\n", + " PeriodicSite: Li (10.28, 2.638, 7.321) [0.5059, 0.1299, 0.3604]\n", + " PeriodicSite: Li (17.24, 0.7546, 15.09) [0.8488, 0.03714, 0.743]\n", + " PeriodicSite: Li (14.92, 12.41, 5.881) [0.7344, 0.6108, 0.2895]\n", + " PeriodicSite: Li (14.18, 8.707, 16.72) [0.6983, 0.4287, 0.8229]\n", + " PeriodicSite: Li (3.862, 12.47, 15.45) [0.1901, 0.6141, 0.7606]\n", + " PeriodicSite: Li (1.716, 10.99, 9.99) [0.08449, 0.5409, 0.4918]\n", + " PeriodicSite: Li (2.389, 15.91, 4.051) [0.1176, 0.7833, 0.1995]\n", + " PeriodicSite: Li (0.6379, 2.327, 9.822) [0.03141, 0.1146, 0.4836]\n", + " PeriodicSite: Li (13.63, 5.097, 1.297) [0.671, 0.2509, 0.06384]\n", + " PeriodicSite: Li (12.49, 7.494, 15.0) [0.6148, 0.3689, 0.7382]\n", + " PeriodicSite: Li (11.07, 12.58, 6.553) [0.5448, 0.6193, 0.3226]\n", + " PeriodicSite: Li (12.77, 19.81, 13.85) [0.6286, 0.9751, 0.6819]\n", + " PeriodicSite: Li (4.529, 6.575, 1.643) [0.223, 0.3237, 0.08089]\n", + " PeriodicSite: Li (2.927, 5.245, 11.28) [0.1441, 0.2582, 0.5552]\n", + " PeriodicSite: Li (5.881, 17.09, 18.87) [0.2895, 0.8414, 0.929]\n", + " PeriodicSite: Li (2.264, 19.05, 14.88) [0.1114, 0.9376, 0.7325]\n", + " PeriodicSite: Li (14.62, 2.757, 19.38) [0.7197, 0.1357, 0.9541]\n", + " PeriodicSite: Li (11.64, 5.494, 13.29) [0.573, 0.2705, 0.6544]\n", + " PeriodicSite: Li (12.44, 15.41, 3.605) [0.6124, 0.7587, 0.1775]\n", + " PeriodicSite: Li (9.741, 17.17, 14.51) [0.4795, 0.8454, 0.7142]\n", + " PeriodicSite: Li (3.717, 10.25, 17.29) [0.183, 0.5045, 0.8511]\n", + " PeriodicSite: Li (4.998, 7.163, 11.48) [0.246, 0.3527, 0.5654]\n", + " PeriodicSite: Li (5.952, 16.79, 1.822) [0.293, 0.8264, 0.08969]\n", + " PeriodicSite: Li (2.749, 16.54, 10.27) [0.1353, 0.8145, 0.5054]\n", + " PeriodicSite: Li (10.47, 7.433, 2.61) [0.5155, 0.3659, 0.1285]\n", + " PeriodicSite: Li (15.04, 6.509, 12.08) [0.7407, 0.3204, 0.5947]\n", + " PeriodicSite: Li (10.62, 18.85, 2.675) [0.5227, 0.9282, 0.1317]\n", + " PeriodicSite: Li (13.19, 15.37, 12.02) [0.6495, 0.7565, 0.5917]\n", + " PeriodicSite: Li (1.976, 7.866, 0.3235) [0.09726, 0.3873, 0.01593]\n", + " PeriodicSite: Li (17.16, 5.383, 7.931) [0.845, 0.265, 0.3905]\n", + " PeriodicSite: Li (2.593, 18.87, 4.708) [0.1277, 0.929, 0.2318]\n", + " PeriodicSite: Li (1.792, 19.64, 11.37) [0.0882, 0.9668, 0.5595]\n", + " PeriodicSite: Li (9.36, 7.495, 5.798) [0.4608, 0.369, 0.2854]\n", + " PeriodicSite: Li (13.11, 11.65, 15.93) [0.6453, 0.5736, 0.7843]\n", + " PeriodicSite: Li (14.8, 16.75, 1.772) [0.7288, 0.8247, 0.08723]\n", + " PeriodicSite: Li (11.91, 14.87, 16.75) [0.5861, 0.7323, 0.8248]\n", + " PeriodicSite: Li (6.393, 8.564, 5.131) [0.3147, 0.4216, 0.2526]\n", + " PeriodicSite: Li (19.79, 12.92, 12.92) [0.9743, 0.6359, 0.636]\n", + " PeriodicSite: Li (18.93, 16.68, 6.414) [0.9319, 0.8212, 0.3158]\n", + " PeriodicSite: Li (6.783, 18.5, 15.33) [0.3339, 0.9108, 0.7547]\n", + " PeriodicSite: Li (17.16, 10.63, 2.711) [0.845, 0.5232, 0.1335]\n", + " PeriodicSite: Li (12.92, 7.016, 10.42) [0.636, 0.3454, 0.5131]\n", + " PeriodicSite: Li (12.88, 15.5, 0.36) [0.6339, 0.7628, 0.01773]\n", + " PeriodicSite: Li (11.88, 18.43, 10.61) [0.5848, 0.9075, 0.5225]\n", + " PeriodicSite: Li (4.916, 3.095, 18.53) [0.242, 0.1524, 0.9123]\n", + " PeriodicSite: Li (4.118, 10.43, 13.33) [0.2027, 0.5136, 0.6563]\n", + " PeriodicSite: Li (4.004, 19.49, 2.601) [0.1971, 0.9595, 0.128]\n", + " PeriodicSite: Li (0.1839, 16.66, 12.68) [0.009047, 0.8201, 0.6241]\n", + " PeriodicSite: Li (13.96, 9.063, 6.361) [0.6871, 0.4462, 0.3132]\n", + " PeriodicSite: Li (14.18, 9.335, 13.17) [0.6979, 0.4596, 0.6482]\n", + " PeriodicSite: Li (13.16, 18.58, 4.858) [0.6481, 0.9146, 0.2392]\n", + " PeriodicSite: Li (18.28, 4.589, 14.68) [0.9001, 0.2259, 0.7226]\n", + " PeriodicSite: Li (9.368, 4.395, 2.669) [0.4612, 0.2163, 0.1314]\n", + " PeriodicSite: Li (9.828, 2.78, 12.35) [0.4839, 0.1369, 0.608]\n", + " PeriodicSite: Li (7.297, 11.51, 4.444) [0.3592, 0.5668, 0.2188]\n", + " PeriodicSite: Li (7.217, 12.39, 15.32) [0.3553, 0.6102, 0.754]\n", + " PeriodicSite: Li (18.3, 4.387, 4.327) [0.9007, 0.216, 0.213]\n", + " PeriodicSite: Li (13.25, 4.14, 9.73) [0.6523, 0.2038, 0.479]\n", + " PeriodicSite: Li (0.05428, 12.28, 2.409) [0.002667, 0.6047, 0.1186]\n", + " PeriodicSite: Li (17.24, 10.15, 13.18) [0.8489, 0.4995, 0.6487]\n", + " PeriodicSite: Li (6.551, 18.83, 5.557) [0.3225, 0.927, 0.2736]\n", + " PeriodicSite: Li (7.885, 3.793, 14.47) [0.3882, 0.1867, 0.7122]\n", + " PeriodicSite: Li (4.526, 13.01, 19.24) [0.2228, 0.6403, 0.9471]\n", + " PeriodicSite: Li (10.07, 13.13, 13.58) [0.4957, 0.6462, 0.6687]\n", + " PeriodicSite: Li (14.01, 19.81, 2.874) [0.6899, 0.9753, 0.1415]\n", + " PeriodicSite: Li (18.72, 0.6599, 11.86) [0.9216, 0.03248, 0.5838]\n", + " PeriodicSite: Li (17.7, 14.24, 0.7985) [0.8716, 0.7011, 0.03932]\n", + " PeriodicSite: Li (16.79, 14.87, 12.11) [0.8264, 0.7322, 0.5961]\n", + " PeriodicSite: Li (8.358, 3.951, 5.479) [0.4115, 0.1945, 0.2697]\n", + " PeriodicSite: Li (7.94, 0.3956, 11.53) [0.3909, 0.01947, 0.5677]\n", + " PeriodicSite: Li (9.916, 11.99, 2.21) [0.4882, 0.5905, 0.1088]\n", + " PeriodicSite: Li (5.805, 13.85, 11.92) [0.2858, 0.6818, 0.5868]\n", + " PeriodicSite: Li (20.26, 2.94, 2.31) [0.9975, 0.1447, 0.1137]\n", + " PeriodicSite: Li (0.2405, 8.091, 11.88) [0.01184, 0.3983, 0.5847]\n", + " PeriodicSite: Li (15.4, 13.45, 1.905) [0.7583, 0.6623, 0.09378]\n", + " PeriodicSite: Li (15.7, 12.15, 14.15) [0.7727, 0.598, 0.6966]\n", + " PeriodicSite: Li (2.983, 0.03317, 7.237) [0.1469, 0.001632, 0.3563]\n", + " PeriodicSite: Li (7.192, 0.9749, 14.54) [0.3541, 0.04799, 0.7158]\n", + " PeriodicSite: Li (5.479, 13.4, 1.929) [0.2697, 0.6597, 0.09498]\n", + " PeriodicSite: Li (9.098, 7.136, 16.04) [0.4479, 0.3513, 0.7895]\n", + " PeriodicSite: Li (17.08, 4.927, 1.778) [0.8409, 0.2425, 0.08754]\n", + " PeriodicSite: Li (15.24, 18.35, 13.01) [0.7501, 0.9032, 0.6404]\n", + " PeriodicSite: Li (13.44, 12.98, 20.28) [0.6617, 0.639, 0.9984]\n", + " PeriodicSite: Li (18.73, 12.05, 10.47) [0.922, 0.5932, 0.5155]\n", + " PeriodicSite: Li (6.955, 7.35, 20.14) [0.3424, 0.3618, 0.9916]\n", + " PeriodicSite: Li (5.025, 3.102, 12.14) [0.2474, 0.1527, 0.5978]\n", + " PeriodicSite: Li (7.437, 10.81, 1.097) [0.3661, 0.5324, 0.054]\n", + " PeriodicSite: Li (8.284, 11.81, 10.45) [0.4078, 0.5814, 0.5142]\n", + " PeriodicSite: Li (15.28, 2.303, 2.447) [0.752, 0.1134, 0.1205]\n", + " PeriodicSite: Li (16.82, 4.12, 11.08) [0.8283, 0.2028, 0.5455]\n", + " PeriodicSite: Li (1.626, 10.89, 18.98) [0.08007, 0.5361, 0.9344]\n", + " PeriodicSite: Li (18.13, 13.6, 14.74) [0.8928, 0.6695, 0.7257]\n", + " PeriodicSite: Li (8.113, 0.94, 0.9765) [0.3994, 0.04627, 0.04808]\n", + " PeriodicSite: Li (6.637, 2.976, 10.1) [0.3267, 0.1465, 0.4971]\n", + " PeriodicSite: Li (8.222, 14.59, 3.896) [0.4048, 0.7181, 0.1918]\n", + " PeriodicSite: Li (4.999, 16.38, 12.22) [0.2461, 0.8062, 0.6016]\n", + " PeriodicSite: Li (17.15, 2.855, 0.1314) [0.8444, 0.1406, 0.006475]\n", + " PeriodicSite: Li (1.949, 7.657, 14.71) [0.09593, 0.377, 0.7241]\n", + " PeriodicSite: Li (4.937, 13.54, 8.052) [0.243, 0.6666, 0.3964]\n", + " PeriodicSite: Li (15.39, 12.81, 10.73) [0.7577, 0.6305, 0.528]\n", + " PeriodicSite: Li (17.61, 12.19, 4.904) [0.867, 0.6, 0.2414]\n", + " PeriodicSite: Li (5.748, 8.269, 15.44) [0.283, 0.4071, 0.7601]\n", + " PeriodicSite: Li (6.994, 16.27, 9.971) [0.3443, 0.8012, 0.4909]\n", + " PeriodicSite: Li (2.05, 19.15, 0.7469) [0.1009, 0.9428, 0.03677]\n", + " PeriodicSite: Li (16.84, 9.725, 7.495) [0.8291, 0.4788, 0.369]\n", + " PeriodicSite: Li (3.017, 4.901, 18.18) [0.1485, 0.2413, 0.8952]\n", + " PeriodicSite: Li (16.55, 1.743, 4.82) [0.8149, 0.08579, 0.2373]\n", + " PeriodicSite: Li (19.68, 18.06, 18.59) [0.9689, 0.889, 0.9152]\n", + " PeriodicSite: Li (5.815, 9.831, 7.576) [0.2863, 0.484, 0.373]\n", + " PeriodicSite: Li (7.178, 5.078, 18.52) [0.3534, 0.25, 0.9116]\n", + " PeriodicSite: Li (8.58, 20.16, 8.145) [0.4224, 0.9925, 0.401]\n", + " PeriodicSite: Li (8.208, 15.32, 16.95) [0.4041, 0.754, 0.8345]\n", + " PeriodicSite: Li (18.06, 7.67, 9.861) [0.8891, 0.3776, 0.4855]\n", + " PeriodicSite: Li (19.35, 7.546, 20.11) [0.9527, 0.3715, 0.9899]\n", + " PeriodicSite: Li (17.78, 20.18, 7.819) [0.8754, 0.9933, 0.385]\n", + " PeriodicSite: Li (18.46, 17.23, 15.41) [0.9086, 0.8481, 0.7585]\n", + " PeriodicSite: Li (7.073, 5.936, 8.69) [0.3482, 0.2922, 0.4278]\n", + " PeriodicSite: Li (3.747, 2.291, 15.46) [0.1845, 0.1128, 0.7612]\n", + " PeriodicSite: Li (9.073, 17.93, 9.667) [0.4467, 0.8827, 0.4759]\n", + " PeriodicSite: Li (16.8, 10.66, 16.75) [0.8273, 0.5248, 0.8245]\n", + " PeriodicSite: Li (19.64, 9.222, 8.158) [0.9671, 0.454, 0.4016]\n", + " PeriodicSite: Li (16.32, 5.914, 18.18) [0.8034, 0.2911, 0.8951]\n", + " PeriodicSite: Li (15.69, 17.83, 9.601) [0.7722, 0.8779, 0.4727]\n", + " PeriodicSite: Li (14.97, 14.08, 18.22) [0.7368, 0.6933, 0.8971]\n", + " PeriodicSite: Li (10.12, 8.447, 8.618) [0.4984, 0.4159, 0.4243]\n", + " PeriodicSite: Li (6.488, 4.477, 1.492) [0.3194, 0.2204, 0.07347]\n", + " PeriodicSite: Li (5.253, 17.05, 8.167) [0.2586, 0.8392, 0.4021]\n", + " PeriodicSite: Li (7.478, 14.08, 0.7719) [0.3681, 0.6933, 0.038]\n", + " PeriodicSite: Li (15.2, 7.201, 8.337) [0.7483, 0.3545, 0.4104]\n", + " PeriodicSite: Li (19.85, 7.167, 16.14) [0.9773, 0.3528, 0.7945]\n", + " PeriodicSite: Li (16.4, 18.6, 5.348) [0.8074, 0.9158, 0.2633]\n", + " PeriodicSite: Li (15.53, 18.23, 16.38) [0.7645, 0.8973, 0.8063]\n", + " PeriodicSite: Li (7.215, 5.184, 11.8) [0.3552, 0.2552, 0.5808]\n", + " PeriodicSite: Li (4.88, 7.399, 18.38) [0.2402, 0.3643, 0.905]\n", + " PeriodicSite: Li (9.963, 17.41, 6.142) [0.4905, 0.8572, 0.3024]\n", + " PeriodicSite: Li (12.56, 18.44, 0.08434) [0.6185, 0.9079, 0.004157]\n", + " PeriodicSite: Li (17.54, 8.013, 5.42) [0.8637, 0.3945, 0.2668]\n", + " PeriodicSite: Li (15.56, 7.198, 1.61) [0.766, 0.3544, 0.07926]\n", + " PeriodicSite: Li (19.07, 18.22, 9.316) [0.9389, 0.8969, 0.4586]\n", + " PeriodicSite: Li (18.13, 0.07698, 2.034) [0.8926, 0.003782, 0.1002]\n", + " PeriodicSite: Li (3.452, 10.5, 3.336) [0.1699, 0.5169, 0.1642]\n", + " PeriodicSite: Li (9.401, 7.819, 19.0) [0.4628, 0.3849, 0.9355]\n", + " PeriodicSite: Li (7.755, 15.2, 7.57) [0.3818, 0.7482, 0.3727]\n", + " PeriodicSite: Li (6.314, 20.06, 17.7) [0.3109, 0.9878, 0.8715]\n", + " PeriodicSite: Li (20.18, 6.024, 7.558) [0.9933, 0.2966, 0.3721]\n", + " PeriodicSite: Li (18.32, 11.71, 20.27) [0.9021, 0.5763, 0.998]\n", + " PeriodicSite: Li (2.746, 15.84, 1.336) [0.1352, 0.7799, 0.06577]\n", + " PeriodicSite: Li (15.02, 1.871, 13.46) [0.7395, 0.09209, 0.6628]\n", + " PeriodicSite: Cl (7.853, 12.32, 12.83) [0.3866, 0.6064, 0.6319]\n", + " PeriodicSite: Cl (2.703, 12.44, 17.6) [0.1331, 0.6125, 0.8664]\n", + " PeriodicSite: Cl (12.78, 17.77, 12.59) [0.6293, 0.8746, 0.6196]\n", + " PeriodicSite: Cl (17.99, 7.56, 17.63) [0.8856, 0.3722, 0.868]\n", + " PeriodicSite: Cl (7.666, 2.948, 2.69) [0.3774, 0.1451, 0.1324]\n", + " PeriodicSite: Cl (7.748, 8.291, 7.57) [0.3814, 0.4082, 0.3727]\n", + " PeriodicSite: Cl (13.05, 12.54, 7.466) [0.6424, 0.6175, 0.3676]\n", + " PeriodicSite: Cl (2.738, 7.763, 2.532) [0.1348, 0.3822, 0.1247]\n", + " PeriodicSite: Cl (2.486, 7.767, 12.44) [0.1224, 0.3824, 0.6126]\n", + " PeriodicSite: Cl (12.76, 12.89, 17.96) [0.628, 0.6345, 0.8842]\n", + " PeriodicSite: Cl (17.59, 17.37, 17.6) [0.8658, 0.8549, 0.8663]\n", + " PeriodicSite: Cl (2.555, 2.389, 7.394) [0.1258, 0.1176, 0.364]\n", + " PeriodicSite: Cl (12.54, 2.362, 17.91) [0.6173, 0.1163, 0.8816]\n", + " PeriodicSite: Cl (12.79, 7.633, 2.162) [0.6296, 0.3758, 0.1064]\n", + " PeriodicSite: Cl (17.84, 2.633, 12.73) [0.8782, 0.1296, 0.6265]\n", + " PeriodicSite: Cl (7.749, 18.15, 18.02) [0.3815, 0.8936, 0.887]\n", + " PeriodicSite: Cl (20.19, 19.49, 0.6063) [0.9939, 0.9595, 0.02986]\n", + " PeriodicSite: Cl (20.09, 0.03794, 10.18) [0.9892, 0.00186, 0.5011]\n", + " PeriodicSite: Cl (0.06978, 9.585, 0.3441) [0.003431, 0.4719, 0.01694]\n", + " PeriodicSite: Cl (20.13, 9.873, 10.34) [0.991, 0.4861, 0.5092]\n", + " PeriodicSite: Cl (10.14, 19.98, 0.3056) [0.4993, 0.9836, 0.01505]\n", + " PeriodicSite: Cl (9.929, 20.2, 10.25) [0.4888, 0.9943, 0.5048]\n", + " PeriodicSite: Cl (9.921, 10.3, 0.2555) [0.4884, 0.507, 0.01258]\n", + " PeriodicSite: Cl (10.21, 10.4, 10.32) [0.5028, 0.5121, 0.5079]\n", + " PeriodicSite: Cl (20.19, 4.974, 5.488) [0.9938, 0.2449, 0.2702]\n", + " PeriodicSite: Cl (0.1133, 5.093, 15.69) [0.005581, 0.2507, 0.7726]\n", + " PeriodicSite: Cl (0.08308, 15.34, 5.484) [0.004085, 0.7551, 0.27]\n", + " PeriodicSite: Cl (20.23, 15.54, 14.92) [0.996, 0.7648, 0.7347]\n", + " PeriodicSite: Cl (10.26, 4.905, 4.796) [0.5052, 0.2415, 0.2361]\n", + " PeriodicSite: Cl (10.04, 4.923, 15.1) [0.4941, 0.2424, 0.7433]\n", + " PeriodicSite: Cl (10.01, 14.82, 5.304) [0.4928, 0.7295, 0.2611]\n", + " PeriodicSite: Cl (9.987, 14.61, 15.46) [0.4917, 0.7193, 0.761]\n", + " PeriodicSite: S (4.652, 20.31, 4.997) [0.229, 0.9998, 0.246]\n", + " PeriodicSite: S (4.982, 0.06456, 15.68) [0.2453, 0.003177, 0.772]\n", + " PeriodicSite: S (5.004, 10.26, 5.204) [0.2464, 0.5051, 0.2562]\n", + " PeriodicSite: S (5.37, 10.49, 15.46) [0.2644, 0.5166, 0.7609]\n", + " PeriodicSite: S (14.87, 0.1054, 5.042) [0.7319, 0.005183, 0.2482]\n", + " PeriodicSite: S (14.83, 20.27, 15.01) [0.7303, 0.9979, 0.7392]\n", + " PeriodicSite: S (15.92, 10.45, 5.118) [0.7836, 0.5144, 0.252]\n", + " PeriodicSite: S (15.29, 9.895, 15.04) [0.7525, 0.4871, 0.7404]\n", + " PeriodicSite: S (5.239, 5.342, 20.05) [0.2579, 0.263, 0.9873]\n", + " PeriodicSite: S (5.219, 4.997, 10.45) [0.2569, 0.246, 0.5143]\n", + " PeriodicSite: S (4.976, 15.2, 0.1207) [0.2449, 0.7484, 0.005945]\n", + " PeriodicSite: S (4.934, 15.37, 10.05) [0.2429, 0.7566, 0.4945]\n", + " PeriodicSite: S (15.55, 5.091, 0.04504) [0.7653, 0.2506, 0.002222]\n", + " PeriodicSite: S (15.39, 5.382, 9.695) [0.7574, 0.2649, 0.4773]\n", + " PeriodicSite: S (15.2, 15.13, 0.1231) [0.7481, 0.7449, 0.006067]\n", + " PeriodicSite: S (15.07, 15.09, 10.28) [0.742, 0.7429, 0.5059]\n", + " PeriodicSite: S (8.937, 3.975, 8.812) [0.44, 0.1957, 0.4338]\n", + " PeriodicSite: S (9.011, 3.416, 19.14) [0.4436, 0.1682, 0.9421]\n", + " PeriodicSite: S (8.882, 13.99, 9.288) [0.4373, 0.6886, 0.4573]\n", + " PeriodicSite: S (8.679, 14.03, 19.07) [0.4273, 0.6905, 0.9391]\n", + " PeriodicSite: S (19.17, 4.041, 9.107) [0.944, 0.1989, 0.4484]\n", + " PeriodicSite: S (19.58, 3.468, 19.69) [0.9638, 0.1707, 0.9694]\n", + " PeriodicSite: S (18.97, 13.76, 8.749) [0.9338, 0.6775, 0.4307]\n", + " PeriodicSite: S (19.24, 13.74, 19.06) [0.9473, 0.6766, 0.9381]\n", + " PeriodicSite: S (3.671, 1.179, 1.342) [0.1807, 0.05802, 0.06609]\n", + " PeriodicSite: S (3.808, 0.8512, 11.41) [0.1875, 0.0419, 0.5617]\n", + " PeriodicSite: S (3.827, 11.54, 1.029) [0.1884, 0.5682, 0.05067]\n", + " PeriodicSite: S (3.936, 12.02, 11.46) [0.1938, 0.5915, 0.5641]\n", + " PeriodicSite: S (13.83, 1.113, 0.9719) [0.6809, 0.0548, 0.04785]\n", + " PeriodicSite: S (14.12, 1.86, 11.42) [0.6952, 0.09155, 0.5622]\n", + " PeriodicSite: S (14.14, 11.05, 1.171) [0.696, 0.544, 0.05764]\n", + " PeriodicSite: S (13.92, 11.11, 11.28) [0.6853, 0.5472, 0.5553]\n", + " PeriodicSite: S (6.484, 0.784, 9.246) [0.3192, 0.03859, 0.4552]\n", + " PeriodicSite: S (6.161, 1.458, 19.55) [0.3033, 0.07177, 0.9626]\n", + " PeriodicSite: S (6.359, 11.69, 9.32) [0.3131, 0.5753, 0.4588]\n", + " PeriodicSite: S (6.283, 11.19, 19.21) [0.3093, 0.551, 0.9455]\n", + " PeriodicSite: S (16.14, 1.3, 8.703) [0.7944, 0.06399, 0.4285]\n", + " PeriodicSite: S (16.26, 1.114, 18.97) [0.8004, 0.05483, 0.9341]\n", + " PeriodicSite: S (16.5, 11.21, 9.248) [0.8126, 0.5519, 0.4553]\n", + " PeriodicSite: S (16.38, 11.54, 18.97) [0.8064, 0.5682, 0.9341]\n", + " PeriodicSite: S (1.829, 4.281, 1.289) [0.09007, 0.2108, 0.06346]\n", + " PeriodicSite: S (0.7816, 3.609, 11.66) [0.03848, 0.1777, 0.5739]\n", + " PeriodicSite: S (1.351, 13.72, 0.9835) [0.0665, 0.6755, 0.04842]\n", + " PeriodicSite: S (0.7764, 14.23, 11.25) [0.03822, 0.7005, 0.554]\n", + " PeriodicSite: S (11.4, 3.735, 0.9495) [0.561, 0.1839, 0.04675]\n", + " PeriodicSite: S (11.31, 4.386, 11.18) [0.5568, 0.2159, 0.5503]\n", + " PeriodicSite: S (11.28, 13.88, 1.101) [0.5552, 0.6832, 0.05421]\n", + " PeriodicSite: S (11.21, 13.85, 11.41) [0.5517, 0.6816, 0.562]\n", + " PeriodicSite: S (2.645, 2.851, 17.75) [0.1302, 0.1403, 0.8737]\n", + " PeriodicSite: S (2.832, 12.73, 7.654) [0.1394, 0.6268, 0.3768]\n", + " PeriodicSite: S (12.72, 2.652, 7.494) [0.6263, 0.1306, 0.369]\n", + " PeriodicSite: S (8.955, 9.08, 4.061) [0.4409, 0.447, 0.1999]\n", + " PeriodicSite: S (8.778, 8.737, 14.18) [0.4322, 0.4301, 0.6983]\n", + " PeriodicSite: S (8.774, 19.04, 4.292) [0.4319, 0.9372, 0.2113]\n", + " PeriodicSite: S (8.828, 19.68, 13.83) [0.4346, 0.9689, 0.6811]\n", + " PeriodicSite: S (19.11, 9.165, 3.723) [0.9409, 0.4512, 0.1833]\n", + " PeriodicSite: S (19.26, 8.863, 14.23) [0.9481, 0.4363, 0.7004]\n", + " PeriodicSite: S (18.81, 18.93, 4.206) [0.926, 0.9318, 0.2071]\n", + " PeriodicSite: S (18.78, 19.57, 14.04) [0.9245, 0.9636, 0.6914]\n", + " PeriodicSite: S (3.41, 5.884, 6.074) [0.1679, 0.2897, 0.299]\n", + " PeriodicSite: S (3.713, 6.721, 16.05) [0.1828, 0.3309, 0.7901]\n", + " PeriodicSite: S (3.978, 16.38, 6.103) [0.1958, 0.8062, 0.3005]\n", + " PeriodicSite: S (4.071, 16.67, 16.38) [0.2004, 0.8207, 0.8062]\n", + " PeriodicSite: S (14.14, 6.444, 5.998) [0.6962, 0.3173, 0.2953]\n", + " PeriodicSite: S (14.23, 6.4, 16.47) [0.7006, 0.3151, 0.8109]\n", + " PeriodicSite: S (13.83, 16.38, 6.058) [0.6807, 0.8064, 0.2983]\n", + " PeriodicSite: S (14.11, 16.16, 16.69) [0.6948, 0.7954, 0.8217]\n", + " PeriodicSite: S (6.415, 6.254, 4.16) [0.3158, 0.3079, 0.2048]\n", + " PeriodicSite: S (6.415, 6.404, 13.93) [0.3158, 0.3153, 0.6859]\n", + " PeriodicSite: S (6.595, 16.49, 4.004) [0.3247, 0.8121, 0.1971]\n", + " PeriodicSite: S (6.82, 16.26, 14.38) [0.3358, 0.8006, 0.7081]\n", + " PeriodicSite: S (16.64, 6.42, 3.689) [0.8194, 0.3161, 0.1816]\n", + " PeriodicSite: S (16.41, 5.918, 13.97) [0.808, 0.2914, 0.6875]\n", + " PeriodicSite: S (16.22, 16.19, 3.555) [0.7986, 0.7971, 0.175]\n", + " PeriodicSite: S (16.19, 16.47, 14.21) [0.797, 0.8108, 0.6994]\n", + " PeriodicSite: S (1.339, 8.819, 6.07) [0.06591, 0.4342, 0.2988]\n", + " PeriodicSite: S (1.327, 9.236, 16.4) [0.06531, 0.4547, 0.8072]\n", + " PeriodicSite: S (0.8633, 19.44, 6.504) [0.0425, 0.9571, 0.3202]\n", + " PeriodicSite: S (0.8655, 19.42, 16.77) [0.0426, 0.9562, 0.8254]\n", + " PeriodicSite: S (11.55, 8.701, 6.14) [0.5684, 0.4284, 0.3023]\n", + " PeriodicSite: S (11.25, 8.791, 16.72) [0.5538, 0.4328, 0.8232]\n", + " PeriodicSite: S (11.24, 19.47, 6.519) [0.5534, 0.9587, 0.3209]\n", + " PeriodicSite: S (11.21, 19.09, 15.72) [0.552, 0.94, 0.7738]\n", + " PeriodicSite: S (2.441, 17.72, 2.615) [0.1202, 0.8725, 0.1288]\n", + " PeriodicSite: S (2.615, 17.67, 12.63) [0.1288, 0.8701, 0.6216]\n", + " PeriodicSite: S (12.63, 7.581, 12.65) [0.622, 0.3732, 0.6229]\n", + " PeriodicSite: S (12.71, 17.77, 2.545) [0.6255, 0.8749, 0.1253]\n", + " PeriodicSite: S (4.348, 3.681, 3.726) [0.2141, 0.1812, 0.1834]\n", + " PeriodicSite: S (3.652, 4.251, 13.95) [0.1798, 0.2093, 0.6867]\n", + " PeriodicSite: S (4.106, 14.17, 3.708) [0.2021, 0.6977, 0.1825]\n", + " PeriodicSite: S (4.186, 14.34, 13.87) [0.2061, 0.7062, 0.6827]\n", + " PeriodicSite: S (13.99, 4.214, 3.846) [0.6889, 0.2074, 0.1893]\n", + " PeriodicSite: S (13.97, 3.977, 14.3) [0.688, 0.1958, 0.7038]\n", + " PeriodicSite: S (14.08, 13.88, 4.148) [0.6929, 0.6832, 0.2042]\n", + " PeriodicSite: S (13.63, 13.95, 14.18) [0.6708, 0.6867, 0.6983]\n", + " PeriodicSite: S (8.661, 1.323, 6.247) [0.4264, 0.06511, 0.3076]\n", + " PeriodicSite: S (8.658, 1.268, 16.47) [0.4263, 0.06243, 0.8108]\n", + " PeriodicSite: S (9.299, 11.13, 6.57) [0.4578, 0.5481, 0.3235]\n", + " PeriodicSite: S (9.199, 11.41, 16.43) [0.4529, 0.5615, 0.8088]\n", + " PeriodicSite: S (18.68, 1.367, 6.143) [0.9194, 0.06731, 0.3024]\n", + " PeriodicSite: S (19.24, 1.856, 16.04) [0.9471, 0.09139, 0.7896]\n", + " PeriodicSite: S (19.17, 11.04, 6.465) [0.9438, 0.5437, 0.3183]\n", + " PeriodicSite: S (19.14, 11.61, 16.07) [0.9424, 0.5714, 0.7913]\n", + " PeriodicSite: S (0.523, 1.213, 3.755) [0.02575, 0.05974, 0.1849]\n", + " PeriodicSite: S (1.42, 0.9046, 13.83) [0.0699, 0.04453, 0.6808]\n", + " PeriodicSite: S (1.233, 11.52, 4.135) [0.06069, 0.567, 0.2036]\n", + " PeriodicSite: S (1.235, 11.38, 13.85) [0.06078, 0.5602, 0.6818]\n", + " PeriodicSite: S (10.97, 1.185, 3.831) [0.5401, 0.05832, 0.1886]\n", + " PeriodicSite: S (11.13, 1.65, 14.24) [0.5478, 0.08124, 0.7011]\n", + " PeriodicSite: S (11.62, 11.45, 4.112) [0.572, 0.5637, 0.2025]\n", + " PeriodicSite: S (11.36, 10.76, 13.91) [0.5591, 0.5299, 0.6846]\n", + " PeriodicSite: S (6.148, 4.137, 6.651) [0.3027, 0.2037, 0.3274]\n", + " PeriodicSite: S (5.868, 4.164, 16.42) [0.2889, 0.205, 0.8083]\n", + " PeriodicSite: S (6.345, 14.06, 6.157) [0.3123, 0.6922, 0.3031]\n", + " PeriodicSite: S (5.98, 14.07, 16.81) [0.2944, 0.6925, 0.8275]\n", + " PeriodicSite: S (16.53, 4.066, 6.028) [0.814, 0.2002, 0.2968]\n", + " PeriodicSite: S (16.41, 3.706, 16.61) [0.8081, 0.1825, 0.8179]\n", + " PeriodicSite: S (16.56, 14.25, 6.392) [0.8152, 0.7016, 0.3147]\n", + " PeriodicSite: S (16.29, 13.55, 16.23) [0.8022, 0.667, 0.7992]\n", + " PeriodicSite: S (7.433, 2.593, 12.41) [0.3659, 0.1277, 0.6108]\n", + " PeriodicSite: S (7.656, 12.82, 2.542) [0.3769, 0.6312, 0.1252]\n", + " PeriodicSite: S (17.75, 2.713, 2.644) [0.874, 0.1336, 0.1302]\n", + " PeriodicSite: S (17.91, 12.76, 2.341) [0.8816, 0.6281, 0.1153]\n", + " PeriodicSite: S (17.52, 12.75, 12.61) [0.8626, 0.6279, 0.6208]\n", + " PeriodicSite: S (3.534, 9.455, 9.165) [0.174, 0.4655, 0.4512]\n", + " PeriodicSite: S (3.61, 9.074, 19.34) [0.1777, 0.4467, 0.952]\n", + " PeriodicSite: S (3.913, 18.92, 9.042) [0.1926, 0.9315, 0.4451]\n", + " PeriodicSite: S (3.953, 18.96, 19.45) [0.1946, 0.9334, 0.9574]\n", + " PeriodicSite: S (13.92, 8.975, 9.001) [0.6854, 0.4418, 0.4432]\n", + " PeriodicSite: S (14.08, 9.15, 18.99) [0.693, 0.4504, 0.9349]\n", + " PeriodicSite: S (13.55, 19.33, 9.17) [0.6669, 0.9516, 0.4515]\n", + " PeriodicSite: S (14.35, 18.77, 19.02) [0.7065, 0.924, 0.9365]\n", + " PeriodicSite: S (8.746, 6.073, 0.867) [0.4306, 0.299, 0.04268]\n", + " PeriodicSite: S (8.812, 6.672, 10.73) [0.4338, 0.3285, 0.5284]\n", + " PeriodicSite: S (9.056, 16.31, 1.204) [0.4458, 0.8029, 0.05928]\n", + " PeriodicSite: S (8.927, 16.31, 11.8) [0.4395, 0.8031, 0.5808]\n", + " PeriodicSite: S (19.5, 5.873, 1.573) [0.96, 0.2891, 0.07745]\n", + " PeriodicSite: S (19.05, 6.196, 11.74) [0.9379, 0.305, 0.5781]\n", + " PeriodicSite: S (19.18, 16.18, 1.113) [0.9444, 0.7966, 0.05478]\n", + " PeriodicSite: S (18.47, 16.3, 10.88) [0.9092, 0.8023, 0.5357]\n", + " PeriodicSite: S (1.094, 6.383, 9.447) [0.05387, 0.3143, 0.4651]\n", + " PeriodicSite: S (0.7878, 6.316, 19.02) [0.03879, 0.3109, 0.9362]\n", + " PeriodicSite: S (0.7351, 16.35, 8.934) [0.03618, 0.805, 0.4398]\n", + " PeriodicSite: S (1.033, 15.89, 18.75) [0.05083, 0.7825, 0.9232]\n", + " PeriodicSite: S (11.35, 6.339, 8.559) [0.5587, 0.3121, 0.4214]\n", + " PeriodicSite: S (11.34, 6.312, 19.07) [0.5582, 0.3107, 0.9389]\n", + " PeriodicSite: S (11.15, 16.58, 9.262) [0.5488, 0.8164, 0.456]\n", + " PeriodicSite: S (11.27, 16.19, 18.91) [0.5547, 0.7972, 0.9308]\n", + " PeriodicSite: S (6.069, 8.918, 1.339) [0.2988, 0.4391, 0.0659]\n", + " PeriodicSite: S (5.753, 9.328, 11.65) [0.2832, 0.4592, 0.5737]\n", + " PeriodicSite: S (6.207, 19.3, 1.308) [0.3056, 0.9499, 0.0644]\n", + " PeriodicSite: S (6.26, 18.75, 11.5) [0.3082, 0.9229, 0.5659]\n", + " PeriodicSite: S (16.72, 9.078, 0.7807) [0.8229, 0.4469, 0.03844]\n", + " PeriodicSite: S (16.37, 8.614, 11.39) [0.8058, 0.4241, 0.5607]\n", + " PeriodicSite: S (16.16, 19.04, 1.234) [0.7958, 0.9372, 0.06078]\n", + " PeriodicSite: S (16.4, 19.45, 11.23) [0.8074, 0.9575, 0.553]\n", + " PeriodicSite: S (7.439, 7.486, 17.64) [0.3662, 0.3685, 0.8686]\n", + " PeriodicSite: S (7.48, 17.68, 7.618) [0.3682, 0.8702, 0.3751]\n", + " PeriodicSite: S (17.93, 7.622, 7.719) [0.8828, 0.3752, 0.38]\n", + " PeriodicSite: S (17.33, 17.88, 7.533) [0.8533, 0.8803, 0.3708]\n", + " PeriodicSite: P (4.983, 0.0946, 0.1322) [0.2453, 0.004655, 0.006511]\n", + " PeriodicSite: P (5.067, 19.98, 10.38) [0.2494, 0.9836, 0.5112]\n", + " PeriodicSite: P (5.018, 10.21, 0.1598) [0.247, 0.5028, 0.00787]\n", + " PeriodicSite: P (4.826, 10.62, 10.17) [0.2376, 0.5227, 0.5009]\n", + " PeriodicSite: P (15.1, 20.25, 20.18) [0.7436, 0.9969, 0.9933]\n", + " PeriodicSite: P (15.08, 0.3702, 10.2) [0.7424, 0.01822, 0.502]\n", + " PeriodicSite: P (15.37, 10.24, 20.11) [0.7565, 0.504, 0.99]\n", + " PeriodicSite: P (15.2, 9.988, 10.2) [0.7482, 0.4917, 0.5023]\n", + " PeriodicSite: P (5.136, 4.985, 5.097) [0.2529, 0.2454, 0.2509]\n", + " PeriodicSite: P (4.973, 5.369, 15.11) [0.2448, 0.2643, 0.744]\n", + " PeriodicSite: P (5.267, 15.38, 4.975) [0.2593, 0.7573, 0.2449]\n", + " PeriodicSite: P (5.247, 15.37, 15.35) [0.2583, 0.7566, 0.7558]\n", + " PeriodicSite: P (15.35, 5.331, 4.805) [0.7556, 0.2624, 0.2365]\n", + " PeriodicSite: P (15.29, 4.963, 15.4) [0.7526, 0.2443, 0.758]\n", + " PeriodicSite: P (15.17, 15.34, 5.079) [0.7468, 0.7551, 0.25]\n", + " PeriodicSite: P (15.11, 15.02, 15.31) [0.7439, 0.7393, 0.7536]\n", + " PeriodicSite: P (19.89, 0.06648, 5.184) [0.9792, 0.003264, 0.2552]\n", + " PeriodicSite: P (20.25, 0.2996, 15.29) [0.9971, 0.01474, 0.7525]\n", + " PeriodicSite: P (0.1224, 9.992, 5.048) [0.006021, 0.4919, 0.2485]\n", + " PeriodicSite: P (0.2084, 10.36, 15.26) [0.01026, 0.5103, 0.7512]\n", + " PeriodicSite: P (9.981, 0.0693, 5.119) [0.4914, 0.003408, 0.252]\n", + " PeriodicSite: P (10.03, 0.3353, 15.16) [0.4935, 0.0165, 0.7465]\n", + " PeriodicSite: P (10.39, 10.1, 5.243) [0.5117, 0.4974, 0.2581]\n", + " PeriodicSite: P (10.12, 9.911, 15.31) [0.4983, 0.4879, 0.754]\n", + " PeriodicSite: P (0.289, 4.918, 0.2363) [0.01423, 0.2421, 0.01163]\n", + " PeriodicSite: P (20.19, 5.101, 10.54) [0.9941, 0.2511, 0.5191]\n", + " PeriodicSite: P (0.1033, 14.94, 20.25) [0.005085, 0.7353, 0.9968]\n", + " PeriodicSite: P (19.91, 15.0, 9.914) [0.98, 0.7385, 0.4881]\n", + " PeriodicSite: P (10.17, 4.83, 20.07) [0.5006, 0.2378, 0.988]\n", + " PeriodicSite: P (10.12, 5.361, 9.874) [0.4983, 0.2639, 0.4861]\n", + " PeriodicSite: P (10.01, 15.05, 20.11) [0.493, 0.7408, 0.99]\n", + " PeriodicSite: P (10.05, 15.22, 10.49) [0.4949, 0.7494, 0.5164],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.8604, 7.332, 4.326) [0.04236, 0.3609, 0.213]\n", + " PeriodicSite: Li (1.26, 3.401, 13.98) [0.06203, 0.1674, 0.6885]\n", + " PeriodicSite: Li (0.5719, 12.93, 6.626) [0.02815, 0.6365, 0.3262]\n", + " PeriodicSite: Li (20.04, 13.67, 17.4) [0.9864, 0.6729, 0.8564]\n", + " PeriodicSite: Li (14.63, 0.8079, 7.061) [0.7201, 0.03977, 0.3476]\n", + " PeriodicSite: Li (10.82, 3.23, 16.37) [0.5327, 0.159, 0.8059]\n", + " PeriodicSite: Li (14.27, 11.39, 3.904) [0.7025, 0.5607, 0.1922]\n", + " PeriodicSite: Li (16.32, 7.889, 15.41) [0.8035, 0.3884, 0.7585]\n", + " PeriodicSite: Li (3.847, 4.68, 8.347) [0.1894, 0.2304, 0.4109]\n", + " PeriodicSite: Li (1.91, 2.213, 20.05) [0.09406, 0.109, 0.9869]\n", + " PeriodicSite: Li (3.857, 7.858, 5.146) [0.1899, 0.3868, 0.2534]\n", + " PeriodicSite: Li (7.05, 9.94, 17.41) [0.3471, 0.4894, 0.857]\n", + " PeriodicSite: Li (12.63, 4.897, 5.923) [0.6219, 0.2411, 0.2916]\n", + " PeriodicSite: Li (13.12, 20.01, 16.72) [0.646, 0.9852, 0.8229]\n", + " PeriodicSite: Li (10.72, 8.582, 12.8) [0.528, 0.4225, 0.6304]\n", + " PeriodicSite: Li (8.34, 18.52, 20.08) [0.4106, 0.9117, 0.9885]\n", + " PeriodicSite: Li (5.832, 1.514, 6.706) [0.2871, 0.07454, 0.3301]\n", + " PeriodicSite: Li (4.254, 19.64, 13.03) [0.2094, 0.967, 0.6416]\n", + " PeriodicSite: Li (2.953, 10.68, 6.924) [0.1454, 0.5257, 0.3409]\n", + " PeriodicSite: Li (6.955, 10.33, 13.39) [0.3424, 0.5085, 0.6592]\n", + " PeriodicSite: Li (12.07, 1.447, 9.28) [0.5944, 0.07124, 0.4569]\n", + " PeriodicSite: Li (11.36, 1.611, 19.91) [0.5591, 0.07929, 0.9803]\n", + " PeriodicSite: Li (13.55, 14.86, 8.525) [0.6671, 0.7316, 0.4197]\n", + " PeriodicSite: Li (12.35, 9.751, 0.8884) [0.6081, 0.48, 0.04374]\n", + " PeriodicSite: Li (0.4209, 2.84, 6.07) [0.02072, 0.1398, 0.2989]\n", + " PeriodicSite: Li (0.5758, 3.6, 17.23) [0.02835, 0.1772, 0.8484]\n", + " PeriodicSite: Li (2.056, 15.26, 7.168) [0.1012, 0.7515, 0.3529]\n", + " PeriodicSite: Li (3.459, 15.74, 18.56) [0.1703, 0.775, 0.9135]\n", + " PeriodicSite: Li (13.25, 1.744, 5.058) [0.6522, 0.08586, 0.249]\n", + " PeriodicSite: Li (14.09, 2.156, 15.96) [0.6938, 0.1061, 0.7855]\n", + " PeriodicSite: Li (12.6, 11.25, 9.691) [0.6204, 0.554, 0.4771]\n", + " PeriodicSite: Li (15.83, 17.3, 19.47) [0.7794, 0.8515, 0.9587]\n", + " PeriodicSite: Li (5.265, 1.583, 3.441) [0.2592, 0.07792, 0.1694]\n", + " PeriodicSite: Li (0.03551, 17.67, 2.247) [0.001741, 0.87, 0.1106]\n", + " PeriodicSite: Li (3.008, 14.31, 9.901) [0.1481, 0.7043, 0.4874]\n", + " PeriodicSite: Li (2.335, 16.06, 14.55) [0.1149, 0.7906, 0.7162]\n", + " PeriodicSite: Li (15.15, 3.385, 8.125) [0.7457, 0.1666, 0.4]\n", + " PeriodicSite: Li (13.3, 5.953, 18.76) [0.6545, 0.293, 0.9236]\n", + " PeriodicSite: Li (17.49, 15.1, 7.775) [0.8612, 0.7432, 0.3828]\n", + " PeriodicSite: Li (10.5, 11.26, 18.26) [0.5168, 0.5545, 0.8992]\n", + " PeriodicSite: Li (3.145, 2.199, 5.028) [0.1548, 0.1083, 0.2475]\n", + " PeriodicSite: Li (2.616, 0.3522, 17.47) [0.1288, 0.01734, 0.8599]\n", + " PeriodicSite: Li (3.939, 12.54, 5.341) [0.1939, 0.6171, 0.2629]\n", + " PeriodicSite: Li (18.38, 14.64, 3.132) [0.9049, 0.7209, 0.1542]\n", + " PeriodicSite: Li (10.49, 3.074, 6.969) [0.5165, 0.1513, 0.3431]\n", + " PeriodicSite: Li (17.04, 0.7588, 15.5) [0.8391, 0.03735, 0.7629]\n", + " PeriodicSite: Li (15.19, 11.85, 6.786) [0.7477, 0.5832, 0.3341]\n", + " PeriodicSite: Li (14.15, 9.506, 16.91) [0.6968, 0.468, 0.8324]\n", + " PeriodicSite: Li (4.266, 12.59, 16.12) [0.21, 0.62, 0.7936]\n", + " PeriodicSite: Li (1.9, 11.6, 9.89) [0.09354, 0.5712, 0.4869]\n", + " PeriodicSite: Li (2.227, 16.17, 4.364) [0.1096, 0.7962, 0.2148]\n", + " PeriodicSite: Li (0.5398, 1.956, 9.113) [0.02658, 0.09632, 0.4487]\n", + " PeriodicSite: Li (13.37, 5.216, 1.651) [0.6581, 0.2568, 0.08128]\n", + " PeriodicSite: Li (12.64, 7.389, 15.23) [0.6222, 0.3637, 0.7496]\n", + " PeriodicSite: Li (11.36, 12.67, 5.179) [0.5591, 0.624, 0.255]\n", + " PeriodicSite: Li (12.79, 19.84, 14.01) [0.6295, 0.9769, 0.6897]\n", + " PeriodicSite: Li (3.381, 5.409, 1.533) [0.1665, 0.2663, 0.07547]\n", + " PeriodicSite: Li (3.049, 5.123, 11.29) [0.1501, 0.2522, 0.5556]\n", + " PeriodicSite: Li (5.651, 17.18, 19.27) [0.2782, 0.8459, 0.9486]\n", + " PeriodicSite: Li (2.87, 19.02, 14.88) [0.1413, 0.9365, 0.7323]\n", + " PeriodicSite: Li (14.53, 2.627, 19.41) [0.7155, 0.1293, 0.9554]\n", + " PeriodicSite: Li (11.98, 5.188, 13.18) [0.5899, 0.2554, 0.6487]\n", + " PeriodicSite: Li (11.79, 15.72, 3.44) [0.5804, 0.7738, 0.1693]\n", + " PeriodicSite: Li (10.39, 17.89, 13.57) [0.5114, 0.8807, 0.6679]\n", + " PeriodicSite: Li (3.199, 10.19, 16.32) [0.1575, 0.5017, 0.8035]\n", + " PeriodicSite: Li (4.904, 7.324, 11.64) [0.2414, 0.3606, 0.5729]\n", + " PeriodicSite: Li (4.867, 16.23, 2.135) [0.2396, 0.799, 0.1051]\n", + " PeriodicSite: Li (3.066, 17.09, 10.64) [0.151, 0.8416, 0.5239]\n", + " PeriodicSite: Li (10.89, 6.854, 2.872) [0.5361, 0.3374, 0.1414]\n", + " PeriodicSite: Li (15.01, 6.202, 11.83) [0.7389, 0.3053, 0.5822]\n", + " PeriodicSite: Li (10.98, 19.21, 2.696) [0.5404, 0.9456, 0.1327]\n", + " PeriodicSite: Li (13.74, 15.66, 12.16) [0.6765, 0.7711, 0.5986]\n", + " PeriodicSite: Li (1.821, 8.226, 0.6523) [0.08967, 0.405, 0.03211]\n", + " PeriodicSite: Li (17.2, 4.99, 8.147) [0.8469, 0.2457, 0.4011]\n", + " PeriodicSite: Li (2.414, 19.47, 4.37) [0.1188, 0.9584, 0.2151]\n", + " PeriodicSite: Li (1.911, 19.74, 11.57) [0.09407, 0.9717, 0.5697]\n", + " PeriodicSite: Li (10.23, 6.801, 6.304) [0.5035, 0.3348, 0.3104]\n", + " PeriodicSite: Li (13.36, 11.56, 15.37) [0.6578, 0.5693, 0.7569]\n", + " PeriodicSite: Li (15.25, 17.17, 2.039) [0.7509, 0.8454, 0.1004]\n", + " PeriodicSite: Li (11.8, 14.39, 17.12) [0.5811, 0.7083, 0.8428]\n", + " PeriodicSite: Li (7.217, 8.587, 5.318) [0.3553, 0.4227, 0.2618]\n", + " PeriodicSite: Li (20.14, 12.17, 12.49) [0.9916, 0.5992, 0.6151]\n", + " PeriodicSite: Li (19.11, 16.88, 6.713) [0.9409, 0.8309, 0.3305]\n", + " PeriodicSite: Li (6.367, 18.53, 15.4) [0.3135, 0.9121, 0.7583]\n", + " PeriodicSite: Li (17.31, 10.08, 2.997) [0.8521, 0.496, 0.1475]\n", + " PeriodicSite: Li (12.53, 7.72, 10.4) [0.6168, 0.3801, 0.5121]\n", + " PeriodicSite: Li (12.95, 16.09, 0.9006) [0.6375, 0.7921, 0.04434]\n", + " PeriodicSite: Li (12.02, 18.43, 10.05) [0.5917, 0.9073, 0.4949]\n", + " PeriodicSite: Li (4.813, 2.989, 19.09) [0.237, 0.1471, 0.94]\n", + " PeriodicSite: Li (3.563, 10.07, 13.37) [0.1754, 0.4957, 0.6584]\n", + " PeriodicSite: Li (4.766, 18.73, 3.502) [0.2346, 0.922, 0.1724]\n", + " PeriodicSite: Li (0.6594, 16.16, 12.65) [0.03246, 0.7957, 0.6229]\n", + " PeriodicSite: Li (13.93, 8.719, 5.817) [0.686, 0.4292, 0.2864]\n", + " PeriodicSite: Li (14.35, 9.033, 13.17) [0.7063, 0.4447, 0.6481]\n", + " PeriodicSite: Li (13.34, 18.48, 4.752) [0.6569, 0.9098, 0.2339]\n", + " PeriodicSite: Li (18.22, 4.001, 14.35) [0.8972, 0.1969, 0.7066]\n", + " PeriodicSite: Li (9.744, 3.052, 3.439) [0.4797, 0.1502, 0.1693]\n", + " PeriodicSite: Li (9.876, 2.788, 12.21) [0.4862, 0.1372, 0.6012]\n", + " PeriodicSite: Li (6.932, 11.91, 4.464) [0.3413, 0.5864, 0.2198]\n", + " PeriodicSite: Li (6.921, 12.28, 15.03) [0.3407, 0.6044, 0.74]\n", + " PeriodicSite: Li (18.2, 4.827, 3.882) [0.8961, 0.2376, 0.1911]\n", + " PeriodicSite: Li (13.12, 4.554, 9.011) [0.6459, 0.2242, 0.4436]\n", + " PeriodicSite: Li (0.1713, 11.57, 2.468) [0.008427, 0.5697, 0.1215]\n", + " PeriodicSite: Li (17.11, 10.17, 13.46) [0.8424, 0.5004, 0.6626]\n", + " PeriodicSite: Li (6.657, 18.57, 6.058) [0.3277, 0.9143, 0.2982]\n", + " PeriodicSite: Li (8.305, 3.819, 14.73) [0.4089, 0.188, 0.7252]\n", + " PeriodicSite: Li (3.971, 12.99, 19.64) [0.1955, 0.6396, 0.9668]\n", + " PeriodicSite: Li (10.39, 13.64, 13.61) [0.5115, 0.6714, 0.6698]\n", + " PeriodicSite: Li (14.15, 19.62, 2.546) [0.6968, 0.9658, 0.1253]\n", + " PeriodicSite: Li (18.34, 0.2333, 11.95) [0.9031, 0.01148, 0.5881]\n", + " PeriodicSite: Li (17.43, 14.94, 20.3) [0.8582, 0.7355, 0.9995]\n", + " PeriodicSite: Li (17.0, 14.93, 11.67) [0.8369, 0.735, 0.5744]\n", + " PeriodicSite: Li (7.532, 3.438, 4.902) [0.3708, 0.1692, 0.2413]\n", + " PeriodicSite: Li (7.62, 0.4598, 12.01) [0.3751, 0.02263, 0.5914]\n", + " PeriodicSite: Li (9.748, 12.35, 2.453) [0.4799, 0.6082, 0.1207]\n", + " PeriodicSite: Li (5.49, 13.45, 12.06) [0.2703, 0.6623, 0.5938]\n", + " PeriodicSite: Li (19.98, 3.123, 2.449) [0.9835, 0.1538, 0.1206]\n", + " PeriodicSite: Li (0.4917, 8.058, 11.52) [0.02421, 0.3967, 0.5671]\n", + " PeriodicSite: Li (15.63, 13.24, 1.527) [0.7693, 0.6518, 0.07516]\n", + " PeriodicSite: Li (15.55, 12.41, 13.65) [0.7655, 0.6109, 0.6719]\n", + " PeriodicSite: Li (3.061, 20.25, 7.195) [0.1507, 0.9971, 0.3542]\n", + " PeriodicSite: Li (6.677, 1.473, 14.33) [0.3287, 0.07252, 0.7055]\n", + " PeriodicSite: Li (5.16, 13.22, 1.997) [0.254, 0.6509, 0.09832]\n", + " PeriodicSite: Li (8.621, 7.059, 15.84) [0.4244, 0.3475, 0.7799]\n", + " PeriodicSite: Li (16.77, 4.693, 1.629) [0.8254, 0.231, 0.08022]\n", + " PeriodicSite: Li (15.05, 18.53, 13.26) [0.7411, 0.9122, 0.6529]\n", + " PeriodicSite: Li (13.37, 13.01, 19.99) [0.6581, 0.6407, 0.9839]\n", + " PeriodicSite: Li (18.49, 11.9, 10.18) [0.9105, 0.586, 0.5013]\n", + " PeriodicSite: Li (6.922, 6.911, 0.221) [0.3408, 0.3402, 0.01088]\n", + " PeriodicSite: Li (5.259, 3.153, 11.91) [0.2589, 0.1552, 0.5864]\n", + " PeriodicSite: Li (7.702, 11.34, 0.6577) [0.3792, 0.5582, 0.03238]\n", + " PeriodicSite: Li (8.596, 12.3, 10.75) [0.4232, 0.6053, 0.5294]\n", + " PeriodicSite: Li (15.02, 1.889, 2.715) [0.7397, 0.093, 0.1337]\n", + " PeriodicSite: Li (17.2, 3.255, 10.51) [0.8467, 0.1602, 0.5174]\n", + " PeriodicSite: Li (1.524, 10.45, 18.45) [0.07502, 0.5143, 0.9084]\n", + " PeriodicSite: Li (18.26, 13.7, 14.6) [0.8991, 0.6744, 0.7187]\n", + " PeriodicSite: Li (8.211, 1.355, 0.45) [0.4042, 0.0667, 0.02216]\n", + " PeriodicSite: Li (6.974, 3.044, 10.2) [0.3433, 0.1499, 0.5023]\n", + " PeriodicSite: Li (8.332, 15.01, 3.522) [0.4102, 0.7388, 0.1734]\n", + " PeriodicSite: Li (5.258, 16.26, 12.75) [0.2589, 0.8004, 0.6279]\n", + " PeriodicSite: Li (17.73, 2.646, 0.2706) [0.8731, 0.1303, 0.01333]\n", + " PeriodicSite: Li (1.987, 6.792, 14.8) [0.0978, 0.3344, 0.7287]\n", + " PeriodicSite: Li (4.964, 13.56, 8.203) [0.2444, 0.6675, 0.4039]\n", + " PeriodicSite: Li (15.39, 13.08, 10.4) [0.7578, 0.6441, 0.512]\n", + " PeriodicSite: Li (17.53, 11.82, 4.994) [0.8628, 0.5819, 0.2459]\n", + " PeriodicSite: Li (6.044, 7.994, 15.87) [0.2976, 0.3936, 0.7811]\n", + " PeriodicSite: Li (7.186, 16.12, 10.51) [0.3538, 0.7936, 0.5176]\n", + " PeriodicSite: Li (1.98, 19.46, 1.025) [0.09748, 0.958, 0.05048]\n", + " PeriodicSite: Li (17.0, 9.767, 7.254) [0.8371, 0.4808, 0.3571]\n", + " PeriodicSite: Li (3.185, 4.807, 18.45) [0.1568, 0.2367, 0.9084]\n", + " PeriodicSite: Li (17.01, 1.683, 4.791) [0.8372, 0.08285, 0.2359]\n", + " PeriodicSite: Li (19.77, 18.43, 18.71) [0.9732, 0.9073, 0.9211]\n", + " PeriodicSite: Li (5.772, 9.827, 7.453) [0.2842, 0.4838, 0.3669]\n", + " PeriodicSite: Li (7.802, 5.116, 18.09) [0.3841, 0.2519, 0.8907]\n", + " PeriodicSite: Li (8.702, 20.17, 8.099) [0.4284, 0.9932, 0.3987]\n", + " PeriodicSite: Li (8.239, 15.55, 16.64) [0.4056, 0.7658, 0.819]\n", + " PeriodicSite: Li (17.55, 7.363, 10.44) [0.864, 0.3625, 0.5139]\n", + " PeriodicSite: Li (18.82, 8.388, 20.14) [0.9266, 0.4129, 0.9915]\n", + " PeriodicSite: Li (18.06, 19.79, 8.37) [0.8893, 0.9742, 0.4121]\n", + " PeriodicSite: Li (19.7, 17.48, 15.83) [0.97, 0.8608, 0.7795]\n", + " PeriodicSite: Li (6.911, 5.977, 9.055) [0.3403, 0.2943, 0.4458]\n", + " PeriodicSite: Li (4.229, 2.122, 15.95) [0.2082, 0.1045, 0.7853]\n", + " PeriodicSite: Li (9.242, 18.1, 9.702) [0.455, 0.891, 0.4776]\n", + " PeriodicSite: Li (17.3, 10.49, 17.12) [0.8516, 0.5162, 0.843]\n", + " PeriodicSite: Li (19.56, 9.279, 8.436) [0.9628, 0.4568, 0.4153]\n", + " PeriodicSite: Li (16.75, 5.287, 18.33) [0.8244, 0.2603, 0.9023]\n", + " PeriodicSite: Li (15.75, 17.53, 9.521) [0.7756, 0.863, 0.4687]\n", + " PeriodicSite: Li (15.5, 14.65, 18.18) [0.7632, 0.721, 0.8952]\n", + " PeriodicSite: Li (9.464, 9.229, 8.371) [0.4659, 0.4543, 0.4121]\n", + " PeriodicSite: Li (6.687, 4.395, 1.928) [0.3292, 0.2164, 0.0949]\n", + " PeriodicSite: Li (5.429, 17.08, 8.498) [0.2673, 0.841, 0.4184]\n", + " PeriodicSite: Li (7.382, 14.49, 0.383) [0.3634, 0.7135, 0.01886]\n", + " PeriodicSite: Li (15.46, 7.08, 8.438) [0.7612, 0.3486, 0.4154]\n", + " PeriodicSite: Li (19.77, 7.151, 16.61) [0.9732, 0.3521, 0.8177]\n", + " PeriodicSite: Li (15.89, 18.11, 6.19) [0.7825, 0.8914, 0.3047]\n", + " PeriodicSite: Li (16.0, 17.59, 16.21) [0.7876, 0.8658, 0.7978]\n", + " PeriodicSite: Li (7.13, 5.339, 12.08) [0.351, 0.2628, 0.5945]\n", + " PeriodicSite: Li (5.217, 7.138, 18.62) [0.2568, 0.3514, 0.9167]\n", + " PeriodicSite: Li (9.777, 17.76, 7.058) [0.4813, 0.8745, 0.3475]\n", + " PeriodicSite: Li (11.96, 18.74, 20.3) [0.5888, 0.9226, 0.9996]\n", + " PeriodicSite: Li (16.97, 8.01, 5.491) [0.8355, 0.3943, 0.2703]\n", + " PeriodicSite: Li (15.18, 7.22, 0.7185) [0.7472, 0.3554, 0.03538]\n", + " PeriodicSite: Li (19.58, 17.84, 9.603) [0.9638, 0.8783, 0.4728]\n", + " PeriodicSite: Li (18.38, 0.2441, 2.012) [0.9047, 0.01201, 0.09905]\n", + " PeriodicSite: Li (4.105, 9.731, 2.994) [0.2021, 0.4791, 0.1474]\n", + " PeriodicSite: Li (9.649, 8.308, 18.56) [0.4751, 0.409, 0.9139]\n", + " PeriodicSite: Li (8.336, 15.15, 6.871) [0.4104, 0.7456, 0.3383]\n", + " PeriodicSite: Li (5.997, 19.96, 17.57) [0.2952, 0.9827, 0.8649]\n", + " PeriodicSite: Li (19.6, 6.699, 6.539) [0.9648, 0.3298, 0.322]\n", + " PeriodicSite: Li (17.95, 11.48, 0.5185) [0.8838, 0.5652, 0.02553]\n", + " PeriodicSite: Li (2.675, 15.64, 1.226) [0.1317, 0.7699, 0.06035]\n", + " PeriodicSite: Li (14.61, 1.69, 13.29) [0.7195, 0.08319, 0.6544]\n", + " PeriodicSite: Cl (7.796, 12.69, 12.9) [0.3838, 0.6245, 0.6349]\n", + " PeriodicSite: Cl (2.367, 12.44, 17.57) [0.1165, 0.6126, 0.8648]\n", + " PeriodicSite: Cl (12.93, 17.84, 12.46) [0.6367, 0.8785, 0.6136]\n", + " PeriodicSite: Cl (17.83, 8.071, 17.8) [0.8777, 0.3973, 0.8765]\n", + " PeriodicSite: Cl (7.57, 2.085, 2.821) [0.3727, 0.1026, 0.1389]\n", + " PeriodicSite: Cl (7.514, 7.856, 7.499) [0.3699, 0.3868, 0.3692]\n", + " PeriodicSite: Cl (12.94, 12.7, 7.882) [0.6372, 0.625, 0.388]\n", + " PeriodicSite: Cl (2.626, 7.764, 2.725) [0.1293, 0.3822, 0.1341]\n", + " PeriodicSite: Cl (2.945, 7.96, 12.73) [0.145, 0.3919, 0.6267]\n", + " PeriodicSite: Cl (12.76, 12.09, 17.7) [0.628, 0.5952, 0.8716]\n", + " PeriodicSite: Cl (17.83, 17.47, 17.35) [0.8778, 0.8602, 0.854]\n", + " PeriodicSite: Cl (2.314, 2.404, 7.196) [0.1139, 0.1184, 0.3543]\n", + " PeriodicSite: Cl (12.67, 1.744, 17.79) [0.6239, 0.08586, 0.8757]\n", + " PeriodicSite: Cl (12.73, 7.287, 1.757) [0.6267, 0.3587, 0.0865]\n", + " PeriodicSite: Cl (17.15, 2.333, 12.79) [0.8445, 0.1148, 0.6299]\n", + " PeriodicSite: Cl (7.09, 17.94, 17.78) [0.3491, 0.8831, 0.8754]\n", + " PeriodicSite: Cl (19.93, 19.71, 0.2432) [0.9814, 0.9702, 0.01198]\n", + " PeriodicSite: Cl (20.19, 20.05, 9.954) [0.994, 0.9871, 0.49]\n", + " PeriodicSite: Cl (20.24, 10.23, 0.4219) [0.9964, 0.5037, 0.02078]\n", + " PeriodicSite: Cl (20.2, 10.32, 10.33) [0.9943, 0.5079, 0.5084]\n", + " PeriodicSite: Cl (9.955, 20.26, 0.4264) [0.4901, 0.9972, 0.021]\n", + " PeriodicSite: Cl (10.24, 20.27, 9.933) [0.5041, 0.9979, 0.489]\n", + " PeriodicSite: Cl (10.13, 10.25, 20.16) [0.4987, 0.5046, 0.9924]\n", + " PeriodicSite: Cl (10.41, 9.915, 10.45) [0.5123, 0.4881, 0.5144]\n", + " PeriodicSite: Cl (0.1271, 4.996, 4.951) [0.006257, 0.2459, 0.2437]\n", + " PeriodicSite: Cl (0.1221, 5.271, 15.11) [0.006013, 0.2595, 0.744]\n", + " PeriodicSite: Cl (0.6098, 14.81, 5.156) [0.03001, 0.7291, 0.2539]\n", + " PeriodicSite: Cl (20.08, 15.53, 14.64) [0.9887, 0.7647, 0.7209]\n", + " PeriodicSite: Cl (10.13, 5.175, 4.878) [0.4985, 0.2548, 0.2402]\n", + " PeriodicSite: Cl (10.01, 5.298, 14.95) [0.4926, 0.2608, 0.7358]\n", + " PeriodicSite: Cl (10.08, 15.52, 5.313) [0.4964, 0.764, 0.2615]\n", + " PeriodicSite: Cl (10.29, 14.98, 15.5) [0.5067, 0.7373, 0.7632]\n", + " PeriodicSite: S (4.615, 0.1437, 5.235) [0.2272, 0.007074, 0.2577]\n", + " PeriodicSite: S (4.86, 20.31, 15.27) [0.2393, 0.9997, 0.7518]\n", + " PeriodicSite: S (4.762, 10.37, 5.359) [0.2345, 0.5106, 0.2638]\n", + " PeriodicSite: S (5.202, 10.5, 15.18) [0.2561, 0.5167, 0.7472]\n", + " PeriodicSite: S (14.95, 0.2169, 4.578) [0.736, 0.01067, 0.2254]\n", + " PeriodicSite: S (14.83, 0.1368, 15.09) [0.7302, 0.006728, 0.7429]\n", + " PeriodicSite: S (15.7, 10.08, 5.155) [0.7731, 0.4964, 0.2538]\n", + " PeriodicSite: S (15.39, 10.4, 15.15) [0.7577, 0.5119, 0.7459]\n", + " PeriodicSite: S (5.131, 5.218, 19.94) [0.2526, 0.2569, 0.9815]\n", + " PeriodicSite: S (5.258, 4.882, 10.33) [0.2589, 0.2404, 0.5086]\n", + " PeriodicSite: S (4.988, 15.23, 0.06452) [0.2455, 0.7497, 0.003179]\n", + " PeriodicSite: S (4.904, 15.59, 10.42) [0.2414, 0.7675, 0.5128]\n", + " PeriodicSite: S (15.2, 5.044, 20.21) [0.7483, 0.2483, 0.995]\n", + " PeriodicSite: S (15.28, 5.158, 9.683) [0.7524, 0.2539, 0.4767]\n", + " PeriodicSite: S (15.23, 15.18, 0.1489) [0.7497, 0.7472, 0.007338]\n", + " PeriodicSite: S (15.14, 15.19, 10.23) [0.7453, 0.7478, 0.5036]\n", + " PeriodicSite: S (9.038, 3.913, 8.61) [0.445, 0.1927, 0.4239]\n", + " PeriodicSite: S (9.263, 3.238, 19.43) [0.456, 0.1594, 0.9567]\n", + " PeriodicSite: S (8.489, 14.5, 9.486) [0.4179, 0.7139, 0.467]\n", + " PeriodicSite: S (9.105, 13.92, 19.13) [0.4483, 0.6853, 0.9418]\n", + " PeriodicSite: S (19.11, 3.854, 9.233) [0.9406, 0.1897, 0.4546]\n", + " PeriodicSite: S (19.51, 3.725, 19.38) [0.9603, 0.1834, 0.9543]\n", + " PeriodicSite: S (19.15, 13.91, 8.674) [0.9426, 0.6849, 0.427]\n", + " PeriodicSite: S (18.94, 13.58, 19.41) [0.9325, 0.6684, 0.9556]\n", + " PeriodicSite: S (3.625, 0.8664, 1.457) [0.1785, 0.04265, 0.07174]\n", + " PeriodicSite: S (3.959, 1.141, 11.67) [0.1949, 0.05616, 0.5747]\n", + " PeriodicSite: S (3.744, 11.43, 1.222) [0.1843, 0.5625, 0.06016]\n", + " PeriodicSite: S (3.789, 11.86, 11.32) [0.1865, 0.5837, 0.5573]\n", + " PeriodicSite: S (13.87, 0.9363, 0.7642) [0.6829, 0.04609, 0.03762]\n", + " PeriodicSite: S (13.54, 1.432, 11.11) [0.6666, 0.07051, 0.5469]\n", + " PeriodicSite: S (14.08, 11.3, 1.418) [0.693, 0.5561, 0.06982]\n", + " PeriodicSite: S (14.15, 11.27, 11.41) [0.6966, 0.5546, 0.5618]\n", + " PeriodicSite: S (6.249, 1.066, 9.108) [0.3076, 0.05247, 0.4484]\n", + " PeriodicSite: S (6.181, 1.203, 19.24) [0.3043, 0.05923, 0.9471]\n", + " PeriodicSite: S (6.566, 11.7, 9.124) [0.3232, 0.5761, 0.4492]\n", + " PeriodicSite: S (5.957, 11.37, 18.94) [0.2933, 0.5597, 0.9326]\n", + " PeriodicSite: S (16.47, 1.432, 8.906) [0.811, 0.07048, 0.4385]\n", + " PeriodicSite: S (16.39, 1.404, 18.84) [0.807, 0.06914, 0.9274]\n", + " PeriodicSite: S (16.39, 11.23, 9.116) [0.8068, 0.5528, 0.4488]\n", + " PeriodicSite: S (16.08, 11.55, 19.17) [0.7916, 0.5686, 0.9436]\n", + " PeriodicSite: S (1.503, 4.048, 1.376) [0.07397, 0.1993, 0.06772]\n", + " PeriodicSite: S (1.161, 3.362, 11.55) [0.05715, 0.1655, 0.5688]\n", + " PeriodicSite: S (1.387, 13.57, 1.073) [0.06827, 0.6682, 0.05283]\n", + " PeriodicSite: S (1.144, 13.94, 11.44) [0.05631, 0.6864, 0.5633]\n", + " PeriodicSite: S (11.62, 3.785, 1.222) [0.5719, 0.1863, 0.06016]\n", + " PeriodicSite: S (11.37, 4.154, 10.82) [0.5596, 0.2045, 0.5328]\n", + " PeriodicSite: S (11.36, 14.16, 1.388) [0.5595, 0.6971, 0.06835]\n", + " PeriodicSite: S (11.5, 14.23, 11.36) [0.5662, 0.7007, 0.5593]\n", + " PeriodicSite: S (2.788, 2.618, 17.73) [0.1373, 0.1289, 0.8731]\n", + " PeriodicSite: S (2.524, 13.19, 7.885) [0.1243, 0.6494, 0.3882]\n", + " PeriodicSite: S (12.92, 2.769, 7.141) [0.6362, 0.1363, 0.3516]\n", + " PeriodicSite: S (9.185, 8.681, 3.887) [0.4522, 0.4274, 0.1914]\n", + " PeriodicSite: S (8.889, 8.808, 14.27) [0.4376, 0.4336, 0.7026]\n", + " PeriodicSite: S (8.861, 19.03, 3.88) [0.4362, 0.9367, 0.191]\n", + " PeriodicSite: S (8.433, 19.67, 13.92) [0.4152, 0.9682, 0.6853]\n", + " PeriodicSite: S (19.18, 8.677, 4.038) [0.9443, 0.4272, 0.1988]\n", + " PeriodicSite: S (19.28, 8.965, 13.89) [0.9492, 0.4414, 0.684]\n", + " PeriodicSite: S (18.75, 19.37, 3.965) [0.9229, 0.9537, 0.1952]\n", + " PeriodicSite: S (19.09, 19.49, 14.0) [0.9399, 0.9595, 0.6893]\n", + " PeriodicSite: S (3.427, 5.98, 6.191) [0.1687, 0.2944, 0.3048]\n", + " PeriodicSite: S (3.974, 6.49, 16.36) [0.1956, 0.3195, 0.8054]\n", + " PeriodicSite: S (3.993, 16.71, 6.352) [0.1966, 0.8229, 0.3127]\n", + " PeriodicSite: S (3.835, 16.49, 16.37) [0.1888, 0.8118, 0.8059]\n", + " PeriodicSite: S (14.42, 6.323, 6.233) [0.7099, 0.3113, 0.3068]\n", + " PeriodicSite: S (14.57, 6.463, 16.45) [0.7172, 0.3182, 0.8098]\n", + " PeriodicSite: S (14.16, 16.07, 6.399) [0.697, 0.7911, 0.3151]\n", + " PeriodicSite: S (13.99, 16.02, 16.78) [0.6887, 0.7885, 0.8261]\n", + " PeriodicSite: S (6.082, 6.748, 4.191) [0.2994, 0.3322, 0.2063]\n", + " PeriodicSite: S (6.036, 6.63, 13.92) [0.2971, 0.3264, 0.6853]\n", + " PeriodicSite: S (6.468, 16.68, 4.202) [0.3184, 0.8213, 0.2069]\n", + " PeriodicSite: S (6.722, 16.38, 14.57) [0.3309, 0.8066, 0.7172]\n", + " PeriodicSite: S (16.3, 6.341, 3.597) [0.8025, 0.3122, 0.1771]\n", + " PeriodicSite: S (16.42, 5.942, 13.73) [0.8084, 0.2925, 0.6759]\n", + " PeriodicSite: S (16.46, 16.58, 4.191) [0.8103, 0.8161, 0.2063]\n", + " PeriodicSite: S (15.84, 16.32, 13.97) [0.7798, 0.8033, 0.6877]\n", + " PeriodicSite: S (1.146, 8.564, 6.55) [0.0564, 0.4216, 0.3224]\n", + " PeriodicSite: S (1.099, 9.047, 16.45) [0.05412, 0.4454, 0.81]\n", + " PeriodicSite: S (0.772, 18.98, 6.367) [0.038, 0.9344, 0.3135]\n", + " PeriodicSite: S (0.9134, 19.03, 16.44) [0.04496, 0.937, 0.8095]\n", + " PeriodicSite: S (11.61, 8.813, 6.183) [0.5714, 0.4339, 0.3044]\n", + " PeriodicSite: S (11.13, 9.09, 16.73) [0.548, 0.4475, 0.8238]\n", + " PeriodicSite: S (10.99, 19.55, 6.562) [0.5413, 0.9626, 0.323]\n", + " PeriodicSite: S (11.01, 19.23, 15.82) [0.5422, 0.9468, 0.7786]\n", + " PeriodicSite: S (2.492, 17.71, 2.74) [0.1227, 0.8721, 0.1349]\n", + " PeriodicSite: S (2.657, 17.66, 12.88) [0.1308, 0.8697, 0.6341]\n", + " PeriodicSite: S (12.8, 7.287, 12.74) [0.6303, 0.3587, 0.627]\n", + " PeriodicSite: S (12.88, 17.76, 2.364) [0.6342, 0.8745, 0.1164]\n", + " PeriodicSite: S (4.462, 4.051, 3.589) [0.2197, 0.1994, 0.1767]\n", + " PeriodicSite: S (3.674, 4.164, 13.69) [0.1809, 0.205, 0.6741]\n", + " PeriodicSite: S (3.91, 14.65, 3.658) [0.1925, 0.7213, 0.1801]\n", + " PeriodicSite: S (4.342, 14.18, 14.14) [0.2137, 0.6982, 0.6959]\n", + " PeriodicSite: S (14.0, 3.829, 4.028) [0.6895, 0.1885, 0.1983]\n", + " PeriodicSite: S (13.63, 4.026, 14.22) [0.6712, 0.1982, 0.7003]\n", + " PeriodicSite: S (14.04, 14.09, 3.746) [0.6911, 0.6937, 0.1844]\n", + " PeriodicSite: S (13.52, 13.88, 14.02) [0.6658, 0.6832, 0.6904]\n", + " PeriodicSite: S (8.544, 1.433, 6.134) [0.4206, 0.07056, 0.302]\n", + " PeriodicSite: S (8.841, 1.436, 16.6) [0.4353, 0.0707, 0.8173]\n", + " PeriodicSite: S (9.459, 11.44, 6.061) [0.4657, 0.5634, 0.2984]\n", + " PeriodicSite: S (8.743, 11.38, 16.48) [0.4304, 0.56, 0.8116]\n", + " PeriodicSite: S (18.91, 1.317, 6.395) [0.9311, 0.06483, 0.3148]\n", + " PeriodicSite: S (19.29, 1.638, 16.17) [0.9498, 0.08064, 0.796]\n", + " PeriodicSite: S (19.36, 11.15, 6.719) [0.953, 0.5487, 0.3308]\n", + " PeriodicSite: S (19.37, 11.59, 16.4) [0.9534, 0.5706, 0.8072]\n", + " PeriodicSite: S (1.015, 1.139, 3.998) [0.04998, 0.05607, 0.1968]\n", + " PeriodicSite: S (1.757, 1.155, 14.24) [0.08652, 0.05686, 0.701]\n", + " PeriodicSite: S (1.311, 11.1, 4.503) [0.06455, 0.5467, 0.2217]\n", + " PeriodicSite: S (1.317, 11.22, 14.06) [0.06486, 0.5525, 0.6924]\n", + " PeriodicSite: S (10.96, 1.217, 3.745) [0.5398, 0.05989, 0.1844]\n", + " PeriodicSite: S (11.08, 1.701, 14.04) [0.5455, 0.08374, 0.6912]\n", + " PeriodicSite: S (11.43, 11.06, 3.468) [0.5625, 0.5443, 0.1707]\n", + " PeriodicSite: S (11.18, 11.29, 14.27) [0.5506, 0.5558, 0.7025]\n", + " PeriodicSite: S (5.867, 3.941, 6.611) [0.2888, 0.194, 0.3255]\n", + " PeriodicSite: S (6.206, 3.908, 15.97) [0.3055, 0.1924, 0.7864]\n", + " PeriodicSite: S (6.056, 14.0, 6.057) [0.2982, 0.689, 0.2982]\n", + " PeriodicSite: S (6.256, 14.09, 16.88) [0.308, 0.6938, 0.8309]\n", + " PeriodicSite: S (16.63, 3.974, 6.12) [0.8185, 0.1957, 0.3013]\n", + " PeriodicSite: S (16.25, 3.76, 16.22) [0.7999, 0.1851, 0.7985]\n", + " PeriodicSite: S (16.69, 13.81, 5.868) [0.8218, 0.6799, 0.2889]\n", + " PeriodicSite: S (16.26, 13.83, 16.16) [0.8004, 0.6807, 0.7955]\n", + " PeriodicSite: S (7.724, 2.892, 12.65) [0.3803, 0.1424, 0.6228]\n", + " PeriodicSite: S (7.644, 12.9, 2.414) [0.3763, 0.6351, 0.1188]\n", + " PeriodicSite: S (17.53, 2.454, 2.476) [0.8632, 0.1208, 0.1219]\n", + " PeriodicSite: S (17.64, 12.25, 2.662) [0.8684, 0.603, 0.1311]\n", + " PeriodicSite: S (17.68, 12.57, 12.6) [0.8706, 0.6186, 0.6203]\n", + " PeriodicSite: S (3.821, 9.474, 8.985) [0.1881, 0.4664, 0.4423]\n", + " PeriodicSite: S (3.553, 9.018, 19.14) [0.1749, 0.444, 0.9422]\n", + " PeriodicSite: S (3.648, 19.12, 9.271) [0.1796, 0.9413, 0.4564]\n", + " PeriodicSite: S (4.063, 19.06, 19.19) [0.2, 0.9383, 0.9449]\n", + " PeriodicSite: S (14.17, 8.831, 8.966) [0.6974, 0.4348, 0.4414]\n", + " PeriodicSite: S (13.77, 8.944, 19.32) [0.6781, 0.4403, 0.9511]\n", + " PeriodicSite: S (14.04, 19.25, 8.859) [0.6914, 0.9477, 0.4362]\n", + " PeriodicSite: S (14.36, 19.09, 18.94) [0.7069, 0.9399, 0.9325]\n", + " PeriodicSite: S (8.935, 5.462, 1.68) [0.4399, 0.2689, 0.08273]\n", + " PeriodicSite: S (8.895, 6.498, 10.85) [0.4379, 0.3199, 0.5343]\n", + " PeriodicSite: S (8.74, 16.4, 1.252) [0.4303, 0.8073, 0.06166]\n", + " PeriodicSite: S (9.308, 16.8, 11.69) [0.4583, 0.8269, 0.5756]\n", + " PeriodicSite: S (19.21, 6.293, 1.417) [0.9455, 0.3098, 0.06978]\n", + " PeriodicSite: S (19.15, 5.931, 11.75) [0.9426, 0.292, 0.5782]\n", + " PeriodicSite: S (18.98, 15.95, 1.35) [0.9344, 0.7852, 0.06645]\n", + " PeriodicSite: S (19.07, 16.17, 11.25) [0.939, 0.7958, 0.5541]\n", + " PeriodicSite: S (1.468, 6.12, 9.754) [0.07228, 0.3013, 0.4802]\n", + " PeriodicSite: S (1.073, 6.416, 19.42) [0.05281, 0.3158, 0.9559]\n", + " PeriodicSite: S (0.9823, 16.45, 9.033) [0.04835, 0.8097, 0.4447]\n", + " PeriodicSite: S (0.8989, 16.06, 19.21) [0.04425, 0.7908, 0.9459]\n", + " PeriodicSite: S (11.17, 6.432, 8.346) [0.5501, 0.3166, 0.4109]\n", + " PeriodicSite: S (10.85, 5.99, 18.85) [0.5342, 0.2949, 0.928]\n", + " PeriodicSite: S (11.25, 16.51, 8.879) [0.5541, 0.813, 0.4371]\n", + " PeriodicSite: S (11.29, 16.56, 19.19) [0.5557, 0.8155, 0.9448]\n", + " PeriodicSite: S (6.097, 9.109, 1.158) [0.3002, 0.4485, 0.057]\n", + " PeriodicSite: S (6.002, 9.427, 11.55) [0.2955, 0.4641, 0.5688]\n", + " PeriodicSite: S (6.23, 19.44, 1.469) [0.3067, 0.9568, 0.07232]\n", + " PeriodicSite: S (6.205, 18.88, 11.36) [0.3055, 0.9293, 0.5595]\n", + " PeriodicSite: S (16.33, 9.058, 1.105) [0.8039, 0.446, 0.05442]\n", + " PeriodicSite: S (16.23, 8.744, 11.6) [0.799, 0.4304, 0.5709]\n", + " PeriodicSite: S (16.46, 19.49, 1.194) [0.8106, 0.9597, 0.05881]\n", + " PeriodicSite: S (16.32, 19.37, 11.39) [0.8034, 0.9537, 0.5609]\n", + " PeriodicSite: S (7.513, 7.638, 17.81) [0.3699, 0.376, 0.8766]\n", + " PeriodicSite: S (7.696, 17.52, 7.934) [0.3789, 0.8627, 0.3906]\n", + " PeriodicSite: S (17.86, 7.69, 7.717) [0.8794, 0.3786, 0.3799]\n", + " PeriodicSite: S (17.48, 17.67, 7.832) [0.8606, 0.87, 0.3856]\n", + " PeriodicSite: P (5.033, 20.3, 0.154) [0.2478, 0.9992, 0.007586]\n", + " PeriodicSite: P (5.076, 20.13, 10.29) [0.2499, 0.9909, 0.5066]\n", + " PeriodicSite: P (4.883, 10.15, 20.21) [0.2404, 0.4996, 0.9949]\n", + " PeriodicSite: P (5.068, 10.71, 10.23) [0.2495, 0.5272, 0.5035]\n", + " PeriodicSite: P (15.48, 0.1016, 20.08) [0.762, 0.004995, 0.9888]\n", + " PeriodicSite: P (14.91, 0.2291, 10.19) [0.7341, 0.01127, 0.5017]\n", + " PeriodicSite: P (15.11, 10.16, 20.31) [0.7437, 0.5004, 1.0]\n", + " PeriodicSite: P (15.29, 10.01, 10.33) [0.7527, 0.4926, 0.5087]\n", + " PeriodicSite: P (5.0, 5.322, 5.118) [0.2462, 0.262, 0.252]\n", + " PeriodicSite: P (4.902, 5.205, 14.99) [0.2414, 0.2562, 0.7382]\n", + " PeriodicSite: P (5.056, 15.53, 5.079) [0.2489, 0.7646, 0.25]\n", + " PeriodicSite: P (5.279, 15.28, 15.51) [0.2599, 0.7524, 0.7635]\n", + " PeriodicSite: P (15.35, 5.049, 4.983) [0.7557, 0.2486, 0.2453]\n", + " PeriodicSite: P (15.23, 5.023, 15.15) [0.7498, 0.2473, 0.7459]\n", + " PeriodicSite: P (15.34, 15.06, 5.076) [0.7551, 0.7415, 0.2499]\n", + " PeriodicSite: P (14.78, 14.95, 15.16) [0.7278, 0.7361, 0.7463]\n", + " PeriodicSite: P (20.01, 20.24, 5.194) [0.9852, 0.9966, 0.2557]\n", + " PeriodicSite: P (0.09754, 0.2545, 15.07) [0.004806, 0.01253, 0.7421]\n", + " PeriodicSite: P (20.27, 9.978, 5.382) [0.998, 0.4912, 0.265]\n", + " PeriodicSite: P (20.26, 10.26, 15.02) [0.9974, 0.5049, 0.7393]\n", + " PeriodicSite: P (9.834, 0.06594, 5.104) [0.4841, 0.003242, 0.2513]\n", + " PeriodicSite: P (9.736, 0.3957, 15.11) [0.4793, 0.01948, 0.7439]\n", + " PeriodicSite: P (10.39, 9.999, 4.88) [0.5117, 0.4922, 0.2402]\n", + " PeriodicSite: P (9.915, 10.14, 15.42) [0.4881, 0.499, 0.7591]\n", + " PeriodicSite: P (0.08227, 5.114, 0.2215) [0.004048, 0.2518, 0.01091]\n", + " PeriodicSite: P (0.1349, 4.867, 10.52) [0.006643, 0.2396, 0.5177]\n", + " PeriodicSite: P (20.26, 14.74, 0.2207) [0.9973, 0.7258, 0.01087]\n", + " PeriodicSite: P (20.19, 15.04, 10.1) [0.994, 0.7402, 0.4971]\n", + " PeriodicSite: P (10.16, 4.753, 0.1461) [0.5003, 0.234, 0.007194]\n", + " PeriodicSite: P (10.02, 5.332, 9.62) [0.4934, 0.2625, 0.4736]\n", + " PeriodicSite: P (10.08, 15.33, 0.08536) [0.4962, 0.7547, 0.004206]\n", + " PeriodicSite: P (10.19, 15.43, 10.3) [0.5019, 0.7596, 0.5072],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (0.9331, 6.965, 3.897) [0.04594, 0.3429, 0.1918]\n", + " PeriodicSite: Li (0.9732, 3.306, 13.8) [0.04792, 0.1627, 0.6793]\n", + " PeriodicSite: Li (0.3774, 12.77, 7.065) [0.01858, 0.6288, 0.3478]\n", + " PeriodicSite: Li (0.6394, 12.99, 16.49) [0.03148, 0.6396, 0.8117]\n", + " PeriodicSite: Li (14.42, 0.8378, 7.108) [0.7098, 0.04124, 0.35]\n", + " PeriodicSite: Li (11.28, 3.239, 15.72) [0.5555, 0.1594, 0.7741]\n", + " PeriodicSite: Li (14.48, 11.33, 3.857) [0.7129, 0.558, 0.1899]\n", + " PeriodicSite: Li (15.94, 7.849, 15.35) [0.7846, 0.3864, 0.7556]\n", + " PeriodicSite: Li (4.467, 4.94, 8.095) [0.2199, 0.2432, 0.3985]\n", + " PeriodicSite: Li (1.454, 2.39, 19.98) [0.07158, 0.1177, 0.9836]\n", + " PeriodicSite: Li (3.968, 8.13, 4.949) [0.1953, 0.4002, 0.2436]\n", + " PeriodicSite: Li (6.698, 10.04, 17.5) [0.3297, 0.4944, 0.8616]\n", + " PeriodicSite: Li (12.36, 4.53, 5.758) [0.6087, 0.223, 0.2835]\n", + " PeriodicSite: Li (12.99, 20.03, 16.63) [0.6394, 0.9862, 0.8187]\n", + " PeriodicSite: Li (10.88, 9.775, 12.65) [0.5358, 0.4812, 0.6226]\n", + " PeriodicSite: Li (8.52, 18.56, 19.8) [0.4194, 0.9139, 0.9748]\n", + " PeriodicSite: Li (5.975, 1.644, 6.433) [0.2942, 0.08094, 0.3167]\n", + " PeriodicSite: Li (4.742, 19.43, 13.26) [0.2334, 0.9567, 0.6527]\n", + " PeriodicSite: Li (3.065, 10.18, 6.931) [0.1509, 0.501, 0.3412]\n", + " PeriodicSite: Li (6.962, 10.24, 13.48) [0.3428, 0.5039, 0.6638]\n", + " PeriodicSite: Li (12.03, 1.913, 9.523) [0.5923, 0.09418, 0.4688]\n", + " PeriodicSite: Li (10.98, 1.535, 19.27) [0.5405, 0.07559, 0.9485]\n", + " PeriodicSite: Li (13.45, 15.26, 8.903) [0.6623, 0.7513, 0.4383]\n", + " PeriodicSite: Li (11.5, 9.244, 1.299) [0.5663, 0.4551, 0.06395]\n", + " PeriodicSite: Li (0.3262, 3.846, 6.964) [0.01606, 0.1893, 0.3428]\n", + " PeriodicSite: Li (0.5359, 3.384, 17.1) [0.02638, 0.1666, 0.8419]\n", + " PeriodicSite: Li (2.339, 14.97, 6.904) [0.1151, 0.7368, 0.3399]\n", + " PeriodicSite: Li (2.794, 15.07, 18.49) [0.1375, 0.742, 0.9104]\n", + " PeriodicSite: Li (12.85, 1.735, 5.198) [0.6325, 0.08542, 0.2559]\n", + " PeriodicSite: Li (15.41, 1.723, 16.47) [0.7585, 0.0848, 0.8107]\n", + " PeriodicSite: Li (11.97, 12.11, 10.25) [0.5895, 0.5964, 0.5044]\n", + " PeriodicSite: Li (16.16, 17.21, 19.2) [0.7955, 0.8471, 0.945]\n", + " PeriodicSite: Li (4.719, 1.58, 3.244) [0.2323, 0.0778, 0.1597]\n", + " PeriodicSite: Li (0.2406, 17.66, 2.728) [0.01184, 0.8694, 0.1343]\n", + " PeriodicSite: Li (2.992, 14.55, 9.818) [0.1473, 0.7162, 0.4833]\n", + " PeriodicSite: Li (2.389, 15.55, 15.18) [0.1176, 0.7654, 0.7472]\n", + " PeriodicSite: Li (14.9, 3.122, 8.012) [0.7337, 0.1537, 0.3944]\n", + " PeriodicSite: Li (13.11, 5.755, 18.43) [0.6453, 0.2833, 0.9075]\n", + " PeriodicSite: Li (16.48, 15.7, 7.6) [0.8114, 0.7727, 0.3742]\n", + " PeriodicSite: Li (10.4, 11.75, 18.64) [0.512, 0.5786, 0.9178]\n", + " PeriodicSite: Li (3.471, 2.484, 5.619) [0.1709, 0.1223, 0.2767]\n", + " PeriodicSite: Li (2.799, 0.6028, 17.22) [0.1378, 0.02968, 0.8476]\n", + " PeriodicSite: Li (4.198, 12.24, 5.527) [0.2067, 0.6026, 0.2721]\n", + " PeriodicSite: Li (18.46, 14.63, 4.193) [0.909, 0.7201, 0.2064]\n", + " PeriodicSite: Li (10.35, 2.966, 6.976) [0.5097, 0.146, 0.3435]\n", + " PeriodicSite: Li (17.3, 0.4326, 14.56) [0.8518, 0.02129, 0.7169]\n", + " PeriodicSite: Li (14.47, 10.65, 7.35) [0.7125, 0.5245, 0.3619]\n", + " PeriodicSite: Li (14.27, 10.79, 17.52) [0.7027, 0.5311, 0.8627]\n", + " PeriodicSite: Li (4.265, 12.3, 15.76) [0.21, 0.6056, 0.7757]\n", + " PeriodicSite: Li (2.232, 11.72, 9.718) [0.1099, 0.5768, 0.4784]\n", + " PeriodicSite: Li (2.149, 16.46, 4.416) [0.1058, 0.8101, 0.2174]\n", + " PeriodicSite: Li (0.5882, 1.779, 9.436) [0.02896, 0.0876, 0.4646]\n", + " PeriodicSite: Li (13.44, 5.21, 1.685) [0.6619, 0.2565, 0.08297]\n", + " PeriodicSite: Li (12.2, 6.762, 14.89) [0.6006, 0.3329, 0.733]\n", + " PeriodicSite: Li (10.69, 12.82, 6.127) [0.5261, 0.6313, 0.3016]\n", + " PeriodicSite: Li (12.73, 20.25, 13.58) [0.6268, 0.9971, 0.6684]\n", + " PeriodicSite: Li (3.348, 5.847, 1.744) [0.1648, 0.2879, 0.08586]\n", + " PeriodicSite: Li (3.128, 4.444, 10.76) [0.154, 0.2188, 0.5295]\n", + " PeriodicSite: Li (4.804, 16.79, 19.02) [0.2365, 0.8267, 0.9363]\n", + " PeriodicSite: Li (3.023, 18.39, 15.26) [0.1488, 0.9051, 0.7514]\n", + " PeriodicSite: Li (14.36, 2.792, 19.13) [0.707, 0.1374, 0.9419]\n", + " PeriodicSite: Li (10.93, 5.973, 12.3) [0.5383, 0.2941, 0.6057]\n", + " PeriodicSite: Li (11.85, 15.74, 3.573) [0.5835, 0.7749, 0.1759]\n", + " PeriodicSite: Li (10.29, 17.47, 13.94) [0.5064, 0.8599, 0.6862]\n", + " PeriodicSite: Li (2.998, 9.815, 16.24) [0.1476, 0.4832, 0.7996]\n", + " PeriodicSite: Li (4.633, 7.332, 11.6) [0.2281, 0.361, 0.5713]\n", + " PeriodicSite: Li (4.874, 16.51, 1.861) [0.24, 0.8126, 0.09164]\n", + " PeriodicSite: Li (3.009, 17.47, 10.74) [0.1482, 0.8601, 0.529]\n", + " PeriodicSite: Li (10.35, 6.633, 2.878) [0.5098, 0.3265, 0.1417]\n", + " PeriodicSite: Li (14.67, 6.174, 12.2) [0.7223, 0.304, 0.6005]\n", + " PeriodicSite: Li (10.7, 19.21, 2.608) [0.5266, 0.9456, 0.1284]\n", + " PeriodicSite: Li (13.92, 15.39, 12.14) [0.6851, 0.7578, 0.5976]\n", + " PeriodicSite: Li (1.999, 9.195, 0.9956) [0.09838, 0.4527, 0.04902]\n", + " PeriodicSite: Li (17.29, 4.777, 7.809) [0.851, 0.2352, 0.3844]\n", + " PeriodicSite: Li (2.741, 19.79, 4.064) [0.1349, 0.9744, 0.2001]\n", + " PeriodicSite: Li (1.564, 19.75, 12.47) [0.07701, 0.9722, 0.6141]\n", + " PeriodicSite: Li (9.259, 6.987, 5.872) [0.4558, 0.344, 0.2891]\n", + " PeriodicSite: Li (13.31, 11.68, 15.34) [0.6554, 0.5752, 0.7554]\n", + " PeriodicSite: Li (14.77, 16.13, 2.313) [0.7274, 0.7939, 0.1139]\n", + " PeriodicSite: Li (11.5, 15.13, 17.65) [0.5663, 0.7448, 0.8688]\n", + " PeriodicSite: Li (7.168, 8.716, 5.021) [0.3529, 0.4291, 0.2472]\n", + " PeriodicSite: Li (20.24, 11.55, 12.82) [0.9963, 0.5686, 0.6313]\n", + " PeriodicSite: Li (19.99, 16.46, 7.422) [0.9839, 0.8104, 0.3654]\n", + " PeriodicSite: Li (7.133, 18.48, 15.61) [0.3511, 0.9099, 0.7684]\n", + " PeriodicSite: Li (17.09, 9.944, 3.256) [0.8414, 0.4895, 0.1603]\n", + " PeriodicSite: Li (12.32, 7.936, 10.29) [0.6063, 0.3907, 0.5064]\n", + " PeriodicSite: Li (13.08, 16.32, 0.6902) [0.6441, 0.8033, 0.03399]\n", + " PeriodicSite: Li (12.02, 18.77, 10.36) [0.5917, 0.9242, 0.5103]\n", + " PeriodicSite: Li (4.82, 3.035, 19.6) [0.2373, 0.1494, 0.9649]\n", + " PeriodicSite: Li (3.869, 9.69, 13.56) [0.1905, 0.4771, 0.6677]\n", + " PeriodicSite: Li (5.39, 19.17, 3.418) [0.2654, 0.9436, 0.1683]\n", + " PeriodicSite: Li (0.8908, 16.32, 12.83) [0.04385, 0.8035, 0.6314]\n", + " PeriodicSite: Li (13.57, 8.439, 5.022) [0.668, 0.4154, 0.2472]\n", + " PeriodicSite: Li (14.16, 9.232, 13.15) [0.697, 0.4545, 0.6472]\n", + " PeriodicSite: Li (13.57, 18.35, 4.82) [0.6683, 0.9032, 0.2373]\n", + " PeriodicSite: Li (17.94, 4.129, 14.18) [0.8832, 0.2033, 0.6982]\n", + " PeriodicSite: Li (9.986, 3.306, 2.841) [0.4916, 0.1628, 0.1399]\n", + " PeriodicSite: Li (9.912, 2.438, 11.97) [0.488, 0.12, 0.5892]\n", + " PeriodicSite: Li (6.968, 12.12, 4.351) [0.343, 0.5968, 0.2142]\n", + " PeriodicSite: Li (7.091, 12.54, 15.49) [0.3491, 0.6175, 0.7628]\n", + " PeriodicSite: Li (18.24, 4.67, 3.759) [0.8979, 0.2299, 0.1851]\n", + " PeriodicSite: Li (13.08, 4.857, 8.967) [0.6441, 0.2391, 0.4415]\n", + " PeriodicSite: Li (20.26, 12.07, 2.562) [0.9975, 0.5942, 0.1261]\n", + " PeriodicSite: Li (17.46, 10.58, 13.44) [0.8597, 0.5209, 0.6618]\n", + " PeriodicSite: Li (6.993, 18.29, 5.818) [0.3443, 0.9003, 0.2864]\n", + " PeriodicSite: Li (8.35, 3.643, 14.28) [0.4111, 0.1793, 0.7032]\n", + " PeriodicSite: Li (3.662, 12.86, 20.17) [0.1803, 0.633, 0.9929]\n", + " PeriodicSite: Li (10.06, 13.82, 13.68) [0.4954, 0.6802, 0.6735]\n", + " PeriodicSite: Li (14.78, 19.35, 2.438) [0.7275, 0.9527, 0.1201]\n", + " PeriodicSite: Li (18.19, 0.1211, 11.79) [0.8953, 0.005956, 0.5805]\n", + " PeriodicSite: Li (17.47, 14.79, 0.2942) [0.8601, 0.7283, 0.01449]\n", + " PeriodicSite: Li (17.3, 14.73, 11.33) [0.8515, 0.725, 0.558]\n", + " PeriodicSite: Li (8.095, 3.501, 4.631) [0.3985, 0.1723, 0.228]\n", + " PeriodicSite: Li (7.823, 0.6969, 11.74) [0.3851, 0.03431, 0.5778]\n", + " PeriodicSite: Li (9.776, 12.71, 2.168) [0.4813, 0.6259, 0.1067]\n", + " PeriodicSite: Li (5.625, 13.45, 11.69) [0.2769, 0.6621, 0.5754]\n", + " PeriodicSite: Li (0.05233, 3.114, 3.174) [0.002576, 0.1533, 0.1563]\n", + " PeriodicSite: Li (0.8596, 7.582, 11.5) [0.04232, 0.3733, 0.5659]\n", + " PeriodicSite: Li (15.73, 13.39, 1.879) [0.7743, 0.6594, 0.09249]\n", + " PeriodicSite: Li (15.73, 12.45, 13.69) [0.7745, 0.6129, 0.6739]\n", + " PeriodicSite: Li (2.948, 0.1337, 6.827) [0.1451, 0.006583, 0.3361]\n", + " PeriodicSite: Li (6.784, 1.162, 15.16) [0.334, 0.05723, 0.7466]\n", + " PeriodicSite: Li (4.893, 13.37, 2.28) [0.2409, 0.6584, 0.1123]\n", + " PeriodicSite: Li (8.577, 7.216, 15.77) [0.4223, 0.3552, 0.7763]\n", + " PeriodicSite: Li (17.06, 4.635, 1.084) [0.84, 0.2282, 0.05338]\n", + " PeriodicSite: Li (14.55, 18.72, 12.96) [0.7161, 0.9217, 0.6379]\n", + " PeriodicSite: Li (13.55, 13.43, 19.85) [0.667, 0.6611, 0.9773]\n", + " PeriodicSite: Li (18.62, 11.66, 10.19) [0.9167, 0.574, 0.5015]\n", + " PeriodicSite: Li (7.208, 6.865, 0.3552) [0.3549, 0.338, 0.01749]\n", + " PeriodicSite: Li (5.177, 3.007, 12.27) [0.2549, 0.148, 0.604]\n", + " PeriodicSite: Li (7.532, 11.17, 0.6082) [0.3708, 0.5499, 0.02994]\n", + " PeriodicSite: Li (8.072, 12.44, 10.7) [0.3974, 0.6125, 0.5267]\n", + " PeriodicSite: Li (15.33, 2.047, 3.228) [0.7549, 0.1008, 0.1589]\n", + " PeriodicSite: Li (16.93, 3.436, 10.86) [0.8337, 0.1692, 0.5348]\n", + " PeriodicSite: Li (0.349, 10.7, 18.18) [0.01718, 0.5268, 0.8948]\n", + " PeriodicSite: Li (18.43, 13.82, 14.35) [0.9075, 0.6803, 0.7066]\n", + " PeriodicSite: Li (8.446, 1.051, 0.6338) [0.4158, 0.05173, 0.03121]\n", + " PeriodicSite: Li (6.586, 3.278, 9.937) [0.3243, 0.1614, 0.4892]\n", + " PeriodicSite: Li (8.067, 15.07, 3.431) [0.3971, 0.7421, 0.1689]\n", + " PeriodicSite: Li (4.647, 16.04, 12.69) [0.2288, 0.7895, 0.6248]\n", + " PeriodicSite: Li (18.23, 2.706, 0.05083) [0.8974, 0.1332, 0.002507]\n", + " PeriodicSite: Li (1.938, 6.472, 15.08) [0.09543, 0.3186, 0.7426]\n", + " PeriodicSite: Li (5.013, 13.74, 8.502) [0.2468, 0.6766, 0.4186]\n", + " PeriodicSite: Li (15.08, 13.01, 10.19) [0.7426, 0.6404, 0.5016]\n", + " PeriodicSite: Li (17.22, 11.92, 5.091) [0.8475, 0.5869, 0.2506]\n", + " PeriodicSite: Li (5.691, 7.824, 15.74) [0.2802, 0.3852, 0.775]\n", + " PeriodicSite: Li (7.456, 16.33, 10.25) [0.3671, 0.804, 0.5047]\n", + " PeriodicSite: Li (2.056, 19.58, 0.6878) [0.1012, 0.9641, 0.03387]\n", + " PeriodicSite: Li (17.1, 9.531, 7.448) [0.8421, 0.4692, 0.3667]\n", + " PeriodicSite: Li (3.286, 5.015, 18.74) [0.1618, 0.2469, 0.9227]\n", + " PeriodicSite: Li (17.45, 0.5322, 4.94) [0.8589, 0.02619, 0.2432]\n", + " PeriodicSite: Li (19.91, 18.58, 18.89) [0.9804, 0.9149, 0.9298]\n", + " PeriodicSite: Li (6.09, 9.913, 7.383) [0.2998, 0.488, 0.3635]\n", + " PeriodicSite: Li (7.612, 5.089, 18.03) [0.3748, 0.2505, 0.8878]\n", + " PeriodicSite: Li (8.339, 20.26, 8.093) [0.4105, 0.9975, 0.3984]\n", + " PeriodicSite: Li (8.292, 15.69, 17.04) [0.4082, 0.7727, 0.839]\n", + " PeriodicSite: Li (17.52, 6.814, 10.33) [0.8627, 0.3354, 0.5086]\n", + " PeriodicSite: Li (18.43, 8.617, 20.1) [0.9074, 0.4242, 0.9894]\n", + " PeriodicSite: Li (18.15, 19.94, 8.26) [0.8936, 0.9818, 0.4067]\n", + " PeriodicSite: Li (18.82, 17.08, 15.75) [0.9267, 0.8409, 0.7756]\n", + " PeriodicSite: Li (7.222, 6.176, 9.056) [0.3555, 0.3041, 0.4459]\n", + " PeriodicSite: Li (3.803, 2.718, 15.66) [0.1872, 0.1338, 0.7709]\n", + " PeriodicSite: Li (8.463, 18.66, 9.968) [0.4166, 0.9187, 0.4908]\n", + " PeriodicSite: Li (17.09, 10.35, 16.88) [0.8414, 0.5094, 0.8308]\n", + " PeriodicSite: Li (19.76, 8.618, 8.968) [0.9727, 0.4242, 0.4415]\n", + " PeriodicSite: Li (16.72, 5.069, 18.49) [0.8234, 0.2496, 0.9102]\n", + " PeriodicSite: Li (16.22, 17.55, 9.193) [0.7985, 0.864, 0.4526]\n", + " PeriodicSite: Li (15.31, 14.4, 17.89) [0.7538, 0.7087, 0.8809]\n", + " PeriodicSite: Li (9.898, 9.237, 8.286) [0.4873, 0.4547, 0.4079]\n", + " PeriodicSite: Li (6.059, 4.223, 1.952) [0.2983, 0.2079, 0.09608]\n", + " PeriodicSite: Li (5.254, 17.61, 8.08) [0.2587, 0.8669, 0.3978]\n", + " PeriodicSite: Li (6.901, 14.37, 0.1488) [0.3397, 0.7072, 0.00733]\n", + " PeriodicSite: Li (15.45, 7.18, 8.519) [0.7606, 0.3535, 0.4194]\n", + " PeriodicSite: Li (19.61, 6.905, 17.51) [0.9654, 0.3399, 0.8622]\n", + " PeriodicSite: Li (16.45, 18.45, 5.744) [0.81, 0.9083, 0.2828]\n", + " PeriodicSite: Li (15.4, 18.14, 15.98) [0.7582, 0.8929, 0.7869]\n", + " PeriodicSite: Li (7.087, 5.129, 12.14) [0.3489, 0.2525, 0.5976]\n", + " PeriodicSite: Li (5.187, 7.077, 18.83) [0.2554, 0.3484, 0.9269]\n", + " PeriodicSite: Li (9.756, 17.57, 6.497) [0.4803, 0.8649, 0.3198]\n", + " PeriodicSite: Li (12.62, 18.84, 0.2321) [0.6211, 0.9276, 0.01143]\n", + " PeriodicSite: Li (16.94, 7.852, 5.577) [0.8341, 0.3866, 0.2746]\n", + " PeriodicSite: Li (15.0, 7.248, 0.6358) [0.7383, 0.3568, 0.0313]\n", + " PeriodicSite: Li (19.5, 18.05, 9.975) [0.96, 0.8888, 0.4911]\n", + " PeriodicSite: Li (18.57, 0.09164, 1.823) [0.9142, 0.004503, 0.08974]\n", + " PeriodicSite: Li (4.867, 10.03, 2.927) [0.2396, 0.494, 0.1441]\n", + " PeriodicSite: Li (9.434, 8.214, 18.27) [0.4645, 0.4044, 0.8993]\n", + " PeriodicSite: Li (7.414, 15.62, 7.789) [0.365, 0.7691, 0.3834]\n", + " PeriodicSite: Li (5.829, 19.79, 17.67) [0.2869, 0.9741, 0.8701]\n", + " PeriodicSite: Li (19.47, 7.07, 6.363) [0.9585, 0.348, 0.3132]\n", + " PeriodicSite: Li (17.95, 11.76, 0.3003) [0.8835, 0.579, 0.01479]\n", + " PeriodicSite: Li (2.333, 16.04, 1.18) [0.1149, 0.7899, 0.0581]\n", + " PeriodicSite: Li (14.76, 2.068, 13.05) [0.7265, 0.1018, 0.6422]\n", + " PeriodicSite: Cl (7.455, 12.83, 12.97) [0.367, 0.6317, 0.6384]\n", + " PeriodicSite: Cl (2.447, 12.59, 18.03) [0.1205, 0.62, 0.8877]\n", + " PeriodicSite: Cl (12.47, 18.42, 12.62) [0.6139, 0.9066, 0.6211]\n", + " PeriodicSite: Cl (17.52, 8.028, 17.55) [0.8627, 0.3952, 0.8638]\n", + " PeriodicSite: Cl (7.5, 2.473, 2.701) [0.3692, 0.1217, 0.133]\n", + " PeriodicSite: Cl (7.557, 7.922, 7.266) [0.372, 0.39, 0.3577]\n", + " PeriodicSite: Cl (12.81, 12.69, 7.998) [0.6306, 0.6246, 0.3937]\n", + " PeriodicSite: Cl (3.073, 7.821, 2.846) [0.1513, 0.385, 0.1401]\n", + " PeriodicSite: Cl (2.673, 7.715, 12.97) [0.1316, 0.3798, 0.6386]\n", + " PeriodicSite: Cl (12.67, 12.84, 17.82) [0.6239, 0.6322, 0.8774]\n", + " PeriodicSite: Cl (17.86, 17.72, 17.59) [0.8791, 0.8725, 0.8661]\n", + " PeriodicSite: Cl (2.22, 2.417, 7.668) [0.1093, 0.119, 0.3775]\n", + " PeriodicSite: Cl (12.54, 2.199, 17.55) [0.6173, 0.1082, 0.8639]\n", + " PeriodicSite: Cl (12.3, 7.011, 2.24) [0.6058, 0.3451, 0.1103]\n", + " PeriodicSite: Cl (17.1, 2.159, 12.88) [0.8418, 0.1063, 0.6341]\n", + " PeriodicSite: Cl (7.299, 17.88, 18.0) [0.3594, 0.8801, 0.8862]\n", + " PeriodicSite: Cl (0.1702, 0.005737, 0.1262) [0.008377, 0.0002824, 0.006215]\n", + " PeriodicSite: Cl (19.88, 20.23, 10.43) [0.9788, 0.9959, 0.5134]\n", + " PeriodicSite: Cl (20.23, 10.14, 0.07797) [0.996, 0.4993, 0.003845]\n", + " PeriodicSite: Cl (0.2707, 10.47, 10.33) [0.01332, 0.5154, 0.5086]\n", + " PeriodicSite: Cl (10.1, 19.96, 0.2639) [0.4975, 0.9828, 0.013]\n", + " PeriodicSite: Cl (10.13, 0.05683, 9.963) [0.4986, 0.002794, 0.4905]\n", + " PeriodicSite: Cl (9.889, 10.09, 20.17) [0.4868, 0.4969, 0.993]\n", + " PeriodicSite: Cl (10.66, 9.98, 10.11) [0.5246, 0.4913, 0.4978]\n", + " PeriodicSite: Cl (20.12, 5.107, 4.69) [0.9904, 0.2514, 0.2309]\n", + " PeriodicSite: Cl (0.1086, 5.153, 15.34) [0.005349, 0.2537, 0.7554]\n", + " PeriodicSite: Cl (0.291, 15.14, 5.504) [0.01432, 0.7452, 0.271]\n", + " PeriodicSite: Cl (0.2169, 15.03, 15.06) [0.01068, 0.7401, 0.7416]\n", + " PeriodicSite: Cl (10.23, 4.471, 5.064) [0.5035, 0.2201, 0.2493]\n", + " PeriodicSite: Cl (10.33, 5.259, 15.16) [0.5083, 0.2589, 0.7462]\n", + " PeriodicSite: Cl (9.975, 15.57, 4.932) [0.4911, 0.7664, 0.2428]\n", + " PeriodicSite: Cl (10.23, 15.78, 15.39) [0.5038, 0.7767, 0.7574]\n", + " PeriodicSite: S (4.631, 0.1292, 5.15) [0.228, 0.006359, 0.2536]\n", + " PeriodicSite: S (4.823, 20.31, 15.6) [0.2374, 1.0, 0.768]\n", + " PeriodicSite: S (5.508, 10.4, 5.22) [0.2712, 0.5118, 0.257]\n", + " PeriodicSite: S (5.418, 10.27, 15.38) [0.2668, 0.5056, 0.7574]\n", + " PeriodicSite: S (15.08, 0.0585, 4.827) [0.7423, 0.002873, 0.2376]\n", + " PeriodicSite: S (14.92, 20.16, 15.09) [0.7347, 0.9926, 0.7431]\n", + " PeriodicSite: S (15.45, 9.984, 5.4) [0.7606, 0.4915, 0.2658]\n", + " PeriodicSite: S (15.18, 10.4, 15.23) [0.7473, 0.512, 0.7496]\n", + " PeriodicSite: S (5.343, 5.277, 0.02011) [0.263, 0.2598, 0.0009918]\n", + " PeriodicSite: S (5.249, 5.228, 10.36) [0.2584, 0.2574, 0.51]\n", + " PeriodicSite: S (4.332, 15.0, 0.1849) [0.2132, 0.7385, 0.009107]\n", + " PeriodicSite: S (5.03, 15.46, 10.31) [0.2476, 0.7611, 0.5074]\n", + " PeriodicSite: S (14.96, 5.089, 20.06) [0.7364, 0.2505, 0.9876]\n", + " PeriodicSite: S (15.64, 5.1, 9.671) [0.7698, 0.2511, 0.4761]\n", + " PeriodicSite: S (15.05, 15.14, 0.01542) [0.7408, 0.7453, 0.0007643]\n", + " PeriodicSite: S (15.31, 15.33, 10.17) [0.7537, 0.7548, 0.5005]\n", + " PeriodicSite: S (8.683, 4.246, 8.426) [0.4275, 0.209, 0.4148]\n", + " PeriodicSite: S (8.95, 3.255, 19.38) [0.4406, 0.1602, 0.9542]\n", + " PeriodicSite: S (8.907, 14.33, 9.373) [0.4385, 0.7055, 0.4614]\n", + " PeriodicSite: S (9.776, 14.08, 18.94) [0.4813, 0.6931, 0.9325]\n", + " PeriodicSite: S (19.37, 3.738, 8.829) [0.9535, 0.184, 0.4347]\n", + " PeriodicSite: S (19.07, 4.348, 18.6) [0.9391, 0.214, 0.9156]\n", + " PeriodicSite: S (19.32, 14.02, 8.814) [0.9511, 0.6901, 0.4339]\n", + " PeriodicSite: S (19.05, 13.65, 19.3) [0.938, 0.6721, 0.9502]\n", + " PeriodicSite: S (3.89, 1.256, 1.103) [0.1915, 0.06182, 0.05429]\n", + " PeriodicSite: S (3.935, 1.124, 11.38) [0.1937, 0.05533, 0.5603]\n", + " PeriodicSite: S (3.454, 11.09, 1.251) [0.17, 0.546, 0.06161]\n", + " PeriodicSite: S (4.042, 11.63, 11.55) [0.199, 0.5723, 0.5687]\n", + " PeriodicSite: S (14.04, 1.147, 0.8711) [0.691, 0.05646, 0.04289]\n", + " PeriodicSite: S (13.6, 0.7671, 11.13) [0.6696, 0.03776, 0.5478]\n", + " PeriodicSite: S (14.1, 11.59, 1.35) [0.694, 0.5706, 0.06648]\n", + " PeriodicSite: S (14.02, 11.28, 11.54) [0.6904, 0.5555, 0.5682]\n", + " PeriodicSite: S (6.298, 1.264, 8.867) [0.3101, 0.06225, 0.4365]\n", + " PeriodicSite: S (6.405, 0.9608, 19.46) [0.3153, 0.0473, 0.9578]\n", + " PeriodicSite: S (6.498, 11.63, 9.116) [0.3199, 0.5723, 0.4488]\n", + " PeriodicSite: S (5.769, 11.73, 19.17) [0.284, 0.5774, 0.944]\n", + " PeriodicSite: S (16.41, 1.458, 9.081) [0.8078, 0.07178, 0.4471]\n", + " PeriodicSite: S (16.17, 1.243, 18.78) [0.7962, 0.06121, 0.9248]\n", + " PeriodicSite: S (16.32, 11.2, 9.116) [0.8034, 0.5516, 0.4488]\n", + " PeriodicSite: S (16.11, 11.46, 18.99) [0.793, 0.5643, 0.935]\n", + " PeriodicSite: S (0.9548, 4.066, 1.29) [0.047, 0.2002, 0.0635]\n", + " PeriodicSite: S (1.195, 3.296, 11.37) [0.05881, 0.1623, 0.5596]\n", + " PeriodicSite: S (1.3, 13.83, 1.539) [0.06401, 0.6808, 0.07575]\n", + " PeriodicSite: S (1.405, 13.81, 11.46) [0.06915, 0.6801, 0.5643]\n", + " PeriodicSite: S (11.54, 3.58, 0.922) [0.5681, 0.1763, 0.0454]\n", + " PeriodicSite: S (11.3, 3.779, 10.82) [0.5563, 0.186, 0.5325]\n", + " PeriodicSite: S (11.48, 14.62, 1.588) [0.565, 0.7198, 0.07819]\n", + " PeriodicSite: S (11.59, 14.3, 11.41) [0.5707, 0.7038, 0.5618]\n", + " PeriodicSite: S (2.776, 2.803, 18.09) [0.1367, 0.138, 0.8907]\n", + " PeriodicSite: S (2.862, 12.51, 7.646) [0.1409, 0.6161, 0.3764]\n", + " PeriodicSite: S (12.76, 2.731, 7.495) [0.6284, 0.1344, 0.369]\n", + " PeriodicSite: S (9.122, 8.472, 3.89) [0.4491, 0.4171, 0.1915]\n", + " PeriodicSite: S (8.961, 9.128, 14.14) [0.4411, 0.4494, 0.6962]\n", + " PeriodicSite: S (8.588, 19.15, 4.28) [0.4228, 0.9428, 0.2107]\n", + " PeriodicSite: S (8.263, 19.67, 13.72) [0.4068, 0.9686, 0.6755]\n", + " PeriodicSite: S (19.1, 8.396, 4.488) [0.9402, 0.4133, 0.2209]\n", + " PeriodicSite: S (19.23, 9.063, 14.02) [0.9466, 0.4462, 0.6904]\n", + " PeriodicSite: S (18.76, 19.23, 3.951) [0.9238, 0.9469, 0.1945]\n", + " PeriodicSite: S (19.29, 19.42, 14.01) [0.9498, 0.9563, 0.6896]\n", + " PeriodicSite: S (3.261, 6.046, 5.984) [0.1605, 0.2976, 0.2946]\n", + " PeriodicSite: S (4.054, 6.188, 16.39) [0.1996, 0.3046, 0.8069]\n", + " PeriodicSite: S (3.85, 16.63, 6.441) [0.1895, 0.8186, 0.3171]\n", + " PeriodicSite: S (3.88, 16.65, 16.68) [0.191, 0.8195, 0.8213]\n", + " PeriodicSite: S (14.15, 6.072, 6.287) [0.6968, 0.2989, 0.3095]\n", + " PeriodicSite: S (14.27, 6.552, 16.34) [0.7025, 0.3225, 0.8044]\n", + " PeriodicSite: S (14.34, 16.53, 6.388) [0.7061, 0.8135, 0.3145]\n", + " PeriodicSite: S (13.96, 15.95, 16.58) [0.6875, 0.785, 0.8161]\n", + " PeriodicSite: S (5.967, 6.477, 4.024) [0.2938, 0.3189, 0.1981]\n", + " PeriodicSite: S (6.34, 6.325, 14.01) [0.3121, 0.3114, 0.6898]\n", + " PeriodicSite: S (6.277, 16.71, 4.121) [0.309, 0.8228, 0.2029]\n", + " PeriodicSite: S (6.426, 16.37, 14.29) [0.3164, 0.806, 0.7037]\n", + " PeriodicSite: S (16.28, 6.172, 3.635) [0.8012, 0.3038, 0.179]\n", + " PeriodicSite: S (16.25, 5.972, 13.8) [0.8, 0.294, 0.6793]\n", + " PeriodicSite: S (16.69, 16.31, 4.069) [0.8217, 0.803, 0.2003]\n", + " PeriodicSite: S (16.0, 16.59, 14.08) [0.7878, 0.8165, 0.693]\n", + " PeriodicSite: S (1.071, 8.673, 6.965) [0.0527, 0.427, 0.3429]\n", + " PeriodicSite: S (0.9326, 8.813, 16.6) [0.04591, 0.4339, 0.8175]\n", + " PeriodicSite: S (1.259, 18.85, 5.88) [0.062, 0.9282, 0.2895]\n", + " PeriodicSite: S (0.7515, 19.11, 16.77) [0.03699, 0.941, 0.8257]\n", + " PeriodicSite: S (11.33, 9.151, 6.276) [0.5579, 0.4505, 0.309]\n", + " PeriodicSite: S (11.05, 9.027, 16.48) [0.544, 0.4444, 0.8113]\n", + " PeriodicSite: S (11.15, 19.56, 6.504) [0.5488, 0.9631, 0.3202]\n", + " PeriodicSite: S (10.93, 19.16, 16.01) [0.5379, 0.9433, 0.7884]\n", + " PeriodicSite: S (2.439, 18.02, 2.313) [0.1201, 0.8871, 0.1139]\n", + " PeriodicSite: S (2.661, 17.94, 13.07) [0.131, 0.8834, 0.6432]\n", + " PeriodicSite: S (12.55, 7.724, 12.56) [0.6178, 0.3802, 0.6181]\n", + " PeriodicSite: S (12.94, 17.93, 2.461) [0.6369, 0.8829, 0.1212]\n", + " PeriodicSite: S (4.013, 3.71, 3.655) [0.1976, 0.1826, 0.1799]\n", + " PeriodicSite: S (3.701, 4.066, 13.79) [0.1822, 0.2002, 0.6787]\n", + " PeriodicSite: S (3.794, 14.44, 4.062) [0.1868, 0.711, 0.2]\n", + " PeriodicSite: S (4.153, 14.23, 14.4) [0.2044, 0.7007, 0.7088]\n", + " PeriodicSite: S (13.92, 3.742, 3.859) [0.6852, 0.1842, 0.19]\n", + " PeriodicSite: S (13.62, 3.854, 14.41) [0.6705, 0.1897, 0.7094]\n", + " PeriodicSite: S (14.14, 14.15, 3.712) [0.6959, 0.6968, 0.1828]\n", + " PeriodicSite: S (13.85, 13.92, 13.91) [0.6817, 0.6851, 0.685]\n", + " PeriodicSite: S (8.601, 1.525, 6.112) [0.4235, 0.07505, 0.3009]\n", + " PeriodicSite: S (8.972, 1.707, 16.1) [0.4417, 0.08404, 0.7928]\n", + " PeriodicSite: S (9.028, 11.43, 5.347) [0.4445, 0.5628, 0.2632]\n", + " PeriodicSite: S (8.772, 11.33, 16.68) [0.4318, 0.5576, 0.8212]\n", + " PeriodicSite: S (19.3, 1.063, 6.555) [0.9502, 0.05235, 0.3227]\n", + " PeriodicSite: S (19.15, 1.628, 16.13) [0.9429, 0.08014, 0.7943]\n", + " PeriodicSite: S (19.04, 11.07, 6.791) [0.9373, 0.5452, 0.3343]\n", + " PeriodicSite: S (19.24, 11.59, 16.3) [0.9472, 0.5705, 0.8022]\n", + " PeriodicSite: S (1.319, 1.176, 3.991) [0.06496, 0.05789, 0.1965]\n", + " PeriodicSite: S (1.612, 1.016, 14.46) [0.07935, 0.05, 0.7119]\n", + " PeriodicSite: S (1.207, 10.86, 4.486) [0.05944, 0.5348, 0.2209]\n", + " PeriodicSite: S (1.76, 11.19, 14.59) [0.08666, 0.5508, 0.7182]\n", + " PeriodicSite: S (11.03, 1.269, 3.706) [0.5428, 0.06248, 0.1824]\n", + " PeriodicSite: S (11.08, 1.589, 13.82) [0.5457, 0.07824, 0.6805]\n", + " PeriodicSite: S (11.72, 10.61, 3.399) [0.5769, 0.5222, 0.1673]\n", + " PeriodicSite: S (11.2, 11.47, 14.18) [0.5516, 0.5646, 0.698]\n", + " PeriodicSite: S (5.953, 4.048, 6.322) [0.2931, 0.1993, 0.3112]\n", + " PeriodicSite: S (6.455, 3.666, 15.94) [0.3178, 0.1805, 0.7845]\n", + " PeriodicSite: S (6.408, 14.15, 6.311) [0.3155, 0.6965, 0.3107]\n", + " PeriodicSite: S (6.143, 14.26, 16.96) [0.3024, 0.7018, 0.8351]\n", + " PeriodicSite: S (16.68, 3.682, 5.771) [0.8214, 0.1812, 0.2841]\n", + " PeriodicSite: S (16.45, 3.992, 16.22) [0.8099, 0.1965, 0.7986]\n", + " PeriodicSite: S (16.24, 13.81, 6.364) [0.7996, 0.6798, 0.3133]\n", + " PeriodicSite: S (16.45, 13.83, 15.91) [0.8098, 0.6808, 0.7835]\n", + " PeriodicSite: S (7.519, 2.754, 12.25) [0.3702, 0.1356, 0.603]\n", + " PeriodicSite: S (7.512, 12.9, 2.205) [0.3698, 0.6349, 0.1086]\n", + " PeriodicSite: S (17.79, 2.635, 2.354) [0.8759, 0.1297, 0.1159]\n", + " PeriodicSite: S (17.7, 12.21, 2.776) [0.8716, 0.6012, 0.1367]\n", + " PeriodicSite: S (17.85, 12.78, 12.43) [0.879, 0.6289, 0.6118]\n", + " PeriodicSite: S (4.185, 9.326, 9.007) [0.206, 0.4591, 0.4434]\n", + " PeriodicSite: S (3.596, 9.054, 18.82) [0.177, 0.4457, 0.9267]\n", + " PeriodicSite: S (3.743, 19.22, 8.973) [0.1843, 0.9463, 0.4418]\n", + " PeriodicSite: S (3.652, 19.1, 19.2) [0.1798, 0.9402, 0.9453]\n", + " PeriodicSite: S (13.98, 9.115, 8.907) [0.6883, 0.4487, 0.4385]\n", + " PeriodicSite: S (13.57, 9.071, 19.52) [0.6682, 0.4466, 0.9611]\n", + " PeriodicSite: S (14.48, 19.13, 8.377) [0.7127, 0.9417, 0.4124]\n", + " PeriodicSite: S (13.95, 18.95, 18.75) [0.6867, 0.9331, 0.9232]\n", + " PeriodicSite: S (8.84, 5.441, 1.555) [0.4352, 0.2679, 0.07653]\n", + " PeriodicSite: S (9.023, 6.207, 11.1) [0.4442, 0.3056, 0.5466]\n", + " PeriodicSite: S (8.496, 16.35, 0.7662) [0.4182, 0.8048, 0.03773]\n", + " PeriodicSite: S (9.467, 17.06, 11.29) [0.4661, 0.8398, 0.556]\n", + " PeriodicSite: S (18.75, 6.202, 1.14) [0.923, 0.3053, 0.05612]\n", + " PeriodicSite: S (19.42, 5.71, 11.79) [0.9561, 0.2811, 0.5805]\n", + " PeriodicSite: S (19.06, 15.69, 1.805) [0.9383, 0.7724, 0.08889]\n", + " PeriodicSite: S (19.37, 16.2, 11.47) [0.9538, 0.7975, 0.5645]\n", + " PeriodicSite: S (1.67, 6.061, 9.54) [0.08222, 0.2984, 0.4697]\n", + " PeriodicSite: S (1.1, 6.583, 19.59) [0.05416, 0.3241, 0.9645]\n", + " PeriodicSite: S (1.532, 16.32, 9.065) [0.0754, 0.8036, 0.4463]\n", + " PeriodicSite: S (0.8206, 16.18, 19.43) [0.0404, 0.7966, 0.9567]\n", + " PeriodicSite: S (11.25, 6.418, 8.674) [0.554, 0.3159, 0.427]\n", + " PeriodicSite: S (10.89, 6.072, 19.22) [0.5362, 0.2989, 0.9464]\n", + " PeriodicSite: S (11.36, 16.51, 8.751) [0.5594, 0.8129, 0.4308]\n", + " PeriodicSite: S (11.45, 16.88, 19.32) [0.5639, 0.8309, 0.9513]\n", + " PeriodicSite: S (6.042, 9.055, 0.7825) [0.2975, 0.4458, 0.03853]\n", + " PeriodicSite: S (6.453, 9.037, 11.19) [0.3177, 0.4449, 0.5511]\n", + " PeriodicSite: S (6.012, 18.62, 1.168) [0.296, 0.9166, 0.05753]\n", + " PeriodicSite: S (6.406, 19.28, 11.22) [0.3154, 0.949, 0.5524]\n", + " PeriodicSite: S (16.46, 8.997, 1.134) [0.8102, 0.4429, 0.05583]\n", + " PeriodicSite: S (16.37, 9.003, 11.53) [0.8061, 0.4432, 0.5675]\n", + " PeriodicSite: S (16.27, 19.01, 0.6688) [0.8009, 0.9357, 0.03293]\n", + " PeriodicSite: S (16.28, 19.18, 11.29) [0.8013, 0.9444, 0.5559]\n", + " PeriodicSite: S (7.235, 7.546, 17.82) [0.3562, 0.3715, 0.8775]\n", + " PeriodicSite: S (7.61, 17.94, 8.038) [0.3746, 0.8832, 0.3957]\n", + " PeriodicSite: S (17.78, 7.199, 7.883) [0.8755, 0.3544, 0.3881]\n", + " PeriodicSite: S (18.12, 17.6, 7.911) [0.8921, 0.8663, 0.3895]\n", + " PeriodicSite: P (4.936, 20.11, 0.1636) [0.243, 0.99, 0.008056]\n", + " PeriodicSite: P (5.079, 0.124, 10.08) [0.2501, 0.006105, 0.4963]\n", + " PeriodicSite: P (4.674, 10.23, 20.13) [0.2301, 0.5038, 0.9911]\n", + " PeriodicSite: P (5.298, 10.39, 10.29) [0.2608, 0.5115, 0.5066]\n", + " PeriodicSite: P (15.04, 20.24, 19.9) [0.7405, 0.9965, 0.9797]\n", + " PeriodicSite: P (15.25, 0.08716, 9.957) [0.7505, 0.004285, 0.4902]\n", + " PeriodicSite: P (15.03, 10.28, 0.09809) [0.7398, 0.5061, 0.004834]\n", + " PeriodicSite: P (15.13, 10.06, 10.3) [0.7447, 0.4955, 0.5071]\n", + " PeriodicSite: P (4.824, 5.075, 5.098) [0.2375, 0.2499, 0.251]\n", + " PeriodicSite: P (5.161, 5.012, 15.0) [0.2541, 0.2467, 0.7387]\n", + " PeriodicSite: P (5.157, 15.41, 5.337) [0.2539, 0.7587, 0.2628]\n", + " PeriodicSite: P (5.282, 15.47, 15.64) [0.26, 0.7614, 0.77]\n", + " PeriodicSite: P (15.28, 4.939, 4.88) [0.7524, 0.2432, 0.2402]\n", + " PeriodicSite: P (15.03, 5.091, 15.13) [0.7401, 0.2506, 0.7447]\n", + " PeriodicSite: P (15.32, 15.21, 5.055) [0.7543, 0.7489, 0.2489]\n", + " PeriodicSite: P (15.05, 15.14, 15.08) [0.7409, 0.7452, 0.7426]\n", + " PeriodicSite: P (0.04333, 0.004206, 5.098) [0.002135, 0.0002075, 0.251]\n", + " PeriodicSite: P (0.07723, 0.1389, 15.45) [0.003806, 0.00684, 0.7604]\n", + " PeriodicSite: P (20.3, 9.681, 5.605) [0.9992, 0.4766, 0.276]\n", + " PeriodicSite: P (0.06836, 10.09, 15.36) [0.003365, 0.4967, 0.7562]\n", + " PeriodicSite: P (9.929, 0.188, 5.15) [0.4888, 0.009251, 0.2535]\n", + " PeriodicSite: P (9.816, 0.2797, 14.87) [0.4833, 0.01377, 0.732]\n", + " PeriodicSite: P (10.31, 9.975, 4.792) [0.5075, 0.4911, 0.2359]\n", + " PeriodicSite: P (10.05, 10.34, 15.37) [0.4946, 0.5091, 0.7567]\n", + " PeriodicSite: P (20.11, 5.229, 0.01515) [0.9903, 0.2574, 0.0007519]\n", + " PeriodicSite: P (0.1676, 4.745, 10.33) [0.008253, 0.2336, 0.5084]\n", + " PeriodicSite: P (20.25, 14.77, 0.3255) [0.9971, 0.7271, 0.01603]\n", + " PeriodicSite: P (0.248, 15.0, 10.15) [0.0122, 0.7385, 0.4999]\n", + " PeriodicSite: P (10.09, 4.676, 0.05634) [0.4968, 0.2302, 0.002777]\n", + " PeriodicSite: P (9.984, 5.01, 9.813) [0.4915, 0.2466, 0.4831]\n", + " PeriodicSite: P (10.38, 15.53, 0.1024) [0.5109, 0.7646, 0.005043]\n", + " PeriodicSite: P (10.34, 15.52, 10.26) [0.509, 0.764, 0.5052],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.081, 6.513, 4.18) [0.05322, 0.3206, 0.2058]\n", + " PeriodicSite: Li (1.617, 3.803, 13.56) [0.07963, 0.1872, 0.6678]\n", + " PeriodicSite: Li (0.4987, 12.45, 7.651) [0.02455, 0.613, 0.3766]\n", + " PeriodicSite: Li (1.269, 13.26, 15.95) [0.06249, 0.6528, 0.7851]\n", + " PeriodicSite: Li (15.0, 0.582, 7.368) [0.7385, 0.02865, 0.3627]\n", + " PeriodicSite: Li (11.81, 2.989, 15.22) [0.5815, 0.1472, 0.7494]\n", + " PeriodicSite: Li (14.06, 11.45, 3.921) [0.6923, 0.5639, 0.1931]\n", + " PeriodicSite: Li (15.6, 7.741, 15.78) [0.7681, 0.3811, 0.7768]\n", + " PeriodicSite: Li (4.801, 5.652, 7.846) [0.2364, 0.2782, 0.3863]\n", + " PeriodicSite: Li (1.757, 2.135, 20.15) [0.08651, 0.1051, 0.9918]\n", + " PeriodicSite: Li (4.077, 7.835, 4.399) [0.2007, 0.3857, 0.2166]\n", + " PeriodicSite: Li (6.862, 9.956, 17.22) [0.3378, 0.4902, 0.8478]\n", + " PeriodicSite: Li (12.36, 4.315, 5.678) [0.6087, 0.2124, 0.2795]\n", + " PeriodicSite: Li (13.32, 0.4328, 16.75) [0.6557, 0.0213, 0.8244]\n", + " PeriodicSite: Li (10.66, 9.583, 12.72) [0.5248, 0.4718, 0.6262]\n", + " PeriodicSite: Li (9.258, 18.3, 19.37) [0.4558, 0.9011, 0.9538]\n", + " PeriodicSite: Li (6.287, 1.288, 6.522) [0.3095, 0.06342, 0.3211]\n", + " PeriodicSite: Li (4.238, 19.68, 13.03) [0.2086, 0.969, 0.6417]\n", + " PeriodicSite: Li (3.018, 10.26, 7.196) [0.1486, 0.5053, 0.3543]\n", + " PeriodicSite: Li (6.419, 10.54, 12.95) [0.316, 0.5189, 0.6376]\n", + " PeriodicSite: Li (12.66, 1.199, 9.452) [0.6234, 0.05904, 0.4653]\n", + " PeriodicSite: Li (10.32, 1.746, 18.93) [0.5082, 0.08596, 0.9318]\n", + " PeriodicSite: Li (14.51, 15.02, 8.073) [0.7142, 0.7395, 0.3974]\n", + " PeriodicSite: Li (11.9, 9.238, 1.345) [0.5857, 0.4548, 0.06623]\n", + " PeriodicSite: Li (0.6467, 2.834, 6.382) [0.03184, 0.1395, 0.3142]\n", + " PeriodicSite: Li (0.154, 2.789, 17.33) [0.007587, 0.1373, 0.8532]\n", + " PeriodicSite: Li (2.322, 14.37, 6.361) [0.1143, 0.7073, 0.3131]\n", + " PeriodicSite: Li (3.069, 15.31, 18.73) [0.1511, 0.7539, 0.9221]\n", + " PeriodicSite: Li (13.46, 1.607, 5.166) [0.6627, 0.07913, 0.2543]\n", + " PeriodicSite: Li (15.91, 1.832, 16.33) [0.7832, 0.09021, 0.8042]\n", + " PeriodicSite: Li (12.31, 11.67, 9.599) [0.6061, 0.5743, 0.4726]\n", + " PeriodicSite: Li (15.24, 17.07, 19.11) [0.7502, 0.8404, 0.9407]\n", + " PeriodicSite: Li (5.107, 1.895, 3.247) [0.2514, 0.09331, 0.1599]\n", + " PeriodicSite: Li (0.4403, 17.64, 2.116) [0.02167, 0.8686, 0.1042]\n", + " PeriodicSite: Li (3.15, 14.5, 9.29) [0.1551, 0.714, 0.4573]\n", + " PeriodicSite: Li (2.35, 16.39, 14.96) [0.1157, 0.8071, 0.7366]\n", + " PeriodicSite: Li (14.94, 3.771, 7.834) [0.7353, 0.1856, 0.3857]\n", + " PeriodicSite: Li (12.8, 5.332, 18.5) [0.63, 0.2625, 0.9108]\n", + " PeriodicSite: Li (17.5, 15.23, 8.416) [0.8617, 0.7499, 0.4143]\n", + " PeriodicSite: Li (10.76, 12.05, 18.61) [0.5298, 0.5931, 0.9162]\n", + " PeriodicSite: Li (3.369, 2.122, 4.991) [0.1659, 0.1045, 0.2457]\n", + " PeriodicSite: Li (2.541, 0.3649, 17.45) [0.1251, 0.01796, 0.8591]\n", + " PeriodicSite: Li (4.635, 12.04, 5.797) [0.2282, 0.5926, 0.2854]\n", + " PeriodicSite: Li (18.64, 14.68, 3.642) [0.9179, 0.7225, 0.1793]\n", + " PeriodicSite: Li (10.46, 2.69, 7.855) [0.5152, 0.1324, 0.3867]\n", + " PeriodicSite: Li (17.32, 0.04632, 14.6) [0.8529, 0.002274, 0.7188]\n", + " PeriodicSite: Li (14.26, 11.15, 7.112) [0.7021, 0.5488, 0.3502]\n", + " PeriodicSite: Li (14.33, 10.21, 17.22) [0.7053, 0.5028, 0.8478]\n", + " PeriodicSite: Li (4.643, 12.52, 15.89) [0.2286, 0.6162, 0.7822]\n", + " PeriodicSite: Li (2.353, 11.39, 10.06) [0.1158, 0.5607, 0.4951]\n", + " PeriodicSite: Li (2.065, 16.71, 4.939) [0.1016, 0.8228, 0.2431]\n", + " PeriodicSite: Li (0.6786, 1.808, 9.325) [0.03341, 0.08902, 0.4591]\n", + " PeriodicSite: Li (13.34, 5.281, 1.682) [0.6567, 0.26, 0.0828]\n", + " PeriodicSite: Li (12.42, 7.48, 14.75) [0.6114, 0.3682, 0.7261]\n", + " PeriodicSite: Li (10.17, 14.06, 6.962) [0.5005, 0.6922, 0.3428]\n", + " PeriodicSite: Li (12.43, 19.81, 14.01) [0.6118, 0.9751, 0.6899]\n", + " PeriodicSite: Li (3.025, 5.888, 0.8785) [0.1489, 0.2899, 0.04325]\n", + " PeriodicSite: Li (3.272, 4.095, 10.22) [0.1611, 0.2016, 0.503]\n", + " PeriodicSite: Li (6.006, 16.85, 19.56) [0.2957, 0.8296, 0.9629]\n", + " PeriodicSite: Li (2.992, 18.79, 15.27) [0.1473, 0.9252, 0.7519]\n", + " PeriodicSite: Li (14.19, 2.783, 19.8) [0.6984, 0.137, 0.9746]\n", + " PeriodicSite: Li (11.16, 5.677, 12.5) [0.5496, 0.2795, 0.6153]\n", + " PeriodicSite: Li (12.0, 15.39, 3.451) [0.5907, 0.7576, 0.1699]\n", + " PeriodicSite: Li (10.28, 17.69, 14.31) [0.5059, 0.871, 0.7046]\n", + " PeriodicSite: Li (3.058, 10.65, 16.71) [0.1505, 0.5243, 0.8229]\n", + " PeriodicSite: Li (4.535, 7.027, 11.59) [0.2233, 0.3459, 0.5706]\n", + " PeriodicSite: Li (4.859, 16.58, 1.999) [0.2392, 0.8161, 0.09841]\n", + " PeriodicSite: Li (3.681, 17.4, 10.68) [0.1812, 0.8566, 0.5258]\n", + " PeriodicSite: Li (10.3, 6.588, 2.927) [0.5069, 0.3243, 0.1441]\n", + " PeriodicSite: Li (14.34, 6.854, 11.34) [0.7059, 0.3374, 0.5583]\n", + " PeriodicSite: Li (10.61, 18.96, 2.726) [0.5224, 0.9332, 0.1342]\n", + " PeriodicSite: Li (13.71, 15.84, 11.35) [0.6749, 0.7797, 0.5588]\n", + " PeriodicSite: Li (1.835, 9.102, 0.327) [0.09033, 0.4481, 0.0161]\n", + " PeriodicSite: Li (18.13, 5.585, 8.321) [0.8928, 0.2749, 0.4097]\n", + " PeriodicSite: Li (2.802, 19.68, 4.024) [0.1379, 0.9686, 0.1981]\n", + " PeriodicSite: Li (0.9605, 19.45, 12.7) [0.04728, 0.9576, 0.6254]\n", + " PeriodicSite: Li (10.17, 7.037, 6.3) [0.5007, 0.3464, 0.3102]\n", + " PeriodicSite: Li (13.28, 12.6, 15.35) [0.6539, 0.6203, 0.7559]\n", + " PeriodicSite: Li (15.24, 16.66, 2.057) [0.7503, 0.8199, 0.1013]\n", + " PeriodicSite: Li (11.94, 15.54, 16.57) [0.5879, 0.7652, 0.8158]\n", + " PeriodicSite: Li (6.946, 8.209, 5.209) [0.342, 0.4042, 0.2565]\n", + " PeriodicSite: Li (20.11, 11.46, 12.29) [0.99, 0.5644, 0.605]\n", + " PeriodicSite: Li (19.99, 17.34, 6.672) [0.9839, 0.8536, 0.3285]\n", + " PeriodicSite: Li (6.943, 18.86, 15.12) [0.3418, 0.9286, 0.7446]\n", + " PeriodicSite: Li (16.86, 10.03, 3.254) [0.8298, 0.4939, 0.1602]\n", + " PeriodicSite: Li (11.9, 8.251, 10.56) [0.5857, 0.4062, 0.5198]\n", + " PeriodicSite: Li (12.72, 16.26, 0.6131) [0.6264, 0.8003, 0.03019]\n", + " PeriodicSite: Li (11.4, 18.45, 10.69) [0.5614, 0.9082, 0.5261]\n", + " PeriodicSite: Li (4.621, 2.925, 19.35) [0.2275, 0.144, 0.9526]\n", + " PeriodicSite: Li (3.657, 9.766, 13.64) [0.18, 0.4808, 0.6715]\n", + " PeriodicSite: Li (4.844, 18.92, 3.055) [0.2385, 0.9312, 0.1504]\n", + " PeriodicSite: Li (1.2, 15.64, 12.51) [0.05908, 0.7697, 0.6161]\n", + " PeriodicSite: Li (13.48, 8.305, 5.0) [0.6636, 0.4088, 0.2462]\n", + " PeriodicSite: Li (13.98, 9.452, 13.13) [0.6883, 0.4653, 0.6463]\n", + " PeriodicSite: Li (13.54, 18.7, 5.067) [0.6666, 0.9206, 0.2494]\n", + " PeriodicSite: Li (17.75, 5.007, 14.77) [0.8737, 0.2465, 0.7273]\n", + " PeriodicSite: Li (9.814, 3.38, 2.816) [0.4832, 0.1664, 0.1386]\n", + " PeriodicSite: Li (9.67, 2.377, 11.71) [0.4761, 0.117, 0.5763]\n", + " PeriodicSite: Li (7.26, 11.58, 4.172) [0.3574, 0.5699, 0.2054]\n", + " PeriodicSite: Li (7.418, 12.28, 15.29) [0.3652, 0.6044, 0.7529]\n", + " PeriodicSite: Li (18.1, 4.3, 3.887) [0.8913, 0.2117, 0.1914]\n", + " PeriodicSite: Li (13.12, 4.454, 9.325) [0.646, 0.2193, 0.4591]\n", + " PeriodicSite: Li (19.86, 11.92, 3.553) [0.9777, 0.5867, 0.1749]\n", + " PeriodicSite: Li (17.61, 10.07, 13.34) [0.8669, 0.4957, 0.6568]\n", + " PeriodicSite: Li (6.316, 18.55, 5.819) [0.3109, 0.9134, 0.2865]\n", + " PeriodicSite: Li (8.188, 4.016, 14.64) [0.4031, 0.1977, 0.7209]\n", + " PeriodicSite: Li (2.949, 12.94, 20.09) [0.1452, 0.637, 0.9892]\n", + " PeriodicSite: Li (10.21, 14.26, 13.44) [0.5028, 0.7019, 0.6617]\n", + " PeriodicSite: Li (14.76, 19.45, 2.766) [0.7266, 0.9576, 0.1362]\n", + " PeriodicSite: Li (18.21, 0.5899, 11.89) [0.8963, 0.02903, 0.5852]\n", + " PeriodicSite: Li (17.37, 15.43, 20.15) [0.8549, 0.7598, 0.9918]\n", + " PeriodicSite: Li (16.99, 15.03, 11.87) [0.8366, 0.74, 0.5846]\n", + " PeriodicSite: Li (8.2, 3.674, 5.022) [0.4037, 0.1809, 0.2472]\n", + " PeriodicSite: Li (7.368, 0.4791, 11.98) [0.3628, 0.02358, 0.5896]\n", + " PeriodicSite: Li (9.518, 12.24, 2.609) [0.4686, 0.6024, 0.1284]\n", + " PeriodicSite: Li (5.174, 13.21, 11.66) [0.2547, 0.6506, 0.5739]\n", + " PeriodicSite: Li (19.9, 3.017, 2.256) [0.9795, 0.1485, 0.1111]\n", + " PeriodicSite: Li (0.6593, 7.469, 11.64) [0.03246, 0.3677, 0.5731]\n", + " PeriodicSite: Li (15.84, 13.76, 2.573) [0.7799, 0.6773, 0.1267]\n", + " PeriodicSite: Li (16.05, 12.44, 14.29) [0.7904, 0.6126, 0.7034]\n", + " PeriodicSite: Li (3.349, 0.09859, 6.835) [0.1649, 0.004853, 0.3365]\n", + " PeriodicSite: Li (6.944, 1.341, 14.75) [0.3419, 0.06604, 0.7263]\n", + " PeriodicSite: Li (5.013, 13.42, 1.966) [0.2468, 0.6605, 0.09677]\n", + " PeriodicSite: Li (8.853, 7.245, 15.73) [0.4359, 0.3567, 0.7744]\n", + " PeriodicSite: Li (16.81, 4.769, 1.219) [0.8276, 0.2348, 0.06004]\n", + " PeriodicSite: Li (14.99, 18.9, 13.11) [0.7379, 0.9306, 0.6453]\n", + " PeriodicSite: Li (13.55, 13.61, 0.3778) [0.667, 0.6699, 0.0186]\n", + " PeriodicSite: Li (18.18, 11.89, 10.17) [0.8948, 0.5855, 0.5009]\n", + " PeriodicSite: Li (7.033, 7.276, 19.95) [0.3462, 0.3582, 0.9823]\n", + " PeriodicSite: Li (5.198, 2.915, 12.44) [0.2559, 0.1435, 0.6123]\n", + " PeriodicSite: Li (7.62, 11.15, 0.7653) [0.3752, 0.5489, 0.03768]\n", + " PeriodicSite: Li (8.882, 11.89, 10.95) [0.4373, 0.5853, 0.539]\n", + " PeriodicSite: Li (15.44, 1.807, 2.632) [0.7602, 0.08893, 0.1296]\n", + " PeriodicSite: Li (16.93, 3.351, 10.55) [0.8337, 0.165, 0.5194]\n", + " PeriodicSite: Li (0.3608, 11.32, 18.66) [0.01776, 0.5575, 0.9188]\n", + " PeriodicSite: Li (18.91, 13.08, 14.73) [0.931, 0.6437, 0.7254]\n", + " PeriodicSite: Li (7.653, 2.376, 0.1444) [0.3768, 0.117, 0.00711]\n", + " PeriodicSite: Li (6.956, 3.401, 10.21) [0.3425, 0.1674, 0.5027]\n", + " PeriodicSite: Li (8.199, 15.09, 2.965) [0.4036, 0.7429, 0.146]\n", + " PeriodicSite: Li (4.805, 16.06, 12.81) [0.2366, 0.7906, 0.6306]\n", + " PeriodicSite: Li (18.35, 2.229, 19.86) [0.9034, 0.1098, 0.978]\n", + " PeriodicSite: Li (1.955, 7.003, 15.21) [0.09627, 0.3448, 0.7487]\n", + " PeriodicSite: Li (5.499, 13.45, 8.709) [0.2707, 0.6623, 0.4287]\n", + " PeriodicSite: Li (15.24, 13.23, 10.85) [0.7502, 0.6515, 0.5342]\n", + " PeriodicSite: Li (16.86, 12.16, 5.158) [0.83, 0.5987, 0.2539]\n", + " PeriodicSite: Li (5.666, 8.018, 15.73) [0.2789, 0.3948, 0.7742]\n", + " PeriodicSite: Li (7.463, 14.79, 11.23) [0.3674, 0.7283, 0.5526]\n", + " PeriodicSite: Li (2.096, 19.27, 1.191) [0.1032, 0.9486, 0.05864]\n", + " PeriodicSite: Li (16.71, 9.987, 7.137) [0.8226, 0.4917, 0.3514]\n", + " PeriodicSite: Li (2.533, 4.822, 18.78) [0.1247, 0.2374, 0.9245]\n", + " PeriodicSite: Li (17.37, 1.572, 4.838) [0.855, 0.07737, 0.2382]\n", + " PeriodicSite: Li (19.04, 19.28, 18.31) [0.9375, 0.9492, 0.9015]\n", + " PeriodicSite: Li (6.152, 9.636, 7.301) [0.3028, 0.4744, 0.3594]\n", + " PeriodicSite: Li (6.713, 5.145, 18.27) [0.3305, 0.2533, 0.8997]\n", + " PeriodicSite: Li (8.128, 20.28, 8.35) [0.4001, 0.9982, 0.4111]\n", + " PeriodicSite: Li (8.016, 15.74, 16.83) [0.3946, 0.7749, 0.8284]\n", + " PeriodicSite: Li (16.78, 6.984, 10.23) [0.8261, 0.3438, 0.5037]\n", + " PeriodicSite: Li (18.24, 8.413, 19.93) [0.8979, 0.4142, 0.9811]\n", + " PeriodicSite: Li (18.04, 20.14, 7.801) [0.8882, 0.9917, 0.384]\n", + " PeriodicSite: Li (18.49, 17.15, 15.7) [0.91, 0.8443, 0.7729]\n", + " PeriodicSite: Li (7.097, 7.264, 9.505) [0.3494, 0.3576, 0.4679]\n", + " PeriodicSite: Li (4.202, 2.323, 16.04) [0.2069, 0.1144, 0.7895]\n", + " PeriodicSite: Li (7.862, 17.67, 9.82) [0.3871, 0.8697, 0.4835]\n", + " PeriodicSite: Li (17.13, 10.27, 16.71) [0.8432, 0.5058, 0.8227]\n", + " PeriodicSite: Li (19.61, 8.8, 8.6) [0.9657, 0.4332, 0.4234]\n", + " PeriodicSite: Li (16.46, 5.639, 18.43) [0.8101, 0.2776, 0.9076]\n", + " PeriodicSite: Li (16.06, 17.28, 8.983) [0.7906, 0.8508, 0.4423]\n", + " PeriodicSite: Li (15.18, 14.04, 18.11) [0.7475, 0.6913, 0.8915]\n", + " PeriodicSite: Li (10.11, 8.889, 8.397) [0.4977, 0.4376, 0.4134]\n", + " PeriodicSite: Li (6.425, 4.888, 1.249) [0.3163, 0.2406, 0.06148]\n", + " PeriodicSite: Li (5.568, 17.03, 8.551) [0.2741, 0.8384, 0.421]\n", + " PeriodicSite: Li (7.357, 14.33, 0.0003802) [0.3622, 0.7054, 2.188e-05]\n", + " PeriodicSite: Li (15.4, 6.85, 8.284) [0.7583, 0.3372, 0.4078]\n", + " PeriodicSite: Li (19.87, 6.363, 17.18) [0.9783, 0.3133, 0.8459]\n", + " PeriodicSite: Li (16.78, 18.24, 5.898) [0.8261, 0.898, 0.2904]\n", + " PeriodicSite: Li (15.48, 18.69, 16.47) [0.7623, 0.9201, 0.811]\n", + " PeriodicSite: Li (6.997, 4.97, 11.97) [0.3445, 0.2447, 0.5894]\n", + " PeriodicSite: Li (4.954, 7.253, 18.26) [0.2439, 0.3571, 0.899]\n", + " PeriodicSite: Li (9.762, 17.72, 6.044) [0.4806, 0.8725, 0.2975]\n", + " PeriodicSite: Li (12.32, 18.88, 0.5912) [0.6065, 0.9297, 0.02911]\n", + " PeriodicSite: Li (16.65, 7.487, 5.588) [0.8195, 0.3686, 0.2751]\n", + " PeriodicSite: Li (14.62, 7.339, 0.5733) [0.72, 0.3613, 0.02823]\n", + " PeriodicSite: Li (19.8, 17.96, 9.899) [0.9749, 0.8844, 0.4873]\n", + " PeriodicSite: Li (18.36, 0.2571, 1.741) [0.9038, 0.01265, 0.08574]\n", + " PeriodicSite: Li (4.631, 9.813, 2.679) [0.228, 0.4831, 0.1319]\n", + " PeriodicSite: Li (9.485, 8.418, 18.62) [0.4669, 0.4144, 0.9169]\n", + " PeriodicSite: Li (7.81, 15.78, 7.508) [0.3845, 0.7769, 0.3696]\n", + " PeriodicSite: Li (5.42, 19.23, 17.53) [0.2668, 0.947, 0.8629]\n", + " PeriodicSite: Li (19.5, 7.216, 6.395) [0.96, 0.3553, 0.3148]\n", + " PeriodicSite: Li (18.33, 11.79, 0.698) [0.9025, 0.5805, 0.03437]\n", + " PeriodicSite: Li (2.346, 15.64, 1.33) [0.1155, 0.7699, 0.06546]\n", + " PeriodicSite: Li (15.13, 2.002, 13.08) [0.7448, 0.09854, 0.6441]\n", + " PeriodicSite: Cl (7.6, 12.67, 12.94) [0.3741, 0.6239, 0.6371]\n", + " PeriodicSite: Cl (1.892, 12.97, 18.13) [0.09316, 0.6385, 0.8927]\n", + " PeriodicSite: Cl (12.33, 17.82, 12.64) [0.6072, 0.8773, 0.6223]\n", + " PeriodicSite: Cl (17.61, 7.809, 17.45) [0.8668, 0.3845, 0.8589]\n", + " PeriodicSite: Cl (7.402, 2.862, 2.994) [0.3644, 0.1409, 0.1474]\n", + " PeriodicSite: Cl (7.942, 8.129, 7.473) [0.391, 0.4002, 0.3679]\n", + " PeriodicSite: Cl (12.64, 12.97, 7.867) [0.6223, 0.6386, 0.3873]\n", + " PeriodicSite: Cl (2.522, 7.699, 2.361) [0.1241, 0.379, 0.1162]\n", + " PeriodicSite: Cl (2.891, 7.605, 13.04) [0.1423, 0.3744, 0.6417]\n", + " PeriodicSite: Cl (13.01, 13.12, 17.73) [0.6403, 0.6457, 0.8731]\n", + " PeriodicSite: Cl (17.28, 17.93, 17.68) [0.8506, 0.8828, 0.8702]\n", + " PeriodicSite: Cl (2.65, 2.203, 7.737) [0.1304, 0.1085, 0.3809]\n", + " PeriodicSite: Cl (12.54, 2.762, 17.83) [0.6176, 0.136, 0.8778]\n", + " PeriodicSite: Cl (12.78, 7.245, 2.823) [0.6291, 0.3567, 0.139]\n", + " PeriodicSite: Cl (17.53, 2.43, 12.83) [0.8631, 0.1196, 0.6318]\n", + " PeriodicSite: Cl (7.382, 17.69, 17.68) [0.3634, 0.871, 0.8704]\n", + " PeriodicSite: Cl (20.05, 0.5844, 0.09671) [0.9869, 0.02876, 0.004767]\n", + " PeriodicSite: Cl (20.2, 20.29, 10.63) [0.9946, 0.9988, 0.5232]\n", + " PeriodicSite: Cl (19.72, 9.906, 0.09978) [0.9708, 0.4877, 0.004919]\n", + " PeriodicSite: Cl (0.2845, 9.947, 10.46) [0.01401, 0.4897, 0.5152]\n", + " PeriodicSite: Cl (10.3, 20.22, 0.1268) [0.5073, 0.9952, 0.006247]\n", + " PeriodicSite: Cl (9.532, 0.5366, 10.19) [0.4693, 0.02641, 0.5018]\n", + " PeriodicSite: Cl (9.54, 10.18, 0.1195) [0.4697, 0.5011, 0.005886]\n", + " PeriodicSite: Cl (10.32, 10.44, 10.18) [0.5081, 0.5138, 0.5012]\n", + " PeriodicSite: Cl (20.13, 4.689, 5.126) [0.9908, 0.2308, 0.2524]\n", + " PeriodicSite: Cl (0.1864, 4.761, 15.46) [0.00918, 0.2344, 0.7611]\n", + " PeriodicSite: Cl (0.1893, 15.11, 5.66) [0.009314, 0.7437, 0.2786]\n", + " PeriodicSite: Cl (0.1143, 15.15, 15.54) [0.005624, 0.7458, 0.7651]\n", + " PeriodicSite: Cl (10.1, 4.862, 4.771) [0.4974, 0.2394, 0.2349]\n", + " PeriodicSite: Cl (10.17, 5.435, 14.92) [0.5007, 0.2676, 0.7347]\n", + " PeriodicSite: Cl (9.861, 15.13, 4.954) [0.4855, 0.7448, 0.2439]\n", + " PeriodicSite: Cl (9.767, 15.76, 15.37) [0.4808, 0.7759, 0.7565]\n", + " PeriodicSite: S (4.958, 0.1101, 4.905) [0.2441, 0.00542, 0.2415]\n", + " PeriodicSite: S (5.031, 20.29, 15.49) [0.2477, 0.9989, 0.7625]\n", + " PeriodicSite: S (5.12, 9.849, 4.976) [0.2521, 0.4849, 0.245]\n", + " PeriodicSite: S (5.24, 10.41, 15.47) [0.258, 0.5126, 0.7618]\n", + " PeriodicSite: S (15.37, 0.1864, 4.778) [0.7568, 0.00917, 0.2352]\n", + " PeriodicSite: S (14.97, 0.08501, 14.9) [0.737, 0.00418, 0.7336]\n", + " PeriodicSite: S (15.33, 9.901, 5.221) [0.7549, 0.4874, 0.2571]\n", + " PeriodicSite: S (15.36, 10.26, 15.21) [0.7563, 0.505, 0.7487]\n", + " PeriodicSite: S (4.889, 5.105, 19.79) [0.2407, 0.2513, 0.9745]\n", + " PeriodicSite: S (5.447, 5.218, 10.07) [0.2682, 0.2569, 0.4959]\n", + " PeriodicSite: S (4.684, 15.14, 0.1901) [0.2306, 0.7455, 0.009363]\n", + " PeriodicSite: S (5.289, 15.36, 10.22) [0.2604, 0.756, 0.503]\n", + " PeriodicSite: S (14.78, 5.213, 20.1) [0.7278, 0.2566, 0.9898]\n", + " PeriodicSite: S (15.32, 5.062, 9.853) [0.7543, 0.2492, 0.4851]\n", + " PeriodicSite: S (15.01, 15.24, 0.3337) [0.7392, 0.7502, 0.01643]\n", + " PeriodicSite: S (15.54, 15.37, 9.959) [0.7649, 0.7569, 0.4903]\n", + " PeriodicSite: S (8.676, 4.398, 8.54) [0.4271, 0.2165, 0.4204]\n", + " PeriodicSite: S (8.566, 3.817, 18.74) [0.4217, 0.1879, 0.9227]\n", + " PeriodicSite: S (9.206, 14.32, 9.198) [0.4532, 0.705, 0.4528]\n", + " PeriodicSite: S (9.244, 14.14, 18.58) [0.4551, 0.6961, 0.9147]\n", + " PeriodicSite: S (19.35, 3.604, 8.782) [0.9528, 0.1774, 0.4324]\n", + " PeriodicSite: S (18.9, 4.437, 18.72) [0.9304, 0.2184, 0.9214]\n", + " PeriodicSite: S (19.35, 13.77, 9.201) [0.9525, 0.6778, 0.453]\n", + " PeriodicSite: S (19.15, 13.62, 19.59) [0.9427, 0.6707, 0.9644]\n", + " PeriodicSite: S (4.114, 1.117, 1.347) [0.2025, 0.05497, 0.0663]\n", + " PeriodicSite: S (3.816, 1.197, 11.17) [0.1879, 0.05892, 0.5499]\n", + " PeriodicSite: S (3.556, 11.11, 1.229) [0.175, 0.5471, 0.06051]\n", + " PeriodicSite: S (4.224, 11.07, 11.62) [0.2079, 0.5449, 0.5718]\n", + " PeriodicSite: S (14.16, 0.8129, 1.026) [0.697, 0.04002, 0.05053]\n", + " PeriodicSite: S (14.17, 0.8807, 11.33) [0.6977, 0.04335, 0.5578]\n", + " PeriodicSite: S (14.16, 11.7, 1.623) [0.6973, 0.576, 0.0799]\n", + " PeriodicSite: S (14.17, 11.3, 11.46) [0.6974, 0.5561, 0.564]\n", + " PeriodicSite: S (6.257, 1.317, 8.97) [0.3081, 0.06483, 0.4416]\n", + " PeriodicSite: S (6.474, 0.8092, 19.23) [0.3187, 0.03983, 0.9468]\n", + " PeriodicSite: S (6.638, 11.43, 9.44) [0.3268, 0.5626, 0.4648]\n", + " PeriodicSite: S (5.956, 11.46, 19.11) [0.2932, 0.5644, 0.941]\n", + " PeriodicSite: S (16.48, 1.144, 8.998) [0.8111, 0.05629, 0.443]\n", + " PeriodicSite: S (16.18, 1.345, 18.86) [0.7965, 0.0662, 0.9284]\n", + " PeriodicSite: S (16.32, 11.3, 9.02) [0.8035, 0.5561, 0.444]\n", + " PeriodicSite: S (16.14, 11.46, 18.91) [0.7945, 0.5644, 0.9308]\n", + " PeriodicSite: S (0.8779, 4.157, 0.7966) [0.04322, 0.2046, 0.03922]\n", + " PeriodicSite: S (1.124, 3.294, 11.23) [0.05532, 0.1622, 0.5529]\n", + " PeriodicSite: S (1.031, 13.76, 1.626) [0.05075, 0.6772, 0.08007]\n", + " PeriodicSite: S (1.374, 13.64, 11.42) [0.06764, 0.6713, 0.5623]\n", + " PeriodicSite: S (11.07, 3.165, 0.549) [0.5451, 0.1558, 0.02703]\n", + " PeriodicSite: S (11.32, 4.044, 10.78) [0.5573, 0.1991, 0.5306]\n", + " PeriodicSite: S (11.16, 14.22, 1.119) [0.5494, 0.6998, 0.05507]\n", + " PeriodicSite: S (11.53, 14.4, 11.5) [0.5676, 0.7089, 0.5661]\n", + " PeriodicSite: S (2.72, 2.579, 17.94) [0.1339, 0.127, 0.8833]\n", + " PeriodicSite: S (2.993, 12.71, 8.023) [0.1474, 0.6258, 0.395]\n", + " PeriodicSite: S (12.94, 2.467, 7.439) [0.637, 0.1215, 0.3662]\n", + " PeriodicSite: S (9.114, 8.358, 3.86) [0.4487, 0.4115, 0.19]\n", + " PeriodicSite: S (8.808, 9.288, 14.16) [0.4336, 0.4572, 0.6973]\n", + " PeriodicSite: S (8.636, 19.0, 4.334) [0.4252, 0.9354, 0.2134]\n", + " PeriodicSite: S (8.589, 19.68, 13.78) [0.4228, 0.969, 0.6784]\n", + " PeriodicSite: S (18.98, 8.581, 4.469) [0.9342, 0.4225, 0.22]\n", + " PeriodicSite: S (19.66, 9.179, 13.69) [0.968, 0.4519, 0.6741]\n", + " PeriodicSite: S (19.16, 19.17, 3.812) [0.9434, 0.9439, 0.1877]\n", + " PeriodicSite: S (19.35, 19.09, 14.15) [0.9527, 0.9397, 0.6965]\n", + " PeriodicSite: S (3.501, 6.322, 5.961) [0.1724, 0.3112, 0.2935]\n", + " PeriodicSite: S (4.002, 6.337, 16.36) [0.197, 0.312, 0.8053]\n", + " PeriodicSite: S (4.104, 16.48, 6.494) [0.202, 0.8115, 0.3197]\n", + " PeriodicSite: S (4.025, 16.56, 16.97) [0.1981, 0.8152, 0.8357]\n", + " PeriodicSite: S (14.11, 6.248, 6.152) [0.6949, 0.3076, 0.3029]\n", + " PeriodicSite: S (13.73, 6.243, 16.34) [0.6758, 0.3073, 0.8046]\n", + " PeriodicSite: S (14.35, 16.79, 6.106) [0.7063, 0.8267, 0.3006]\n", + " PeriodicSite: S (14.34, 16.31, 16.69) [0.706, 0.8031, 0.8215]\n", + " PeriodicSite: S (5.991, 6.031, 3.901) [0.295, 0.2969, 0.192]\n", + " PeriodicSite: S (6.573, 6.236, 14.13) [0.3236, 0.307, 0.6956]\n", + " PeriodicSite: S (6.1, 16.55, 3.832) [0.3003, 0.815, 0.1886]\n", + " PeriodicSite: S (6.234, 16.68, 14.46) [0.3069, 0.8211, 0.712]\n", + " PeriodicSite: S (16.11, 5.968, 3.364) [0.7933, 0.2938, 0.1656]\n", + " PeriodicSite: S (16.04, 6.201, 13.88) [0.7899, 0.3053, 0.6831]\n", + " PeriodicSite: S (16.82, 15.88, 3.85) [0.8279, 0.7818, 0.1895]\n", + " PeriodicSite: S (16.67, 16.61, 14.06) [0.8209, 0.8177, 0.692]\n", + " PeriodicSite: S (1.093, 8.529, 6.78) [0.05379, 0.4199, 0.3338]\n", + " PeriodicSite: S (0.808, 8.709, 16.92) [0.03978, 0.4287, 0.8331]\n", + " PeriodicSite: S (1.409, 18.89, 6.102) [0.06934, 0.93, 0.3004]\n", + " PeriodicSite: S (0.8397, 19.28, 16.9) [0.04133, 0.9493, 0.832]\n", + " PeriodicSite: S (11.43, 8.902, 6.095) [0.5627, 0.4382, 0.3001]\n", + " PeriodicSite: S (11.2, 8.995, 16.48) [0.5512, 0.4428, 0.8111]\n", + " PeriodicSite: S (11.23, 19.58, 6.433) [0.553, 0.9638, 0.3167]\n", + " PeriodicSite: S (11.22, 19.6, 15.94) [0.5521, 0.9651, 0.7848]\n", + " PeriodicSite: S (2.547, 17.62, 2.739) [0.1254, 0.8675, 0.1348]\n", + " PeriodicSite: S (2.727, 17.71, 13.1) [0.1342, 0.8719, 0.645]\n", + " PeriodicSite: S (12.48, 7.784, 12.54) [0.6142, 0.3832, 0.6172]\n", + " PeriodicSite: S (12.9, 17.76, 2.759) [0.6352, 0.8742, 0.1358]\n", + " PeriodicSite: S (3.673, 3.826, 3.482) [0.1808, 0.1884, 0.1714]\n", + " PeriodicSite: S (3.912, 4.03, 13.96) [0.1926, 0.1984, 0.6871]\n", + " PeriodicSite: S (3.809, 13.99, 4.235) [0.1875, 0.6886, 0.2085]\n", + " PeriodicSite: S (3.772, 14.41, 14.48) [0.1857, 0.7093, 0.7127]\n", + " PeriodicSite: S (13.66, 3.762, 3.65) [0.6724, 0.1852, 0.1797]\n", + " PeriodicSite: S (13.91, 3.589, 14.17) [0.6848, 0.1767, 0.6975]\n", + " PeriodicSite: S (13.92, 14.14, 4.027) [0.6851, 0.6959, 0.1983]\n", + " PeriodicSite: S (14.22, 14.52, 13.87) [0.6999, 0.7149, 0.6828]\n", + " PeriodicSite: S (8.986, 1.469, 6.423) [0.4424, 0.07231, 0.3162]\n", + " PeriodicSite: S (9.057, 1.995, 15.9) [0.4459, 0.09822, 0.7826]\n", + " PeriodicSite: S (9.334, 11.47, 5.429) [0.4595, 0.5647, 0.2673]\n", + " PeriodicSite: S (9.033, 11.37, 16.81) [0.4447, 0.5598, 0.8274]\n", + " PeriodicSite: S (19.45, 1.084, 6.496) [0.9577, 0.05338, 0.3198]\n", + " PeriodicSite: S (18.81, 1.26, 16.24) [0.9262, 0.06202, 0.7994]\n", + " PeriodicSite: S (18.81, 11.02, 6.609) [0.9261, 0.5427, 0.3254]\n", + " PeriodicSite: S (19.31, 11.35, 16.44) [0.9504, 0.5588, 0.8092]\n", + " PeriodicSite: S (1.322, 1.314, 3.984) [0.06507, 0.06468, 0.1961]\n", + " PeriodicSite: S (1.343, 1.1, 14.5) [0.0661, 0.05417, 0.7137]\n", + " PeriodicSite: S (1.329, 10.91, 4.488) [0.06544, 0.5373, 0.2209]\n", + " PeriodicSite: S (1.827, 11.04, 14.66) [0.08992, 0.5435, 0.7216]\n", + " PeriodicSite: S (10.9, 1.105, 3.538) [0.5365, 0.05437, 0.1742]\n", + " PeriodicSite: S (11.17, 1.4, 13.44) [0.5497, 0.06893, 0.6618]\n", + " PeriodicSite: S (11.57, 10.51, 3.233) [0.5695, 0.5173, 0.1592]\n", + " PeriodicSite: S (11.12, 11.63, 14.14) [0.5477, 0.5725, 0.6963]\n", + " PeriodicSite: S (5.601, 3.84, 6.368) [0.2758, 0.1891, 0.3135]\n", + " PeriodicSite: S (6.171, 3.739, 16.39) [0.3038, 0.1841, 0.8068]\n", + " PeriodicSite: S (6.512, 14.11, 6.259) [0.3206, 0.6947, 0.3081]\n", + " PeriodicSite: S (6.355, 14.05, 16.52) [0.3129, 0.6917, 0.8133]\n", + " PeriodicSite: S (16.25, 3.681, 5.919) [0.8002, 0.1812, 0.2914]\n", + " PeriodicSite: S (16.29, 4.219, 16.53) [0.802, 0.2077, 0.8136]\n", + " PeriodicSite: S (16.02, 14.02, 6.716) [0.7886, 0.6901, 0.3307]\n", + " PeriodicSite: S (16.69, 14.02, 16.14) [0.8219, 0.6903, 0.7946]\n", + " PeriodicSite: S (7.545, 2.819, 12.6) [0.3714, 0.1388, 0.6201]\n", + " PeriodicSite: S (7.358, 12.9, 2.108) [0.3623, 0.635, 0.1038]\n", + " PeriodicSite: S (17.64, 2.588, 2.059) [0.8686, 0.1274, 0.1014]\n", + " PeriodicSite: S (17.68, 12.43, 3.064) [0.8704, 0.612, 0.1508]\n", + " PeriodicSite: S (17.89, 12.32, 12.63) [0.8808, 0.6065, 0.622]\n", + " PeriodicSite: S (4.446, 9.041, 8.964) [0.2189, 0.4451, 0.4413]\n", + " PeriodicSite: S (3.71, 8.871, 19.28) [0.1826, 0.4367, 0.9492]\n", + " PeriodicSite: S (3.945, 19.06, 8.76) [0.1942, 0.9385, 0.4313]\n", + " PeriodicSite: S (3.656, 19.21, 19.22) [0.18, 0.9456, 0.9461]\n", + " PeriodicSite: S (13.95, 8.938, 9.113) [0.6867, 0.44, 0.4486]\n", + " PeriodicSite: S (13.55, 9.537, 19.58) [0.667, 0.4695, 0.9637]\n", + " PeriodicSite: S (14.36, 19.07, 8.914) [0.707, 0.9386, 0.4388]\n", + " PeriodicSite: S (14.02, 19.12, 18.68) [0.6904, 0.9414, 0.9196]\n", + " PeriodicSite: S (8.819, 5.636, 1.253) [0.4342, 0.2775, 0.0617]\n", + " PeriodicSite: S (8.99, 6.631, 11.1) [0.4426, 0.3265, 0.5467]\n", + " PeriodicSite: S (8.682, 16.32, 0.8478) [0.4274, 0.8035, 0.04174]\n", + " PeriodicSite: S (8.99, 16.65, 11.5) [0.4426, 0.8197, 0.5661]\n", + " PeriodicSite: S (18.56, 6.362, 1.062) [0.9137, 0.3132, 0.05229]\n", + " PeriodicSite: S (19.0, 5.865, 11.55) [0.9355, 0.2887, 0.5687]\n", + " PeriodicSite: S (19.02, 16.24, 1.644) [0.9362, 0.7994, 0.08093]\n", + " PeriodicSite: S (19.41, 16.24, 11.6) [0.9555, 0.7997, 0.5709]\n", + " PeriodicSite: S (1.324, 6.044, 9.552) [0.06516, 0.2975, 0.4702]\n", + " PeriodicSite: S (1.078, 6.91, 19.31) [0.05308, 0.3402, 0.9508]\n", + " PeriodicSite: S (1.51, 16.26, 9.167) [0.07433, 0.8004, 0.4513]\n", + " PeriodicSite: S (1.008, 16.46, 19.72) [0.0496, 0.8102, 0.9709]\n", + " PeriodicSite: S (11.23, 6.535, 8.603) [0.5529, 0.3217, 0.4235]\n", + " PeriodicSite: S (10.79, 6.165, 19.28) [0.5312, 0.3035, 0.9493]\n", + " PeriodicSite: S (11.41, 16.6, 8.95) [0.5616, 0.8172, 0.4406]\n", + " PeriodicSite: S (11.18, 16.85, 19.28) [0.5502, 0.8294, 0.9491]\n", + " PeriodicSite: S (6.265, 8.949, 0.981) [0.3084, 0.4405, 0.0483]\n", + " PeriodicSite: S (6.779, 8.683, 11.33) [0.3337, 0.4275, 0.5579]\n", + " PeriodicSite: S (6.142, 18.54, 1.157) [0.3024, 0.9127, 0.05697]\n", + " PeriodicSite: S (5.985, 19.03, 11.19) [0.2947, 0.937, 0.5511]\n", + " PeriodicSite: S (16.36, 8.938, 1.11) [0.8052, 0.44, 0.05465]\n", + " PeriodicSite: S (16.15, 8.68, 11.57) [0.7953, 0.4273, 0.5695]\n", + " PeriodicSite: S (16.77, 18.89, 0.5278) [0.8254, 0.9299, 0.02599]\n", + " PeriodicSite: S (16.63, 19.13, 11.42) [0.8188, 0.9419, 0.5622]\n", + " PeriodicSite: S (7.715, 7.378, 17.7) [0.3798, 0.3632, 0.8714]\n", + " PeriodicSite: S (7.825, 18.05, 7.478) [0.3852, 0.8888, 0.3681]\n", + " PeriodicSite: S (17.65, 7.717, 8.042) [0.8688, 0.3799, 0.3959]\n", + " PeriodicSite: S (18.05, 17.7, 7.919) [0.8888, 0.8715, 0.3898]\n", + " PeriodicSite: P (5.151, 20.04, 0.076) [0.2536, 0.9867, 0.003745]\n", + " PeriodicSite: P (4.992, 0.07902, 9.996) [0.2458, 0.003889, 0.4921]\n", + " PeriodicSite: P (5.034, 10.12, 20.21) [0.2479, 0.4983, 0.9951]\n", + " PeriodicSite: P (5.48, 10.05, 10.29) [0.2698, 0.4949, 0.5067]\n", + " PeriodicSite: P (15.32, 20.18, 19.95) [0.7542, 0.9934, 0.9823]\n", + " PeriodicSite: P (15.39, 20.1, 10.23) [0.7579, 0.9895, 0.5035]\n", + " PeriodicSite: P (15.19, 10.41, 0.155) [0.7477, 0.5123, 0.007634]\n", + " PeriodicSite: P (15.23, 9.99, 10.27) [0.7497, 0.4918, 0.5058]\n", + " PeriodicSite: P (4.623, 4.987, 4.828) [0.2276, 0.2455, 0.2377]\n", + " PeriodicSite: P (5.156, 5.078, 15.19) [0.2538, 0.25, 0.7479]\n", + " PeriodicSite: P (5.12, 15.32, 5.137) [0.252, 0.7542, 0.2529]\n", + " PeriodicSite: P (5.056, 15.43, 15.61) [0.2489, 0.7596, 0.7686]\n", + " PeriodicSite: P (15.05, 4.908, 4.775) [0.741, 0.2416, 0.2351]\n", + " PeriodicSite: P (14.89, 4.93, 15.22) [0.7331, 0.2427, 0.7493]\n", + " PeriodicSite: P (15.29, 15.28, 5.152) [0.7526, 0.7524, 0.2536]\n", + " PeriodicSite: P (15.53, 15.38, 15.25) [0.7647, 0.7572, 0.7505]\n", + " PeriodicSite: P (0.06097, 20.23, 5.012) [0.002994, 0.996, 0.2467]\n", + " PeriodicSite: P (20.25, 0.1344, 15.42) [0.9969, 0.006608, 0.7593]\n", + " PeriodicSite: P (20.18, 9.87, 5.608) [0.9934, 0.4859, 0.2761]\n", + " PeriodicSite: P (0.2303, 10.03, 15.44) [0.01134, 0.4936, 0.7603]\n", + " PeriodicSite: P (9.93, 0.1515, 5.036) [0.4889, 0.007455, 0.2479]\n", + " PeriodicSite: P (9.958, 0.4816, 14.85) [0.4903, 0.0237, 0.731]\n", + " PeriodicSite: P (10.29, 9.837, 4.598) [0.5066, 0.4843, 0.2264]\n", + " PeriodicSite: P (10.04, 10.23, 15.42) [0.4943, 0.5037, 0.7594]\n", + " PeriodicSite: P (19.91, 5.56, 20.13) [0.9802, 0.2737, 0.9908]\n", + " PeriodicSite: P (20.26, 4.739, 10.3) [0.9973, 0.2333, 0.5071]\n", + " PeriodicSite: P (20.18, 15.0, 0.3732) [0.9936, 0.7383, 0.01838]\n", + " PeriodicSite: P (0.2277, 15.03, 10.28) [0.01121, 0.74, 0.5062]\n", + " PeriodicSite: P (9.847, 4.601, 20.1) [0.4848, 0.2265, 0.9897]\n", + " PeriodicSite: P (10.02, 5.422, 9.744) [0.4933, 0.2669, 0.4797]\n", + " PeriodicSite: P (10.04, 15.25, 20.03) [0.4945, 0.7508, 0.986]\n", + " PeriodicSite: P (10.41, 15.54, 10.3) [0.5126, 0.7652, 0.5072],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.26, 6.603, 4.686) [0.06202, 0.3251, 0.2307]\n", + " PeriodicSite: Li (0.8988, 3.361, 13.8) [0.04425, 0.1655, 0.6793]\n", + " PeriodicSite: Li (0.8317, 12.7, 7.391) [0.04094, 0.6254, 0.3639]\n", + " PeriodicSite: Li (0.7998, 13.29, 16.03) [0.03937, 0.6543, 0.7889]\n", + " PeriodicSite: Li (14.7, 0.3588, 7.335) [0.7238, 0.01766, 0.3611]\n", + " PeriodicSite: Li (11.63, 3.185, 15.3) [0.5725, 0.1568, 0.7534]\n", + " PeriodicSite: Li (13.88, 11.68, 4.334) [0.6835, 0.5752, 0.2134]\n", + " PeriodicSite: Li (15.23, 8.041, 15.93) [0.7499, 0.3959, 0.7843]\n", + " PeriodicSite: Li (4.957, 5.164, 7.85) [0.244, 0.2543, 0.3865]\n", + " PeriodicSite: Li (1.85, 2.392, 19.9) [0.09108, 0.1177, 0.9796]\n", + " PeriodicSite: Li (4.165, 7.837, 4.056) [0.205, 0.3858, 0.1997]\n", + " PeriodicSite: Li (6.821, 10.09, 17.05) [0.3358, 0.4969, 0.8395]\n", + " PeriodicSite: Li (12.09, 4.536, 6.062) [0.5951, 0.2233, 0.2985]\n", + " PeriodicSite: Li (13.3, 0.1242, 16.78) [0.6549, 0.00611, 0.8259]\n", + " PeriodicSite: Li (10.45, 9.246, 12.61) [0.5144, 0.4552, 0.6208]\n", + " PeriodicSite: Li (9.073, 18.25, 19.45) [0.4467, 0.8983, 0.9577]\n", + " PeriodicSite: Li (6.627, 0.6577, 6.566) [0.3263, 0.03238, 0.3233]\n", + " PeriodicSite: Li (4.08, 19.6, 12.79) [0.2009, 0.9649, 0.6298]\n", + " PeriodicSite: Li (2.729, 9.823, 6.668) [0.1344, 0.4836, 0.3283]\n", + " PeriodicSite: Li (6.721, 9.86, 13.48) [0.3309, 0.4854, 0.6639]\n", + " PeriodicSite: Li (12.68, 1.119, 9.733) [0.6243, 0.05509, 0.4792]\n", + " PeriodicSite: Li (10.41, 2.487, 18.27) [0.5125, 0.1224, 0.8995]\n", + " PeriodicSite: Li (14.67, 14.57, 8.363) [0.7224, 0.7172, 0.4117]\n", + " PeriodicSite: Li (12.16, 9.528, 1.27) [0.5988, 0.4691, 0.06251]\n", + " PeriodicSite: Li (0.2524, 2.872, 6.561) [0.01243, 0.1414, 0.323]\n", + " PeriodicSite: Li (0.02246, 3.246, 17.02) [0.001109, 0.1598, 0.838]\n", + " PeriodicSite: Li (2.384, 14.27, 6.261) [0.1174, 0.7023, 0.3082]\n", + " PeriodicSite: Li (3.659, 15.41, 18.53) [0.1802, 0.7586, 0.9123]\n", + " PeriodicSite: Li (13.31, 1.569, 5.342) [0.6554, 0.07724, 0.263]\n", + " PeriodicSite: Li (15.34, 1.883, 16.82) [0.7554, 0.09269, 0.8278]\n", + " PeriodicSite: Li (12.11, 11.81, 10.07) [0.5964, 0.5816, 0.4956]\n", + " PeriodicSite: Li (15.46, 17.29, 18.81) [0.7609, 0.8513, 0.9259]\n", + " PeriodicSite: Li (5.337, 1.713, 2.947) [0.2627, 0.08431, 0.1451]\n", + " PeriodicSite: Li (0.3509, 17.67, 2.498) [0.01727, 0.87, 0.123]\n", + " PeriodicSite: Li (2.991, 14.77, 9.899) [0.1473, 0.7273, 0.4873]\n", + " PeriodicSite: Li (1.91, 16.48, 15.43) [0.09403, 0.8112, 0.7594]\n", + " PeriodicSite: Li (15.07, 2.955, 8.616) [0.7421, 0.1455, 0.4242]\n", + " PeriodicSite: Li (13.25, 5.404, 18.54) [0.6523, 0.266, 0.9126]\n", + " PeriodicSite: Li (17.5, 15.24, 8.3) [0.8617, 0.7501, 0.4086]\n", + " PeriodicSite: Li (10.25, 12.3, 18.94) [0.5047, 0.6056, 0.9325]\n", + " PeriodicSite: Li (3.625, 2.233, 5.218) [0.1784, 0.11, 0.2569]\n", + " PeriodicSite: Li (2.212, 0.1188, 18.05) [0.1089, 0.005851, 0.8886]\n", + " PeriodicSite: Li (4.34, 12.1, 5.846) [0.2137, 0.5959, 0.2878]\n", + " PeriodicSite: Li (18.44, 14.69, 3.362) [0.908, 0.723, 0.1655]\n", + " PeriodicSite: Li (10.37, 2.338, 8.301) [0.5105, 0.1151, 0.4087]\n", + " PeriodicSite: Li (17.36, 0.3588, 14.69) [0.8545, 0.01766, 0.7234]\n", + " PeriodicSite: Li (14.55, 11.17, 7.359) [0.7161, 0.5498, 0.3623]\n", + " PeriodicSite: Li (13.96, 10.56, 17.24) [0.6873, 0.52, 0.8485]\n", + " PeriodicSite: Li (4.22, 12.17, 16.21) [0.2078, 0.5993, 0.7982]\n", + " PeriodicSite: Li (2.399, 11.28, 9.985) [0.1181, 0.5554, 0.4916]\n", + " PeriodicSite: Li (2.227, 16.89, 4.764) [0.1096, 0.8316, 0.2345]\n", + " PeriodicSite: Li (1.734, 1.467, 9.825) [0.08536, 0.07222, 0.4837]\n", + " PeriodicSite: Li (12.77, 4.462, 1.69) [0.6288, 0.2197, 0.08319]\n", + " PeriodicSite: Li (12.05, 7.331, 14.89) [0.5931, 0.3609, 0.733]\n", + " PeriodicSite: Li (10.81, 12.95, 6.658) [0.532, 0.6377, 0.3278]\n", + " PeriodicSite: Li (13.34, 20.3, 13.61) [0.6568, 0.9996, 0.67]\n", + " PeriodicSite: Li (2.984, 5.77, 0.7392) [0.1469, 0.2841, 0.03639]\n", + " PeriodicSite: Li (2.853, 4.954, 10.31) [0.1404, 0.2439, 0.5076]\n", + " PeriodicSite: Li (6.464, 16.58, 19.72) [0.3182, 0.8162, 0.971]\n", + " PeriodicSite: Li (3.069, 19.04, 15.21) [0.1511, 0.9375, 0.749]\n", + " PeriodicSite: Li (14.46, 3.009, 19.52) [0.7121, 0.1481, 0.9608]\n", + " PeriodicSite: Li (11.1, 6.075, 12.43) [0.5467, 0.2991, 0.612]\n", + " PeriodicSite: Li (11.81, 16.15, 3.986) [0.5816, 0.7951, 0.1962]\n", + " PeriodicSite: Li (10.98, 17.38, 14.06) [0.5405, 0.8556, 0.6924]\n", + " PeriodicSite: Li (3.689, 9.152, 16.89) [0.1816, 0.4506, 0.8313]\n", + " PeriodicSite: Li (4.74, 7.069, 11.73) [0.2333, 0.348, 0.5775]\n", + " PeriodicSite: Li (5.241, 16.78, 1.848) [0.258, 0.8263, 0.09099]\n", + " PeriodicSite: Li (1.999, 18.08, 10.69) [0.09838, 0.8903, 0.5261]\n", + " PeriodicSite: Li (10.48, 6.965, 3.037) [0.5158, 0.3429, 0.1495]\n", + " PeriodicSite: Li (14.54, 6.294, 11.93) [0.7158, 0.3099, 0.5872]\n", + " PeriodicSite: Li (10.57, 19.63, 2.197) [0.5202, 0.9666, 0.1081]\n", + " PeriodicSite: Li (13.44, 16.02, 10.93) [0.6615, 0.7888, 0.5382]\n", + " PeriodicSite: Li (0.6647, 8.076, 0.6258) [0.03272, 0.3976, 0.03081]\n", + " PeriodicSite: Li (16.81, 5.019, 7.855) [0.8277, 0.2471, 0.3867]\n", + " PeriodicSite: Li (2.605, 19.57, 4.127) [0.1282, 0.9635, 0.2032]\n", + " PeriodicSite: Li (0.9319, 19.22, 12.63) [0.04587, 0.946, 0.6217]\n", + " PeriodicSite: Li (9.814, 7.181, 6.168) [0.4832, 0.3535, 0.3037]\n", + " PeriodicSite: Li (13.38, 12.3, 15.22) [0.6586, 0.6055, 0.7493]\n", + " PeriodicSite: Li (14.86, 16.48, 1.979) [0.7314, 0.8114, 0.09745]\n", + " PeriodicSite: Li (12.28, 15.24, 16.66) [0.6045, 0.7501, 0.8201]\n", + " PeriodicSite: Li (7.218, 8.451, 5.387) [0.3554, 0.416, 0.2652]\n", + " PeriodicSite: Li (19.94, 11.56, 12.97) [0.9818, 0.5691, 0.6387]\n", + " PeriodicSite: Li (19.58, 16.96, 6.288) [0.9638, 0.8349, 0.3096]\n", + " PeriodicSite: Li (6.692, 18.83, 14.63) [0.3295, 0.927, 0.7203]\n", + " PeriodicSite: Li (17.03, 10.38, 3.189) [0.8384, 0.5113, 0.157]\n", + " PeriodicSite: Li (12.24, 8.485, 10.38) [0.6028, 0.4177, 0.5111]\n", + " PeriodicSite: Li (12.65, 15.75, 0.8184) [0.623, 0.7754, 0.0403]\n", + " PeriodicSite: Li (10.42, 18.26, 11.18) [0.5131, 0.8989, 0.5504]\n", + " PeriodicSite: Li (4.688, 3.165, 18.13) [0.2308, 0.1558, 0.8923]\n", + " PeriodicSite: Li (3.52, 9.954, 13.71) [0.1733, 0.49, 0.6749]\n", + " PeriodicSite: Li (4.923, 19.16, 2.931) [0.2424, 0.9434, 0.1443]\n", + " PeriodicSite: Li (1.057, 15.95, 13.15) [0.05204, 0.7853, 0.6472]\n", + " PeriodicSite: Li (13.49, 8.211, 4.424) [0.6642, 0.4042, 0.2178]\n", + " PeriodicSite: Li (14.17, 9.454, 13.26) [0.6977, 0.4654, 0.6527]\n", + " PeriodicSite: Li (13.26, 18.62, 4.548) [0.6527, 0.9166, 0.2239]\n", + " PeriodicSite: Li (17.88, 4.406, 13.98) [0.8804, 0.2169, 0.6883]\n", + " PeriodicSite: Li (9.814, 3.138, 3.125) [0.4832, 0.1545, 0.1538]\n", + " PeriodicSite: Li (9.709, 2.818, 12.06) [0.478, 0.1387, 0.5938]\n", + " PeriodicSite: Li (7.193, 11.16, 4.274) [0.3541, 0.5493, 0.2104]\n", + " PeriodicSite: Li (7.1, 12.39, 15.46) [0.3495, 0.61, 0.761]\n", + " PeriodicSite: Li (18.32, 4.195, 4.12) [0.9017, 0.2065, 0.2028]\n", + " PeriodicSite: Li (13.24, 4.796, 9.396) [0.6519, 0.2361, 0.4626]\n", + " PeriodicSite: Li (20.08, 11.4, 2.431) [0.9886, 0.5611, 0.1197]\n", + " PeriodicSite: Li (17.29, 10.28, 13.58) [0.851, 0.5061, 0.6687]\n", + " PeriodicSite: Li (6.93, 18.42, 5.459) [0.3412, 0.9069, 0.2688]\n", + " PeriodicSite: Li (8.354, 3.865, 14.73) [0.4113, 0.1903, 0.7251]\n", + " PeriodicSite: Li (3.182, 12.99, 20.19) [0.1567, 0.6394, 0.994]\n", + " PeriodicSite: Li (9.886, 13.54, 13.81) [0.4867, 0.6667, 0.6801]\n", + " PeriodicSite: Li (14.65, 19.36, 2.5) [0.7213, 0.9532, 0.1231]\n", + " PeriodicSite: Li (18.24, 0.9231, 11.03) [0.8978, 0.04544, 0.5429]\n", + " PeriodicSite: Li (17.26, 15.51, 0.04023) [0.8497, 0.7636, 0.001987]\n", + " PeriodicSite: Li (17.34, 14.75, 12.02) [0.8536, 0.7261, 0.5916]\n", + " PeriodicSite: Li (7.721, 4.187, 5.063) [0.3801, 0.2061, 0.2492]\n", + " PeriodicSite: Li (7.558, 0.562, 11.81) [0.3721, 0.02767, 0.5812]\n", + " PeriodicSite: Li (9.797, 12.86, 3.245) [0.4823, 0.6333, 0.1598]\n", + " PeriodicSite: Li (5.315, 13.1, 12.19) [0.2617, 0.6448, 0.6003]\n", + " PeriodicSite: Li (19.88, 2.58, 2.295) [0.9786, 0.127, 0.113]\n", + " PeriodicSite: Li (0.7953, 7.715, 11.43) [0.03915, 0.3798, 0.5626]\n", + " PeriodicSite: Li (16.17, 13.65, 2.402) [0.7959, 0.672, 0.1183]\n", + " PeriodicSite: Li (16.2, 12.56, 14.63) [0.7975, 0.6185, 0.7203]\n", + " PeriodicSite: Li (3.169, 0.06706, 7.123) [0.156, 0.003301, 0.3507]\n", + " PeriodicSite: Li (6.434, 1.618, 14.74) [0.3168, 0.07968, 0.7259]\n", + " PeriodicSite: Li (5.22, 13.27, 2.194) [0.257, 0.6531, 0.108]\n", + " PeriodicSite: Li (8.658, 7.411, 16.05) [0.4262, 0.3648, 0.7901]\n", + " PeriodicSite: Li (16.46, 4.932, 1.551) [0.8106, 0.2428, 0.07638]\n", + " PeriodicSite: Li (15.18, 18.0, 13.37) [0.7475, 0.8863, 0.6584]\n", + " PeriodicSite: Li (13.18, 13.18, 19.84) [0.6488, 0.6489, 0.9767]\n", + " PeriodicSite: Li (18.73, 11.76, 10.61) [0.922, 0.5788, 0.5223]\n", + " PeriodicSite: Li (7.559, 8.158, 20.24) [0.3721, 0.4016, 0.9964]\n", + " PeriodicSite: Li (4.945, 3.329, 12.04) [0.2435, 0.1639, 0.5927]\n", + " PeriodicSite: Li (8.175, 10.95, 1.123) [0.4024, 0.5392, 0.05531]\n", + " PeriodicSite: Li (9.08, 12.11, 10.66) [0.447, 0.5964, 0.525]\n", + " PeriodicSite: Li (15.43, 1.661, 2.99) [0.7598, 0.08176, 0.1472]\n", + " PeriodicSite: Li (17.47, 4.007, 10.59) [0.8603, 0.1973, 0.5211]\n", + " PeriodicSite: Li (20.3, 12.15, 18.54) [0.9993, 0.5981, 0.9127]\n", + " PeriodicSite: Li (18.58, 13.88, 14.85) [0.9146, 0.6833, 0.7309]\n", + " PeriodicSite: Li (8.005, 2.438, 0.1554) [0.3941, 0.12, 0.007654]\n", + " PeriodicSite: Li (7.222, 3.339, 10.06) [0.3556, 0.1644, 0.4955]\n", + " PeriodicSite: Li (7.846, 14.78, 2.734) [0.3862, 0.7277, 0.1346]\n", + " PeriodicSite: Li (4.593, 16.51, 12.42) [0.2261, 0.8128, 0.6115]\n", + " PeriodicSite: Li (18.21, 2.509, 0.141) [0.8966, 0.1235, 0.006947]\n", + " PeriodicSite: Li (1.734, 6.531, 14.7) [0.08536, 0.3215, 0.7236]\n", + " PeriodicSite: Li (5.085, 13.03, 8.466) [0.2503, 0.6414, 0.4168]\n", + " PeriodicSite: Li (16.1, 12.76, 11.01) [0.7929, 0.6282, 0.5423]\n", + " PeriodicSite: Li (17.27, 12.22, 5.241) [0.8505, 0.6018, 0.258]\n", + " PeriodicSite: Li (5.933, 8.038, 15.86) [0.2921, 0.3957, 0.7807]\n", + " PeriodicSite: Li (7.361, 14.61, 11.41) [0.3624, 0.7195, 0.5617]\n", + " PeriodicSite: Li (2.755, 19.11, 0.8315) [0.1356, 0.9407, 0.04094]\n", + " PeriodicSite: Li (17.06, 9.942, 7.148) [0.84, 0.4895, 0.3519]\n", + " PeriodicSite: Li (2.854, 4.918, 18.16) [0.1405, 0.2421, 0.8943]\n", + " PeriodicSite: Li (17.14, 1.382, 4.712) [0.844, 0.06802, 0.232]\n", + " PeriodicSite: Li (18.33, 19.83, 18.88) [0.9024, 0.9762, 0.9295]\n", + " PeriodicSite: Li (6.158, 9.799, 7.48) [0.3032, 0.4824, 0.3683]\n", + " PeriodicSite: Li (6.663, 5.216, 18.51) [0.328, 0.2568, 0.9113]\n", + " PeriodicSite: Li (8.341, 19.61, 8.601) [0.4106, 0.9656, 0.4234]\n", + " PeriodicSite: Li (8.586, 15.86, 16.92) [0.4227, 0.781, 0.8332]\n", + " PeriodicSite: Li (16.93, 7.255, 9.615) [0.8334, 0.3572, 0.4733]\n", + " PeriodicSite: Li (18.25, 8.432, 4.829e-05) [0.8984, 0.4151, 8.05e-06]\n", + " PeriodicSite: Li (18.49, 19.87, 8.058) [0.9101, 0.9783, 0.3967]\n", + " PeriodicSite: Li (19.21, 17.41, 15.9) [0.9457, 0.8569, 0.783]\n", + " PeriodicSite: Li (6.951, 7.021, 9.667) [0.3422, 0.3457, 0.4759]\n", + " PeriodicSite: Li (3.456, 1.65, 15.67) [0.1702, 0.08124, 0.7715]\n", + " PeriodicSite: Li (6.971, 17.03, 10.21) [0.3432, 0.8384, 0.5025]\n", + " PeriodicSite: Li (17.14, 10.5, 16.79) [0.8436, 0.517, 0.8268]\n", + " PeriodicSite: Li (19.65, 9.281, 8.39) [0.9676, 0.4569, 0.4131]\n", + " PeriodicSite: Li (16.55, 5.747, 18.35) [0.815, 0.2829, 0.9033]\n", + " PeriodicSite: Li (16.03, 17.37, 9.223) [0.789, 0.8553, 0.4541]\n", + " PeriodicSite: Li (15.58, 13.67, 18.29) [0.7672, 0.6732, 0.9003]\n", + " PeriodicSite: Li (9.767, 9.815, 7.873) [0.4809, 0.4832, 0.3876]\n", + " PeriodicSite: Li (5.767, 4.701, 1.746) [0.2839, 0.2314, 0.08596]\n", + " PeriodicSite: Li (5.1, 17.37, 8.066) [0.2511, 0.8553, 0.3971]\n", + " PeriodicSite: Li (6.499, 13.26, 20.07) [0.32, 0.6528, 0.9881]\n", + " PeriodicSite: Li (15.09, 7.141, 7.954) [0.7429, 0.3516, 0.3916]\n", + " PeriodicSite: Li (19.51, 7.011, 16.97) [0.9607, 0.3452, 0.8354]\n", + " PeriodicSite: Li (16.45, 18.23, 5.098) [0.8098, 0.8977, 0.251]\n", + " PeriodicSite: Li (15.82, 18.73, 16.55) [0.7788, 0.9223, 0.8148]\n", + " PeriodicSite: Li (7.056, 5.013, 12.13) [0.3474, 0.2468, 0.597]\n", + " PeriodicSite: Li (5.208, 7.246, 18.77) [0.2564, 0.3567, 0.9239]\n", + " PeriodicSite: Li (9.402, 17.69, 6.214) [0.4629, 0.8711, 0.3059]\n", + " PeriodicSite: Li (12.33, 18.91, 0.07341) [0.6069, 0.9309, 0.003619]\n", + " PeriodicSite: Li (16.58, 8.119, 5.277) [0.8164, 0.3997, 0.2598]\n", + " PeriodicSite: Li (14.43, 7.203, 0.533) [0.7104, 0.3546, 0.02624]\n", + " PeriodicSite: Li (19.19, 17.38, 9.682) [0.9448, 0.8558, 0.4766]\n", + " PeriodicSite: Li (18.36, 0.3259, 2.087) [0.9037, 0.01603, 0.1028]\n", + " PeriodicSite: Li (4.483, 10.69, 3.353) [0.2207, 0.5262, 0.1651]\n", + " PeriodicSite: Li (10.03, 8.466, 18.45) [0.4938, 0.4168, 0.9084]\n", + " PeriodicSite: Li (7.953, 15.26, 7.038) [0.3915, 0.7515, 0.3465]\n", + " PeriodicSite: Li (5.605, 19.64, 17.23) [0.2759, 0.9667, 0.8483]\n", + " PeriodicSite: Li (19.11, 6.716, 6.016) [0.9408, 0.3306, 0.2962]\n", + " PeriodicSite: Li (17.8, 11.97, 0.7047) [0.8764, 0.5894, 0.0347]\n", + " PeriodicSite: Li (2.73, 15.52, 1.308) [0.1344, 0.7642, 0.06441]\n", + " PeriodicSite: Li (15.14, 2.099, 13.69) [0.7452, 0.1033, 0.6738]\n", + " PeriodicSite: Cl (7.792, 12.83, 12.45) [0.3836, 0.6318, 0.6131]\n", + " PeriodicSite: Cl (2.374, 12.92, 17.93) [0.1169, 0.6361, 0.8828]\n", + " PeriodicSite: Cl (12.94, 17.75, 12.85) [0.6373, 0.8737, 0.6326]\n", + " PeriodicSite: Cl (17.36, 7.691, 17.52) [0.8547, 0.3786, 0.8628]\n", + " PeriodicSite: Cl (7.48, 2.916, 2.672) [0.3683, 0.1435, 0.1316]\n", + " PeriodicSite: Cl (7.93, 7.972, 7.484) [0.3904, 0.3925, 0.3685]\n", + " PeriodicSite: Cl (12.95, 12.78, 7.655) [0.6376, 0.6293, 0.3769]\n", + " PeriodicSite: Cl (2.092, 7.383, 2.663) [0.103, 0.3635, 0.1311]\n", + " PeriodicSite: Cl (2.674, 7.66, 12.75) [0.1316, 0.3771, 0.6278]\n", + " PeriodicSite: Cl (12.7, 12.79, 17.59) [0.625, 0.6297, 0.8661]\n", + " PeriodicSite: Cl (17.68, 18.08, 17.61) [0.8702, 0.8902, 0.8669]\n", + " PeriodicSite: Cl (2.286, 2.057, 7.412) [0.1126, 0.1013, 0.3649]\n", + " PeriodicSite: Cl (12.82, 2.506, 17.59) [0.6314, 0.1234, 0.8658]\n", + " PeriodicSite: Cl (12.84, 7.573, 2.26) [0.6321, 0.3728, 0.1112]\n", + " PeriodicSite: Cl (17.88, 2.43, 12.84) [0.8804, 0.1196, 0.6323]\n", + " PeriodicSite: Cl (7.44, 18.0, 17.82) [0.3663, 0.886, 0.8775]\n", + " PeriodicSite: Cl (19.75, 0.8538, 0.08916) [0.9723, 0.04203, 0.004395]\n", + " PeriodicSite: Cl (0.4052, 19.75, 10.25) [0.01994, 0.9721, 0.5045]\n", + " PeriodicSite: Cl (19.73, 10.5, 0.117) [0.9711, 0.5168, 0.005766]\n", + " PeriodicSite: Cl (0.2675, 10.11, 10.44) [0.01317, 0.4977, 0.5142]\n", + " PeriodicSite: Cl (10.25, 20.09, 20.21) [0.5045, 0.9892, 0.9949]\n", + " PeriodicSite: Cl (9.851, 0.4084, 10.18) [0.485, 0.0201, 0.501]\n", + " PeriodicSite: Cl (10.25, 10.22, 19.89) [0.5046, 0.5029, 0.9793]\n", + " PeriodicSite: Cl (10.45, 10.12, 10.2) [0.5146, 0.4981, 0.5024]\n", + " PeriodicSite: Cl (20.09, 4.985, 5.203) [0.9892, 0.2454, 0.2561]\n", + " PeriodicSite: Cl (0.01275, 5.225, 15.22) [0.0006293, 0.2573, 0.7491]\n", + " PeriodicSite: Cl (0.7307, 15.24, 5.172) [0.03597, 0.7504, 0.2546]\n", + " PeriodicSite: Cl (20.28, 15.35, 15.15) [0.9983, 0.7555, 0.7457]\n", + " PeriodicSite: Cl (10.09, 5.188, 4.742) [0.4966, 0.2554, 0.2334]\n", + " PeriodicSite: Cl (10.14, 5.585, 14.45) [0.4993, 0.2749, 0.7116]\n", + " PeriodicSite: Cl (9.844, 15.44, 5.312) [0.4846, 0.7603, 0.2615]\n", + " PeriodicSite: Cl (10.55, 15.38, 15.11) [0.5196, 0.7571, 0.7441]\n", + " PeriodicSite: S (4.832, 0.02817, 5.12) [0.2379, 0.001385, 0.2521]\n", + " PeriodicSite: S (4.954, 0.04095, 15.21) [0.2439, 0.002015, 0.7486]\n", + " PeriodicSite: S (5.226, 10.01, 5.301) [0.2573, 0.4927, 0.261]\n", + " PeriodicSite: S (5.364, 10.25, 15.35) [0.2641, 0.5045, 0.7558]\n", + " PeriodicSite: S (14.91, 20.22, 4.671) [0.7341, 0.9957, 0.23]\n", + " PeriodicSite: S (15.25, 0.2749, 15.22) [0.7508, 0.01353, 0.7493]\n", + " PeriodicSite: S (15.55, 10.29, 5.335) [0.7655, 0.5065, 0.2626]\n", + " PeriodicSite: S (15.29, 10.43, 15.45) [0.7525, 0.5133, 0.7608]\n", + " PeriodicSite: S (4.9, 4.995, 19.79) [0.2412, 0.2459, 0.9741]\n", + " PeriodicSite: S (5.358, 4.973, 10.37) [0.2638, 0.2448, 0.5106]\n", + " PeriodicSite: S (4.893, 14.83, 0.4429) [0.2409, 0.73, 0.02181]\n", + " PeriodicSite: S (5.06, 15.04, 10.78) [0.2491, 0.7402, 0.5307]\n", + " PeriodicSite: S (14.65, 4.984, 20.3) [0.7213, 0.2454, 0.9993]\n", + " PeriodicSite: S (15.34, 5.306, 9.594) [0.7552, 0.2612, 0.4723]\n", + " PeriodicSite: S (14.9, 15.24, 20.19) [0.7335, 0.7503, 0.994]\n", + " PeriodicSite: S (15.7, 15.24, 10.34) [0.7727, 0.7501, 0.5088]\n", + " PeriodicSite: S (8.941, 4.405, 8.469) [0.4402, 0.2169, 0.4169]\n", + " PeriodicSite: S (8.755, 3.997, 18.69) [0.431, 0.1968, 0.9203]\n", + " PeriodicSite: S (9.124, 14.07, 8.988) [0.4492, 0.6927, 0.4425]\n", + " PeriodicSite: S (8.51, 14.1, 18.93) [0.4189, 0.6941, 0.932]\n", + " PeriodicSite: S (19.22, 3.633, 9.031) [0.9465, 0.1788, 0.4446]\n", + " PeriodicSite: S (19.0, 4.158, 18.94) [0.9355, 0.2047, 0.9327]\n", + " PeriodicSite: S (19.28, 13.67, 9.123) [0.9492, 0.6732, 0.4491]\n", + " PeriodicSite: S (18.78, 14.09, 19.38) [0.9244, 0.6936, 0.9541]\n", + " PeriodicSite: S (3.827, 0.7121, 1.343) [0.1884, 0.03505, 0.06614]\n", + " PeriodicSite: S (3.591, 0.9279, 11.15) [0.1768, 0.04568, 0.5489]\n", + " PeriodicSite: S (3.764, 11.34, 1.151) [0.1853, 0.5582, 0.05665]\n", + " PeriodicSite: S (4.13, 10.9, 11.56) [0.2033, 0.5365, 0.5692]\n", + " PeriodicSite: S (13.99, 1.124, 1.084) [0.6886, 0.05531, 0.05336]\n", + " PeriodicSite: S (14.25, 1.321, 11.65) [0.7016, 0.06503, 0.5733]\n", + " PeriodicSite: S (14.3, 12.02, 1.345) [0.7042, 0.5918, 0.0662]\n", + " PeriodicSite: S (13.84, 11.2, 11.54) [0.6812, 0.5515, 0.5681]\n", + " PeriodicSite: S (6.311, 0.9116, 8.842) [0.3107, 0.04488, 0.4353]\n", + " PeriodicSite: S (6.192, 1.159, 19.0) [0.3048, 0.05703, 0.9352]\n", + " PeriodicSite: S (6.431, 11.33, 9.234) [0.3166, 0.5578, 0.4546]\n", + " PeriodicSite: S (5.961, 11.25, 19.01) [0.2935, 0.5538, 0.9359]\n", + " PeriodicSite: S (16.58, 1.214, 9.366) [0.816, 0.05974, 0.4611]\n", + " PeriodicSite: S (16.49, 1.522, 19.09) [0.8119, 0.07494, 0.94]\n", + " PeriodicSite: S (16.43, 11.07, 9.244) [0.8087, 0.545, 0.4551]\n", + " PeriodicSite: S (16.07, 11.45, 19.05) [0.7914, 0.5635, 0.9377]\n", + " PeriodicSite: S (0.9755, 3.991, 1.128) [0.04802, 0.1965, 0.05552]\n", + " PeriodicSite: S (1.26, 3.532, 11.38) [0.06202, 0.1739, 0.5605]\n", + " PeriodicSite: S (0.7832, 13.95, 1.844) [0.03855, 0.6866, 0.09078]\n", + " PeriodicSite: S (1.463, 13.78, 11.48) [0.07202, 0.6783, 0.5651]\n", + " PeriodicSite: S (10.76, 3.621, 0.8439) [0.5296, 0.1783, 0.04155]\n", + " PeriodicSite: S (11.25, 4.211, 10.82) [0.5537, 0.2073, 0.5326]\n", + " PeriodicSite: S (11.09, 13.93, 0.7212) [0.5461, 0.686, 0.03551]\n", + " PeriodicSite: S (11.31, 13.88, 11.42) [0.5566, 0.6836, 0.5624]\n", + " PeriodicSite: S (2.242, 2.534, 17.71) [0.1104, 0.1248, 0.8721]\n", + " PeriodicSite: S (2.973, 12.21, 7.648) [0.1464, 0.6011, 0.3765]\n", + " PeriodicSite: S (12.93, 2.609, 7.518) [0.6366, 0.1284, 0.3701]\n", + " PeriodicSite: S (9.11, 8.721, 3.85) [0.4485, 0.4293, 0.1895]\n", + " PeriodicSite: S (8.839, 9.285, 14.3) [0.4351, 0.4571, 0.704]\n", + " PeriodicSite: S (8.981, 19.13, 4.082) [0.4422, 0.9416, 0.201]\n", + " PeriodicSite: S (8.97, 19.69, 14.03) [0.4416, 0.9693, 0.6906]\n", + " PeriodicSite: S (19.2, 8.822, 4.039) [0.9452, 0.4343, 0.1989]\n", + " PeriodicSite: S (19.58, 9.137, 13.93) [0.9639, 0.4498, 0.6856]\n", + " PeriodicSite: S (19.17, 19.1, 3.868) [0.9439, 0.9402, 0.1905]\n", + " PeriodicSite: S (19.23, 18.92, 14.14) [0.9466, 0.9313, 0.6962]\n", + " PeriodicSite: S (3.434, 6.101, 5.877) [0.169, 0.3004, 0.2893]\n", + " PeriodicSite: S (3.876, 6.403, 16.26) [0.1908, 0.3152, 0.8003]\n", + " PeriodicSite: S (3.968, 16.01, 6.482) [0.1953, 0.7882, 0.3191]\n", + " PeriodicSite: S (4.246, 16.86, 16.56) [0.209, 0.8303, 0.8152]\n", + " PeriodicSite: S (13.86, 6.221, 5.832) [0.6822, 0.3063, 0.2871]\n", + " PeriodicSite: S (13.66, 6.325, 16.34) [0.6723, 0.3114, 0.8042]\n", + " PeriodicSite: S (14.3, 16.5, 6.519) [0.7038, 0.8121, 0.3209]\n", + " PeriodicSite: S (14.35, 16.54, 16.62) [0.7063, 0.8141, 0.8182]\n", + " PeriodicSite: S (6.09, 6.242, 3.862) [0.2998, 0.3073, 0.1901]\n", + " PeriodicSite: S (6.209, 6.325, 14.01) [0.3057, 0.3114, 0.6898]\n", + " PeriodicSite: S (6.571, 16.28, 4.139) [0.3235, 0.8017, 0.2038]\n", + " PeriodicSite: S (6.409, 16.31, 14.18) [0.3155, 0.8029, 0.698]\n", + " PeriodicSite: S (16.19, 6.311, 3.648) [0.7969, 0.3107, 0.1796]\n", + " PeriodicSite: S (16.02, 6.342, 14.03) [0.7888, 0.3122, 0.6905]\n", + " PeriodicSite: S (16.3, 16.1, 3.87) [0.8023, 0.7925, 0.1905]\n", + " PeriodicSite: S (16.88, 16.68, 14.45) [0.8308, 0.8212, 0.7116]\n", + " PeriodicSite: S (0.6316, 8.245, 6.677) [0.03109, 0.4059, 0.3287]\n", + " PeriodicSite: S (1.302, 8.577, 16.45) [0.06408, 0.4222, 0.8098]\n", + " PeriodicSite: S (1.113, 19.11, 6.308) [0.05479, 0.9408, 0.3106]\n", + " PeriodicSite: S (1.091, 18.93, 16.7) [0.05372, 0.932, 0.8219]\n", + " PeriodicSite: S (11.54, 8.924, 6.042) [0.5682, 0.4393, 0.2974]\n", + " PeriodicSite: S (11.46, 9.033, 16.52) [0.5642, 0.4447, 0.8135]\n", + " PeriodicSite: S (11.39, 19.37, 6.153) [0.561, 0.9536, 0.3029]\n", + " PeriodicSite: S (11.34, 19.59, 15.98) [0.5583, 0.9643, 0.7866]\n", + " PeriodicSite: S (2.97, 17.68, 2.892) [0.1462, 0.8705, 0.1424]\n", + " PeriodicSite: S (2.592, 17.77, 13.02) [0.1276, 0.875, 0.6409]\n", + " PeriodicSite: S (12.48, 7.78, 12.69) [0.6145, 0.383, 0.6249]\n", + " PeriodicSite: S (12.64, 17.93, 2.09) [0.6221, 0.8825, 0.1029]\n", + " PeriodicSite: S (3.737, 3.81, 3.199) [0.184, 0.1875, 0.1575]\n", + " PeriodicSite: S (3.837, 3.844, 14.04) [0.1889, 0.1892, 0.6912]\n", + " PeriodicSite: S (3.893, 13.98, 3.997) [0.1916, 0.6881, 0.1968]\n", + " PeriodicSite: S (3.498, 14.51, 14.34) [0.1722, 0.7141, 0.7061]\n", + " PeriodicSite: S (13.75, 3.662, 3.903) [0.6768, 0.1803, 0.1922]\n", + " PeriodicSite: S (13.67, 3.833, 14.18) [0.6729, 0.1887, 0.698]\n", + " PeriodicSite: S (13.71, 14.16, 4.232) [0.675, 0.6972, 0.2083]\n", + " PeriodicSite: S (14.53, 14.15, 14.1) [0.7151, 0.6966, 0.6942]\n", + " PeriodicSite: S (8.981, 1.398, 6.323) [0.4421, 0.06882, 0.3113]\n", + " PeriodicSite: S (9.372, 2.046, 16.13) [0.4614, 0.1007, 0.7939]\n", + " PeriodicSite: S (9.268, 11.4, 5.746) [0.4563, 0.5614, 0.2829]\n", + " PeriodicSite: S (9.009, 11.65, 16.81) [0.4435, 0.5736, 0.8273]\n", + " PeriodicSite: S (18.87, 1.185, 6.206) [0.9291, 0.05835, 0.3055]\n", + " PeriodicSite: S (19.03, 1.15, 16.45) [0.9368, 0.0566, 0.8099]\n", + " PeriodicSite: S (19.19, 11.12, 6.845) [0.945, 0.5473, 0.337]\n", + " PeriodicSite: S (19.31, 11.54, 16.15) [0.9507, 0.5683, 0.7953]\n", + " PeriodicSite: S (1.219, 1.23, 4.062) [0.06002, 0.06056, 0.2]\n", + " PeriodicSite: S (1.081, 0.9383, 14.24) [0.05323, 0.04619, 0.7011]\n", + " PeriodicSite: S (1.285, 10.96, 4.448) [0.06328, 0.5398, 0.219]\n", + " PeriodicSite: S (1.763, 11.46, 14.5) [0.08679, 0.564, 0.7137]\n", + " PeriodicSite: S (11.22, 1.243, 3.767) [0.5522, 0.06119, 0.1855]\n", + " PeriodicSite: S (11.26, 1.658, 13.53) [0.5545, 0.08164, 0.6663]\n", + " PeriodicSite: S (11.57, 10.8, 3.307) [0.5697, 0.5318, 0.1628]\n", + " PeriodicSite: S (11.27, 11.6, 14.35) [0.5547, 0.5712, 0.7065]\n", + " PeriodicSite: S (5.587, 3.76, 6.179) [0.275, 0.1851, 0.3042]\n", + " PeriodicSite: S (6.13, 3.875, 16.28) [0.3018, 0.1908, 0.8014]\n", + " PeriodicSite: S (6.317, 13.69, 6.208) [0.311, 0.674, 0.3056]\n", + " PeriodicSite: S (5.918, 14.07, 16.67) [0.2914, 0.6925, 0.8208]\n", + " PeriodicSite: S (16.64, 3.729, 5.784) [0.819, 0.1836, 0.2847]\n", + " PeriodicSite: S (16.51, 4.055, 16.14) [0.8127, 0.1996, 0.7947]\n", + " PeriodicSite: S (16.41, 13.95, 6.549) [0.8081, 0.6867, 0.3224]\n", + " PeriodicSite: S (16.8, 14.18, 16.52) [0.827, 0.6983, 0.8131]\n", + " PeriodicSite: S (7.49, 2.93, 12.47) [0.3688, 0.1442, 0.6138]\n", + " PeriodicSite: S (7.587, 12.46, 2.507) [0.3735, 0.6135, 0.1234]\n", + " PeriodicSite: S (17.75, 2.448, 2.561) [0.8737, 0.1205, 0.1261]\n", + " PeriodicSite: S (18.04, 12.53, 3.012) [0.8881, 0.6167, 0.1483]\n", + " PeriodicSite: S (17.78, 12.54, 12.95) [0.8753, 0.6173, 0.6374]\n", + " PeriodicSite: S (4.569, 8.71, 8.886) [0.2249, 0.4288, 0.4375]\n", + " PeriodicSite: S (3.633, 8.92, 19.41) [0.1789, 0.4391, 0.9556]\n", + " PeriodicSite: S (3.787, 18.97, 9.063) [0.1864, 0.9339, 0.4462]\n", + " PeriodicSite: S (4.04, 18.74, 19.23) [0.1989, 0.9227, 0.9466]\n", + " PeriodicSite: S (13.78, 9.092, 8.856) [0.6782, 0.4476, 0.436]\n", + " PeriodicSite: S (13.54, 9.381, 19.58) [0.6666, 0.4618, 0.9639]\n", + " PeriodicSite: S (14.15, 19.27, 9.407) [0.6967, 0.9487, 0.4631]\n", + " PeriodicSite: S (14.27, 19.35, 18.63) [0.7025, 0.9528, 0.9172]\n", + " PeriodicSite: S (8.379, 6.13, 0.9664) [0.4125, 0.3018, 0.04758]\n", + " PeriodicSite: S (8.992, 6.732, 10.96) [0.4427, 0.3314, 0.5397]\n", + " PeriodicSite: S (8.77, 16.33, 0.9394) [0.4317, 0.8038, 0.04625]\n", + " PeriodicSite: S (9.101, 16.23, 11.63) [0.4481, 0.7993, 0.5725]\n", + " PeriodicSite: S (18.88, 6.359, 1.007) [0.9293, 0.313, 0.0496]\n", + " PeriodicSite: S (18.93, 5.759, 11.64) [0.9318, 0.2835, 0.5732]\n", + " PeriodicSite: S (18.68, 16.19, 1.648) [0.9196, 0.797, 0.08114]\n", + " PeriodicSite: S (19.27, 15.83, 11.79) [0.9487, 0.7794, 0.5805]\n", + " PeriodicSite: S (1.134, 6.158, 9.388) [0.0558, 0.3032, 0.4622]\n", + " PeriodicSite: S (0.9508, 6.539, 18.9) [0.04681, 0.3219, 0.9303]\n", + " PeriodicSite: S (1.083, 16.13, 9.157) [0.05331, 0.7941, 0.4508]\n", + " PeriodicSite: S (1.226, 16.26, 19.99) [0.06035, 0.8006, 0.984]\n", + " PeriodicSite: S (11.27, 6.513, 8.286) [0.5547, 0.3206, 0.4079]\n", + " PeriodicSite: S (11.05, 6.403, 19.24) [0.5442, 0.3152, 0.947]\n", + " PeriodicSite: S (11.47, 16.59, 9.476) [0.5646, 0.8167, 0.4665]\n", + " PeriodicSite: S (11.11, 16.37, 19.0) [0.5472, 0.8058, 0.9355]\n", + " PeriodicSite: S (6.072, 9.175, 1.497) [0.2989, 0.4517, 0.07372]\n", + " PeriodicSite: S (6.413, 8.692, 11.6) [0.3157, 0.4279, 0.5712]\n", + " PeriodicSite: S (6.542, 19.22, 1.069) [0.3221, 0.946, 0.05261]\n", + " PeriodicSite: S (6.115, 19.07, 11.52) [0.301, 0.9388, 0.567]\n", + " PeriodicSite: S (16.22, 9.093, 1.171) [0.7986, 0.4476, 0.05767]\n", + " PeriodicSite: S (16.02, 8.734, 11.5) [0.7885, 0.43, 0.5662]\n", + " PeriodicSite: S (16.43, 19.09, 0.8651) [0.809, 0.9397, 0.0426]\n", + " PeriodicSite: S (16.8, 19.25, 11.38) [0.827, 0.9476, 0.5602]\n", + " PeriodicSite: S (7.273, 7.895, 17.87) [0.3581, 0.3887, 0.8797]\n", + " PeriodicSite: S (7.513, 17.48, 7.72) [0.3699, 0.8603, 0.3801]\n", + " PeriodicSite: S (17.4, 7.325, 7.29) [0.8566, 0.3606, 0.3589]\n", + " PeriodicSite: S (17.91, 17.63, 7.748) [0.8818, 0.8679, 0.3815]\n", + " PeriodicSite: P (5.203, 20.21, 20.25) [0.2561, 0.9949, 0.9968]\n", + " PeriodicSite: P (5.021, 20.12, 10.03) [0.2472, 0.9904, 0.494]\n", + " PeriodicSite: P (4.919, 10.14, 0.09384) [0.2422, 0.4994, 0.004622]\n", + " PeriodicSite: P (5.395, 9.928, 10.35) [0.2656, 0.4888, 0.5094]\n", + " PeriodicSite: P (15.36, 0.1275, 20.13) [0.7561, 0.006269, 0.991]\n", + " PeriodicSite: P (15.4, 0.1051, 10.45) [0.7584, 0.005166, 0.5145]\n", + " PeriodicSite: P (15.01, 10.48, 0.2177) [0.7389, 0.5161, 0.01072]\n", + " PeriodicSite: P (15.0, 10.06, 10.27) [0.7385, 0.4951, 0.5058]\n", + " PeriodicSite: P (4.721, 4.984, 4.764) [0.2324, 0.2454, 0.2345]\n", + " PeriodicSite: P (5.036, 5.109, 15.1) [0.2479, 0.2515, 0.7432]\n", + " PeriodicSite: P (5.225, 15.01, 5.143) [0.2572, 0.7389, 0.2532]\n", + " PeriodicSite: P (5.041, 15.39, 15.38) [0.2482, 0.7575, 0.7571]\n", + " PeriodicSite: P (15.09, 4.936, 4.822) [0.7427, 0.243, 0.2374]\n", + " PeriodicSite: P (14.94, 5.133, 15.22) [0.7355, 0.2527, 0.7494]\n", + " PeriodicSite: P (15.22, 15.07, 5.368) [0.7492, 0.7422, 0.2643]\n", + " PeriodicSite: P (15.5, 15.4, 15.36) [0.7629, 0.7581, 0.7563]\n", + " PeriodicSite: P (0.06382, 20.26, 5.124) [0.003134, 0.9973, 0.2522]\n", + " PeriodicSite: P (20.17, 20.14, 15.46) [0.993, 0.9916, 0.7609]\n", + " PeriodicSite: P (20.28, 9.806, 5.424) [0.9984, 0.4827, 0.267]\n", + " PeriodicSite: P (0.3625, 10.04, 15.3) [0.01785, 0.4941, 0.753]\n", + " PeriodicSite: P (10.14, 0.1531, 5.135) [0.4992, 0.007531, 0.2528]\n", + " PeriodicSite: P (10.24, 0.628, 14.98) [0.5041, 0.03091, 0.7377]\n", + " PeriodicSite: P (10.45, 9.967, 4.746) [0.5146, 0.4907, 0.2336]\n", + " PeriodicSite: P (10.15, 10.46, 15.6) [0.4998, 0.5149, 0.7682]\n", + " PeriodicSite: P (20.23, 5.276, 20.14) [0.9959, 0.2597, 0.9915]\n", + " PeriodicSite: P (20.29, 4.821, 10.36) [0.9991, 0.2374, 0.51]\n", + " PeriodicSite: P (20.05, 15.07, 0.523) [0.9869, 0.7419, 0.02575]\n", + " PeriodicSite: P (0.09824, 14.82, 10.44) [0.004833, 0.7295, 0.5142]\n", + " PeriodicSite: P (9.776, 5.114, 20.16) [0.4813, 0.2518, 0.9927]\n", + " PeriodicSite: P (10.08, 5.411, 9.719) [0.496, 0.2664, 0.4785]\n", + " PeriodicSite: P (9.854, 15.25, 20.08) [0.4851, 0.7507, 0.9883]\n", + " PeriodicSite: P (10.24, 15.25, 10.24) [0.5043, 0.7506, 0.5039],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.724, 6.366, 4.508) [0.08486, 0.3134, 0.2219]\n", + " PeriodicSite: Li (0.5113, 3.514, 13.58) [0.02518, 0.173, 0.6688]\n", + " PeriodicSite: Li (0.3532, 12.06, 7.656) [0.01738, 0.5937, 0.3769]\n", + " PeriodicSite: Li (1.564, 13.27, 15.61) [0.07702, 0.6535, 0.7687]\n", + " PeriodicSite: Li (14.5, 0.3977, 7.448) [0.7139, 0.01957, 0.3667]\n", + " PeriodicSite: Li (11.97, 3.074, 15.39) [0.5893, 0.1513, 0.7578]\n", + " PeriodicSite: Li (13.84, 11.5, 4.192) [0.6811, 0.5659, 0.2064]\n", + " PeriodicSite: Li (15.87, 7.979, 15.71) [0.7814, 0.3928, 0.7734]\n", + " PeriodicSite: Li (3.805, 4.645, 8.129) [0.1873, 0.2287, 0.4002]\n", + " PeriodicSite: Li (2.024, 2.016, 19.91) [0.09964, 0.09926, 0.9801]\n", + " PeriodicSite: Li (4.383, 7.935, 3.933) [0.2158, 0.3907, 0.1936]\n", + " PeriodicSite: Li (6.743, 9.982, 17.46) [0.332, 0.4914, 0.8597]\n", + " PeriodicSite: Li (12.07, 4.304, 6.444) [0.5941, 0.2119, 0.3172]\n", + " PeriodicSite: Li (13.29, 0.2555, 16.73) [0.6542, 0.01257, 0.8237]\n", + " PeriodicSite: Li (10.98, 9.42, 12.3) [0.5404, 0.4637, 0.6053]\n", + " PeriodicSite: Li (9.317, 18.27, 19.53) [0.4587, 0.8993, 0.9616]\n", + " PeriodicSite: Li (6.289, 1.296, 6.096) [0.3096, 0.06378, 0.3001]\n", + " PeriodicSite: Li (3.568, 20.2, 13.07) [0.1756, 0.9947, 0.6433]\n", + " PeriodicSite: Li (2.833, 9.948, 6.281) [0.1395, 0.4897, 0.3092]\n", + " PeriodicSite: Li (6.95, 10.06, 13.65) [0.3421, 0.4955, 0.672]\n", + " PeriodicSite: Li (12.73, 0.9317, 9.518) [0.6267, 0.04586, 0.4686]\n", + " PeriodicSite: Li (10.7, 1.771, 18.74) [0.5268, 0.08721, 0.9227]\n", + " PeriodicSite: Li (14.17, 14.52, 8.054) [0.6976, 0.7146, 0.3965]\n", + " PeriodicSite: Li (11.86, 10.15, 1.349) [0.5838, 0.4998, 0.06643]\n", + " PeriodicSite: Li (0.04557, 3.286, 6.797) [0.002244, 0.1618, 0.3346]\n", + " PeriodicSite: Li (0.2205, 3.015, 17.34) [0.01086, 0.1484, 0.8539]\n", + " PeriodicSite: Li (1.899, 14.03, 5.46) [0.09348, 0.6909, 0.2688]\n", + " PeriodicSite: Li (3.67, 15.36, 18.6) [0.1807, 0.756, 0.9158]\n", + " PeriodicSite: Li (13.19, 1.643, 5.1) [0.6492, 0.08087, 0.2511]\n", + " PeriodicSite: Li (15.64, 1.797, 16.87) [0.77, 0.08846, 0.8307]\n", + " PeriodicSite: Li (12.4, 11.52, 9.684) [0.6105, 0.5671, 0.4767]\n", + " PeriodicSite: Li (15.05, 17.05, 18.72) [0.741, 0.8393, 0.9216]\n", + " PeriodicSite: Li (5.736, 2.046, 3.628) [0.2824, 0.1007, 0.1786]\n", + " PeriodicSite: Li (0.4367, 17.26, 3.222) [0.02149, 0.85, 0.1586]\n", + " PeriodicSite: Li (2.751, 14.17, 9.127) [0.1354, 0.6977, 0.4493]\n", + " PeriodicSite: Li (2.215, 16.39, 15.1) [0.109, 0.8068, 0.7432]\n", + " PeriodicSite: Li (14.86, 2.804, 8.747) [0.7314, 0.138, 0.4306]\n", + " PeriodicSite: Li (13.59, 5.551, 18.77) [0.6692, 0.2733, 0.9239]\n", + " PeriodicSite: Li (17.1, 15.14, 8.404) [0.8416, 0.7454, 0.4137]\n", + " PeriodicSite: Li (10.15, 12.14, 18.62) [0.4998, 0.5975, 0.9167]\n", + " PeriodicSite: Li (3.129, 2.103, 5.305) [0.1541, 0.1035, 0.2612]\n", + " PeriodicSite: Li (2.758, 0.2034, 17.56) [0.1358, 0.01001, 0.8645]\n", + " PeriodicSite: Li (4.845, 11.9, 6.527) [0.2385, 0.5859, 0.3213]\n", + " PeriodicSite: Li (18.56, 14.69, 3.415) [0.9138, 0.7232, 0.1681]\n", + " PeriodicSite: Li (10.51, 2.219, 7.653) [0.5176, 0.1092, 0.3768]\n", + " PeriodicSite: Li (17.53, 0.7661, 14.75) [0.8632, 0.03771, 0.7259]\n", + " PeriodicSite: Li (14.5, 11.14, 7.01) [0.714, 0.5487, 0.3451]\n", + " PeriodicSite: Li (13.52, 10.18, 17.17) [0.6656, 0.5011, 0.8454]\n", + " PeriodicSite: Li (4.408, 12.36, 16.04) [0.217, 0.6083, 0.7898]\n", + " PeriodicSite: Li (2.029, 11.12, 9.73) [0.09987, 0.5475, 0.479]\n", + " PeriodicSite: Li (2.462, 16.96, 4.975) [0.1212, 0.8351, 0.2449]\n", + " PeriodicSite: Li (1.848, 1.698, 9.896) [0.091, 0.08359, 0.4872]\n", + " PeriodicSite: Li (13.32, 5.463, 1.894) [0.6557, 0.269, 0.09326]\n", + " PeriodicSite: Li (12.01, 7.354, 14.9) [0.5913, 0.362, 0.7334]\n", + " PeriodicSite: Li (10.94, 13.79, 6.942) [0.5385, 0.6789, 0.3418]\n", + " PeriodicSite: Li (13.54, 0.2038, 13.37) [0.6668, 0.01003, 0.6583]\n", + " PeriodicSite: Li (3.003, 5.344, 1.185) [0.1478, 0.2631, 0.05833]\n", + " PeriodicSite: Li (2.763, 5.751, 10.96) [0.136, 0.2831, 0.5393]\n", + " PeriodicSite: Li (6.491, 17.22, 20.08) [0.3196, 0.8478, 0.9885]\n", + " PeriodicSite: Li (3.292, 18.85, 15.28) [0.162, 0.928, 0.7524]\n", + " PeriodicSite: Li (14.51, 3.095, 19.9) [0.7145, 0.1523, 0.9799]\n", + " PeriodicSite: Li (10.74, 6.248, 12.6) [0.5286, 0.3076, 0.6202]\n", + " PeriodicSite: Li (12.32, 16.1, 4.576) [0.6064, 0.7924, 0.2253]\n", + " PeriodicSite: Li (12.57, 17.2, 14.81) [0.6191, 0.847, 0.7289]\n", + " PeriodicSite: Li (3.418, 9.716, 17.11) [0.1683, 0.4783, 0.8425]\n", + " PeriodicSite: Li (4.85, 7.339, 12.05) [0.2388, 0.3613, 0.5932]\n", + " PeriodicSite: Li (5.134, 17.01, 2.2) [0.2527, 0.8373, 0.1083]\n", + " PeriodicSite: Li (2.445, 17.6, 10.5) [0.1204, 0.8667, 0.5171]\n", + " PeriodicSite: Li (10.42, 6.477, 3.017) [0.5132, 0.3189, 0.1485]\n", + " PeriodicSite: Li (14.53, 6.502, 11.94) [0.7155, 0.3201, 0.5877]\n", + " PeriodicSite: Li (10.68, 19.28, 2.426) [0.5256, 0.949, 0.1195]\n", + " PeriodicSite: Li (13.07, 15.33, 11.19) [0.6434, 0.7545, 0.5509]\n", + " PeriodicSite: Li (0.527, 7.972, 0.805) [0.02594, 0.3925, 0.03963]\n", + " PeriodicSite: Li (17.43, 5.347, 8.069) [0.858, 0.2632, 0.3973]\n", + " PeriodicSite: Li (2.479, 19.66, 3.879) [0.122, 0.9679, 0.191]\n", + " PeriodicSite: Li (0.5833, 19.12, 12.2) [0.02871, 0.9411, 0.6004]\n", + " PeriodicSite: Li (9.852, 7.053, 6.393) [0.485, 0.3472, 0.3147]\n", + " PeriodicSite: Li (13.38, 12.13, 14.9) [0.6587, 0.5971, 0.7337]\n", + " PeriodicSite: Li (14.86, 16.58, 2.245) [0.7314, 0.8164, 0.1105]\n", + " PeriodicSite: Li (12.53, 14.68, 16.96) [0.617, 0.7227, 0.8349]\n", + " PeriodicSite: Li (7.111, 8.742, 4.742) [0.3501, 0.4304, 0.2335]\n", + " PeriodicSite: Li (19.99, 12.31, 12.65) [0.9841, 0.6062, 0.6226]\n", + " PeriodicSite: Li (19.72, 17.0, 6.867) [0.9706, 0.8367, 0.3381]\n", + " PeriodicSite: Li (6.67, 18.78, 14.28) [0.3284, 0.9248, 0.7029]\n", + " PeriodicSite: Li (16.7, 10.58, 3.101) [0.822, 0.5208, 0.1527]\n", + " PeriodicSite: Li (11.68, 7.984, 10.16) [0.5751, 0.3931, 0.5001]\n", + " PeriodicSite: Li (12.58, 16.0, 0.6082) [0.6193, 0.7877, 0.02995]\n", + " PeriodicSite: Li (10.77, 18.1, 10.59) [0.5301, 0.891, 0.5212]\n", + " PeriodicSite: Li (4.697, 2.699, 18.62) [0.2313, 0.1329, 0.9167]\n", + " PeriodicSite: Li (3.602, 9.963, 13.54) [0.1774, 0.4905, 0.6664]\n", + " PeriodicSite: Li (4.456, 19.54, 2.833) [0.2194, 0.962, 0.1395]\n", + " PeriodicSite: Li (0.9519, 15.87, 12.74) [0.04686, 0.7811, 0.6274]\n", + " PeriodicSite: Li (13.43, 8.426, 4.645) [0.6614, 0.4148, 0.2287]\n", + " PeriodicSite: Li (14.1, 9.369, 13.33) [0.694, 0.4612, 0.6561]\n", + " PeriodicSite: Li (13.39, 18.47, 4.94) [0.6594, 0.9094, 0.2432]\n", + " PeriodicSite: Li (17.85, 4.994, 13.77) [0.8788, 0.2459, 0.678]\n", + " PeriodicSite: Li (9.72, 2.904, 2.963) [0.4785, 0.1429, 0.1459]\n", + " PeriodicSite: Li (10.04, 2.424, 11.88) [0.4944, 0.1193, 0.585]\n", + " PeriodicSite: Li (7.544, 11.89, 4.808) [0.3714, 0.5854, 0.2367]\n", + " PeriodicSite: Li (7.217, 12.81, 15.28) [0.3553, 0.6308, 0.7524]\n", + " PeriodicSite: Li (17.93, 4.33, 4.614) [0.883, 0.2132, 0.2271]\n", + " PeriodicSite: Li (13.15, 4.806, 9.37) [0.6474, 0.2366, 0.4613]\n", + " PeriodicSite: Li (19.99, 11.8, 2.601) [0.9839, 0.5807, 0.1281]\n", + " PeriodicSite: Li (16.81, 10.29, 13.23) [0.8273, 0.5065, 0.6515]\n", + " PeriodicSite: Li (6.523, 18.44, 5.635) [0.3211, 0.9077, 0.2774]\n", + " PeriodicSite: Li (8.688, 3.36, 14.58) [0.4277, 0.1654, 0.7179]\n", + " PeriodicSite: Li (2.827, 13.14, 20.04) [0.1392, 0.6467, 0.9865]\n", + " PeriodicSite: Li (10.19, 13.58, 13.55) [0.5014, 0.6685, 0.6669]\n", + " PeriodicSite: Li (14.15, 19.65, 2.766) [0.6964, 0.9673, 0.1362]\n", + " PeriodicSite: Li (18.37, 0.6967, 10.97) [0.9044, 0.03429, 0.5402]\n", + " PeriodicSite: Li (17.46, 15.49, 20.28) [0.8594, 0.7625, 0.9983]\n", + " PeriodicSite: Li (16.74, 15.32, 11.99) [0.8241, 0.7542, 0.5903]\n", + " PeriodicSite: Li (7.668, 4.597, 4.268) [0.3775, 0.2263, 0.2101]\n", + " PeriodicSite: Li (8.092, 0.2094, 11.35) [0.3984, 0.01031, 0.5587]\n", + " PeriodicSite: Li (9.961, 12.74, 2.522) [0.4904, 0.6272, 0.1242]\n", + " PeriodicSite: Li (3.677, 13.84, 11.72) [0.181, 0.6815, 0.577]\n", + " PeriodicSite: Li (19.8, 2.379, 2.497) [0.975, 0.1171, 0.123]\n", + " PeriodicSite: Li (0.1662, 8.206, 11.5) [0.00818, 0.404, 0.5663]\n", + " PeriodicSite: Li (15.59, 13.52, 2.163) [0.7676, 0.6657, 0.1065]\n", + " PeriodicSite: Li (16.09, 12.4, 14.43) [0.792, 0.6103, 0.7102]\n", + " PeriodicSite: Li (3.364, 19.83, 6.789) [0.1656, 0.9763, 0.3342]\n", + " PeriodicSite: Li (6.33, 1.863, 14.28) [0.3116, 0.09174, 0.703]\n", + " PeriodicSite: Li (4.958, 13.5, 1.724) [0.2441, 0.6648, 0.08486]\n", + " PeriodicSite: Li (8.628, 7.124, 15.7) [0.4247, 0.3507, 0.7729]\n", + " PeriodicSite: Li (16.93, 4.918, 1.43) [0.8336, 0.2421, 0.0704]\n", + " PeriodicSite: Li (15.43, 18.66, 13.54) [0.7597, 0.9187, 0.6668]\n", + " PeriodicSite: Li (13.2, 13.51, 0.2765) [0.65, 0.6653, 0.01362]\n", + " PeriodicSite: Li (18.28, 11.73, 10.71) [0.8998, 0.5772, 0.5273]\n", + " PeriodicSite: Li (7.703, 8.001, 19.96) [0.3792, 0.3939, 0.9829]\n", + " PeriodicSite: Li (5.02, 3.756, 12.04) [0.2471, 0.1849, 0.5929]\n", + " PeriodicSite: Li (8.012, 10.52, 1.84) [0.3944, 0.5177, 0.09059]\n", + " PeriodicSite: Li (9.198, 12.01, 10.53) [0.4528, 0.5914, 0.5186]\n", + " PeriodicSite: Li (15.24, 2.024, 2.588) [0.7501, 0.09962, 0.1274]\n", + " PeriodicSite: Li (16.88, 3.583, 11.15) [0.8312, 0.1764, 0.549]\n", + " PeriodicSite: Li (0.4886, 11.97, 18.8) [0.02405, 0.5892, 0.9254]\n", + " PeriodicSite: Li (18.55, 14.87, 13.86) [0.9134, 0.7319, 0.6824]\n", + " PeriodicSite: Li (7.764, 2.357, 0.1746) [0.3822, 0.116, 0.008599]\n", + " PeriodicSite: Li (6.62, 3.175, 9.396) [0.3259, 0.1563, 0.4626]\n", + " PeriodicSite: Li (7.85, 14.93, 2.789) [0.3864, 0.735, 0.1373]\n", + " PeriodicSite: Li (4.814, 16.64, 12.1) [0.237, 0.8191, 0.5956]\n", + " PeriodicSite: Li (18.3, 2.249, 0.2604) [0.9009, 0.1107, 0.01283]\n", + " PeriodicSite: Li (2.176, 7.164, 14.86) [0.1071, 0.3527, 0.7317]\n", + " PeriodicSite: Li (5.547, 13.05, 8.648) [0.2731, 0.6426, 0.4258]\n", + " PeriodicSite: Li (15.86, 12.98, 11.01) [0.781, 0.6392, 0.5423]\n", + " PeriodicSite: Li (17.13, 12.19, 5.098) [0.8432, 0.6001, 0.251]\n", + " PeriodicSite: Li (5.78, 7.913, 15.85) [0.2846, 0.3896, 0.7805]\n", + " PeriodicSite: Li (6.82, 14.29, 12.21) [0.3357, 0.7034, 0.6013]\n", + " PeriodicSite: Li (2.707, 18.23, 0.3285) [0.1333, 0.8976, 0.01617]\n", + " PeriodicSite: Li (16.84, 9.911, 7.221) [0.8291, 0.4879, 0.3555]\n", + " PeriodicSite: Li (2.707, 5.015, 18.18) [0.1333, 0.2469, 0.895]\n", + " PeriodicSite: Li (17.22, 1.638, 4.918) [0.8477, 0.08064, 0.2421]\n", + " PeriodicSite: Li (18.88, 20.07, 18.75) [0.9294, 0.9879, 0.923]\n", + " PeriodicSite: Li (6.053, 9.219, 7.374) [0.298, 0.4539, 0.363]\n", + " PeriodicSite: Li (6.765, 4.862, 18.17) [0.333, 0.2394, 0.8944]\n", + " PeriodicSite: Li (8.347, 19.77, 8.442) [0.4109, 0.9733, 0.4156]\n", + " PeriodicSite: Li (8.894, 15.84, 16.98) [0.4378, 0.7797, 0.8358]\n", + " PeriodicSite: Li (17.53, 6.879, 10.24) [0.863, 0.3386, 0.5042]\n", + " PeriodicSite: Li (17.98, 8.927, 19.86) [0.885, 0.4395, 0.9776]\n", + " PeriodicSite: Li (18.0, 19.86, 8.274) [0.8863, 0.9775, 0.4073]\n", + " PeriodicSite: Li (19.25, 17.26, 16.59) [0.9475, 0.8498, 0.8169]\n", + " PeriodicSite: Li (6.509, 6.799, 9.321) [0.3204, 0.3347, 0.4589]\n", + " PeriodicSite: Li (3.286, 1.895, 15.5) [0.1618, 0.09331, 0.7632]\n", + " PeriodicSite: Li (7.308, 16.71, 9.992) [0.3598, 0.8228, 0.4919]\n", + " PeriodicSite: Li (17.28, 10.17, 16.94) [0.8507, 0.5008, 0.834]\n", + " PeriodicSite: Li (19.53, 8.519, 8.341) [0.9614, 0.4194, 0.4106]\n", + " PeriodicSite: Li (16.99, 5.145, 18.05) [0.8365, 0.2533, 0.8887]\n", + " PeriodicSite: Li (15.82, 17.57, 9.589) [0.7789, 0.8651, 0.4721]\n", + " PeriodicSite: Li (15.18, 13.46, 18.85) [0.7472, 0.6625, 0.9278]\n", + " PeriodicSite: Li (9.134, 9.818, 8.033) [0.4497, 0.4834, 0.3955]\n", + " PeriodicSite: Li (6.362, 5.306, 1.198) [0.3132, 0.2612, 0.059]\n", + " PeriodicSite: Li (5.278, 16.73, 8.445) [0.2598, 0.8237, 0.4158]\n", + " PeriodicSite: Li (7.26, 13.07, 0.2171) [0.3574, 0.6435, 0.01069]\n", + " PeriodicSite: Li (15.08, 7.152, 8.209) [0.7425, 0.3521, 0.4041]\n", + " PeriodicSite: Li (19.51, 7.584, 15.57) [0.9603, 0.3733, 0.7667]\n", + " PeriodicSite: Li (16.87, 18.06, 5.498) [0.8307, 0.889, 0.2707]\n", + " PeriodicSite: Li (16.59, 18.84, 16.15) [0.8167, 0.9277, 0.795]\n", + " PeriodicSite: Li (7.373, 5.104, 11.73) [0.363, 0.2513, 0.5775]\n", + " PeriodicSite: Li (4.761, 7.183, 19.22) [0.2344, 0.3536, 0.9461]\n", + " PeriodicSite: Li (9.589, 17.81, 6.583) [0.4721, 0.8767, 0.3241]\n", + " PeriodicSite: Li (12.52, 19.02, 0.1992) [0.6162, 0.9362, 0.009813]\n", + " PeriodicSite: Li (16.61, 8.069, 5.287) [0.8178, 0.3973, 0.2603]\n", + " PeriodicSite: Li (14.46, 7.567, 0.8433) [0.7119, 0.3725, 0.04152]\n", + " PeriodicSite: Li (18.9, 17.61, 9.607) [0.9306, 0.867, 0.473]\n", + " PeriodicSite: Li (17.92, 0.131, 2.361) [0.8823, 0.006442, 0.1163]\n", + " PeriodicSite: Li (5.012, 11.26, 3.324) [0.2467, 0.5544, 0.1636]\n", + " PeriodicSite: Li (10.03, 8.42, 18.42) [0.4937, 0.4145, 0.907]\n", + " PeriodicSite: Li (8.303, 15.41, 7.084) [0.4087, 0.7584, 0.3487]\n", + " PeriodicSite: Li (6.149, 19.76, 17.18) [0.3027, 0.973, 0.8457]\n", + " PeriodicSite: Li (19.22, 7.136, 6.087) [0.9461, 0.3513, 0.2997]\n", + " PeriodicSite: Li (18.24, 12.03, 0.42) [0.898, 0.5924, 0.02068]\n", + " PeriodicSite: Li (3.121, 15.54, 1.914) [0.1536, 0.765, 0.09423]\n", + " PeriodicSite: Li (15.43, 2.562, 13.84) [0.7597, 0.1261, 0.6815]\n", + " PeriodicSite: Cl (7.912, 12.36, 13.21) [0.3895, 0.6086, 0.6501]\n", + " PeriodicSite: Cl (2.473, 13.12, 17.85) [0.1218, 0.6457, 0.8786]\n", + " PeriodicSite: Cl (13.18, 18.17, 12.88) [0.6487, 0.8944, 0.6342]\n", + " PeriodicSite: Cl (17.39, 8.062, 17.88) [0.8564, 0.3969, 0.8802]\n", + " PeriodicSite: Cl (7.528, 2.777, 2.287) [0.3706, 0.1367, 0.1126]\n", + " PeriodicSite: Cl (7.828, 7.964, 7.293) [0.3854, 0.3921, 0.3591]\n", + " PeriodicSite: Cl (13.07, 12.51, 7.933) [0.6436, 0.6159, 0.3905]\n", + " PeriodicSite: Cl (2.643, 7.374, 2.605) [0.1301, 0.363, 0.1282]\n", + " PeriodicSite: Cl (2.449, 7.618, 12.44) [0.1206, 0.3751, 0.6122]\n", + " PeriodicSite: Cl (12.72, 12.56, 17.81) [0.626, 0.6183, 0.877]\n", + " PeriodicSite: Cl (17.74, 17.93, 18.26) [0.8731, 0.8825, 0.8989]\n", + " PeriodicSite: Cl (2.057, 2.302, 7.606) [0.1013, 0.1133, 0.3745]\n", + " PeriodicSite: Cl (13.25, 2.513, 17.57) [0.6524, 0.1237, 0.865]\n", + " PeriodicSite: Cl (12.34, 7.595, 2.3) [0.6073, 0.3739, 0.1132]\n", + " PeriodicSite: Cl (17.8, 2.466, 12.83) [0.8766, 0.1214, 0.6317]\n", + " PeriodicSite: Cl (7.717, 17.81, 17.98) [0.3799, 0.877, 0.8852]\n", + " PeriodicSite: Cl (20.08, 0.5852, 0.393) [0.9887, 0.0288, 0.01935]\n", + " PeriodicSite: Cl (20.09, 19.78, 10.09) [0.9888, 0.974, 0.4967]\n", + " PeriodicSite: Cl (19.83, 10.43, 0.02781) [0.9763, 0.5133, 0.001375]\n", + " PeriodicSite: Cl (20.19, 10.1, 10.09) [0.9938, 0.4972, 0.4967]\n", + " PeriodicSite: Cl (10.34, 20.19, 20.16) [0.5091, 0.9939, 0.9927]\n", + " PeriodicSite: Cl (10.34, 20.28, 10.05) [0.5089, 0.9983, 0.495]\n", + " PeriodicSite: Cl (9.877, 10.25, 20.19) [0.4863, 0.5045, 0.994]\n", + " PeriodicSite: Cl (10.41, 10.2, 9.989) [0.5126, 0.5023, 0.4918]\n", + " PeriodicSite: Cl (20.02, 4.906, 5.107) [0.9857, 0.2415, 0.2514]\n", + " PeriodicSite: Cl (19.97, 5.105, 15.23) [0.983, 0.2513, 0.7498]\n", + " PeriodicSite: Cl (0.1599, 15.64, 5.044) [0.007864, 0.77, 0.2483]\n", + " PeriodicSite: Cl (0.2514, 15.14, 15.06) [0.01238, 0.7452, 0.7415]\n", + " PeriodicSite: Cl (9.996, 5.129, 4.782) [0.4921, 0.2525, 0.2354]\n", + " PeriodicSite: Cl (9.919, 5.495, 14.77) [0.4883, 0.2705, 0.7273]\n", + " PeriodicSite: Cl (10.17, 15.44, 5.416) [0.5007, 0.7604, 0.2666]\n", + " PeriodicSite: Cl (10.97, 15.18, 15.13) [0.5402, 0.7476, 0.7449]\n", + " PeriodicSite: S (4.641, 0.1259, 5.016) [0.2285, 0.006198, 0.2469]\n", + " PeriodicSite: S (5.197, 0.2048, 15.07) [0.2559, 0.01008, 0.7421]\n", + " PeriodicSite: S (5.206, 9.961, 5.232) [0.2563, 0.4904, 0.2576]\n", + " PeriodicSite: S (5.098, 10.21, 15.39) [0.251, 0.5028, 0.7576]\n", + " PeriodicSite: S (15.13, 0.06014, 5.008) [0.7449, 0.002954, 0.2466]\n", + " PeriodicSite: S (15.34, 0.05388, 14.94) [0.755, 0.002647, 0.7354]\n", + " PeriodicSite: S (15.49, 10.24, 5.126) [0.7628, 0.5041, 0.2524]\n", + " PeriodicSite: S (15.2, 10.18, 15.29) [0.7485, 0.501, 0.7529]\n", + " PeriodicSite: S (4.694, 4.865, 19.98) [0.2311, 0.2395, 0.9837]\n", + " PeriodicSite: S (5.091, 5.206, 10.22) [0.2506, 0.2563, 0.5033]\n", + " PeriodicSite: S (4.84, 15.29, 0.368) [0.2383, 0.7529, 0.01812]\n", + " PeriodicSite: S (5.227, 15.16, 10.09) [0.2573, 0.7465, 0.4966]\n", + " PeriodicSite: S (15.28, 5.311, 20.26) [0.752, 0.2615, 0.9973]\n", + " PeriodicSite: S (15.31, 5.366, 9.823) [0.7536, 0.2642, 0.4836]\n", + " PeriodicSite: S (14.8, 15.4, 20.3) [0.7288, 0.7582, 0.9995]\n", + " PeriodicSite: S (15.26, 15.25, 10.26) [0.7514, 0.7507, 0.5051]\n", + " PeriodicSite: S (8.906, 3.89, 8.428) [0.4385, 0.1915, 0.4149]\n", + " PeriodicSite: S (8.982, 3.832, 19.01) [0.4422, 0.1887, 0.9358]\n", + " PeriodicSite: S (9.185, 13.95, 8.822) [0.4522, 0.6868, 0.4343]\n", + " PeriodicSite: S (8.307, 14.25, 18.96) [0.409, 0.7016, 0.9333]\n", + " PeriodicSite: S (18.86, 3.675, 9.43) [0.9287, 0.1809, 0.4643]\n", + " PeriodicSite: S (18.92, 4.083, 19.11) [0.9316, 0.201, 0.9409]\n", + " PeriodicSite: S (18.98, 13.61, 9.105) [0.9342, 0.6699, 0.4483]\n", + " PeriodicSite: S (19.3, 14.22, 19.33) [0.9502, 0.7, 0.9515]\n", + " PeriodicSite: S (3.644, 0.8478, 1.172) [0.1794, 0.04174, 0.0577]\n", + " PeriodicSite: S (3.926, 1.115, 11.19) [0.1933, 0.0549, 0.551]\n", + " PeriodicSite: S (3.59, 11.51, 1.416) [0.1767, 0.5666, 0.06969]\n", + " PeriodicSite: S (3.881, 11.24, 11.21) [0.1911, 0.5532, 0.5518]\n", + " PeriodicSite: S (13.64, 1.07, 0.7491) [0.6715, 0.05265, 0.03689]\n", + " PeriodicSite: S (14.33, 1.659, 11.55) [0.7052, 0.08168, 0.5686]\n", + " PeriodicSite: S (14.01, 11.59, 1.395) [0.6896, 0.5706, 0.06868]\n", + " PeriodicSite: S (14.15, 11.25, 11.58) [0.6968, 0.5536, 0.5703]\n", + " PeriodicSite: S (6.273, 0.9041, 9.019) [0.3088, 0.04451, 0.444]\n", + " PeriodicSite: S (6.231, 1.147, 19.14) [0.3067, 0.05646, 0.9421]\n", + " PeriodicSite: S (6.625, 11.07, 9.133) [0.3261, 0.5448, 0.4496]\n", + " PeriodicSite: S (5.91, 11.48, 19.35) [0.291, 0.5651, 0.9524]\n", + " PeriodicSite: S (16.66, 1.181, 9.062) [0.82, 0.05814, 0.4461]\n", + " PeriodicSite: S (16.43, 1.492, 19.01) [0.8088, 0.07347, 0.936]\n", + " PeriodicSite: S (16.53, 11.35, 9.162) [0.8138, 0.5585, 0.451]\n", + " PeriodicSite: S (16.44, 11.46, 19.39) [0.8093, 0.5639, 0.9547]\n", + " PeriodicSite: S (0.8875, 3.963, 1.321) [0.04369, 0.1951, 0.06506]\n", + " PeriodicSite: S (1.216, 3.587, 11.28) [0.05988, 0.1766, 0.5552]\n", + " PeriodicSite: S (1.238, 13.82, 1.556) [0.06097, 0.6802, 0.07661]\n", + " PeriodicSite: S (1.18, 13.62, 11.32) [0.05809, 0.6704, 0.5574]\n", + " PeriodicSite: S (11.01, 4.399, 1.389) [0.5421, 0.2166, 0.06837]\n", + " PeriodicSite: S (11.43, 4.026, 10.83) [0.5628, 0.1982, 0.5331]\n", + " PeriodicSite: S (10.74, 13.88, 0.7225) [0.5288, 0.6835, 0.03557]\n", + " PeriodicSite: S (11.28, 13.56, 11.28) [0.5553, 0.6677, 0.5551]\n", + " PeriodicSite: S (2.474, 2.453, 17.76) [0.1218, 0.1208, 0.8742]\n", + " PeriodicSite: S (2.679, 12.57, 7.765) [0.1319, 0.619, 0.3823]\n", + " PeriodicSite: S (12.8, 2.366, 7.879) [0.6304, 0.1165, 0.3879]\n", + " PeriodicSite: S (9.128, 9.296, 3.676) [0.4494, 0.4576, 0.181]\n", + " PeriodicSite: S (9.086, 9.04, 14.16) [0.4473, 0.4451, 0.6971]\n", + " PeriodicSite: S (8.925, 19.22, 4.056) [0.4394, 0.946, 0.1997]\n", + " PeriodicSite: S (8.912, 19.54, 13.85) [0.4388, 0.9618, 0.682]\n", + " PeriodicSite: S (18.92, 8.871, 3.873) [0.9314, 0.4367, 0.1907]\n", + " PeriodicSite: S (19.11, 9.249, 14.06) [0.9409, 0.4553, 0.6923]\n", + " PeriodicSite: S (18.93, 18.93, 3.985) [0.9319, 0.9321, 0.1962]\n", + " PeriodicSite: S (19.03, 19.28, 14.11) [0.937, 0.9493, 0.6947]\n", + " PeriodicSite: S (3.712, 5.829, 6.07) [0.1827, 0.287, 0.2988]\n", + " PeriodicSite: S (3.738, 6.224, 16.46) [0.184, 0.3064, 0.8102]\n", + " PeriodicSite: S (3.987, 15.83, 6.456) [0.1963, 0.7794, 0.3178]\n", + " PeriodicSite: S (4.134, 16.8, 16.4) [0.2035, 0.8271, 0.8073]\n", + " PeriodicSite: S (13.72, 6.097, 5.985) [0.6755, 0.3002, 0.2947]\n", + " PeriodicSite: S (14.32, 6.489, 16.72) [0.7051, 0.3194, 0.8232]\n", + " PeriodicSite: S (13.89, 16.3, 6.368) [0.6837, 0.8027, 0.3135]\n", + " PeriodicSite: S (14.23, 16.46, 16.46) [0.7005, 0.8101, 0.8102]\n", + " PeriodicSite: S (6.049, 6.386, 3.634) [0.2978, 0.3144, 0.1789]\n", + " PeriodicSite: S (5.93, 6.245, 14.02) [0.2919, 0.3074, 0.6903]\n", + " PeriodicSite: S (6.393, 16.04, 4.218) [0.3147, 0.7899, 0.2077]\n", + " PeriodicSite: S (6.4, 15.92, 13.91) [0.3151, 0.7837, 0.685]\n", + " PeriodicSite: S (16.31, 6.007, 3.6) [0.8032, 0.2957, 0.1772]\n", + " PeriodicSite: S (16.08, 6.616, 13.83) [0.7917, 0.3257, 0.6807]\n", + " PeriodicSite: S (16.3, 16.39, 4.057) [0.8023, 0.8067, 0.1997]\n", + " PeriodicSite: S (16.78, 16.44, 14.32) [0.8262, 0.8095, 0.7048]\n", + " PeriodicSite: S (1.096, 8.443, 6.135) [0.05397, 0.4156, 0.302]\n", + " PeriodicSite: S (1.181, 8.783, 16.2) [0.05812, 0.4324, 0.7975]\n", + " PeriodicSite: S (1.122, 18.93, 6.13) [0.05525, 0.932, 0.3018]\n", + " PeriodicSite: S (1.231, 18.73, 16.5) [0.06059, 0.9222, 0.8122]\n", + " PeriodicSite: S (11.55, 8.851, 6.01) [0.5687, 0.4358, 0.2959]\n", + " PeriodicSite: S (11.33, 9.288, 16.69) [0.5579, 0.4573, 0.8217]\n", + " PeriodicSite: S (11.5, 19.31, 6.4) [0.5659, 0.9505, 0.3151]\n", + " PeriodicSite: S (11.42, 19.37, 16.09) [0.5624, 0.9537, 0.7923]\n", + " PeriodicSite: S (3.045, 17.76, 2.804) [0.1499, 0.8744, 0.1381]\n", + " PeriodicSite: S (2.453, 17.82, 12.82) [0.1207, 0.8774, 0.6311]\n", + " PeriodicSite: S (12.43, 7.768, 12.41) [0.6119, 0.3824, 0.6107]\n", + " PeriodicSite: S (12.66, 17.74, 2.51) [0.6232, 0.8734, 0.1236]\n", + " PeriodicSite: S (4.016, 3.638, 3.506) [0.1977, 0.1791, 0.1726]\n", + " PeriodicSite: S (3.489, 4.106, 13.85) [0.1718, 0.2022, 0.6818]\n", + " PeriodicSite: S (4.075, 13.62, 4.103) [0.2006, 0.6705, 0.202]\n", + " PeriodicSite: S (3.54, 14.27, 14.3) [0.1743, 0.7024, 0.7039]\n", + " PeriodicSite: S (13.95, 3.849, 3.583) [0.687, 0.1895, 0.1764]\n", + " PeriodicSite: S (13.76, 4.346, 13.86) [0.6774, 0.214, 0.6825]\n", + " PeriodicSite: S (13.82, 14.11, 4.094) [0.6805, 0.6947, 0.2016]\n", + " PeriodicSite: S (14.34, 14.08, 14.32) [0.7062, 0.6931, 0.7051]\n", + " PeriodicSite: S (8.821, 1.061, 6.415) [0.4343, 0.05224, 0.3158]\n", + " PeriodicSite: S (9.484, 1.604, 16.25) [0.4669, 0.07897, 0.7999]\n", + " PeriodicSite: S (9.35, 11.35, 6.282) [0.4603, 0.5587, 0.3092]\n", + " PeriodicSite: S (8.957, 11.72, 16.45) [0.441, 0.5772, 0.8101]\n", + " PeriodicSite: S (18.93, 1.032, 6.377) [0.9317, 0.05081, 0.3139]\n", + " PeriodicSite: S (19.39, 1.11, 16.62) [0.9547, 0.05464, 0.8183]\n", + " PeriodicSite: S (19.05, 10.7, 6.524) [0.9377, 0.5267, 0.3212]\n", + " PeriodicSite: S (19.58, 11.35, 16.8) [0.9642, 0.5588, 0.8273]\n", + " PeriodicSite: S (0.9533, 1.069, 4.092) [0.04693, 0.05263, 0.2014]\n", + " PeriodicSite: S (1.505, 0.8796, 14.11) [0.07411, 0.04331, 0.6949]\n", + " PeriodicSite: S (1.295, 11.07, 4.377) [0.06376, 0.5451, 0.2155]\n", + " PeriodicSite: S (1.534, 11.41, 14.04) [0.07553, 0.5615, 0.6912]\n", + " PeriodicSite: S (11.26, 1.051, 3.988) [0.5542, 0.05175, 0.1963]\n", + " PeriodicSite: S (11.52, 1.505, 13.65) [0.5671, 0.07411, 0.6719]\n", + " PeriodicSite: S (11.51, 11.46, 3.739) [0.5666, 0.564, 0.1841]\n", + " PeriodicSite: S (11.35, 11.44, 13.94) [0.5588, 0.5631, 0.6864]\n", + " PeriodicSite: S (6.318, 3.733, 5.981) [0.3111, 0.1838, 0.2944]\n", + " PeriodicSite: S (6.126, 3.803, 16.02) [0.3016, 0.1872, 0.7888]\n", + " PeriodicSite: S (6.506, 13.46, 6.421) [0.3203, 0.6626, 0.3161]\n", + " PeriodicSite: S (5.925, 14.06, 16.67) [0.2917, 0.6924, 0.8209]\n", + " PeriodicSite: S (16.15, 3.873, 6.366) [0.7951, 0.1907, 0.3134]\n", + " PeriodicSite: S (16.36, 4.052, 15.96) [0.8055, 0.1995, 0.7858]\n", + " PeriodicSite: S (16.29, 13.92, 6.336) [0.8018, 0.6853, 0.3119]\n", + " PeriodicSite: S (16.88, 14.2, 16.66) [0.8312, 0.6992, 0.82]\n", + " PeriodicSite: S (7.626, 2.869, 12.3) [0.3754, 0.1412, 0.6057]\n", + " PeriodicSite: S (7.523, 12.65, 2.369) [0.3704, 0.6229, 0.1166]\n", + " PeriodicSite: S (17.63, 2.573, 2.766) [0.8679, 0.1267, 0.1362]\n", + " PeriodicSite: S (17.67, 12.71, 2.742) [0.8701, 0.6258, 0.135]\n", + " PeriodicSite: S (17.57, 12.82, 12.73) [0.8652, 0.6314, 0.6266]\n", + " PeriodicSite: S (4.031, 8.789, 9.191) [0.1984, 0.4327, 0.4525]\n", + " PeriodicSite: S (3.309, 9.113, 19.7) [0.1629, 0.4487, 0.9699]\n", + " PeriodicSite: S (3.955, 18.79, 9.149) [0.1947, 0.9252, 0.4504]\n", + " PeriodicSite: S (4.227, 19.01, 18.91) [0.2081, 0.9361, 0.9309]\n", + " PeriodicSite: S (14.15, 9.306, 8.767) [0.6965, 0.4581, 0.4316]\n", + " PeriodicSite: S (13.82, 9.181, 19.45) [0.6805, 0.452, 0.9574]\n", + " PeriodicSite: S (14.05, 19.33, 9.437) [0.6916, 0.9516, 0.4646]\n", + " PeriodicSite: S (14.14, 19.21, 18.67) [0.6959, 0.9458, 0.9192]\n", + " PeriodicSite: S (8.471, 6.398, 1.07) [0.417, 0.315, 0.05266]\n", + " PeriodicSite: S (9.039, 6.48, 10.62) [0.445, 0.319, 0.5226]\n", + " PeriodicSite: S (8.954, 16.5, 1.278) [0.4408, 0.8122, 0.06291]\n", + " PeriodicSite: S (8.971, 16.09, 11.43) [0.4416, 0.7924, 0.5629]\n", + " PeriodicSite: S (18.68, 6.395, 0.8801) [0.9196, 0.3148, 0.04333]\n", + " PeriodicSite: S (19.18, 5.946, 11.69) [0.9441, 0.2927, 0.5753]\n", + " PeriodicSite: S (19.01, 16.25, 1.662) [0.9361, 0.8002, 0.08183]\n", + " PeriodicSite: S (19.21, 16.1, 11.43) [0.9459, 0.7924, 0.5625]\n", + " PeriodicSite: S (1.016, 6.426, 9.279) [0.05003, 0.3164, 0.4568]\n", + " PeriodicSite: S (1.108, 6.397, 19.3) [0.05453, 0.3149, 0.9501]\n", + " PeriodicSite: S (1.115, 15.96, 9.12) [0.0549, 0.7857, 0.449]\n", + " PeriodicSite: S (1.355, 16.44, 19.88) [0.06669, 0.8093, 0.9785]\n", + " PeriodicSite: S (11.29, 6.184, 8.405) [0.5558, 0.3045, 0.4138]\n", + " PeriodicSite: S (11.27, 6.616, 19.25) [0.5547, 0.3257, 0.9478]\n", + " PeriodicSite: S (11.79, 16.24, 9.611) [0.5805, 0.7995, 0.4732]\n", + " PeriodicSite: S (10.69, 16.34, 18.68) [0.5265, 0.8043, 0.9195]\n", + " PeriodicSite: S (5.941, 9.075, 1.387) [0.2925, 0.4468, 0.06828]\n", + " PeriodicSite: S (6.406, 9.025, 11.56) [0.3154, 0.4443, 0.5689]\n", + " PeriodicSite: S (6.328, 19.17, 1.174) [0.3115, 0.9436, 0.05782]\n", + " PeriodicSite: S (6.331, 18.75, 11.35) [0.3117, 0.9229, 0.5587]\n", + " PeriodicSite: S (16.32, 9.252, 1.247) [0.8033, 0.4555, 0.06141]\n", + " PeriodicSite: S (16.16, 8.774, 11.51) [0.7955, 0.432, 0.5667]\n", + " PeriodicSite: S (16.15, 19.38, 1.134) [0.795, 0.9539, 0.05583]\n", + " PeriodicSite: S (16.67, 19.51, 11.48) [0.8209, 0.9606, 0.565]\n", + " PeriodicSite: S (7.401, 7.611, 17.61) [0.3644, 0.3747, 0.867]\n", + " PeriodicSite: S (7.615, 17.61, 7.763) [0.3749, 0.8671, 0.3822]\n", + " PeriodicSite: S (17.54, 7.641, 7.777) [0.8636, 0.3762, 0.3829]\n", + " PeriodicSite: S (17.6, 17.57, 7.842) [0.8664, 0.8648, 0.3861]\n", + " PeriodicSite: P (5.02, 20.22, 20.31) [0.2471, 0.9955, 0.9998]\n", + " PeriodicSite: P (5.188, 20.11, 10.3) [0.2554, 0.9899, 0.507]\n", + " PeriodicSite: P (4.762, 10.24, 0.2595) [0.2344, 0.5041, 0.01278]\n", + " PeriodicSite: P (5.286, 9.966, 10.19) [0.2602, 0.4906, 0.5015]\n", + " PeriodicSite: P (15.13, 0.1211, 20.06) [0.7447, 0.005954, 0.9874]\n", + " PeriodicSite: P (15.37, 0.2484, 10.51) [0.7566, 0.01222, 0.5175]\n", + " PeriodicSite: P (15.09, 10.42, 0.1359) [0.7428, 0.5128, 0.006697]\n", + " PeriodicSite: P (15.17, 10.08, 10.3) [0.747, 0.4961, 0.5069]\n", + " PeriodicSite: P (4.998, 4.9, 4.787) [0.2461, 0.2413, 0.2357]\n", + " PeriodicSite: P (4.778, 5.054, 15.15) [0.2352, 0.2488, 0.7457]\n", + " PeriodicSite: P (5.264, 14.79, 5.333) [0.2592, 0.728, 0.2625]\n", + " PeriodicSite: P (5.058, 15.36, 15.32) [0.249, 0.7564, 0.7544]\n", + " PeriodicSite: P (15.16, 4.943, 4.921) [0.7463, 0.2434, 0.2423]\n", + " PeriodicSite: P (15.03, 5.373, 15.16) [0.74, 0.2645, 0.7462]\n", + " PeriodicSite: P (15.01, 15.26, 5.15) [0.7389, 0.7511, 0.2536]\n", + " PeriodicSite: P (15.59, 15.23, 15.5) [0.7675, 0.75, 0.7629]\n", + " PeriodicSite: P (19.99, 20.24, 5.189) [0.9842, 0.9966, 0.2554]\n", + " PeriodicSite: P (0.2128, 20.15, 15.3) [0.01047, 0.992, 0.7531]\n", + " PeriodicSite: P (20.24, 9.862, 5.14) [0.9966, 0.4855, 0.2531]\n", + " PeriodicSite: P (0.1687, 10.3, 15.24) [0.008306, 0.5069, 0.7501]\n", + " PeriodicSite: P (10.07, 20.29, 5.284) [0.496, 0.999, 0.2601]\n", + " PeriodicSite: P (10.29, 0.3229, 14.85) [0.5065, 0.01589, 0.7311]\n", + " PeriodicSite: P (10.39, 10.23, 4.999) [0.5113, 0.5034, 0.2461]\n", + " PeriodicSite: P (10.16, 10.32, 15.3) [0.5002, 0.5082, 0.7532]\n", + " PeriodicSite: P (20.1, 5.142, 0.1042) [0.9895, 0.2531, 0.005135]\n", + " PeriodicSite: P (20.26, 4.919, 10.31) [0.9975, 0.2422, 0.5078]\n", + " PeriodicSite: P (0.1128, 15.17, 0.4751) [0.005547, 0.7469, 0.02339]\n", + " PeriodicSite: P (20.24, 14.79, 10.16) [0.9963, 0.7282, 0.5]\n", + " PeriodicSite: P (9.841, 5.405, 20.16) [0.4845, 0.2661, 0.9923]\n", + " PeriodicSite: P (10.08, 5.13, 9.542) [0.496, 0.2525, 0.4698]\n", + " PeriodicSite: P (9.68, 15.24, 20.06) [0.4766, 0.7504, 0.9877]\n", + " PeriodicSite: P (10.29, 15.03, 10.27) [0.5065, 0.7397, 0.5058],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.892, 6.056, 4.655) [0.09313, 0.2982, 0.2292]\n", + " PeriodicSite: Li (0.79, 3.501, 13.77) [0.03889, 0.1723, 0.6779]\n", + " PeriodicSite: Li (0.1692, 12.53, 8.003) [0.008328, 0.6169, 0.394]\n", + " PeriodicSite: Li (0.8348, 13.12, 15.92) [0.0411, 0.6461, 0.7837]\n", + " PeriodicSite: Li (14.29, 0.7109, 7.214) [0.7033, 0.03499, 0.3551]\n", + " PeriodicSite: Li (11.82, 3.49, 15.52) [0.5818, 0.1718, 0.7639]\n", + " PeriodicSite: Li (14.22, 11.53, 4.022) [0.7, 0.5678, 0.198]\n", + " PeriodicSite: Li (15.8, 8.52, 15.45) [0.7776, 0.4194, 0.7607]\n", + " PeriodicSite: Li (3.734, 5.113, 8.357) [0.1838, 0.2517, 0.4114]\n", + " PeriodicSite: Li (1.641, 2.007, 20.11) [0.08077, 0.09879, 0.9902]\n", + " PeriodicSite: Li (4.761, 7.986, 3.202) [0.2344, 0.3932, 0.1577]\n", + " PeriodicSite: Li (7.154, 10.1, 17.54) [0.3522, 0.4971, 0.8637]\n", + " PeriodicSite: Li (11.84, 4.482, 6.337) [0.5829, 0.2207, 0.312]\n", + " PeriodicSite: Li (13.16, 0.1591, 16.89) [0.6481, 0.007826, 0.8315]\n", + " PeriodicSite: Li (10.88, 9.286, 12.39) [0.5358, 0.4571, 0.6097]\n", + " PeriodicSite: Li (9.388, 18.74, 19.17) [0.4622, 0.9225, 0.9438]\n", + " PeriodicSite: Li (6.037, 1.559, 6.575) [0.2972, 0.07675, 0.3237]\n", + " PeriodicSite: Li (3.351, 20.01, 13.34) [0.165, 0.9849, 0.6565]\n", + " PeriodicSite: Li (2.837, 10.23, 5.831) [0.1397, 0.5035, 0.287]\n", + " PeriodicSite: Li (6.8, 10.36, 13.42) [0.3348, 0.51, 0.6609]\n", + " PeriodicSite: Li (12.62, 1.198, 9.888) [0.6213, 0.05896, 0.4868]\n", + " PeriodicSite: Li (10.76, 1.963, 18.46) [0.5297, 0.09666, 0.909]\n", + " PeriodicSite: Li (13.45, 15.0, 7.884) [0.6621, 0.7384, 0.3881]\n", + " PeriodicSite: Li (11.9, 10.21, 2.253) [0.5857, 0.5025, 0.1109]\n", + " PeriodicSite: Li (0.1496, 3.297, 7.434) [0.007367, 0.1623, 0.366]\n", + " PeriodicSite: Li (0.6031, 3.29, 16.92) [0.0297, 0.1619, 0.8331]\n", + " PeriodicSite: Li (1.791, 12.97, 5.253) [0.08819, 0.6387, 0.2586]\n", + " PeriodicSite: Li (3.917, 15.86, 18.85) [0.1929, 0.7809, 0.9282]\n", + " PeriodicSite: Li (12.84, 1.432, 5.232) [0.6321, 0.07048, 0.2576]\n", + " PeriodicSite: Li (15.42, 2.212, 16.95) [0.7592, 0.1089, 0.8347]\n", + " PeriodicSite: Li (12.17, 11.58, 9.707) [0.5991, 0.5702, 0.4779]\n", + " PeriodicSite: Li (15.47, 16.91, 19.24) [0.7614, 0.8327, 0.9471]\n", + " PeriodicSite: Li (5.637, 2.076, 3.793) [0.2775, 0.1022, 0.1867]\n", + " PeriodicSite: Li (0.509, 17.33, 3.037) [0.02505, 0.8533, 0.1495]\n", + " PeriodicSite: Li (3.352, 13.76, 8.788) [0.165, 0.6776, 0.4326]\n", + " PeriodicSite: Li (2.193, 16.68, 15.13) [0.108, 0.8213, 0.7447]\n", + " PeriodicSite: Li (14.92, 3.487, 8.009) [0.7345, 0.1716, 0.3943]\n", + " PeriodicSite: Li (13.37, 5.634, 18.36) [0.6582, 0.2773, 0.9039]\n", + " PeriodicSite: Li (16.91, 15.27, 8.266) [0.8324, 0.752, 0.407]\n", + " PeriodicSite: Li (9.861, 12.19, 18.77) [0.4855, 0.6004, 0.9242]\n", + " PeriodicSite: Li (3.022, 2.231, 5.142) [0.1488, 0.1098, 0.2532]\n", + " PeriodicSite: Li (2.911, 0.07244, 16.93) [0.1433, 0.003566, 0.8336]\n", + " PeriodicSite: Li (5.002, 12.01, 6.327) [0.2463, 0.5913, 0.3115]\n", + " PeriodicSite: Li (18.17, 14.67, 4.04) [0.8946, 0.722, 0.1989]\n", + " PeriodicSite: Li (10.95, 1.323, 7.645) [0.5389, 0.06514, 0.3764]\n", + " PeriodicSite: Li (17.84, 0.8179, 14.69) [0.8781, 0.04026, 0.7232]\n", + " PeriodicSite: Li (14.26, 11.05, 7.174) [0.7022, 0.5442, 0.3532]\n", + " PeriodicSite: Li (14.33, 10.5, 17.39) [0.7056, 0.5171, 0.8562]\n", + " PeriodicSite: Li (4.269, 12.87, 16.54) [0.2102, 0.6337, 0.8144]\n", + " PeriodicSite: Li (2.533, 11.15, 9.516) [0.1247, 0.5489, 0.4685]\n", + " PeriodicSite: Li (1.868, 16.6, 5.454) [0.09198, 0.817, 0.2685]\n", + " PeriodicSite: Li (1.741, 1.781, 10.11) [0.08573, 0.08768, 0.4976]\n", + " PeriodicSite: Li (14.01, 5.285, 2.23) [0.6898, 0.2602, 0.1098]\n", + " PeriodicSite: Li (12.47, 7.151, 14.68) [0.6141, 0.352, 0.7228]\n", + " PeriodicSite: Li (10.56, 13.2, 6.998) [0.5199, 0.6496, 0.3445]\n", + " PeriodicSite: Li (13.57, 0.02475, 13.29) [0.668, 0.001213, 0.6544]\n", + " PeriodicSite: Li (3.26, 4.885, 1.555) [0.1605, 0.2405, 0.07653]\n", + " PeriodicSite: Li (2.514, 6.063, 11.04) [0.1238, 0.2985, 0.5433]\n", + " PeriodicSite: Li (6.74, 16.61, 19.71) [0.3318, 0.8176, 0.9702]\n", + " PeriodicSite: Li (4.329, 18.01, 14.45) [0.2131, 0.8867, 0.7112]\n", + " PeriodicSite: Li (14.75, 2.867, 19.6) [0.7263, 0.1411, 0.9649]\n", + " PeriodicSite: Li (10.9, 5.682, 12.8) [0.5367, 0.2797, 0.6301]\n", + " PeriodicSite: Li (12.52, 15.61, 4.162) [0.6163, 0.7687, 0.2049]\n", + " PeriodicSite: Li (12.17, 17.36, 14.77) [0.5991, 0.8545, 0.7269]\n", + " PeriodicSite: Li (3.179, 10.18, 17.02) [0.1565, 0.5013, 0.8381]\n", + " PeriodicSite: Li (4.592, 7.191, 11.38) [0.2261, 0.354, 0.5601]\n", + " PeriodicSite: Li (4.735, 17.13, 2.48) [0.2331, 0.8432, 0.1221]\n", + " PeriodicSite: Li (2.96, 16.92, 10.07) [0.1457, 0.8328, 0.4959]\n", + " PeriodicSite: Li (10.84, 6.898, 3.022) [0.5336, 0.3396, 0.1488]\n", + " PeriodicSite: Li (14.29, 5.891, 12.24) [0.7036, 0.29, 0.6026]\n", + " PeriodicSite: Li (10.59, 18.92, 2.954) [0.5211, 0.9315, 0.1454]\n", + " PeriodicSite: Li (13.8, 14.86, 11.72) [0.6793, 0.7317, 0.577]\n", + " PeriodicSite: Li (1.408, 8.265, 1.012) [0.0693, 0.4069, 0.04985]\n", + " PeriodicSite: Li (17.32, 4.937, 7.64) [0.8526, 0.243, 0.3761]\n", + " PeriodicSite: Li (2.54, 19.48, 4.691) [0.125, 0.9592, 0.231]\n", + " PeriodicSite: Li (0.79, 19.44, 12.52) [0.03889, 0.957, 0.6162]\n", + " PeriodicSite: Li (9.944, 6.967, 6.536) [0.4896, 0.343, 0.3218]\n", + " PeriodicSite: Li (13.49, 12.11, 15.07) [0.664, 0.5964, 0.7418]\n", + " PeriodicSite: Li (15.08, 16.94, 2.037) [0.7426, 0.8339, 0.1003]\n", + " PeriodicSite: Li (12.43, 15.11, 17.22) [0.6119, 0.744, 0.848]\n", + " PeriodicSite: Li (7.083, 8.905, 5.082) [0.3487, 0.4384, 0.2502]\n", + " PeriodicSite: Li (20.07, 12.44, 12.74) [0.9878, 0.6126, 0.6274]\n", + " PeriodicSite: Li (19.54, 16.91, 6.915) [0.9621, 0.8327, 0.3405]\n", + " PeriodicSite: Li (6.834, 18.8, 13.97) [0.3364, 0.9257, 0.6879]\n", + " PeriodicSite: Li (17.35, 10.17, 3.334) [0.8541, 0.5005, 0.1642]\n", + " PeriodicSite: Li (11.87, 7.733, 10.22) [0.5842, 0.3807, 0.5029]\n", + " PeriodicSite: Li (12.81, 16.12, 0.9956) [0.6306, 0.7935, 0.04902]\n", + " PeriodicSite: Li (10.66, 17.61, 11.62) [0.5248, 0.8672, 0.5721]\n", + " PeriodicSite: Li (4.756, 2.809, 18.77) [0.2341, 0.1383, 0.9241]\n", + " PeriodicSite: Li (3.459, 10.49, 13.79) [0.1703, 0.5162, 0.6789]\n", + " PeriodicSite: Li (4.199, 19.71, 2.692) [0.2067, 0.9705, 0.1325]\n", + " PeriodicSite: Li (0.9938, 15.67, 12.55) [0.04892, 0.7712, 0.6178]\n", + " PeriodicSite: Li (13.44, 8.493, 4.829) [0.6616, 0.4181, 0.2378]\n", + " PeriodicSite: Li (14.57, 9.199, 12.94) [0.7172, 0.4529, 0.6369]\n", + " PeriodicSite: Li (12.98, 18.51, 4.985) [0.639, 0.9111, 0.2454]\n", + " PeriodicSite: Li (18.37, 5.181, 13.95) [0.9043, 0.2551, 0.6868]\n", + " PeriodicSite: Li (10.01, 2.131, 2.011) [0.4928, 0.1049, 0.09899]\n", + " PeriodicSite: Li (10.15, 2.052, 11.93) [0.4995, 0.101, 0.5872]\n", + " PeriodicSite: Li (7.507, 12.45, 5.057) [0.3696, 0.6127, 0.249]\n", + " PeriodicSite: Li (6.826, 11.96, 15.3) [0.336, 0.5886, 0.7531]\n", + " PeriodicSite: Li (18.05, 4.257, 3.885) [0.8887, 0.2096, 0.1912]\n", + " PeriodicSite: Li (12.84, 4.434, 9.873) [0.6321, 0.2183, 0.486]\n", + " PeriodicSite: Li (19.95, 13.01, 3.075) [0.9823, 0.6406, 0.1514]\n", + " PeriodicSite: Li (16.81, 10.61, 13.07) [0.8278, 0.5224, 0.6432]\n", + " PeriodicSite: Li (6.769, 18.7, 5.569) [0.3333, 0.9208, 0.2742]\n", + " PeriodicSite: Li (8.134, 3.683, 14.55) [0.4004, 0.1813, 0.7161]\n", + " PeriodicSite: Li (3.75, 13.05, 19.98) [0.1846, 0.6427, 0.9836]\n", + " PeriodicSite: Li (9.992, 13.54, 13.64) [0.4919, 0.6665, 0.6717]\n", + " PeriodicSite: Li (14.08, 19.77, 2.702) [0.6934, 0.9731, 0.133]\n", + " PeriodicSite: Li (18.33, 1.217, 11.03) [0.9026, 0.05991, 0.5429]\n", + " PeriodicSite: Li (17.49, 15.26, 0.212) [0.8611, 0.7514, 0.01044]\n", + " PeriodicSite: Li (16.81, 15.15, 11.9) [0.8278, 0.746, 0.586]\n", + " PeriodicSite: Li (7.967, 4.71, 4.136) [0.3922, 0.2319, 0.2036]\n", + " PeriodicSite: Li (7.804, 0.6846, 11.53) [0.3842, 0.0337, 0.5678]\n", + " PeriodicSite: Li (9.741, 12.2, 2.042) [0.4796, 0.6008, 0.1005]\n", + " PeriodicSite: Li (3.596, 14.19, 11.73) [0.177, 0.6987, 0.5776]\n", + " PeriodicSite: Li (19.9, 2.174, 2.487) [0.9799, 0.107, 0.1224]\n", + " PeriodicSite: Li (0.06666, 8.618, 12.16) [0.003281, 0.4243, 0.5986]\n", + " PeriodicSite: Li (15.67, 13.28, 1.862) [0.7715, 0.6536, 0.09166]\n", + " PeriodicSite: Li (16.19, 12.71, 14.44) [0.7969, 0.6257, 0.711]\n", + " PeriodicSite: Li (2.926, 0.3337, 7.11) [0.144, 0.01643, 0.35]\n", + " PeriodicSite: Li (6.761, 1.524, 14.71) [0.3328, 0.075, 0.7243]\n", + " PeriodicSite: Li (5.097, 13.87, 2.216) [0.2509, 0.6828, 0.1091]\n", + " PeriodicSite: Li (7.99, 7.141, 15.64) [0.3934, 0.3516, 0.77]\n", + " PeriodicSite: Li (16.89, 5.368, 1.515) [0.8316, 0.2643, 0.07457]\n", + " PeriodicSite: Li (15.45, 18.86, 13.73) [0.7608, 0.9286, 0.676]\n", + " PeriodicSite: Li (13.71, 13.17, 0.2206) [0.6749, 0.6485, 0.01086]\n", + " PeriodicSite: Li (18.23, 11.64, 10.34) [0.8974, 0.573, 0.5088]\n", + " PeriodicSite: Li (7.557, 8.243, 20.03) [0.372, 0.4058, 0.9859]\n", + " PeriodicSite: Li (5.151, 2.947, 11.53) [0.2536, 0.1451, 0.5676]\n", + " PeriodicSite: Li (7.518, 10.53, 2.18) [0.3701, 0.5186, 0.1073]\n", + " PeriodicSite: Li (9.022, 11.87, 10.77) [0.4442, 0.5842, 0.5304]\n", + " PeriodicSite: Li (15.06, 2.438, 2.696) [0.7412, 0.12, 0.1327]\n", + " PeriodicSite: Li (16.56, 3.574, 10.69) [0.8154, 0.1759, 0.5263]\n", + " PeriodicSite: Li (0.543, 11.75, 18.91) [0.02673, 0.5784, 0.9309]\n", + " PeriodicSite: Li (18.34, 14.61, 14.17) [0.9028, 0.7191, 0.6977]\n", + " PeriodicSite: Li (7.475, 2.661, 0.133) [0.368, 0.131, 0.00655]\n", + " PeriodicSite: Li (7.366, 3.323, 10.32) [0.3626, 0.1636, 0.5081]\n", + " PeriodicSite: Li (7.847, 15.12, 2.54) [0.3863, 0.7444, 0.125]\n", + " PeriodicSite: Li (4.869, 16.92, 11.9) [0.2397, 0.8329, 0.5856]\n", + " PeriodicSite: Li (18.15, 1.94, 0.2338) [0.8935, 0.09551, 0.01151]\n", + " PeriodicSite: Li (2.169, 6.215, 14.75) [0.1068, 0.306, 0.7259]\n", + " PeriodicSite: Li (6.569, 14.08, 9.184) [0.3234, 0.693, 0.4522]\n", + " PeriodicSite: Li (15.69, 13.06, 10.43) [0.7726, 0.6432, 0.5137]\n", + " PeriodicSite: Li (16.92, 12.12, 5.369) [0.8332, 0.5964, 0.2643]\n", + " PeriodicSite: Li (5.189, 8.331, 15.93) [0.2555, 0.4101, 0.7845]\n", + " PeriodicSite: Li (6.952, 14.82, 12.17) [0.3423, 0.7295, 0.5991]\n", + " PeriodicSite: Li (2.727, 18.46, 0.5283) [0.1342, 0.9089, 0.02601]\n", + " PeriodicSite: Li (17.25, 9.8, 7.312) [0.8493, 0.4824, 0.36]\n", + " PeriodicSite: Li (2.857, 4.696, 18.87) [0.1406, 0.2312, 0.929]\n", + " PeriodicSite: Li (17.1, 1.114, 5.541) [0.8418, 0.05483, 0.2728]\n", + " PeriodicSite: Li (20.15, 19.67, 18.35) [0.9919, 0.9686, 0.9036]\n", + " PeriodicSite: Li (5.544, 9.09, 7.613) [0.2729, 0.4475, 0.3748]\n", + " PeriodicSite: Li (7.495, 5.477, 18.83) [0.369, 0.2696, 0.9272]\n", + " PeriodicSite: Li (8.43, 19.42, 8.69) [0.415, 0.9562, 0.4278]\n", + " PeriodicSite: Li (9.029, 16.39, 17.32) [0.4445, 0.807, 0.8528]\n", + " PeriodicSite: Li (17.3, 6.935, 10.24) [0.8518, 0.3414, 0.504]\n", + " PeriodicSite: Li (18.83, 8.558, 20.04) [0.9268, 0.4213, 0.9866]\n", + " PeriodicSite: Li (18.26, 20.08, 8.554) [0.8989, 0.9885, 0.4212]\n", + " PeriodicSite: Li (20.04, 16.56, 17.55) [0.9863, 0.8155, 0.8642]\n", + " PeriodicSite: Li (6.741, 6.197, 9.129) [0.3319, 0.3051, 0.4494]\n", + " PeriodicSite: Li (3.922, 2.253, 15.61) [0.1931, 0.1109, 0.7684]\n", + " PeriodicSite: Li (7.621, 16.66, 9.675) [0.3752, 0.8203, 0.4763]\n", + " PeriodicSite: Li (17.08, 10.87, 17.07) [0.8409, 0.5352, 0.8405]\n", + " PeriodicSite: Li (19.87, 8.481, 8.428) [0.9783, 0.4175, 0.4149]\n", + " PeriodicSite: Li (16.66, 6.669, 19.1) [0.8202, 0.3283, 0.9402]\n", + " PeriodicSite: Li (15.69, 17.67, 9.3) [0.7726, 0.8699, 0.4579]\n", + " PeriodicSite: Li (15.14, 13.94, 18.48) [0.7452, 0.6864, 0.9098]\n", + " PeriodicSite: Li (8.547, 9.787, 8.246) [0.4208, 0.4818, 0.406]\n", + " PeriodicSite: Li (6.252, 4.617, 1.629) [0.3078, 0.2273, 0.08021]\n", + " PeriodicSite: Li (5.332, 17.0, 8.12) [0.2625, 0.8367, 0.3998]\n", + " PeriodicSite: Li (6.875, 13.08, 0.2496) [0.3385, 0.6441, 0.01229]\n", + " PeriodicSite: Li (15.07, 7.06, 8.223) [0.742, 0.3476, 0.4048]\n", + " PeriodicSite: Li (19.62, 7.303, 16.06) [0.966, 0.3595, 0.7905]\n", + " PeriodicSite: Li (16.85, 18.61, 5.953) [0.8296, 0.916, 0.2931]\n", + " PeriodicSite: Li (16.11, 18.99, 17.22) [0.7932, 0.935, 0.8478]\n", + " PeriodicSite: Li (7.124, 5.098, 12.1) [0.3507, 0.251, 0.5956]\n", + " PeriodicSite: Li (4.864, 7.128, 18.85) [0.2395, 0.3509, 0.9278]\n", + " PeriodicSite: Li (9.746, 17.38, 6.342) [0.4798, 0.8558, 0.3122]\n", + " PeriodicSite: Li (12.38, 19.48, 0.4675) [0.6097, 0.959, 0.02302]\n", + " PeriodicSite: Li (16.54, 7.93, 5.559) [0.8144, 0.3904, 0.2737]\n", + " PeriodicSite: Li (14.37, 7.306, 0.5277) [0.7077, 0.3597, 0.02598]\n", + " PeriodicSite: Li (18.23, 17.91, 10.28) [0.8975, 0.8817, 0.506]\n", + " PeriodicSite: Li (17.24, 0.2484, 2.927) [0.849, 0.01222, 0.1441]\n", + " PeriodicSite: Li (5.536, 11.13, 3.135) [0.2725, 0.5478, 0.1543]\n", + " PeriodicSite: Li (9.557, 8.014, 17.93) [0.4705, 0.3945, 0.8825]\n", + " PeriodicSite: Li (8.485, 15.3, 7.154) [0.4177, 0.753, 0.3522]\n", + " PeriodicSite: Li (5.688, 19.47, 17.38) [0.28, 0.9584, 0.8554]\n", + " PeriodicSite: Li (19.94, 6.517, 6.661) [0.9817, 0.3208, 0.328]\n", + " PeriodicSite: Li (18.26, 12.01, 0.2251) [0.8989, 0.5913, 0.01109]\n", + " PeriodicSite: Li (2.658, 15.82, 1.247) [0.1308, 0.7787, 0.06141]\n", + " PeriodicSite: Li (15.46, 2.621, 13.55) [0.7611, 0.1291, 0.6672]\n", + " PeriodicSite: Cl (7.777, 12.59, 12.6) [0.3829, 0.62, 0.6203]\n", + " PeriodicSite: Cl (2.547, 13.02, 17.84) [0.1254, 0.6408, 0.8784]\n", + " PeriodicSite: Cl (13.05, 17.96, 12.67) [0.6423, 0.8843, 0.6238]\n", + " PeriodicSite: Cl (17.9, 8.148, 17.48) [0.8812, 0.4011, 0.8608]\n", + " PeriodicSite: Cl (7.838, 2.992, 2.554) [0.3859, 0.1473, 0.1257]\n", + " PeriodicSite: Cl (7.645, 7.626, 7.179) [0.3764, 0.3754, 0.3534]\n", + " PeriodicSite: Cl (12.65, 12.86, 7.954) [0.6227, 0.6329, 0.3916]\n", + " PeriodicSite: Cl (2.57, 7.048, 2.474) [0.1265, 0.347, 0.1218]\n", + " PeriodicSite: Cl (2.531, 7.717, 12.48) [0.1246, 0.3799, 0.6142]\n", + " PeriodicSite: Cl (13.2, 12.66, 17.96) [0.6496, 0.6232, 0.8844]\n", + " PeriodicSite: Cl (17.84, 17.56, 18.07) [0.8782, 0.8643, 0.8897]\n", + " PeriodicSite: Cl (2.511, 2.504, 7.652) [0.1236, 0.1233, 0.3767]\n", + " PeriodicSite: Cl (12.97, 2.589, 17.44) [0.6385, 0.1274, 0.8584]\n", + " PeriodicSite: Cl (13.11, 7.995, 2.566) [0.6456, 0.3936, 0.1263]\n", + " PeriodicSite: Cl (17.86, 2.742, 12.83) [0.8793, 0.135, 0.6316]\n", + " PeriodicSite: Cl (7.566, 17.93, 17.78) [0.3725, 0.8829, 0.8754]\n", + " PeriodicSite: Cl (19.86, 0.3705, 0.4221) [0.9779, 0.01823, 0.02078]\n", + " PeriodicSite: Cl (19.99, 20.31, 10.4) [0.9841, 0.9997, 0.5121]\n", + " PeriodicSite: Cl (20.01, 10.3, 0.3232) [0.9851, 0.5071, 0.01592]\n", + " PeriodicSite: Cl (19.94, 9.877, 10.18) [0.9815, 0.4863, 0.501]\n", + " PeriodicSite: Cl (10.3, 0.1672, 0.2411) [0.5073, 0.008226, 0.01187]\n", + " PeriodicSite: Cl (9.906, 0.01002, 10.26) [0.4877, 0.0004897, 0.5053]\n", + " PeriodicSite: Cl (9.175, 10.41, 0.251) [0.4517, 0.5124, 0.01236]\n", + " PeriodicSite: Cl (10.28, 9.944, 10.06) [0.506, 0.4895, 0.4954]\n", + " PeriodicSite: Cl (20.21, 4.55, 5.483) [0.995, 0.224, 0.2699]\n", + " PeriodicSite: Cl (20.21, 4.884, 15.36) [0.995, 0.2404, 0.7559]\n", + " PeriodicSite: Cl (20.22, 15.5, 4.961) [0.9955, 0.7629, 0.2443]\n", + " PeriodicSite: Cl (0.1, 15.43, 14.97) [0.004921, 0.7597, 0.737]\n", + " PeriodicSite: Cl (10.13, 5.146, 5.036) [0.4989, 0.2534, 0.248]\n", + " PeriodicSite: Cl (10.32, 5.018, 14.88) [0.5079, 0.2471, 0.7323]\n", + " PeriodicSite: Cl (10.16, 15.17, 5.414) [0.5003, 0.7469, 0.2666]\n", + " PeriodicSite: Cl (10.79, 15.42, 15.4) [0.5313, 0.7589, 0.7582]\n", + " PeriodicSite: S (4.637, 0.2733, 5.309) [0.2283, 0.01345, 0.2613]\n", + " PeriodicSite: S (4.807, 20.05, 15.15) [0.2367, 0.9869, 0.746]\n", + " PeriodicSite: S (5.169, 10.01, 5.144) [0.2545, 0.4926, 0.2533]\n", + " PeriodicSite: S (5.011, 10.47, 15.55) [0.2467, 0.5153, 0.7656]\n", + " PeriodicSite: S (15.1, 0.09323, 4.98) [0.7435, 0.004583, 0.2452]\n", + " PeriodicSite: S (15.53, 0.518, 15.12) [0.7646, 0.02549, 0.7443]\n", + " PeriodicSite: S (15.5, 9.938, 5.463) [0.7632, 0.4893, 0.269]\n", + " PeriodicSite: S (15.47, 10.75, 15.23) [0.7618, 0.5292, 0.7498]\n", + " PeriodicSite: S (5.203, 4.944, 19.79) [0.2562, 0.2434, 0.9744]\n", + " PeriodicSite: S (5.256, 5.044, 10.29) [0.2587, 0.2483, 0.5065]\n", + " PeriodicSite: S (4.956, 15.36, 0.4768) [0.244, 0.7562, 0.02348]\n", + " PeriodicSite: S (5.055, 15.32, 10.34) [0.2489, 0.7542, 0.5089]\n", + " PeriodicSite: S (14.93, 5.195, 20.22) [0.735, 0.2557, 0.9954]\n", + " PeriodicSite: S (15.21, 5.294, 9.908) [0.7488, 0.2606, 0.4878]\n", + " PeriodicSite: S (15.06, 15.1, 0.1883) [0.7416, 0.7435, 0.009273]\n", + " PeriodicSite: S (15.33, 15.33, 10.11) [0.7548, 0.7545, 0.4978]\n", + " PeriodicSite: S (8.907, 3.452, 8.541) [0.4385, 0.17, 0.4205]\n", + " PeriodicSite: S (9.312, 3.661, 19.33) [0.4585, 0.1802, 0.9516]\n", + " PeriodicSite: S (9.067, 13.78, 8.852) [0.4464, 0.6784, 0.4358]\n", + " PeriodicSite: S (8.85, 14.32, 18.7) [0.4357, 0.7051, 0.9208]\n", + " PeriodicSite: S (18.88, 3.872, 9.257) [0.9296, 0.1906, 0.4557]\n", + " PeriodicSite: S (18.96, 3.959, 19.07) [0.9335, 0.1949, 0.9389]\n", + " PeriodicSite: S (18.87, 13.93, 8.863) [0.929, 0.6858, 0.4363]\n", + " PeriodicSite: S (19.39, 13.99, 19.23) [0.9545, 0.6889, 0.9468]\n", + " PeriodicSite: S (3.908, 0.9857, 0.9851) [0.1924, 0.04853, 0.0485]\n", + " PeriodicSite: S (3.963, 0.9972, 11.06) [0.1951, 0.04909, 0.5446]\n", + " PeriodicSite: S (3.894, 11.57, 1.621) [0.1917, 0.5698, 0.07982]\n", + " PeriodicSite: S (4.431, 11.73, 11.47) [0.2182, 0.5773, 0.5645]\n", + " PeriodicSite: S (13.89, 1.32, 0.9192) [0.6837, 0.06499, 0.04526]\n", + " PeriodicSite: S (14.41, 1.616, 11.47) [0.7097, 0.07953, 0.5646]\n", + " PeriodicSite: S (13.94, 11.26, 1.42) [0.6863, 0.5543, 0.06991]\n", + " PeriodicSite: S (14.2, 11.43, 11.43) [0.6993, 0.5625, 0.5628]\n", + " PeriodicSite: S (6.758, 0.8481, 9.056) [0.3327, 0.04175, 0.4458]\n", + " PeriodicSite: S (6.412, 0.8588, 19.21) [0.3157, 0.04228, 0.9457]\n", + " PeriodicSite: S (6.509, 11.12, 8.876) [0.3204, 0.5475, 0.437]\n", + " PeriodicSite: S (5.694, 11.41, 19.11) [0.2803, 0.5619, 0.9406]\n", + " PeriodicSite: S (16.57, 1.306, 8.788) [0.8158, 0.06428, 0.4327]\n", + " PeriodicSite: S (16.29, 1.213, 19.15) [0.8019, 0.05969, 0.9429]\n", + " PeriodicSite: S (16.15, 11.36, 8.765) [0.7952, 0.5591, 0.4315]\n", + " PeriodicSite: S (16.25, 11.63, 19.22) [0.8001, 0.5727, 0.9463]\n", + " PeriodicSite: S (0.8783, 4.189, 1.37) [0.04324, 0.2062, 0.06745]\n", + " PeriodicSite: S (1.014, 3.824, 11.45) [0.04991, 0.1882, 0.5635]\n", + " PeriodicSite: S (1.546, 13.75, 1.079) [0.07611, 0.6771, 0.05311]\n", + " PeriodicSite: S (0.9474, 13.68, 11.07) [0.04664, 0.6735, 0.5452]\n", + " PeriodicSite: S (11.38, 4.518, 1.63) [0.5605, 0.2224, 0.08027]\n", + " PeriodicSite: S (11.08, 4.017, 11.1) [0.5456, 0.1978, 0.5466]\n", + " PeriodicSite: S (11.06, 13.78, 0.9473) [0.5445, 0.6786, 0.04664]\n", + " PeriodicSite: S (11.21, 13.29, 11.44) [0.5519, 0.6542, 0.563]\n", + " PeriodicSite: S (2.538, 2.378, 18.12) [0.125, 0.1171, 0.8919]\n", + " PeriodicSite: S (2.445, 12.0, 7.497) [0.1204, 0.5909, 0.3691]\n", + " PeriodicSite: S (12.74, 2.578, 7.549) [0.627, 0.1269, 0.3717]\n", + " PeriodicSite: S (8.933, 9.241, 3.761) [0.4398, 0.455, 0.1851]\n", + " PeriodicSite: S (8.78, 9.003, 14.09) [0.4322, 0.4432, 0.6938]\n", + " PeriodicSite: S (8.816, 18.65, 4.27) [0.434, 0.9182, 0.2102]\n", + " PeriodicSite: S (8.999, 19.36, 13.53) [0.443, 0.9532, 0.6662]\n", + " PeriodicSite: S (19.04, 8.755, 3.578) [0.9374, 0.431, 0.1761]\n", + " PeriodicSite: S (18.9, 8.987, 14.21) [0.9304, 0.4424, 0.6994]\n", + " PeriodicSite: S (18.62, 19.11, 4.359) [0.9169, 0.9408, 0.2146]\n", + " PeriodicSite: S (19.24, 19.04, 14.19) [0.9471, 0.9376, 0.6985]\n", + " PeriodicSite: S (3.875, 6.028, 6.191) [0.1908, 0.2968, 0.3048]\n", + " PeriodicSite: S (3.896, 6.217, 16.49) [0.1918, 0.3061, 0.8117]\n", + " PeriodicSite: S (3.775, 16.16, 6.394) [0.1858, 0.7956, 0.3148]\n", + " PeriodicSite: S (4.038, 16.52, 16.38) [0.1988, 0.8135, 0.8064]\n", + " PeriodicSite: S (14.03, 6.344, 6.15) [0.6908, 0.3123, 0.3028]\n", + " PeriodicSite: S (14.11, 6.611, 16.29) [0.6948, 0.3255, 0.8021]\n", + " PeriodicSite: S (13.53, 16.35, 6.026) [0.6659, 0.8047, 0.2967]\n", + " PeriodicSite: S (14.3, 16.69, 16.53) [0.7038, 0.8217, 0.8137]\n", + " PeriodicSite: S (6.124, 6.122, 3.657) [0.3015, 0.3014, 0.1801]\n", + " PeriodicSite: S (6.13, 6.291, 14.11) [0.3018, 0.3097, 0.6946]\n", + " PeriodicSite: S (6.162, 16.28, 4.115) [0.3033, 0.8016, 0.2026]\n", + " PeriodicSite: S (6.219, 16.47, 13.85) [0.3062, 0.8108, 0.682]\n", + " PeriodicSite: S (16.35, 6.006, 3.77) [0.805, 0.2957, 0.1856]\n", + " PeriodicSite: S (16.39, 6.713, 13.9) [0.8068, 0.3305, 0.6845]\n", + " PeriodicSite: S (16.39, 16.56, 4.125) [0.807, 0.8154, 0.2031]\n", + " PeriodicSite: S (16.69, 16.45, 14.17) [0.8219, 0.8097, 0.6975]\n", + " PeriodicSite: S (1.013, 8.676, 5.913) [0.04987, 0.4271, 0.2911]\n", + " PeriodicSite: S (1.12, 8.667, 16.07) [0.05514, 0.4267, 0.7913]\n", + " PeriodicSite: S (1.005, 19.01, 6.374) [0.04947, 0.9358, 0.3138]\n", + " PeriodicSite: S (1.221, 18.83, 16.48) [0.06012, 0.9272, 0.8111]\n", + " PeriodicSite: S (11.29, 8.98, 6.07) [0.5557, 0.4421, 0.2988]\n", + " PeriodicSite: S (11.5, 8.948, 16.4) [0.5661, 0.4405, 0.8076]\n", + " PeriodicSite: S (11.09, 19.17, 6.681) [0.546, 0.9438, 0.3289]\n", + " PeriodicSite: S (11.29, 19.19, 16.15) [0.5558, 0.9449, 0.795]\n", + " PeriodicSite: S (2.645, 17.53, 2.955) [0.1302, 0.8632, 0.1455]\n", + " PeriodicSite: S (2.594, 17.61, 12.73) [0.1277, 0.8669, 0.6266]\n", + " PeriodicSite: S (12.39, 7.607, 12.35) [0.6098, 0.3745, 0.6078]\n", + " PeriodicSite: S (12.76, 18.0, 2.671) [0.6283, 0.8861, 0.1315]\n", + " PeriodicSite: S (3.779, 3.856, 3.761) [0.186, 0.1898, 0.1852]\n", + " PeriodicSite: S (3.469, 4.257, 13.85) [0.1708, 0.2096, 0.6816]\n", + " PeriodicSite: S (4.151, 13.49, 4.403) [0.2043, 0.6643, 0.2168]\n", + " PeriodicSite: S (3.822, 13.96, 14.17) [0.1882, 0.6874, 0.6974]\n", + " PeriodicSite: S (13.76, 3.9, 4.007) [0.6776, 0.192, 0.1973]\n", + " PeriodicSite: S (13.77, 4.441, 13.97) [0.6782, 0.2186, 0.6879]\n", + " PeriodicSite: S (14.22, 14.18, 3.516) [0.6998, 0.6979, 0.1731]\n", + " PeriodicSite: S (14.17, 14.19, 14.08) [0.6977, 0.6987, 0.6932]\n", + " PeriodicSite: S (8.82, 1.303, 6.366) [0.4342, 0.06415, 0.3134]\n", + " PeriodicSite: S (9.144, 1.395, 16.11) [0.4502, 0.06867, 0.7933]\n", + " PeriodicSite: S (9.234, 11.34, 6.458) [0.4546, 0.5584, 0.3179]\n", + " PeriodicSite: S (9.091, 11.17, 16.55) [0.4476, 0.5498, 0.8147]\n", + " PeriodicSite: S (19.19, 1.089, 6.846) [0.9448, 0.05358, 0.337]\n", + " PeriodicSite: S (19.3, 1.069, 16.59) [0.9503, 0.05263, 0.817]\n", + " PeriodicSite: S (19.05, 11.01, 6.377) [0.9379, 0.5422, 0.314]\n", + " PeriodicSite: S (19.49, 11.63, 16.56) [0.9597, 0.5727, 0.8152]\n", + " PeriodicSite: S (0.9034, 1.037, 4.139) [0.04448, 0.05107, 0.2038]\n", + " PeriodicSite: S (1.481, 1.222, 14.11) [0.07291, 0.06018, 0.6948]\n", + " PeriodicSite: S (0.8805, 11.19, 3.931) [0.04334, 0.551, 0.1935]\n", + " PeriodicSite: S (1.295, 11.36, 14.18) [0.06375, 0.5591, 0.6981]\n", + " PeriodicSite: S (11.01, 0.7442, 3.887) [0.5419, 0.03663, 0.1914]\n", + " PeriodicSite: S (11.75, 1.354, 13.91) [0.5787, 0.06665, 0.6849]\n", + " PeriodicSite: S (11.37, 11.69, 3.929) [0.5595, 0.5757, 0.1934]\n", + " PeriodicSite: S (11.32, 11.23, 13.87) [0.5572, 0.5528, 0.683]\n", + " PeriodicSite: S (6.591, 3.595, 5.71) [0.3245, 0.177, 0.2811]\n", + " PeriodicSite: S (5.989, 3.544, 16.05) [0.2949, 0.1745, 0.79]\n", + " PeriodicSite: S (6.38, 14.0, 6.698) [0.3141, 0.689, 0.3297]\n", + " PeriodicSite: S (6.36, 14.07, 16.22) [0.3131, 0.6925, 0.7987]\n", + " PeriodicSite: S (16.26, 3.79, 6.208) [0.8006, 0.1866, 0.3056]\n", + " PeriodicSite: S (16.49, 4.157, 15.82) [0.8119, 0.2047, 0.7787]\n", + " PeriodicSite: S (15.77, 14.05, 6.323) [0.7766, 0.6916, 0.3113]\n", + " PeriodicSite: S (16.55, 14.17, 16.34) [0.8148, 0.6975, 0.8044]\n", + " PeriodicSite: S (7.556, 2.748, 12.56) [0.372, 0.1353, 0.6181]\n", + " PeriodicSite: S (7.438, 12.73, 2.694) [0.3662, 0.627, 0.1326]\n", + " PeriodicSite: S (17.24, 2.501, 2.514) [0.8488, 0.1231, 0.1238]\n", + " PeriodicSite: S (17.71, 12.61, 2.959) [0.8718, 0.6206, 0.1457]\n", + " PeriodicSite: S (17.58, 12.9, 12.46) [0.8654, 0.635, 0.6134]\n", + " PeriodicSite: S (3.879, 9.078, 9.422) [0.191, 0.4469, 0.4639]\n", + " PeriodicSite: S (3.332, 9.182, 19.21) [0.164, 0.452, 0.9459]\n", + " PeriodicSite: S (4.019, 18.96, 8.761) [0.1978, 0.9333, 0.4313]\n", + " PeriodicSite: S (4.027, 18.97, 18.86) [0.1983, 0.934, 0.9285]\n", + " PeriodicSite: S (14.02, 8.973, 9.189) [0.69, 0.4417, 0.4524]\n", + " PeriodicSite: S (14.04, 9.238, 19.23) [0.6914, 0.4548, 0.9467]\n", + " PeriodicSite: S (13.9, 19.4, 9.282) [0.6844, 0.955, 0.457]\n", + " PeriodicSite: S (14.18, 19.09, 19.01) [0.6983, 0.9398, 0.936]\n", + " PeriodicSite: S (8.745, 6.502, 0.9634) [0.4305, 0.3201, 0.04743]\n", + " PeriodicSite: S (8.817, 6.2, 10.68) [0.4341, 0.3052, 0.5258]\n", + " PeriodicSite: S (8.62, 16.56, 0.6964) [0.4244, 0.8155, 0.03429]\n", + " PeriodicSite: S (9.226, 15.86, 11.57) [0.4542, 0.7809, 0.5697]\n", + " PeriodicSite: S (19.02, 6.5, 1.186) [0.9364, 0.32, 0.0584]\n", + " PeriodicSite: S (19.06, 6.239, 11.72) [0.9381, 0.3072, 0.5768]\n", + " PeriodicSite: S (19.35, 16.29, 1.254) [0.9527, 0.802, 0.06173]\n", + " PeriodicSite: S (19.25, 16.26, 11.46) [0.9477, 0.8004, 0.5643]\n", + " PeriodicSite: S (0.848, 6.109, 8.9) [0.04175, 0.3008, 0.4382]\n", + " PeriodicSite: S (1.158, 6.337, 19.46) [0.05704, 0.312, 0.9578]\n", + " PeriodicSite: S (0.8042, 16.29, 8.805) [0.03959, 0.8018, 0.4335]\n", + " PeriodicSite: S (1.317, 16.65, 19.32) [0.06485, 0.8195, 0.9513]\n", + " PeriodicSite: S (11.42, 5.916, 8.608) [0.562, 0.2912, 0.4238]\n", + " PeriodicSite: S (11.12, 6.476, 18.99) [0.5474, 0.3188, 0.9351]\n", + " PeriodicSite: S (11.49, 16.09, 9.144) [0.5657, 0.7923, 0.4502]\n", + " PeriodicSite: S (11.32, 16.54, 18.96) [0.5575, 0.8142, 0.9332]\n", + " PeriodicSite: S (5.726, 8.954, 1.308) [0.2819, 0.4408, 0.06441]\n", + " PeriodicSite: S (6.216, 8.867, 11.58) [0.306, 0.4365, 0.5699]\n", + " PeriodicSite: S (6.206, 18.74, 1.178) [0.3055, 0.9226, 0.05801]\n", + " PeriodicSite: S (6.358, 19.11, 11.4) [0.313, 0.941, 0.561]\n", + " PeriodicSite: S (16.33, 9.019, 1.12) [0.8041, 0.444, 0.05513]\n", + " PeriodicSite: S (16.68, 9.198, 11.35) [0.8213, 0.4528, 0.5589]\n", + " PeriodicSite: S (16.2, 18.97, 1.17) [0.7977, 0.9338, 0.05761]\n", + " PeriodicSite: S (16.6, 19.39, 11.36) [0.8171, 0.9548, 0.5593]\n", + " PeriodicSite: S (7.151, 7.856, 17.77) [0.352, 0.3868, 0.8747]\n", + " PeriodicSite: S (7.631, 17.42, 7.507) [0.3757, 0.8575, 0.3696]\n", + " PeriodicSite: S (17.72, 7.376, 7.617) [0.8722, 0.3631, 0.375]\n", + " PeriodicSite: S (17.73, 17.82, 8.03) [0.8728, 0.8775, 0.3953]\n", + " PeriodicSite: P (5.118, 20.08, 20.25) [0.2519, 0.9888, 0.997]\n", + " PeriodicSite: P (5.179, 20.09, 9.947) [0.255, 0.9893, 0.4897]\n", + " PeriodicSite: P (4.605, 10.32, 0.08443) [0.2267, 0.5082, 0.004159]\n", + " PeriodicSite: P (5.183, 10.26, 10.37) [0.2552, 0.5052, 0.5104]\n", + " PeriodicSite: P (15.23, 0.04272, 20.27) [0.75, 0.002098, 0.9982]\n", + " PeriodicSite: P (15.38, 0.2722, 10.08) [0.7572, 0.01339, 0.4963]\n", + " PeriodicSite: P (15.22, 10.23, 0.1001) [0.7493, 0.5034, 0.004934]\n", + " PeriodicSite: P (15.35, 10.18, 10.2) [0.7558, 0.501, 0.5023]\n", + " PeriodicSite: P (5.023, 4.865, 4.936) [0.2473, 0.2395, 0.243]\n", + " PeriodicSite: P (4.861, 4.999, 15.08) [0.2393, 0.2461, 0.7424]\n", + " PeriodicSite: P (5.161, 15.03, 5.331) [0.2541, 0.7398, 0.2624]\n", + " PeriodicSite: P (5.014, 15.18, 15.12) [0.2469, 0.7474, 0.7444]\n", + " PeriodicSite: P (15.07, 5.013, 5.095) [0.742, 0.2468, 0.2508]\n", + " PeriodicSite: P (15.17, 5.384, 15.05) [0.7468, 0.265, 0.7409]\n", + " PeriodicSite: P (15.14, 15.26, 5.056) [0.7453, 0.7513, 0.2489]\n", + " PeriodicSite: P (15.39, 15.34, 15.32) [0.7575, 0.7552, 0.7544]\n", + " PeriodicSite: P (20.05, 20.19, 5.346) [0.9868, 0.994, 0.2632]\n", + " PeriodicSite: P (0.07241, 20.23, 15.29) [0.003559, 0.9962, 0.7529]\n", + " PeriodicSite: P (20.06, 9.836, 4.955) [0.9876, 0.4843, 0.2439]\n", + " PeriodicSite: P (20.28, 10.13, 15.29) [0.9983, 0.4985, 0.7529]\n", + " PeriodicSite: P (9.841, 20.18, 5.278) [0.4845, 0.9934, 0.2599]\n", + " PeriodicSite: P (10.25, 0.1204, 14.89) [0.5048, 0.005925, 0.7329]\n", + " PeriodicSite: P (10.24, 10.29, 4.901) [0.504, 0.5064, 0.2413]\n", + " PeriodicSite: P (10.23, 10.09, 15.27) [0.5037, 0.4968, 0.7518]\n", + " PeriodicSite: P (20.05, 5.232, 20.28) [0.9873, 0.2576, 0.9983]\n", + " PeriodicSite: P (20.12, 5.03, 10.33) [0.9906, 0.2476, 0.5088]\n", + " PeriodicSite: P (0.2407, 15.17, 0.08695) [0.01185, 0.747, 0.004282]\n", + " PeriodicSite: P (20.02, 15.06, 10.06) [0.9857, 0.7413, 0.4951]\n", + " PeriodicSite: P (10.26, 5.263, 0.1399) [0.5051, 0.2591, 0.006889]\n", + " PeriodicSite: P (9.942, 4.804, 9.732) [0.4894, 0.2365, 0.4791]\n", + " PeriodicSite: P (9.975, 15.3, 20.07) [0.4911, 0.7531, 0.9882]\n", + " PeriodicSite: P (10.36, 14.74, 10.18) [0.5099, 0.7259, 0.5012],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.281, 5.976, 4.776) [0.1123, 0.2942, 0.2351]\n", + " PeriodicSite: Li (0.6495, 3.301, 13.74) [0.03198, 0.1625, 0.6765]\n", + " PeriodicSite: Li (0.2495, 12.53, 7.95) [0.01228, 0.6167, 0.3914]\n", + " PeriodicSite: Li (1.184, 13.0, 15.57) [0.05827, 0.6402, 0.7666]\n", + " PeriodicSite: Li (14.15, 0.5486, 7.183) [0.6965, 0.027, 0.3537]\n", + " PeriodicSite: Li (11.89, 3.535, 15.54) [0.5855, 0.174, 0.7648]\n", + " PeriodicSite: Li (14.3, 12.45, 4.433) [0.7039, 0.6128, 0.2182]\n", + " PeriodicSite: Li (15.75, 8.251, 15.3) [0.7752, 0.4062, 0.7533]\n", + " PeriodicSite: Li (3.909, 4.238, 8.267) [0.1924, 0.2086, 0.407]\n", + " PeriodicSite: Li (2.208, 1.814, 19.74) [0.1087, 0.08929, 0.9716]\n", + " PeriodicSite: Li (3.886, 8.611, 3.637) [0.1913, 0.4239, 0.1791]\n", + " PeriodicSite: Li (6.493, 9.856, 17.38) [0.3197, 0.4852, 0.8556]\n", + " PeriodicSite: Li (12.36, 4.664, 6.488) [0.6085, 0.2296, 0.3194]\n", + " PeriodicSite: Li (12.92, 0.1387, 15.84) [0.6359, 0.006826, 0.78]\n", + " PeriodicSite: Li (10.7, 9.186, 12.85) [0.5268, 0.4522, 0.6327]\n", + " PeriodicSite: Li (8.528, 18.75, 20.0) [0.4198, 0.923, 0.9849]\n", + " PeriodicSite: Li (6.084, 1.334, 6.464) [0.2995, 0.06568, 0.3182]\n", + " PeriodicSite: Li (3.422, 19.98, 13.39) [0.1684, 0.9838, 0.6591]\n", + " PeriodicSite: Li (2.679, 10.16, 6.288) [0.1319, 0.5003, 0.3096]\n", + " PeriodicSite: Li (6.323, 10.81, 13.04) [0.3113, 0.5323, 0.6417]\n", + " PeriodicSite: Li (12.2, 1.2, 10.13) [0.6006, 0.05907, 0.4988]\n", + " PeriodicSite: Li (10.68, 1.744, 18.88) [0.526, 0.08585, 0.9296]\n", + " PeriodicSite: Li (13.75, 14.5, 8.245) [0.6768, 0.7138, 0.4059]\n", + " PeriodicSite: Li (12.39, 9.984, 2.441) [0.6101, 0.4915, 0.1202]\n", + " PeriodicSite: Li (0.4267, 3.649, 7.636) [0.02101, 0.1796, 0.3759]\n", + " PeriodicSite: Li (0.3207, 3.143, 17.55) [0.01579, 0.1547, 0.8642]\n", + " PeriodicSite: Li (1.756, 12.65, 5.395) [0.08646, 0.6227, 0.2656]\n", + " PeriodicSite: Li (4.135, 16.3, 18.84) [0.2036, 0.8022, 0.9276]\n", + " PeriodicSite: Li (12.56, 1.857, 5.542) [0.6182, 0.09143, 0.2729]\n", + " PeriodicSite: Li (15.11, 2.308, 17.43) [0.7441, 0.1136, 0.8582]\n", + " PeriodicSite: Li (12.13, 11.11, 9.684) [0.5972, 0.5468, 0.4767]\n", + " PeriodicSite: Li (15.97, 17.23, 19.19) [0.7863, 0.8483, 0.9447]\n", + " PeriodicSite: Li (5.617, 2.177, 3.786) [0.2765, 0.1072, 0.1864]\n", + " PeriodicSite: Li (20.07, 17.68, 2.873) [0.9882, 0.8704, 0.1414]\n", + " PeriodicSite: Li (2.905, 14.45, 8.638) [0.143, 0.7115, 0.4253]\n", + " PeriodicSite: Li (1.498, 17.28, 14.93) [0.07373, 0.8509, 0.7349]\n", + " PeriodicSite: Li (14.84, 3.565, 8.044) [0.7304, 0.1755, 0.396]\n", + " PeriodicSite: Li (13.53, 5.244, 18.18) [0.666, 0.2582, 0.895]\n", + " PeriodicSite: Li (16.78, 15.62, 8.459) [0.826, 0.7689, 0.4165]\n", + " PeriodicSite: Li (10.55, 11.91, 18.69) [0.5196, 0.5861, 0.92]\n", + " PeriodicSite: Li (3.156, 2.168, 5.087) [0.1554, 0.1067, 0.2504]\n", + " PeriodicSite: Li (2.974, 0.09157, 17.3) [0.1464, 0.004508, 0.8516]\n", + " PeriodicSite: Li (4.992, 11.64, 6.912) [0.2457, 0.5731, 0.3403]\n", + " PeriodicSite: Li (18.06, 14.72, 4.126) [0.889, 0.7244, 0.2031]\n", + " PeriodicSite: Li (10.51, 2.238, 8.387) [0.5175, 0.1102, 0.4129]\n", + " PeriodicSite: Li (17.55, 0.6734, 14.59) [0.8638, 0.03314, 0.7185]\n", + " PeriodicSite: Li (14.0, 10.57, 6.955) [0.6894, 0.5203, 0.3424]\n", + " PeriodicSite: Li (14.82, 11.0, 17.42) [0.7296, 0.5417, 0.8576]\n", + " PeriodicSite: Li (4.677, 12.87, 16.3) [0.2302, 0.6338, 0.8025]\n", + " PeriodicSite: Li (2.539, 10.89, 9.625) [0.125, 0.5361, 0.4739]\n", + " PeriodicSite: Li (1.963, 16.03, 4.387) [0.09662, 0.7893, 0.216]\n", + " PeriodicSite: Li (1.684, 2.103, 9.993) [0.08292, 0.1035, 0.492]\n", + " PeriodicSite: Li (14.23, 5.476, 2.323) [0.7007, 0.2696, 0.1144]\n", + " PeriodicSite: Li (12.15, 6.653, 14.97) [0.5983, 0.3275, 0.7372]\n", + " PeriodicSite: Li (10.59, 13.05, 7.079) [0.5212, 0.6427, 0.3485]\n", + " PeriodicSite: Li (13.37, 0.1285, 13.07) [0.6584, 0.006323, 0.6435]\n", + " PeriodicSite: Li (3.481, 5.139, 1.342) [0.1714, 0.253, 0.06605]\n", + " PeriodicSite: Li (2.81, 5.425, 11.32) [0.1384, 0.2671, 0.5573]\n", + " PeriodicSite: Li (6.59, 16.85, 20.05) [0.3244, 0.8293, 0.987]\n", + " PeriodicSite: Li (4.469, 18.19, 14.9) [0.22, 0.8956, 0.7335]\n", + " PeriodicSite: Li (14.22, 3.086, 20.15) [0.7, 0.1519, 0.9918]\n", + " PeriodicSite: Li (10.94, 5.883, 12.52) [0.5385, 0.2896, 0.6161]\n", + " PeriodicSite: Li (11.74, 15.77, 2.919) [0.5781, 0.7762, 0.1437]\n", + " PeriodicSite: Li (12.06, 17.18, 15.09) [0.5937, 0.8459, 0.7431]\n", + " PeriodicSite: Li (3.481, 10.3, 17.28) [0.1714, 0.5068, 0.8508]\n", + " PeriodicSite: Li (5.14, 7.426, 10.99) [0.2531, 0.3656, 0.5413]\n", + " PeriodicSite: Li (4.817, 17.14, 2.007) [0.2371, 0.8439, 0.0988]\n", + " PeriodicSite: Li (2.702, 17.59, 10.2) [0.133, 0.8658, 0.5021]\n", + " PeriodicSite: Li (11.05, 6.381, 2.969) [0.5441, 0.3142, 0.1462]\n", + " PeriodicSite: Li (14.49, 6.149, 11.88) [0.7136, 0.3027, 0.5851]\n", + " PeriodicSite: Li (10.0, 18.36, 2.519) [0.4925, 0.9041, 0.124]\n", + " PeriodicSite: Li (13.28, 15.95, 11.4) [0.654, 0.7853, 0.5614]\n", + " PeriodicSite: Li (1.862, 8.498, 0.741) [0.09165, 0.4183, 0.03648]\n", + " PeriodicSite: Li (17.14, 4.914, 8.093) [0.8438, 0.2419, 0.3984]\n", + " PeriodicSite: Li (2.616, 19.28, 4.264) [0.1288, 0.9491, 0.2099]\n", + " PeriodicSite: Li (0.6327, 19.37, 12.29) [0.03114, 0.9538, 0.6049]\n", + " PeriodicSite: Li (9.978, 7.362, 6.734) [0.4912, 0.3624, 0.3315]\n", + " PeriodicSite: Li (13.12, 12.07, 15.09) [0.6461, 0.5944, 0.7429]\n", + " PeriodicSite: Li (15.09, 16.2, 2.171) [0.7427, 0.7974, 0.1069]\n", + " PeriodicSite: Li (12.13, 15.63, 17.08) [0.5972, 0.7694, 0.8407]\n", + " PeriodicSite: Li (7.226, 8.645, 5.062) [0.3557, 0.4256, 0.2492]\n", + " PeriodicSite: Li (20.04, 12.37, 12.17) [0.9866, 0.6092, 0.5994]\n", + " PeriodicSite: Li (19.32, 16.97, 7.226) [0.9509, 0.8356, 0.3557]\n", + " PeriodicSite: Li (7.336, 18.51, 14.06) [0.3612, 0.9114, 0.6924]\n", + " PeriodicSite: Li (16.58, 9.919, 3.148) [0.8161, 0.4883, 0.155]\n", + " PeriodicSite: Li (12.24, 7.875, 10.27) [0.6027, 0.3877, 0.5058]\n", + " PeriodicSite: Li (13.32, 16.48, 0.1817) [0.6559, 0.8111, 0.008949]\n", + " PeriodicSite: Li (11.16, 18.96, 11.8) [0.5493, 0.9333, 0.5811]\n", + " PeriodicSite: Li (4.793, 2.666, 18.49) [0.236, 0.1313, 0.9101]\n", + " PeriodicSite: Li (3.259, 10.32, 13.87) [0.1604, 0.5079, 0.6826]\n", + " PeriodicSite: Li (5.141, 19.62, 2.943) [0.2531, 0.966, 0.1449]\n", + " PeriodicSite: Li (1.328, 15.56, 12.72) [0.06536, 0.7659, 0.626]\n", + " PeriodicSite: Li (14.16, 8.274, 4.554) [0.697, 0.4073, 0.2242]\n", + " PeriodicSite: Li (14.26, 9.627, 13.27) [0.702, 0.4739, 0.6535]\n", + " PeriodicSite: Li (12.97, 18.55, 4.756) [0.6386, 0.9131, 0.2341]\n", + " PeriodicSite: Li (18.24, 5.151, 13.98) [0.898, 0.2536, 0.6883]\n", + " PeriodicSite: Li (9.949, 2.112, 1.875) [0.4898, 0.104, 0.09233]\n", + " PeriodicSite: Li (9.665, 2.278, 12.56) [0.4758, 0.1122, 0.6184]\n", + " PeriodicSite: Li (7.553, 12.61, 4.64) [0.3718, 0.6206, 0.2284]\n", + " PeriodicSite: Li (7.445, 12.16, 15.36) [0.3665, 0.5987, 0.7563]\n", + " PeriodicSite: Li (18.08, 4.082, 4.055) [0.8899, 0.2009, 0.1996]\n", + " PeriodicSite: Li (13.0, 4.337, 9.561) [0.6402, 0.2135, 0.4707]\n", + " PeriodicSite: Li (19.94, 12.8, 2.365) [0.9818, 0.6301, 0.1164]\n", + " PeriodicSite: Li (17.71, 11.15, 14.23) [0.872, 0.5487, 0.7005]\n", + " PeriodicSite: Li (6.447, 18.02, 5.84) [0.3174, 0.8871, 0.2875]\n", + " PeriodicSite: Li (7.898, 3.57, 14.82) [0.3888, 0.1758, 0.7294]\n", + " PeriodicSite: Li (3.685, 13.24, 19.88) [0.1814, 0.652, 0.9789]\n", + " PeriodicSite: Li (10.06, 13.67, 13.35) [0.4953, 0.6728, 0.6572]\n", + " PeriodicSite: Li (14.53, 18.99, 2.316) [0.7151, 0.9349, 0.114]\n", + " PeriodicSite: Li (18.29, 1.261, 10.84) [0.9004, 0.06207, 0.5338]\n", + " PeriodicSite: Li (17.58, 14.76, 0.09746) [0.8656, 0.7266, 0.004804]\n", + " PeriodicSite: Li (16.76, 15.17, 11.94) [0.8253, 0.7466, 0.5876]\n", + " PeriodicSite: Li (8.215, 4.478, 4.659) [0.4044, 0.2204, 0.2294]\n", + " PeriodicSite: Li (7.759, 0.2463, 11.88) [0.382, 0.01212, 0.5849]\n", + " PeriodicSite: Li (9.762, 12.39, 1.962) [0.4806, 0.6101, 0.09661]\n", + " PeriodicSite: Li (3.638, 14.07, 11.78) [0.1791, 0.6927, 0.5801]\n", + " PeriodicSite: Li (20.19, 1.834, 2.47) [0.994, 0.0903, 0.1216]\n", + " PeriodicSite: Li (0.1279, 7.823, 12.48) [0.006299, 0.3851, 0.6145]\n", + " PeriodicSite: Li (15.55, 13.44, 1.86) [0.7656, 0.6617, 0.09158]\n", + " PeriodicSite: Li (15.52, 12.63, 13.87) [0.7641, 0.6217, 0.6829]\n", + " PeriodicSite: Li (3.21, 0.02172, 7.235) [0.158, 0.001068, 0.3562]\n", + " PeriodicSite: Li (6.319, 1.591, 14.66) [0.3111, 0.07832, 0.7218]\n", + " PeriodicSite: Li (5.291, 14.4, 2.238) [0.2605, 0.7088, 0.1102]\n", + " PeriodicSite: Li (8.342, 6.86, 15.51) [0.4107, 0.3377, 0.7634]\n", + " PeriodicSite: Li (17.55, 4.248, 1.088) [0.8642, 0.2091, 0.05356]\n", + " PeriodicSite: Li (15.41, 18.45, 13.31) [0.7588, 0.9081, 0.6553]\n", + " PeriodicSite: Li (13.47, 13.5, 19.87) [0.6634, 0.6646, 0.978]\n", + " PeriodicSite: Li (18.28, 11.81, 10.32) [0.8999, 0.5815, 0.508]\n", + " PeriodicSite: Li (8.229, 8.933, 19.81) [0.4051, 0.4398, 0.9753]\n", + " PeriodicSite: Li (4.965, 2.861, 12.05) [0.2444, 0.1408, 0.5933]\n", + " PeriodicSite: Li (7.491, 10.35, 2.592) [0.3688, 0.5093, 0.1276]\n", + " PeriodicSite: Li (9.106, 11.65, 10.92) [0.4483, 0.5738, 0.5376]\n", + " PeriodicSite: Li (15.37, 2.109, 3.867) [0.7567, 0.1038, 0.1904]\n", + " PeriodicSite: Li (16.87, 4.156, 11.04) [0.8305, 0.2046, 0.5436]\n", + " PeriodicSite: Li (0.07941, 12.07, 19.04) [0.003909, 0.5944, 0.9374]\n", + " PeriodicSite: Li (18.22, 14.83, 14.03) [0.8969, 0.73, 0.6907]\n", + " PeriodicSite: Li (6.586, 2.882, 0.4437) [0.3243, 0.1419, 0.02185]\n", + " PeriodicSite: Li (6.639, 3.298, 10.35) [0.3268, 0.1624, 0.5095]\n", + " PeriodicSite: Li (8.383, 14.94, 3.084) [0.4127, 0.7354, 0.1518]\n", + " PeriodicSite: Li (4.762, 17.09, 11.95) [0.2344, 0.8415, 0.5885]\n", + " PeriodicSite: Li (18.46, 1.804, 20.15) [0.9087, 0.08883, 0.992]\n", + " PeriodicSite: Li (2.253, 6.398, 14.69) [0.1109, 0.315, 0.7234]\n", + " PeriodicSite: Li (6.259, 13.57, 9.199) [0.3081, 0.6681, 0.4529]\n", + " PeriodicSite: Li (15.64, 13.21, 10.93) [0.7701, 0.6503, 0.5382]\n", + " PeriodicSite: Li (17.16, 12.05, 5.007) [0.845, 0.5934, 0.2465]\n", + " PeriodicSite: Li (5.526, 8.012, 16.05) [0.272, 0.3945, 0.7903]\n", + " PeriodicSite: Li (6.783, 14.82, 11.87) [0.3339, 0.7298, 0.5844]\n", + " PeriodicSite: Li (1.414, 18.86, 0.4168) [0.06959, 0.9285, 0.02052]\n", + " PeriodicSite: Li (17.12, 10.03, 7.077) [0.8428, 0.4936, 0.3484]\n", + " PeriodicSite: Li (2.765, 4.629, 17.86) [0.1361, 0.2279, 0.8792]\n", + " PeriodicSite: Li (17.02, 1.106, 5.984) [0.8379, 0.05445, 0.2946]\n", + " PeriodicSite: Li (18.85, 19.51, 18.27) [0.9282, 0.9603, 0.8992]\n", + " PeriodicSite: Li (5.708, 8.97, 7.513) [0.281, 0.4416, 0.3699]\n", + " PeriodicSite: Li (7.544, 5.725, 19.08) [0.3714, 0.2818, 0.9392]\n", + " PeriodicSite: Li (8.5, 19.73, 7.686) [0.4184, 0.9712, 0.3784]\n", + " PeriodicSite: Li (8.408, 15.68, 16.98) [0.4139, 0.7721, 0.8359]\n", + " PeriodicSite: Li (17.26, 7.147, 9.819) [0.85, 0.3518, 0.4834]\n", + " PeriodicSite: Li (18.92, 8.541, 19.96) [0.9312, 0.4205, 0.9829]\n", + " PeriodicSite: Li (19.12, 19.86, 8.091) [0.9412, 0.9779, 0.3983]\n", + " PeriodicSite: Li (19.46, 16.12, 17.17) [0.9581, 0.7937, 0.8454]\n", + " PeriodicSite: Li (7.075, 5.494, 8.685) [0.3483, 0.2705, 0.4276]\n", + " PeriodicSite: Li (3.677, 2.343, 15.41) [0.181, 0.1153, 0.7587]\n", + " PeriodicSite: Li (7.499, 17.14, 10.1) [0.3692, 0.8437, 0.4973]\n", + " PeriodicSite: Li (17.17, 10.35, 17.11) [0.8454, 0.5093, 0.8425]\n", + " PeriodicSite: Li (19.7, 8.636, 8.638) [0.9698, 0.4251, 0.4253]\n", + " PeriodicSite: Li (16.64, 6.338, 18.74) [0.8191, 0.312, 0.9227]\n", + " PeriodicSite: Li (15.42, 17.68, 9.468) [0.7591, 0.8706, 0.4661]\n", + " PeriodicSite: Li (15.49, 13.84, 18.13) [0.7626, 0.6815, 0.8923]\n", + " PeriodicSite: Li (8.337, 9.773, 8.368) [0.4104, 0.4811, 0.4119]\n", + " PeriodicSite: Li (6.857, 5.199, 1.65) [0.3376, 0.256, 0.08126]\n", + " PeriodicSite: Li (5.522, 16.86, 8.319) [0.2719, 0.83, 0.4095]\n", + " PeriodicSite: Li (7.3, 13.22, 0.02197) [0.3594, 0.6507, 0.001084]\n", + " PeriodicSite: Li (15.45, 7.405, 8.187) [0.7606, 0.3645, 0.4031]\n", + " PeriodicSite: Li (19.85, 7.274, 16.58) [0.9772, 0.3581, 0.8164]\n", + " PeriodicSite: Li (15.38, 18.38, 6.322) [0.7573, 0.9048, 0.3112]\n", + " PeriodicSite: Li (16.16, 19.39, 16.88) [0.7956, 0.9544, 0.8311]\n", + " PeriodicSite: Li (6.827, 4.945, 12.25) [0.3361, 0.2434, 0.6033]\n", + " PeriodicSite: Li (4.97, 7.032, 19.2) [0.2447, 0.3462, 0.9452]\n", + " PeriodicSite: Li (10.18, 17.25, 7.529) [0.5014, 0.8493, 0.3707]\n", + " PeriodicSite: Li (12.33, 19.28, 0.1806) [0.6071, 0.9492, 0.008898]\n", + " PeriodicSite: Li (16.83, 8.066, 5.517) [0.8288, 0.3971, 0.2716]\n", + " PeriodicSite: Li (13.78, 7.205, 0.2953) [0.6782, 0.3547, 0.01454]\n", + " PeriodicSite: Li (18.09, 17.74, 10.03) [0.8908, 0.8736, 0.4939]\n", + " PeriodicSite: Li (17.44, 0.2432, 2.847) [0.8584, 0.01197, 0.1401]\n", + " PeriodicSite: Li (4.34, 11.57, 3.367) [0.2137, 0.5694, 0.1658]\n", + " PeriodicSite: Li (9.758, 7.558, 17.83) [0.4804, 0.3721, 0.8776]\n", + " PeriodicSite: Li (8.11, 15.56, 6.738) [0.3993, 0.7663, 0.3317]\n", + " PeriodicSite: Li (5.739, 19.22, 17.2) [0.2825, 0.9464, 0.847]\n", + " PeriodicSite: Li (19.32, 6.798, 6.007) [0.9513, 0.3347, 0.2957]\n", + " PeriodicSite: Li (18.46, 10.67, 1.518) [0.909, 0.5252, 0.07475]\n", + " PeriodicSite: Li (2.169, 15.79, 1.656) [0.1068, 0.7772, 0.08153]\n", + " PeriodicSite: Li (15.75, 2.377, 13.88) [0.7752, 0.117, 0.6831]\n", + " PeriodicSite: Cl (7.698, 12.7, 12.6) [0.379, 0.625, 0.6203]\n", + " PeriodicSite: Cl (2.488, 12.39, 17.42) [0.1225, 0.6101, 0.8578]\n", + " PeriodicSite: Cl (12.9, 18.05, 12.89) [0.635, 0.8886, 0.6347]\n", + " PeriodicSite: Cl (17.77, 8.005, 17.91) [0.875, 0.3941, 0.8817]\n", + " PeriodicSite: Cl (7.557, 2.831, 2.455) [0.372, 0.1394, 0.1209]\n", + " PeriodicSite: Cl (7.502, 7.611, 7.681) [0.3693, 0.3747, 0.3781]\n", + " PeriodicSite: Cl (12.7, 12.29, 7.772) [0.6253, 0.6052, 0.3826]\n", + " PeriodicSite: Cl (2.527, 7.17, 2.551) [0.1244, 0.353, 0.1256]\n", + " PeriodicSite: Cl (2.45, 7.605, 12.73) [0.1206, 0.3744, 0.6265]\n", + " PeriodicSite: Cl (13.11, 13.39, 17.53) [0.6453, 0.6593, 0.8631]\n", + " PeriodicSite: Cl (17.63, 17.9, 17.9) [0.868, 0.8811, 0.8812]\n", + " PeriodicSite: Cl (2.632, 2.375, 7.922) [0.1296, 0.1169, 0.39]\n", + " PeriodicSite: Cl (12.74, 2.581, 17.7) [0.6272, 0.1271, 0.8712]\n", + " PeriodicSite: Cl (13.04, 7.647, 2.776) [0.6418, 0.3764, 0.1367]\n", + " PeriodicSite: Cl (17.73, 2.822, 12.82) [0.8731, 0.1389, 0.6313]\n", + " PeriodicSite: Cl (7.881, 17.69, 17.83) [0.388, 0.8707, 0.8776]\n", + " PeriodicSite: Cl (0.002704, 0.4254, 20.31) [0.0001385, 0.02094, 0.9997]\n", + " PeriodicSite: Cl (0.1346, 0.3409, 10.46) [0.006629, 0.01678, 0.5152]\n", + " PeriodicSite: Cl (20.29, 10.23, 0.1672) [0.999, 0.5035, 0.008236]\n", + " PeriodicSite: Cl (20.28, 10.43, 10.53) [0.9982, 0.5137, 0.5183]\n", + " PeriodicSite: Cl (10.28, 0.06284, 0.1494) [0.5061, 0.003089, 0.007358]\n", + " PeriodicSite: Cl (10.22, 0.4509, 10.29) [0.5033, 0.02219, 0.5066]\n", + " PeriodicSite: Cl (9.411, 10.76, 0.07543) [0.4633, 0.5297, 0.003717]\n", + " PeriodicSite: Cl (10.21, 9.603, 10.33) [0.5028, 0.4728, 0.5087]\n", + " PeriodicSite: Cl (0.309, 4.848, 5.468) [0.01521, 0.2387, 0.2692]\n", + " PeriodicSite: Cl (0.2376, 5.18, 15.25) [0.0117, 0.255, 0.7508]\n", + " PeriodicSite: Cl (20.13, 15.21, 4.886) [0.9912, 0.7487, 0.2406]\n", + " PeriodicSite: Cl (0.1608, 15.25, 15.29) [0.007915, 0.7506, 0.7529]\n", + " PeriodicSite: Cl (10.41, 5.725, 5.23) [0.5125, 0.2818, 0.2575]\n", + " PeriodicSite: Cl (10.18, 5.21, 14.95) [0.5014, 0.2565, 0.7362]\n", + " PeriodicSite: Cl (9.767, 14.97, 5.298) [0.4809, 0.7368, 0.2608]\n", + " PeriodicSite: Cl (10.58, 15.39, 15.33) [0.5209, 0.7575, 0.7547]\n", + " PeriodicSite: S (4.56, 0.0525, 5.025) [0.2245, 0.002583, 0.2474]\n", + " PeriodicSite: S (4.951, 0.04516, 15.32) [0.2437, 0.002222, 0.754]\n", + " PeriodicSite: S (5.005, 9.957, 5.302) [0.2464, 0.4902, 0.261]\n", + " PeriodicSite: S (5.545, 10.41, 15.21) [0.273, 0.5126, 0.7487]\n", + " PeriodicSite: S (14.85, 0.05412, 4.991) [0.7311, 0.002658, 0.2457]\n", + " PeriodicSite: S (15.13, 0.1924, 15.12) [0.7448, 0.009466, 0.7446]\n", + " PeriodicSite: S (15.42, 10.23, 5.109) [0.7591, 0.5036, 0.2515]\n", + " PeriodicSite: S (15.4, 10.51, 15.22) [0.7581, 0.5174, 0.7493]\n", + " PeriodicSite: S (5.39, 4.669, 0.007548) [0.2653, 0.2299, 0.0003735]\n", + " PeriodicSite: S (5.051, 4.983, 10.43) [0.2487, 0.2453, 0.5133]\n", + " PeriodicSite: S (4.985, 15.21, 0.1297) [0.2454, 0.7488, 0.006389]\n", + " PeriodicSite: S (4.826, 15.61, 10.22) [0.2376, 0.7684, 0.5033]\n", + " PeriodicSite: S (14.99, 5.268, 20.11) [0.7377, 0.2593, 0.9898]\n", + " PeriodicSite: S (15.4, 5.304, 9.682) [0.7584, 0.2611, 0.4767]\n", + " PeriodicSite: S (15.24, 15.1, 0.02571) [0.7503, 0.7432, 0.001271]\n", + " PeriodicSite: S (15.3, 15.5, 10.18) [0.753, 0.7631, 0.5013]\n", + " PeriodicSite: S (8.767, 3.698, 8.717) [0.4316, 0.1821, 0.4291]\n", + " PeriodicSite: S (9.216, 3.726, 19.57) [0.4537, 0.1834, 0.9634]\n", + " PeriodicSite: S (8.938, 13.63, 9.0) [0.44, 0.6709, 0.4431]\n", + " PeriodicSite: S (9.414, 14.09, 18.76) [0.4634, 0.6939, 0.9237]\n", + " PeriodicSite: S (19.01, 3.525, 9.38) [0.9358, 0.1735, 0.4618]\n", + " PeriodicSite: S (19.04, 4.013, 19.05) [0.9375, 0.1976, 0.938]\n", + " PeriodicSite: S (18.95, 14.06, 8.902) [0.9328, 0.692, 0.4382]\n", + " PeriodicSite: S (19.14, 14.08, 18.8) [0.9422, 0.6934, 0.9254]\n", + " PeriodicSite: S (4.138, 0.97, 1.205) [0.2037, 0.04775, 0.05931]\n", + " PeriodicSite: S (3.705, 0.9826, 11.35) [0.1824, 0.04837, 0.5588]\n", + " PeriodicSite: S (3.489, 11.32, 1.339) [0.1718, 0.5572, 0.06593]\n", + " PeriodicSite: S (4.358, 11.4, 11.69) [0.2145, 0.5614, 0.5754]\n", + " PeriodicSite: S (14.16, 0.9747, 1.229) [0.697, 0.04798, 0.06052]\n", + " PeriodicSite: S (14.2, 1.607, 11.49) [0.6988, 0.07911, 0.5656]\n", + " PeriodicSite: S (14.26, 11.37, 1.325) [0.7018, 0.5599, 0.06522]\n", + " PeriodicSite: S (14.05, 11.42, 11.34) [0.6917, 0.5623, 0.5582]\n", + " PeriodicSite: S (6.383, 1.116, 9.218) [0.3142, 0.05496, 0.4538]\n", + " PeriodicSite: S (6.34, 0.539, 18.92) [0.3121, 0.02653, 0.9316]\n", + " PeriodicSite: S (6.37, 11.01, 8.748) [0.3136, 0.5419, 0.4307]\n", + " PeriodicSite: S (5.798, 11.61, 19.1) [0.2855, 0.5716, 0.9402]\n", + " PeriodicSite: S (16.63, 1.41, 9.091) [0.8189, 0.06943, 0.4476]\n", + " PeriodicSite: S (16.43, 0.8917, 18.9) [0.8087, 0.04389, 0.9304]\n", + " PeriodicSite: S (16.19, 11.52, 8.872) [0.7972, 0.5672, 0.4368]\n", + " PeriodicSite: S (16.46, 11.66, 19.03) [0.8102, 0.5739, 0.9368]\n", + " PeriodicSite: S (1.06, 3.776, 1.105) [0.05217, 0.1859, 0.05442]\n", + " PeriodicSite: S (1.178, 3.823, 11.45) [0.05798, 0.1882, 0.5636]\n", + " PeriodicSite: S (1.235, 13.72, 0.8093) [0.06079, 0.6756, 0.03984]\n", + " PeriodicSite: S (1.502, 13.93, 10.97) [0.07397, 0.686, 0.5399]\n", + " PeriodicSite: S (11.54, 4.371, 1.525) [0.568, 0.2152, 0.0751]\n", + " PeriodicSite: S (11.19, 3.559, 11.26) [0.5509, 0.1752, 0.5546]\n", + " PeriodicSite: S (11.37, 14.3, 1.285) [0.5598, 0.704, 0.06328]\n", + " PeriodicSite: S (11.4, 13.84, 11.36) [0.5612, 0.6813, 0.5591]\n", + " PeriodicSite: S (2.59, 2.39, 17.63) [0.1275, 0.1177, 0.8678]\n", + " PeriodicSite: S (2.583, 12.12, 7.741) [0.1272, 0.5965, 0.3811]\n", + " PeriodicSite: S (12.89, 2.282, 7.775) [0.6345, 0.1123, 0.3828]\n", + " PeriodicSite: S (9.185, 8.625, 3.616) [0.4522, 0.4246, 0.178]\n", + " PeriodicSite: S (8.743, 8.923, 14.19) [0.4304, 0.4393, 0.6988]\n", + " PeriodicSite: S (8.446, 18.67, 4.269) [0.4158, 0.9189, 0.2102]\n", + " PeriodicSite: S (9.266, 19.35, 13.41) [0.4562, 0.9528, 0.6602]\n", + " PeriodicSite: S (18.87, 8.795, 3.843) [0.9292, 0.433, 0.1892]\n", + " PeriodicSite: S (19.31, 9.008, 14.18) [0.9509, 0.4434, 0.698]\n", + " PeriodicSite: S (18.7, 19.34, 4.64) [0.9205, 0.9523, 0.2284]\n", + " PeriodicSite: S (19.23, 19.18, 14.0) [0.9468, 0.9442, 0.6893]\n", + " PeriodicSite: S (4.035, 6.368, 6.173) [0.1986, 0.3135, 0.3039]\n", + " PeriodicSite: S (3.956, 6.327, 16.37) [0.1948, 0.3115, 0.806]\n", + " PeriodicSite: S (3.789, 16.55, 6.46) [0.1865, 0.8147, 0.318]\n", + " PeriodicSite: S (3.876, 16.33, 16.3) [0.1908, 0.8038, 0.8026]\n", + " PeriodicSite: S (14.24, 6.102, 6.579) [0.701, 0.3004, 0.3239]\n", + " PeriodicSite: S (14.23, 6.514, 16.26) [0.7004, 0.3207, 0.8004]\n", + " PeriodicSite: S (13.63, 16.57, 6.181) [0.6712, 0.8157, 0.3043]\n", + " PeriodicSite: S (14.22, 16.75, 16.44) [0.6999, 0.8248, 0.8095]\n", + " PeriodicSite: S (6.295, 6.287, 3.864) [0.3099, 0.3095, 0.1903]\n", + " PeriodicSite: S (6.481, 6.282, 14.27) [0.3191, 0.3092, 0.7026]\n", + " PeriodicSite: S (6.22, 16.28, 4.24) [0.3062, 0.8013, 0.2087]\n", + " PeriodicSite: S (6.03, 16.56, 13.75) [0.2969, 0.8154, 0.6771]\n", + " PeriodicSite: S (16.03, 6.142, 3.743) [0.7892, 0.3024, 0.1843]\n", + " PeriodicSite: S (16.16, 6.567, 13.62) [0.7954, 0.3233, 0.6703]\n", + " PeriodicSite: S (16.36, 16.56, 4.157) [0.8055, 0.8152, 0.2047]\n", + " PeriodicSite: S (16.55, 16.55, 13.77) [0.8147, 0.8147, 0.6778]\n", + " PeriodicSite: S (0.8388, 8.493, 6.266) [0.04129, 0.4181, 0.3085]\n", + " PeriodicSite: S (1.435, 8.94, 16.44) [0.07064, 0.4401, 0.8092]\n", + " PeriodicSite: S (0.9022, 19.09, 6.845) [0.04441, 0.9398, 0.337]\n", + " PeriodicSite: S (1.01, 19.09, 16.92) [0.04971, 0.9396, 0.8329]\n", + " PeriodicSite: S (11.38, 9.129, 6.328) [0.5602, 0.4494, 0.3116]\n", + " PeriodicSite: S (11.17, 8.734, 16.36) [0.5501, 0.43, 0.8052]\n", + " PeriodicSite: S (11.04, 19.36, 6.456) [0.5436, 0.9533, 0.3178]\n", + " PeriodicSite: S (11.02, 19.21, 16.48) [0.5424, 0.9459, 0.8112]\n", + " PeriodicSite: S (2.293, 17.92, 2.572) [0.1129, 0.8824, 0.1266]\n", + " PeriodicSite: S (2.518, 17.81, 12.74) [0.124, 0.8769, 0.6273]\n", + " PeriodicSite: S (12.38, 7.606, 12.66) [0.6097, 0.3744, 0.623]\n", + " PeriodicSite: S (12.63, 17.56, 2.231) [0.6217, 0.8645, 0.1098]\n", + " PeriodicSite: S (3.805, 4.026, 3.589) [0.1873, 0.1982, 0.1767]\n", + " PeriodicSite: S (3.694, 4.19, 13.93) [0.1818, 0.2063, 0.6858]\n", + " PeriodicSite: S (3.592, 14.1, 4.165) [0.1768, 0.6941, 0.205]\n", + " PeriodicSite: S (4.048, 13.86, 14.2) [0.1993, 0.6825, 0.6991]\n", + " PeriodicSite: S (13.47, 3.946, 4.212) [0.6632, 0.1943, 0.2074]\n", + " PeriodicSite: S (14.08, 4.041, 13.83) [0.6934, 0.199, 0.6809]\n", + " PeriodicSite: S (13.86, 14.43, 3.517) [0.6824, 0.7104, 0.1732]\n", + " PeriodicSite: S (13.77, 14.47, 13.85) [0.678, 0.7123, 0.682]\n", + " PeriodicSite: S (8.455, 1.038, 6.112) [0.4163, 0.0511, 0.3009]\n", + " PeriodicSite: S (8.629, 1.375, 15.89) [0.4248, 0.0677, 0.7823]\n", + " PeriodicSite: S (8.731, 10.93, 6.122) [0.4298, 0.5379, 0.3014]\n", + " PeriodicSite: S (9.033, 11.25, 16.76) [0.4447, 0.5538, 0.825]\n", + " PeriodicSite: S (19.24, 1.496, 6.518) [0.9473, 0.07363, 0.3209]\n", + " PeriodicSite: S (18.98, 1.033, 16.39) [0.9347, 0.05083, 0.8071]\n", + " PeriodicSite: S (19.13, 11.13, 6.262) [0.9419, 0.548, 0.3083]\n", + " PeriodicSite: S (19.36, 11.42, 16.44) [0.9531, 0.5623, 0.8094]\n", + " PeriodicSite: S (1.249, 0.8728, 4.266) [0.06151, 0.04297, 0.21]\n", + " PeriodicSite: S (1.519, 0.8399, 14.16) [0.07477, 0.04135, 0.6971]\n", + " PeriodicSite: S (1.26, 10.84, 3.916) [0.06205, 0.5338, 0.1928]\n", + " PeriodicSite: S (1.187, 11.39, 13.9) [0.05842, 0.561, 0.6843]\n", + " PeriodicSite: S (11.16, 0.6196, 3.688) [0.5496, 0.0305, 0.1815]\n", + " PeriodicSite: S (11.45, 1.27, 14.05) [0.5636, 0.06253, 0.6916]\n", + " PeriodicSite: S (11.23, 11.33, 3.948) [0.5529, 0.5578, 0.1944]\n", + " PeriodicSite: S (11.06, 11.23, 14.13) [0.5446, 0.5528, 0.6955]\n", + " PeriodicSite: S (6.199, 3.81, 6.002) [0.3052, 0.1876, 0.2955]\n", + " PeriodicSite: S (6.019, 3.486, 16.4) [0.2963, 0.1716, 0.8074]\n", + " PeriodicSite: S (6.085, 13.86, 6.581) [0.2996, 0.6824, 0.324]\n", + " PeriodicSite: S (6.686, 14.5, 16.26) [0.3291, 0.7138, 0.8005]\n", + " PeriodicSite: S (16.53, 3.849, 5.839) [0.8136, 0.1895, 0.2875]\n", + " PeriodicSite: S (16.55, 4.319, 16.13) [0.8146, 0.2126, 0.7943]\n", + " PeriodicSite: S (16.01, 14.07, 6.311) [0.7881, 0.6925, 0.3107]\n", + " PeriodicSite: S (16.44, 14.26, 15.99) [0.8095, 0.7018, 0.7872]\n", + " PeriodicSite: S (7.157, 2.482, 12.58) [0.3524, 0.1222, 0.6195]\n", + " PeriodicSite: S (7.197, 12.85, 2.432) [0.3543, 0.6326, 0.1197]\n", + " PeriodicSite: S (17.75, 2.38, 2.512) [0.8741, 0.1172, 0.1237]\n", + " PeriodicSite: S (17.68, 12.68, 2.757) [0.8703, 0.624, 0.1357]\n", + " PeriodicSite: S (17.77, 12.89, 12.43) [0.8748, 0.6347, 0.6118]\n", + " PeriodicSite: S (3.797, 8.921, 9.448) [0.1869, 0.4392, 0.4651]\n", + " PeriodicSite: S (3.663, 9.1, 19.09) [0.1803, 0.448, 0.9399]\n", + " PeriodicSite: S (4.147, 18.87, 8.785) [0.2042, 0.9288, 0.4325]\n", + " PeriodicSite: S (3.787, 18.73, 19.34) [0.1864, 0.9219, 0.9521]\n", + " PeriodicSite: S (13.77, 9.165, 8.874) [0.6781, 0.4512, 0.4369]\n", + " PeriodicSite: S (14.07, 9.431, 19.01) [0.6928, 0.4643, 0.9357]\n", + " PeriodicSite: S (13.84, 19.61, 9.182) [0.6815, 0.9656, 0.4521]\n", + " PeriodicSite: S (14.13, 19.04, 18.9) [0.6957, 0.9374, 0.9305]\n", + " PeriodicSite: S (8.926, 6.47, 0.98) [0.4394, 0.3185, 0.04825]\n", + " PeriodicSite: S (8.944, 5.996, 11.19) [0.4403, 0.2952, 0.551]\n", + " PeriodicSite: S (8.935, 16.69, 0.9837) [0.4399, 0.8218, 0.04843]\n", + " PeriodicSite: S (8.848, 16.08, 11.7) [0.4356, 0.7916, 0.576]\n", + " PeriodicSite: S (18.94, 6.311, 1.132) [0.9326, 0.3107, 0.05572]\n", + " PeriodicSite: S (18.88, 6.308, 11.25) [0.9293, 0.3105, 0.5538]\n", + " PeriodicSite: S (19.09, 16.04, 1.122) [0.94, 0.7896, 0.05526]\n", + " PeriodicSite: S (19.22, 16.07, 11.39) [0.9463, 0.7914, 0.5608]\n", + " PeriodicSite: S (1.092, 5.842, 9.017) [0.05376, 0.2876, 0.4439]\n", + " PeriodicSite: S (1.229, 6.167, 19.25) [0.0605, 0.3036, 0.9477]\n", + " PeriodicSite: S (0.9615, 16.38, 8.711) [0.04733, 0.8066, 0.4288]\n", + " PeriodicSite: S (1.213, 16.52, 19.03) [0.0597, 0.8133, 0.9369]\n", + " PeriodicSite: S (11.28, 5.995, 8.877) [0.5554, 0.2951, 0.437]\n", + " PeriodicSite: S (11.28, 6.316, 19.11) [0.5551, 0.3109, 0.941]\n", + " PeriodicSite: S (11.21, 16.18, 9.233) [0.5518, 0.7964, 0.4546]\n", + " PeriodicSite: S (11.56, 16.71, 19.01) [0.569, 0.8227, 0.9359]\n", + " PeriodicSite: S (6.143, 8.984, 0.8887) [0.3024, 0.4423, 0.04375]\n", + " PeriodicSite: S (6.76, 8.942, 11.39) [0.3328, 0.4402, 0.5609]\n", + " PeriodicSite: S (6.425, 18.8, 1.076) [0.3163, 0.9255, 0.05297]\n", + " PeriodicSite: S (6.057, 18.98, 11.53) [0.2982, 0.9346, 0.5678]\n", + " PeriodicSite: S (16.67, 8.962, 0.7941) [0.8204, 0.4412, 0.0391]\n", + " PeriodicSite: S (16.44, 9.098, 11.27) [0.8093, 0.4479, 0.5549]\n", + " PeriodicSite: S (16.46, 19.03, 1.021) [0.8104, 0.9367, 0.05026]\n", + " PeriodicSite: S (16.52, 19.4, 11.39) [0.8134, 0.9551, 0.5606]\n", + " PeriodicSite: S (7.54, 7.65, 17.87) [0.3712, 0.3766, 0.8799]\n", + " PeriodicSite: S (7.882, 17.47, 7.886) [0.388, 0.8603, 0.3882]\n", + " PeriodicSite: S (17.81, 7.544, 7.611) [0.8768, 0.3714, 0.3747]\n", + " PeriodicSite: S (17.31, 17.99, 7.969) [0.8524, 0.8859, 0.3923]\n", + " PeriodicSite: P (5.129, 19.95, 0.01381) [0.2525, 0.9823, 0.0006829]\n", + " PeriodicSite: P (4.965, 20.11, 10.14) [0.2444, 0.9902, 0.4993]\n", + " PeriodicSite: P (4.785, 10.3, 0.1106) [0.2355, 0.5069, 0.005446]\n", + " PeriodicSite: P (5.382, 10.1, 10.35) [0.265, 0.4971, 0.5096]\n", + " PeriodicSite: P (15.21, 20.11, 20.24) [0.7487, 0.99, 0.9962]\n", + " PeriodicSite: P (15.25, 0.3317, 10.31) [0.7507, 0.01633, 0.5074]\n", + " PeriodicSite: P (15.4, 10.36, 20.21) [0.7583, 0.5099, 0.9951]\n", + " PeriodicSite: P (15.18, 10.24, 10.1) [0.7471, 0.5042, 0.4975]\n", + " PeriodicSite: P (5.03, 5.148, 5.005) [0.2476, 0.2534, 0.2464]\n", + " PeriodicSite: P (5.153, 5.037, 15.33) [0.2537, 0.248, 0.7546]\n", + " PeriodicSite: P (4.852, 15.12, 5.435) [0.2389, 0.7442, 0.2676]\n", + " PeriodicSite: P (5.245, 15.32, 15.14) [0.2582, 0.7544, 0.7453]\n", + " PeriodicSite: P (15.02, 4.988, 5.014) [0.7396, 0.2455, 0.2468]\n", + " PeriodicSite: P (15.27, 5.349, 14.95) [0.7519, 0.2633, 0.7359]\n", + " PeriodicSite: P (14.91, 15.46, 4.989) [0.7342, 0.761, 0.2456]\n", + " PeriodicSite: P (15.13, 15.62, 14.98) [0.7448, 0.7688, 0.7374]\n", + " PeriodicSite: P (20.25, 0.01789, 5.537) [0.9969, 0.000872, 0.2726]\n", + " PeriodicSite: P (0.1699, 20.22, 15.38) [0.008361, 0.9954, 0.7572]\n", + " PeriodicSite: P (20.1, 9.848, 5.002) [0.9895, 0.4848, 0.2463]\n", + " PeriodicSite: P (0.2185, 10.19, 15.28) [0.01075, 0.5015, 0.7523]\n", + " PeriodicSite: P (9.734, 20.04, 5.012) [0.4792, 0.9866, 0.2468]\n", + " PeriodicSite: P (10.05, 0.1393, 15.05) [0.4946, 0.006854, 0.7407]\n", + " PeriodicSite: P (10.06, 9.91, 5.04) [0.4952, 0.4879, 0.2481]\n", + " PeriodicSite: P (9.981, 10.01, 15.39) [0.4914, 0.4929, 0.7575]\n", + " PeriodicSite: P (20.25, 5.022, 0.05816) [0.9969, 0.2472, 0.002869]\n", + " PeriodicSite: P (20.14, 4.993, 10.31) [0.9917, 0.2458, 0.5073]\n", + " PeriodicSite: P (0.1039, 15.09, 20.12) [0.005116, 0.7428, 0.9907]\n", + " PeriodicSite: P (0.04192, 15.1, 9.965) [0.00206, 0.7435, 0.4906]\n", + " PeriodicSite: P (10.22, 5.199, 0.1237) [0.5032, 0.2559, 0.006095]\n", + " PeriodicSite: P (10.05, 4.788, 9.931) [0.4948, 0.2357, 0.4889]\n", + " PeriodicSite: P (10.42, 15.44, 20.13) [0.5129, 0.7603, 0.9909]\n", + " PeriodicSite: P (10.01, 14.95, 10.35) [0.493, 0.736, 0.5093],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.824, 5.933, 3.891) [0.08978, 0.2921, 0.1916]\n", + " PeriodicSite: Li (20.19, 3.242, 13.84) [0.9939, 0.1596, 0.6812]\n", + " PeriodicSite: Li (0.1206, 12.19, 7.945) [0.005932, 0.6001, 0.3912]\n", + " PeriodicSite: Li (1.24, 12.95, 15.73) [0.06106, 0.6376, 0.7746]\n", + " PeriodicSite: Li (13.33, 0.3781, 7.138) [0.6562, 0.01861, 0.3514]\n", + " PeriodicSite: Li (11.77, 3.889, 15.97) [0.5794, 0.1914, 0.7865]\n", + " PeriodicSite: Li (14.17, 12.54, 5.761) [0.6975, 0.6176, 0.2836]\n", + " PeriodicSite: Li (15.7, 8.118, 15.98) [0.7731, 0.3996, 0.7865]\n", + " PeriodicSite: Li (3.993, 4.511, 8.238) [0.1966, 0.2221, 0.4056]\n", + " PeriodicSite: Li (1.964, 1.814, 19.79) [0.09668, 0.08933, 0.9743]\n", + " PeriodicSite: Li (4.478, 8.164, 3.916) [0.2205, 0.4019, 0.1928]\n", + " PeriodicSite: Li (6.708, 10.04, 17.47) [0.3302, 0.4942, 0.86]\n", + " PeriodicSite: Li (11.97, 4.895, 7.012) [0.5891, 0.241, 0.3452]\n", + " PeriodicSite: Li (13.11, 0.4638, 16.75) [0.6455, 0.02283, 0.8247]\n", + " PeriodicSite: Li (10.46, 8.859, 12.71) [0.5151, 0.4361, 0.6257]\n", + " PeriodicSite: Li (8.186, 19.24, 19.67) [0.403, 0.9473, 0.9683]\n", + " PeriodicSite: Li (6.393, 1.367, 6.541) [0.3148, 0.06729, 0.322]\n", + " PeriodicSite: Li (3.386, 20.05, 13.56) [0.1667, 0.9869, 0.6674]\n", + " PeriodicSite: Li (2.617, 10.52, 6.252) [0.1288, 0.518, 0.3078]\n", + " PeriodicSite: Li (6.447, 10.17, 13.3) [0.3174, 0.5008, 0.6546]\n", + " PeriodicSite: Li (12.39, 1.398, 9.681) [0.6097, 0.06882, 0.4766]\n", + " PeriodicSite: Li (10.01, 1.487, 18.1) [0.4927, 0.07322, 0.8911]\n", + " PeriodicSite: Li (13.4, 15.09, 8.246) [0.6597, 0.743, 0.406]\n", + " PeriodicSite: Li (12.89, 9.929, 2.432) [0.6345, 0.4888, 0.1197]\n", + " PeriodicSite: Li (0.4771, 3.671, 7.092) [0.02349, 0.1807, 0.3492]\n", + " PeriodicSite: Li (0.2629, 3.101, 17.53) [0.01295, 0.1527, 0.8632]\n", + " PeriodicSite: Li (1.231, 13.5, 5.867) [0.06062, 0.6648, 0.2888]\n", + " PeriodicSite: Li (3.868, 16.37, 18.49) [0.1904, 0.8058, 0.9104]\n", + " PeriodicSite: Li (13.4, 2.141, 5.047) [0.6598, 0.1054, 0.2485]\n", + " PeriodicSite: Li (16.02, 1.603, 16.43) [0.7885, 0.07889, 0.8088]\n", + " PeriodicSite: Li (11.91, 11.79, 9.653) [0.5862, 0.5804, 0.4752]\n", + " PeriodicSite: Li (16.91, 16.83, 19.51) [0.8327, 0.8287, 0.9605]\n", + " PeriodicSite: Li (5.52, 2.307, 3.877) [0.2718, 0.1136, 0.1909]\n", + " PeriodicSite: Li (20.13, 17.19, 3.048) [0.9909, 0.8463, 0.1501]\n", + " PeriodicSite: Li (3.062, 14.66, 8.553) [0.1508, 0.7215, 0.4211]\n", + " PeriodicSite: Li (1.382, 17.27, 14.96) [0.06802, 0.8503, 0.7367]\n", + " PeriodicSite: Li (15.13, 3.226, 8.469) [0.7447, 0.1588, 0.417]\n", + " PeriodicSite: Li (13.77, 4.763, 18.29) [0.6781, 0.2345, 0.9004]\n", + " PeriodicSite: Li (17.14, 15.31, 8.147) [0.8436, 0.7538, 0.4011]\n", + " PeriodicSite: Li (10.22, 12.12, 18.64) [0.5033, 0.5965, 0.9178]\n", + " PeriodicSite: Li (2.936, 2.169, 5.365) [0.1445, 0.1068, 0.2641]\n", + " PeriodicSite: Li (2.734, 20.26, 17.7) [0.1346, 0.9972, 0.8714]\n", + " PeriodicSite: Li (4.538, 11.69, 7.005) [0.2234, 0.5757, 0.3449]\n", + " PeriodicSite: Li (17.77, 14.86, 2.722) [0.8747, 0.7316, 0.134]\n", + " PeriodicSite: Li (10.22, 2.41, 7.809) [0.5033, 0.1187, 0.3844]\n", + " PeriodicSite: Li (17.29, 0.1829, 14.11) [0.8514, 0.008998, 0.6944]\n", + " PeriodicSite: Li (13.27, 10.21, 6.877) [0.6533, 0.5025, 0.3386]\n", + " PeriodicSite: Li (14.77, 11.13, 17.31) [0.727, 0.5481, 0.852]\n", + " PeriodicSite: Li (4.409, 12.48, 16.04) [0.2171, 0.6143, 0.7897]\n", + " PeriodicSite: Li (2.275, 12.06, 9.944) [0.112, 0.5938, 0.4896]\n", + " PeriodicSite: Li (2.017, 16.57, 4.898) [0.09929, 0.8159, 0.2411]\n", + " PeriodicSite: Li (1.597, 1.731, 9.77) [0.07863, 0.08524, 0.481]\n", + " PeriodicSite: Li (14.1, 5.803, 2.51) [0.6941, 0.2857, 0.1236]\n", + " PeriodicSite: Li (12.72, 7.879, 14.95) [0.626, 0.3879, 0.736]\n", + " PeriodicSite: Li (10.06, 13.08, 6.891) [0.4951, 0.6438, 0.3392]\n", + " PeriodicSite: Li (13.22, 0.5151, 13.05) [0.6508, 0.02535, 0.6425]\n", + " PeriodicSite: Li (3.466, 5.592, 0.9121) [0.1706, 0.2753, 0.0449]\n", + " PeriodicSite: Li (3.174, 5.168, 11.33) [0.1563, 0.2544, 0.558]\n", + " PeriodicSite: Li (6.772, 15.48, 19.48) [0.3334, 0.7623, 0.9591]\n", + " PeriodicSite: Li (4.211, 17.81, 14.46) [0.2073, 0.8768, 0.7121]\n", + " PeriodicSite: Li (13.37, 3.317, 0.5921) [0.6581, 0.1633, 0.02916]\n", + " PeriodicSite: Li (11.55, 5.576, 12.87) [0.5687, 0.2745, 0.6335]\n", + " PeriodicSite: Li (11.93, 16.01, 3.077) [0.5871, 0.7884, 0.1515]\n", + " PeriodicSite: Li (11.74, 17.68, 14.87) [0.5779, 0.8704, 0.7321]\n", + " PeriodicSite: Li (3.552, 10.13, 17.26) [0.1749, 0.4987, 0.8498]\n", + " PeriodicSite: Li (5.738, 7.144, 10.83) [0.2825, 0.3517, 0.5332]\n", + " PeriodicSite: Li (4.464, 17.67, 1.633) [0.2197, 0.8699, 0.08041]\n", + " PeriodicSite: Li (1.511, 17.9, 10.75) [0.07439, 0.8814, 0.5293]\n", + " PeriodicSite: Li (10.57, 6.701, 3.278) [0.5202, 0.3299, 0.1614]\n", + " PeriodicSite: Li (14.65, 6.252, 11.96) [0.7212, 0.3078, 0.5886]\n", + " PeriodicSite: Li (10.35, 18.8, 2.091) [0.5095, 0.9256, 0.1029]\n", + " PeriodicSite: Li (13.33, 15.29, 11.37) [0.6565, 0.7525, 0.5596]\n", + " PeriodicSite: Li (2.233, 9.062, 0.4321) [0.1099, 0.4461, 0.02128]\n", + " PeriodicSite: Li (17.62, 5.253, 7.695) [0.8673, 0.2586, 0.3788]\n", + " PeriodicSite: Li (2.665, 19.59, 4.053) [0.1312, 0.9642, 0.1995]\n", + " PeriodicSite: Li (0.706, 19.64, 12.79) [0.03475, 0.9668, 0.6295]\n", + " PeriodicSite: Li (9.752, 6.922, 6.823) [0.4801, 0.3408, 0.3359]\n", + " PeriodicSite: Li (13.14, 12.27, 15.1) [0.647, 0.6042, 0.7436]\n", + " PeriodicSite: Li (14.48, 16.34, 2.313) [0.7129, 0.8043, 0.1139]\n", + " PeriodicSite: Li (12.11, 15.33, 16.86) [0.5962, 0.7549, 0.8302]\n", + " PeriodicSite: Li (7.208, 9.038, 5.445) [0.3549, 0.445, 0.268]\n", + " PeriodicSite: Li (19.99, 12.6, 12.59) [0.9841, 0.6204, 0.6196]\n", + " PeriodicSite: Li (19.71, 17.2, 6.887) [0.9702, 0.8468, 0.3391]\n", + " PeriodicSite: Li (7.004, 18.66, 15.22) [0.3448, 0.9188, 0.7493]\n", + " PeriodicSite: Li (15.78, 10.8, 2.971) [0.7769, 0.5316, 0.1462]\n", + " PeriodicSite: Li (12.05, 8.245, 10.32) [0.593, 0.4059, 0.5081]\n", + " PeriodicSite: Li (13.41, 16.89, 20.28) [0.6601, 0.8316, 0.9983]\n", + " PeriodicSite: Li (10.65, 18.74, 11.61) [0.5245, 0.9227, 0.5717]\n", + " PeriodicSite: Li (4.884, 2.602, 18.37) [0.2404, 0.1281, 0.9042]\n", + " PeriodicSite: Li (3.113, 9.315, 13.89) [0.1532, 0.4586, 0.6839]\n", + " PeriodicSite: Li (5.746, 19.94, 3.125) [0.2829, 0.9817, 0.1538]\n", + " PeriodicSite: Li (1.724, 15.24, 13.2) [0.08486, 0.7503, 0.6501]\n", + " PeriodicSite: Li (13.66, 8.172, 4.541) [0.6724, 0.4023, 0.2235]\n", + " PeriodicSite: Li (14.34, 9.346, 13.14) [0.7061, 0.4601, 0.6469]\n", + " PeriodicSite: Li (12.73, 19.44, 4.307) [0.6266, 0.957, 0.212]\n", + " PeriodicSite: Li (18.07, 4.827, 14.39) [0.8897, 0.2377, 0.7085]\n", + " PeriodicSite: Li (9.338, 2.031, 1.556) [0.4597, 0.09996, 0.0766]\n", + " PeriodicSite: Li (9.89, 2.39, 12.34) [0.4869, 0.1177, 0.6074]\n", + " PeriodicSite: Li (7.774, 12.97, 4.937) [0.3827, 0.6388, 0.2431]\n", + " PeriodicSite: Li (7.04, 12.15, 15.36) [0.3466, 0.5984, 0.7561]\n", + " PeriodicSite: Li (18.17, 4.056, 4.245) [0.8946, 0.1997, 0.209]\n", + " PeriodicSite: Li (13.12, 4.335, 9.541) [0.6459, 0.2134, 0.4697]\n", + " PeriodicSite: Li (20.31, 12.9, 2.686) [0.9998, 0.635, 0.1323]\n", + " PeriodicSite: Li (17.38, 10.61, 13.93) [0.8557, 0.5223, 0.6858]\n", + " PeriodicSite: Li (6.641, 18.56, 5.532) [0.327, 0.9137, 0.2724]\n", + " PeriodicSite: Li (8.162, 4.104, 14.68) [0.4018, 0.202, 0.7228]\n", + " PeriodicSite: Li (3.785, 13.17, 19.76) [0.1864, 0.6483, 0.9728]\n", + " PeriodicSite: Li (9.958, 13.55, 13.9) [0.4903, 0.6673, 0.6845]\n", + " PeriodicSite: Li (14.87, 19.2, 2.584) [0.7321, 0.9454, 0.1272]\n", + " PeriodicSite: Li (19.06, 2.006, 11.03) [0.9386, 0.09875, 0.543]\n", + " PeriodicSite: Li (17.45, 13.35, 20.25) [0.859, 0.6571, 0.9967]\n", + " PeriodicSite: Li (17.31, 15.14, 11.64) [0.852, 0.7456, 0.5729]\n", + " PeriodicSite: Li (8.04, 4.27, 5.13) [0.3958, 0.2102, 0.2526]\n", + " PeriodicSite: Li (7.732, 0.501, 12.12) [0.3807, 0.02466, 0.5967]\n", + " PeriodicSite: Li (10.39, 12.58, 2.096) [0.5113, 0.6191, 0.1032]\n", + " PeriodicSite: Li (4.295, 13.48, 11.52) [0.2114, 0.6639, 0.5672]\n", + " PeriodicSite: Li (20.17, 2.545, 2.172) [0.9931, 0.1253, 0.107]\n", + " PeriodicSite: Li (0.1705, 7.949, 12.64) [0.008394, 0.3913, 0.6223]\n", + " PeriodicSite: Li (15.7, 13.56, 2.109) [0.7731, 0.6678, 0.1039]\n", + " PeriodicSite: Li (15.56, 12.57, 13.74) [0.7661, 0.6188, 0.6762]\n", + " PeriodicSite: Li (3.246, 20.26, 7.387) [0.1598, 0.9976, 0.3637]\n", + " PeriodicSite: Li (6.424, 1.457, 14.83) [0.3163, 0.07175, 0.7303]\n", + " PeriodicSite: Li (5.484, 14.44, 2.154) [0.27, 0.7109, 0.106]\n", + " PeriodicSite: Li (9.455, 7.348, 15.92) [0.4655, 0.3618, 0.7837]\n", + " PeriodicSite: Li (17.23, 4.292, 1.129) [0.8483, 0.2113, 0.05557]\n", + " PeriodicSite: Li (15.08, 18.83, 13.72) [0.7423, 0.9268, 0.6753]\n", + " PeriodicSite: Li (13.59, 13.45, 19.8) [0.6688, 0.6619, 0.9748]\n", + " PeriodicSite: Li (18.11, 11.09, 11.12) [0.8915, 0.5461, 0.5476]\n", + " PeriodicSite: Li (8.312, 8.611, 19.95) [0.4092, 0.4239, 0.9822]\n", + " PeriodicSite: Li (5.259, 3.043, 12.18) [0.2589, 0.1498, 0.5995]\n", + " PeriodicSite: Li (8.275, 10.29, 2.471) [0.4074, 0.5067, 0.1217]\n", + " PeriodicSite: Li (9.222, 12.32, 10.98) [0.454, 0.6063, 0.5408]\n", + " PeriodicSite: Li (15.84, 2.007, 3.345) [0.7797, 0.09878, 0.1647]\n", + " PeriodicSite: Li (17.11, 3.843, 11.02) [0.8423, 0.1892, 0.5426]\n", + " PeriodicSite: Li (0.3455, 11.49, 18.61) [0.01701, 0.5655, 0.9161]\n", + " PeriodicSite: Li (18.07, 14.49, 14.36) [0.8894, 0.7133, 0.7068]\n", + " PeriodicSite: Li (5.919, 2.832, 0.8708) [0.2914, 0.1394, 0.04287]\n", + " PeriodicSite: Li (7.01, 3.056, 10.14) [0.3451, 0.1504, 0.4993]\n", + " PeriodicSite: Li (8.16, 15.16, 2.935) [0.4017, 0.7461, 0.1445]\n", + " PeriodicSite: Li (4.456, 16.58, 11.84) [0.2194, 0.8164, 0.5829]\n", + " PeriodicSite: Li (18.4, 1.995, 0.1035) [0.9059, 0.09819, 0.005098]\n", + " PeriodicSite: Li (2.292, 6.152, 14.89) [0.1128, 0.3029, 0.733]\n", + " PeriodicSite: Li (6.273, 13.67, 8.714) [0.3088, 0.6731, 0.429]\n", + " PeriodicSite: Li (15.41, 13.08, 10.87) [0.7586, 0.6439, 0.5352]\n", + " PeriodicSite: Li (17.29, 12.02, 4.835) [0.8514, 0.5919, 0.2381]\n", + " PeriodicSite: Li (6.261, 8.011, 15.33) [0.3082, 0.3944, 0.7545]\n", + " PeriodicSite: Li (6.943, 14.75, 12.27) [0.3418, 0.7263, 0.604]\n", + " PeriodicSite: Li (1.176, 18.51, 0.7444) [0.05789, 0.9112, 0.03665]\n", + " PeriodicSite: Li (17.11, 10.38, 7.383) [0.8423, 0.5111, 0.3635]\n", + " PeriodicSite: Li (2.925, 4.916, 18.5) [0.144, 0.242, 0.9109]\n", + " PeriodicSite: Li (16.65, 0.6199, 6.767) [0.8196, 0.03051, 0.3332]\n", + " PeriodicSite: Li (19.27, 20.18, 18.05) [0.9489, 0.9936, 0.8887]\n", + " PeriodicSite: Li (4.91, 8.328, 7.043) [0.2417, 0.41, 0.3467]\n", + " PeriodicSite: Li (6.898, 5.19, 17.95) [0.3396, 0.2555, 0.8835]\n", + " PeriodicSite: Li (8.103, 19.9, 8.515) [0.3989, 0.9797, 0.4192]\n", + " PeriodicSite: Li (9.217, 16.02, 17.37) [0.4538, 0.7888, 0.855]\n", + " PeriodicSite: Li (17.31, 6.808, 10.33) [0.852, 0.3352, 0.5084]\n", + " PeriodicSite: Li (18.41, 7.95, 20.06) [0.9064, 0.3914, 0.9877]\n", + " PeriodicSite: Li (18.99, 19.88, 8.091) [0.935, 0.9787, 0.3983]\n", + " PeriodicSite: Li (19.46, 16.83, 17.62) [0.9583, 0.8285, 0.8672]\n", + " PeriodicSite: Li (6.928, 5.606, 8.224) [0.3411, 0.276, 0.4049]\n", + " PeriodicSite: Li (3.839, 2.228, 15.71) [0.189, 0.1097, 0.7735]\n", + " PeriodicSite: Li (7.216, 17.35, 10.1) [0.3552, 0.8542, 0.4973]\n", + " PeriodicSite: Li (17.49, 10.24, 16.99) [0.861, 0.504, 0.8364]\n", + " PeriodicSite: Li (19.92, 7.825, 8.697) [0.9808, 0.3852, 0.4282]\n", + " PeriodicSite: Li (16.6, 4.356, 18.64) [0.8172, 0.2144, 0.9177]\n", + " PeriodicSite: Li (15.48, 17.53, 9.223) [0.7619, 0.8631, 0.454]\n", + " PeriodicSite: Li (15.15, 14.36, 17.89) [0.7459, 0.7068, 0.8805]\n", + " PeriodicSite: Li (8.15, 9.672, 8.86) [0.4012, 0.4762, 0.4362]\n", + " PeriodicSite: Li (6.989, 5.117, 1.461) [0.3441, 0.2519, 0.07191]\n", + " PeriodicSite: Li (5.251, 16.76, 8.25) [0.2585, 0.8253, 0.4062]\n", + " PeriodicSite: Li (7.608, 12.26, 0.4263) [0.3746, 0.6036, 0.02099]\n", + " PeriodicSite: Li (15.16, 6.874, 7.938) [0.7464, 0.3384, 0.3908]\n", + " PeriodicSite: Li (20.16, 7.248, 17.18) [0.9927, 0.3568, 0.8457]\n", + " PeriodicSite: Li (16.41, 18.23, 5.812) [0.808, 0.8975, 0.2861]\n", + " PeriodicSite: Li (15.42, 18.62, 16.67) [0.7593, 0.9168, 0.8208]\n", + " PeriodicSite: Li (6.933, 5.02, 11.99) [0.3413, 0.2472, 0.5903]\n", + " PeriodicSite: Li (6.099, 7.2, 19.67) [0.3002, 0.3545, 0.9685]\n", + " PeriodicSite: Li (9.87, 17.2, 7.554) [0.4859, 0.8466, 0.3719]\n", + " PeriodicSite: Li (12.57, 19.74, 0.2593) [0.6189, 0.972, 0.01277]\n", + " PeriodicSite: Li (16.76, 8.449, 5.331) [0.8252, 0.4159, 0.2625]\n", + " PeriodicSite: Li (14.06, 7.305, 0.0333) [0.6922, 0.3596, 0.001644]\n", + " PeriodicSite: Li (18.37, 18.15, 10.09) [0.9043, 0.8935, 0.4966]\n", + " PeriodicSite: Li (18.06, 0.105, 2.522) [0.8892, 0.005162, 0.1242]\n", + " PeriodicSite: Li (5.039, 11.67, 3.884) [0.2481, 0.5743, 0.1912]\n", + " PeriodicSite: Li (10.0, 7.464, 18.76) [0.4925, 0.3675, 0.9238]\n", + " PeriodicSite: Li (7.938, 15.33, 6.831) [0.3908, 0.7545, 0.3363]\n", + " PeriodicSite: Li (5.38, 19.2, 17.57) [0.2648, 0.9451, 0.8651]\n", + " PeriodicSite: Li (19.31, 7.162, 5.855) [0.9504, 0.3526, 0.2883]\n", + " PeriodicSite: Li (18.64, 10.33, 1.825) [0.9176, 0.5084, 0.08984]\n", + " PeriodicSite: Li (2.268, 15.49, 1.289) [0.1116, 0.7626, 0.06344]\n", + " PeriodicSite: Li (15.73, 2.581, 13.87) [0.7745, 0.1271, 0.6828]\n", + " PeriodicSite: Cl (7.865, 12.65, 13.15) [0.3872, 0.623, 0.6476]\n", + " PeriodicSite: Cl (2.747, 12.33, 17.5) [0.1353, 0.6072, 0.8617]\n", + " PeriodicSite: Cl (12.61, 18.51, 12.73) [0.621, 0.9114, 0.6269]\n", + " PeriodicSite: Cl (18.04, 7.759, 17.61) [0.8879, 0.382, 0.867]\n", + " PeriodicSite: Cl (7.596, 2.99, 2.845) [0.374, 0.1472, 0.14]\n", + " PeriodicSite: Cl (7.752, 7.66, 7.684) [0.3816, 0.3771, 0.3783]\n", + " PeriodicSite: Cl (12.23, 12.61, 7.244) [0.6019, 0.6209, 0.3566]\n", + " PeriodicSite: Cl (2.686, 7.496, 2.357) [0.1322, 0.3691, 0.1161]\n", + " PeriodicSite: Cl (2.582, 7.418, 12.77) [0.1271, 0.3652, 0.6285]\n", + " PeriodicSite: Cl (13.01, 12.77, 17.63) [0.6403, 0.6285, 0.868]\n", + " PeriodicSite: Cl (17.46, 18.11, 17.52) [0.8598, 0.8914, 0.8627]\n", + " PeriodicSite: Cl (2.55, 2.342, 7.653) [0.1255, 0.1153, 0.3768]\n", + " PeriodicSite: Cl (12.76, 2.638, 17.8) [0.628, 0.1299, 0.8761]\n", + " PeriodicSite: Cl (12.52, 7.469, 2.123) [0.6161, 0.3677, 0.1045]\n", + " PeriodicSite: Cl (17.87, 2.656, 12.99) [0.8797, 0.1307, 0.6397]\n", + " PeriodicSite: Cl (7.43, 17.49, 18.12) [0.3658, 0.8612, 0.8921]\n", + " PeriodicSite: Cl (0.645, 0.07293, 20.01) [0.03176, 0.003592, 0.9853]\n", + " PeriodicSite: Cl (20.12, 20.24, 10.2) [0.9903, 0.9964, 0.5022]\n", + " PeriodicSite: Cl (20.26, 9.753, 20.21) [0.9973, 0.4801, 0.995]\n", + " PeriodicSite: Cl (0.01541, 10.62, 10.11) [0.0007564, 0.5229, 0.498]\n", + " PeriodicSite: Cl (10.15, 0.1658, 20.23) [0.4997, 0.008161, 0.996]\n", + " PeriodicSite: Cl (10.04, 0.4279, 9.848) [0.4942, 0.02106, 0.4848]\n", + " PeriodicSite: Cl (10.05, 10.9, 0.1922) [0.4947, 0.5367, 0.009466]\n", + " PeriodicSite: Cl (10.34, 10.19, 10.29) [0.5091, 0.5015, 0.5064]\n", + " PeriodicSite: Cl (20.21, 5.154, 4.987) [0.995, 0.2537, 0.2455]\n", + " PeriodicSite: Cl (0.04645, 5.415, 15.16) [0.002288, 0.2666, 0.7464]\n", + " PeriodicSite: Cl (0.02121, 15.33, 4.901) [0.001039, 0.7546, 0.2413]\n", + " PeriodicSite: Cl (0.3077, 15.13, 14.86) [0.01514, 0.7448, 0.7316]\n", + " PeriodicSite: Cl (9.989, 5.235, 5.296) [0.4917, 0.2577, 0.2607]\n", + " PeriodicSite: Cl (10.29, 5.134, 15.09) [0.5064, 0.2527, 0.743]\n", + " PeriodicSite: Cl (9.433, 14.43, 5.254) [0.4644, 0.7103, 0.2587]\n", + " PeriodicSite: Cl (10.36, 15.57, 15.37) [0.5099, 0.7664, 0.7567]\n", + " PeriodicSite: S (4.789, 0.3316, 5.207) [0.2358, 0.01632, 0.2564]\n", + " PeriodicSite: S (4.871, 19.85, 15.45) [0.2398, 0.9775, 0.7606]\n", + " PeriodicSite: S (4.928, 10.01, 5.421) [0.2426, 0.4927, 0.2669]\n", + " PeriodicSite: S (5.299, 10.19, 15.53) [0.2609, 0.5017, 0.7645]\n", + " PeriodicSite: S (14.79, 0.01809, 5.253) [0.7279, 0.0008841, 0.2586]\n", + " PeriodicSite: S (14.99, 0.4002, 15.01) [0.7382, 0.01969, 0.7387]\n", + " PeriodicSite: S (15.08, 10.07, 4.994) [0.7425, 0.4959, 0.2458]\n", + " PeriodicSite: S (15.31, 10.51, 15.07) [0.7536, 0.5172, 0.7417]\n", + " PeriodicSite: S (5.127, 4.725, 20.05) [0.2524, 0.2326, 0.9868]\n", + " PeriodicSite: S (5.262, 4.845, 10.36) [0.2591, 0.2385, 0.5099]\n", + " PeriodicSite: S (4.681, 15.23, 0.2117) [0.2304, 0.7499, 0.01042]\n", + " PeriodicSite: S (5.231, 15.07, 10.17) [0.2575, 0.7421, 0.5005]\n", + " PeriodicSite: S (15.07, 4.941, 20.18) [0.7419, 0.2432, 0.9936]\n", + " PeriodicSite: S (15.43, 5.407, 9.974) [0.7599, 0.2662, 0.491]\n", + " PeriodicSite: S (15.16, 15.17, 0.1823) [0.7463, 0.7469, 0.008978]\n", + " PeriodicSite: S (15.15, 15.3, 9.968) [0.7457, 0.7534, 0.4908]\n", + " PeriodicSite: S (8.725, 4.159, 8.94) [0.4296, 0.2048, 0.4401]\n", + " PeriodicSite: S (9.059, 3.729, 19.4) [0.446, 0.1836, 0.955]\n", + " PeriodicSite: S (8.922, 13.93, 8.934) [0.4392, 0.6858, 0.4398]\n", + " PeriodicSite: S (8.881, 14.21, 19.19) [0.4372, 0.6995, 0.9446]\n", + " PeriodicSite: S (19.13, 3.738, 9.165) [0.942, 0.184, 0.4512]\n", + " PeriodicSite: S (19.09, 3.762, 19.03) [0.9397, 0.1852, 0.9369]\n", + " PeriodicSite: S (19.04, 13.94, 8.869) [0.9375, 0.6861, 0.4366]\n", + " PeriodicSite: S (18.84, 14.49, 18.6) [0.9276, 0.7135, 0.9156]\n", + " PeriodicSite: S (4.355, 1.174, 1.399) [0.2144, 0.05782, 0.06889]\n", + " PeriodicSite: S (3.737, 1.338, 11.42) [0.184, 0.06585, 0.5623]\n", + " PeriodicSite: S (3.563, 10.91, 1.122) [0.1754, 0.5369, 0.05524]\n", + " PeriodicSite: S (4.078, 10.94, 11.52) [0.2008, 0.5386, 0.5671]\n", + " PeriodicSite: S (14.18, 0.737, 1.025) [0.6981, 0.03628, 0.05049]\n", + " PeriodicSite: S (14.3, 1.776, 11.47) [0.7041, 0.08745, 0.5648]\n", + " PeriodicSite: S (14.29, 11.63, 1.08) [0.7036, 0.5726, 0.05319]\n", + " PeriodicSite: S (13.81, 11.4, 11.41) [0.6798, 0.5613, 0.5615]\n", + " PeriodicSite: S (6.201, 0.932, 9.201) [0.3053, 0.04588, 0.453]\n", + " PeriodicSite: S (6.257, 0.9, 18.86) [0.308, 0.04431, 0.9286]\n", + " PeriodicSite: S (6.413, 11.38, 8.727) [0.3157, 0.5602, 0.4296]\n", + " PeriodicSite: S (5.85, 11.51, 19.09) [0.288, 0.5666, 0.9397]\n", + " PeriodicSite: S (16.47, 1.337, 9.144) [0.8109, 0.06584, 0.4502]\n", + " PeriodicSite: S (16.7, 1.145, 19.05) [0.8223, 0.05638, 0.9378]\n", + " PeriodicSite: S (16.25, 11.54, 9.214) [0.7999, 0.5683, 0.4536]\n", + " PeriodicSite: S (16.57, 11.71, 18.88) [0.8156, 0.5765, 0.9294]\n", + " PeriodicSite: S (1.348, 3.634, 0.9053) [0.06638, 0.1789, 0.04457]\n", + " PeriodicSite: S (1.294, 3.656, 11.61) [0.06371, 0.18, 0.5718]\n", + " PeriodicSite: S (0.9642, 13.49, 0.4632) [0.04746, 0.6643, 0.02281]\n", + " PeriodicSite: S (1.279, 13.9, 11.22) [0.06299, 0.6842, 0.5525]\n", + " PeriodicSite: S (11.19, 3.925, 1.644) [0.5511, 0.1932, 0.08093]\n", + " PeriodicSite: S (11.32, 3.741, 11.11) [0.5571, 0.1842, 0.5471]\n", + " PeriodicSite: S (11.67, 14.34, 1.232) [0.5747, 0.706, 0.06067]\n", + " PeriodicSite: S (11.11, 13.63, 11.26) [0.5468, 0.6711, 0.5543]\n", + " PeriodicSite: S (2.666, 2.58, 17.82) [0.1313, 0.127, 0.8775]\n", + " PeriodicSite: S (2.439, 12.59, 7.665) [0.1201, 0.62, 0.3774]\n", + " PeriodicSite: S (12.75, 2.691, 7.575) [0.6275, 0.1325, 0.3729]\n", + " PeriodicSite: S (9.026, 8.733, 3.894) [0.4443, 0.4299, 0.1917]\n", + " PeriodicSite: S (8.753, 9.188, 14.31) [0.4309, 0.4523, 0.7044]\n", + " PeriodicSite: S (8.588, 18.74, 4.018) [0.4228, 0.9224, 0.1978]\n", + " PeriodicSite: S (9.058, 19.47, 13.66) [0.4459, 0.9585, 0.6725]\n", + " PeriodicSite: S (18.8, 8.989, 4.214) [0.9253, 0.4425, 0.2075]\n", + " PeriodicSite: S (19.17, 8.945, 14.41) [0.9436, 0.4404, 0.7092]\n", + " PeriodicSite: S (19.03, 19.23, 4.352) [0.9367, 0.9465, 0.2143]\n", + " PeriodicSite: S (19.24, 18.98, 14.08) [0.947, 0.9343, 0.6931]\n", + " PeriodicSite: S (3.771, 6.363, 6.152) [0.1857, 0.3133, 0.3029]\n", + " PeriodicSite: S (4.169, 6.262, 16.58) [0.2052, 0.3083, 0.8163]\n", + " PeriodicSite: S (3.674, 16.14, 6.336) [0.1809, 0.7946, 0.3119]\n", + " PeriodicSite: S (3.926, 16.43, 16.21) [0.1933, 0.8087, 0.798]\n", + " PeriodicSite: S (13.83, 5.913, 6.254) [0.6809, 0.2911, 0.3079]\n", + " PeriodicSite: S (13.98, 6.379, 16.42) [0.6882, 0.3141, 0.8083]\n", + " PeriodicSite: S (14.07, 16.75, 6.291) [0.6926, 0.8244, 0.3097]\n", + " PeriodicSite: S (13.9, 16.61, 15.91) [0.6845, 0.8176, 0.7831]\n", + " PeriodicSite: S (6.534, 6.286, 4.221) [0.3217, 0.3095, 0.2078]\n", + " PeriodicSite: S (6.606, 5.97, 14.16) [0.3252, 0.2939, 0.6971]\n", + " PeriodicSite: S (6.022, 16.27, 3.787) [0.2964, 0.8008, 0.1864]\n", + " PeriodicSite: S (6.179, 16.44, 14.0) [0.3042, 0.8094, 0.6895]\n", + " PeriodicSite: S (16.13, 6.238, 3.97) [0.7942, 0.3071, 0.1955]\n", + " PeriodicSite: S (16.37, 6.242, 13.89) [0.8061, 0.3073, 0.6839]\n", + " PeriodicSite: S (16.25, 16.66, 3.911) [0.8, 0.82, 0.1926]\n", + " PeriodicSite: S (16.51, 16.54, 13.54) [0.8128, 0.8145, 0.6666]\n", + " PeriodicSite: S (0.8587, 8.657, 6.472) [0.04227, 0.4262, 0.3186]\n", + " PeriodicSite: S (1.616, 8.888, 16.11) [0.07957, 0.4376, 0.7933]\n", + " PeriodicSite: S (1.057, 19.27, 6.411) [0.05203, 0.9489, 0.3156]\n", + " PeriodicSite: S (0.739, 19.07, 16.74) [0.03638, 0.9386, 0.8242]\n", + " PeriodicSite: S (11.28, 8.787, 6.178) [0.5553, 0.4326, 0.3042]\n", + " PeriodicSite: S (11.09, 9.091, 16.65) [0.546, 0.4475, 0.8198]\n", + " PeriodicSite: S (11.03, 19.18, 6.376) [0.5429, 0.9441, 0.3139]\n", + " PeriodicSite: S (10.99, 19.4, 16.37) [0.5408, 0.955, 0.8058]\n", + " PeriodicSite: S (2.17, 17.4, 2.577) [0.1068, 0.8567, 0.1269]\n", + " PeriodicSite: S (2.347, 17.91, 12.95) [0.1156, 0.8816, 0.6373]\n", + " PeriodicSite: S (12.58, 7.621, 12.6) [0.6194, 0.3752, 0.6205]\n", + " PeriodicSite: S (12.93, 17.91, 2.388) [0.6367, 0.882, 0.1176]\n", + " PeriodicSite: S (3.904, 4.049, 4.083) [0.1922, 0.1993, 0.201]\n", + " PeriodicSite: S (3.72, 4.1, 14.15) [0.1832, 0.2018, 0.6965]\n", + " PeriodicSite: S (3.645, 13.93, 3.694) [0.1795, 0.6856, 0.1819]\n", + " PeriodicSite: S (4.03, 13.79, 14.04) [0.1984, 0.6788, 0.6914]\n", + " PeriodicSite: S (14.26, 3.627, 3.691) [0.7021, 0.1786, 0.1817]\n", + " PeriodicSite: S (13.88, 4.046, 13.93) [0.6832, 0.1992, 0.6857]\n", + " PeriodicSite: S (13.85, 14.23, 3.818) [0.6819, 0.7005, 0.188]\n", + " PeriodicSite: S (13.88, 14.31, 13.69) [0.6834, 0.7042, 0.6741]\n", + " PeriodicSite: S (8.728, 1.264, 6.257) [0.4297, 0.06221, 0.308]\n", + " PeriodicSite: S (8.599, 1.338, 16.11) [0.4233, 0.06587, 0.793]\n", + " PeriodicSite: S (8.734, 11.06, 6.193) [0.43, 0.5443, 0.3049]\n", + " PeriodicSite: S (8.84, 11.66, 16.66) [0.4352, 0.5739, 0.82]\n", + " PeriodicSite: S (19.11, 1.551, 6.45) [0.9409, 0.07633, 0.3175]\n", + " PeriodicSite: S (18.98, 1.439, 16.04) [0.9346, 0.07085, 0.7898]\n", + " PeriodicSite: S (19.05, 11.41, 6.438) [0.9381, 0.5619, 0.317]\n", + " PeriodicSite: S (19.57, 11.49, 16.21) [0.9633, 0.5658, 0.7979]\n", + " PeriodicSite: S (1.058, 1.202, 3.797) [0.0521, 0.0592, 0.1869]\n", + " PeriodicSite: S (1.167, 1.153, 14.34) [0.05744, 0.05678, 0.7058]\n", + " PeriodicSite: S (1.342, 11.11, 4.085) [0.06608, 0.5471, 0.2011]\n", + " PeriodicSite: S (1.629, 11.26, 13.88) [0.08022, 0.5545, 0.6831]\n", + " PeriodicSite: S (10.9, 0.7995, 3.585) [0.5367, 0.03936, 0.1765]\n", + " PeriodicSite: S (11.28, 1.6, 14.2) [0.5552, 0.07876, 0.6992]\n", + " PeriodicSite: S (11.32, 11.17, 3.819) [0.5572, 0.5498, 0.188]\n", + " PeriodicSite: S (11.16, 11.36, 14.15) [0.5494, 0.5592, 0.6969]\n", + " PeriodicSite: S (6.14, 4.016, 6.672) [0.3023, 0.1977, 0.3285]\n", + " PeriodicSite: S (6.35, 3.556, 16.39) [0.3126, 0.1751, 0.8071]\n", + " PeriodicSite: S (5.816, 13.81, 6.213) [0.2863, 0.6799, 0.3059]\n", + " PeriodicSite: S (6.207, 14.18, 16.53) [0.3056, 0.6979, 0.8139]\n", + " PeriodicSite: S (16.45, 3.716, 6.22) [0.8097, 0.183, 0.3062]\n", + " PeriodicSite: S (16.46, 3.919, 16.08) [0.8103, 0.193, 0.7917]\n", + " PeriodicSite: S (16.14, 13.9, 6.286) [0.7946, 0.6843, 0.3095]\n", + " PeriodicSite: S (16.34, 14.08, 15.86) [0.8044, 0.693, 0.7809]\n", + " PeriodicSite: S (7.606, 2.672, 12.74) [0.3745, 0.1316, 0.6271]\n", + " PeriodicSite: S (7.597, 12.8, 2.583) [0.374, 0.6303, 0.1272]\n", + " PeriodicSite: S (17.93, 2.424, 2.366) [0.8826, 0.1193, 0.1165]\n", + " PeriodicSite: S (17.9, 12.48, 2.54) [0.8812, 0.6142, 0.1251]\n", + " PeriodicSite: S (17.66, 12.79, 12.64) [0.8695, 0.6295, 0.6223]\n", + " PeriodicSite: S (4.22, 8.527, 9.221) [0.2077, 0.4198, 0.454]\n", + " PeriodicSite: S (4.16, 8.553, 19.14) [0.2048, 0.4211, 0.9423]\n", + " PeriodicSite: S (3.499, 18.85, 9.261) [0.1723, 0.928, 0.4559]\n", + " PeriodicSite: S (3.871, 19.01, 19.27) [0.1906, 0.936, 0.9487]\n", + " PeriodicSite: S (13.77, 9.015, 8.914) [0.6778, 0.4438, 0.4389]\n", + " PeriodicSite: S (14.09, 9.322, 18.87) [0.6938, 0.4589, 0.929]\n", + " PeriodicSite: S (13.99, 19.57, 9.341) [0.6888, 0.9633, 0.4599]\n", + " PeriodicSite: S (14.21, 18.91, 18.9) [0.6996, 0.9309, 0.9303]\n", + " PeriodicSite: S (9.047, 6.299, 0.9668) [0.4454, 0.3101, 0.0476]\n", + " PeriodicSite: S (9.073, 6.287, 11.62) [0.4467, 0.3095, 0.5722]\n", + " PeriodicSite: S (9.34, 16.45, 1.459) [0.4598, 0.81, 0.07182]\n", + " PeriodicSite: S (8.866, 16.35, 11.39) [0.4365, 0.8048, 0.5609]\n", + " PeriodicSite: S (19.19, 5.876, 1.315) [0.9447, 0.2893, 0.06473]\n", + " PeriodicSite: S (19.27, 6.001, 11.71) [0.9487, 0.2954, 0.5765]\n", + " PeriodicSite: S (18.92, 16.01, 1.221) [0.9316, 0.7882, 0.06013]\n", + " PeriodicSite: S (19.41, 16.47, 11.38) [0.9557, 0.811, 0.5603]\n", + " PeriodicSite: S (1.265, 5.923, 9.15) [0.0623, 0.2916, 0.4504]\n", + " PeriodicSite: S (0.9371, 6.263, 18.93) [0.04614, 0.3084, 0.9319]\n", + " PeriodicSite: S (1.086, 16.4, 8.84) [0.05348, 0.8072, 0.4352]\n", + " PeriodicSite: S (1.014, 16.53, 19.31) [0.0499, 0.8138, 0.9504]\n", + " PeriodicSite: S (11.17, 6.331, 8.917) [0.5498, 0.3117, 0.439]\n", + " PeriodicSite: S (11.65, 5.915, 19.18) [0.5734, 0.2912, 0.944]\n", + " PeriodicSite: S (11.38, 16.31, 9.362) [0.5604, 0.8029, 0.4609]\n", + " PeriodicSite: S (11.27, 16.72, 19.05) [0.5549, 0.823, 0.9378]\n", + " PeriodicSite: S (6.361, 9.089, 1.151) [0.3132, 0.4475, 0.05667]\n", + " PeriodicSite: S (6.921, 9.201, 11.16) [0.3407, 0.453, 0.5495]\n", + " PeriodicSite: S (6.35, 18.9, 1.037) [0.3126, 0.9306, 0.05104]\n", + " PeriodicSite: S (6.111, 19.13, 11.53) [0.3008, 0.9419, 0.5679]\n", + " PeriodicSite: S (16.65, 9.265, 1.006) [0.8195, 0.4561, 0.04955]\n", + " PeriodicSite: S (16.03, 8.929, 11.46) [0.7891, 0.4396, 0.5639]\n", + " PeriodicSite: S (16.62, 18.93, 0.9502) [0.8181, 0.9317, 0.04678]\n", + " PeriodicSite: S (16.5, 19.39, 11.7) [0.8122, 0.9547, 0.5762]\n", + " PeriodicSite: S (7.68, 7.636, 17.88) [0.3781, 0.3759, 0.8803]\n", + " PeriodicSite: S (7.363, 17.69, 7.784) [0.3625, 0.8709, 0.3832]\n", + " PeriodicSite: S (17.64, 7.823, 7.633) [0.8687, 0.3851, 0.3758]\n", + " PeriodicSite: S (17.69, 17.78, 7.935) [0.8709, 0.8752, 0.3906]\n", + " PeriodicSite: P (5.178, 20.23, 20.28) [0.2549, 0.9958, 0.9984]\n", + " PeriodicSite: P (4.863, 20.26, 10.33) [0.2394, 0.9972, 0.5085]\n", + " PeriodicSite: P (4.993, 10.07, 20.29) [0.2458, 0.4959, 0.9991]\n", + " PeriodicSite: P (5.346, 9.967, 10.09) [0.2632, 0.4907, 0.4967]\n", + " PeriodicSite: P (15.46, 20.14, 20.08) [0.7611, 0.9915, 0.9884]\n", + " PeriodicSite: P (15.34, 0.2482, 10.47) [0.755, 0.01221, 0.5152]\n", + " PeriodicSite: P (15.37, 10.35, 20.1) [0.7567, 0.5095, 0.9895]\n", + " PeriodicSite: P (14.91, 10.16, 10.19) [0.7342, 0.5, 0.5016]\n", + " PeriodicSite: P (5.176, 5.21, 5.129) [0.2548, 0.2565, 0.2525]\n", + " PeriodicSite: P (5.189, 4.98, 15.26) [0.2555, 0.2452, 0.7512]\n", + " PeriodicSite: P (4.82, 15.16, 5.005) [0.2373, 0.7464, 0.2464]\n", + " PeriodicSite: P (5.107, 15.2, 15.17) [0.2514, 0.7484, 0.747]\n", + " PeriodicSite: P (15.15, 4.912, 5.228) [0.7457, 0.2418, 0.2574]\n", + " PeriodicSite: P (15.05, 5.134, 15.12) [0.7411, 0.2528, 0.7446]\n", + " PeriodicSite: P (15.02, 15.41, 5.19) [0.7396, 0.7588, 0.2555]\n", + " PeriodicSite: P (15.25, 15.4, 14.73) [0.7508, 0.758, 0.725]\n", + " PeriodicSite: P (20.18, 0.2593, 5.265) [0.9935, 0.01276, 0.2592]\n", + " PeriodicSite: P (20.16, 20.25, 15.3) [0.9927, 0.997, 0.7532]\n", + " PeriodicSite: P (0.06861, 10.04, 5.287) [0.003375, 0.4942, 0.2603]\n", + " PeriodicSite: P (0.3662, 10.13, 15.1) [0.01803, 0.4985, 0.7434]\n", + " PeriodicSite: P (9.753, 20.16, 5.073) [0.4801, 0.9926, 0.2498]\n", + " PeriodicSite: P (9.956, 0.2429, 15.07) [0.4902, 0.01196, 0.742]\n", + " PeriodicSite: P (10.21, 10.07, 4.982) [0.5026, 0.4957, 0.2453]\n", + " PeriodicSite: P (9.95, 10.32, 15.43) [0.4899, 0.5082, 0.7597]\n", + " PeriodicSite: P (20.3, 5.013, 20.27) [0.9995, 0.2468, 0.998]\n", + " PeriodicSite: P (0.0834, 4.846, 10.45) [0.004106, 0.2386, 0.5143]\n", + " PeriodicSite: P (20.13, 15.15, 20.07) [0.9912, 0.7457, 0.988]\n", + " PeriodicSite: P (20.29, 15.16, 10.05) [0.9989, 0.7465, 0.4948]\n", + " PeriodicSite: P (10.35, 4.967, 0.1098) [0.5094, 0.2445, 0.005408]\n", + " PeriodicSite: P (9.958, 5.107, 10.26) [0.4902, 0.2514, 0.5049]\n", + " PeriodicSite: P (10.19, 15.37, 0.03527) [0.5016, 0.7568, 0.001741]\n", + " PeriodicSite: P (10.01, 15.11, 10.21) [0.4926, 0.7437, 0.5028],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.133, 5.642, 4.228) [0.105, 0.2778, 0.2082]\n", + " PeriodicSite: Li (0.08287, 2.812, 13.39) [0.004082, 0.1385, 0.659]\n", + " PeriodicSite: Li (0.02122, 12.2, 8.174) [0.001041, 0.6004, 0.4024]\n", + " PeriodicSite: Li (1.404, 13.13, 15.67) [0.06911, 0.6463, 0.7714]\n", + " PeriodicSite: Li (13.27, 0.4064, 7.188) [0.6534, 0.02, 0.3539]\n", + " PeriodicSite: Li (11.73, 3.559, 15.64) [0.5774, 0.1752, 0.77]\n", + " PeriodicSite: Li (14.21, 12.57, 5.514) [0.6996, 0.6189, 0.2715]\n", + " PeriodicSite: Li (15.53, 8.058, 16.19) [0.7645, 0.3967, 0.7971]\n", + " PeriodicSite: Li (3.542, 4.668, 8.654) [0.1744, 0.2298, 0.426]\n", + " PeriodicSite: Li (2.243, 2.435, 20.17) [0.1104, 0.1199, 0.993]\n", + " PeriodicSite: Li (4.713, 8.322, 3.66) [0.232, 0.4097, 0.1802]\n", + " PeriodicSite: Li (7.19, 10.3, 17.02) [0.354, 0.5069, 0.8379]\n", + " PeriodicSite: Li (12.22, 4.371, 6.59) [0.6017, 0.2152, 0.3244]\n", + " PeriodicSite: Li (13.45, 0.2391, 17.16) [0.6622, 0.01177, 0.8447]\n", + " PeriodicSite: Li (10.67, 9.393, 12.9) [0.5255, 0.4624, 0.6351]\n", + " PeriodicSite: Li (7.988, 19.54, 19.38) [0.3932, 0.9618, 0.9542]\n", + " PeriodicSite: Li (5.829, 1.535, 6.506) [0.287, 0.07557, 0.3203]\n", + " PeriodicSite: Li (3.629, 20.09, 13.19) [0.1787, 0.9893, 0.6492]\n", + " PeriodicSite: Li (2.702, 10.6, 5.454) [0.133, 0.5217, 0.2685]\n", + " PeriodicSite: Li (6.676, 10.32, 13.57) [0.3287, 0.508, 0.668]\n", + " PeriodicSite: Li (12.85, 1.405, 10.0) [0.6329, 0.06917, 0.4924]\n", + " PeriodicSite: Li (10.58, 1.876, 18.32) [0.5208, 0.09236, 0.9021]\n", + " PeriodicSite: Li (13.86, 14.95, 8.009) [0.6824, 0.7361, 0.3943]\n", + " PeriodicSite: Li (12.31, 10.13, 2.006) [0.606, 0.4989, 0.09877]\n", + " PeriodicSite: Li (19.95, 3.146, 6.855) [0.9821, 0.1549, 0.3375]\n", + " PeriodicSite: Li (0.7523, 3.462, 17.03) [0.03704, 0.1704, 0.8383]\n", + " PeriodicSite: Li (2.043, 13.35, 5.687) [0.1006, 0.6572, 0.28]\n", + " PeriodicSite: Li (3.239, 16.3, 19.07) [0.1595, 0.8023, 0.9389]\n", + " PeriodicSite: Li (13.69, 1.962, 5.05) [0.674, 0.09657, 0.2486]\n", + " PeriodicSite: Li (17.0, 0.3226, 16.78) [0.8372, 0.01587, 0.8259]\n", + " PeriodicSite: Li (11.96, 12.27, 9.987) [0.5886, 0.6042, 0.4917]\n", + " PeriodicSite: Li (17.06, 17.07, 19.8) [0.8401, 0.8402, 0.9749]\n", + " PeriodicSite: Li (5.214, 2.182, 3.368) [0.2567, 0.1074, 0.1658]\n", + " PeriodicSite: Li (0.3589, 17.37, 3.123) [0.01766, 0.855, 0.1538]\n", + " PeriodicSite: Li (3.087, 14.28, 8.719) [0.152, 0.7032, 0.4292]\n", + " PeriodicSite: Li (1.168, 17.44, 14.68) [0.0575, 0.8586, 0.7229]\n", + " PeriodicSite: Li (14.87, 3.084, 8.523) [0.7319, 0.1518, 0.4196]\n", + " PeriodicSite: Li (13.75, 4.459, 18.38) [0.6771, 0.2195, 0.9049]\n", + " PeriodicSite: Li (17.58, 15.55, 7.838) [0.8655, 0.7655, 0.3859]\n", + " PeriodicSite: Li (10.73, 12.23, 18.93) [0.5285, 0.6021, 0.9319]\n", + " PeriodicSite: Li (2.927, 2.294, 5.368) [0.1441, 0.1129, 0.2643]\n", + " PeriodicSite: Li (1.966, 0.5245, 18.17) [0.09681, 0.02582, 0.8943]\n", + " PeriodicSite: Li (4.686, 12.02, 6.685) [0.2307, 0.5916, 0.3291]\n", + " PeriodicSite: Li (18.68, 15.03, 3.479) [0.9198, 0.74, 0.1713]\n", + " PeriodicSite: Li (10.37, 2.067, 8.639) [0.5107, 0.1018, 0.4253]\n", + " PeriodicSite: Li (17.15, 0.3988, 13.5) [0.8442, 0.01963, 0.6647]\n", + " PeriodicSite: Li (12.93, 10.33, 6.969) [0.6367, 0.5083, 0.3431]\n", + " PeriodicSite: Li (14.69, 10.83, 17.37) [0.7231, 0.5331, 0.855]\n", + " PeriodicSite: Li (4.018, 12.12, 16.03) [0.1978, 0.5968, 0.7893]\n", + " PeriodicSite: Li (2.467, 10.55, 9.647) [0.1214, 0.5194, 0.4749]\n", + " PeriodicSite: Li (2.059, 17.31, 4.888) [0.1014, 0.8522, 0.2407]\n", + " PeriodicSite: Li (2.215, 1.256, 9.431) [0.1091, 0.06185, 0.4643]\n", + " PeriodicSite: Li (14.05, 5.776, 2.109) [0.6919, 0.2843, 0.1038]\n", + " PeriodicSite: Li (12.78, 7.863, 15.36) [0.6293, 0.3871, 0.756]\n", + " PeriodicSite: Li (10.46, 13.19, 6.604) [0.5148, 0.6491, 0.3251]\n", + " PeriodicSite: Li (12.72, 20.08, 14.14) [0.6261, 0.9886, 0.6963]\n", + " PeriodicSite: Li (3.43, 5.889, 0.4614) [0.1689, 0.2899, 0.02272]\n", + " PeriodicSite: Li (3.048, 5.397, 11.23) [0.15, 0.2657, 0.5527]\n", + " PeriodicSite: Li (6.166, 15.12, 18.66) [0.3035, 0.7446, 0.9187]\n", + " PeriodicSite: Li (4.139, 17.88, 14.53) [0.2037, 0.8801, 0.7153]\n", + " PeriodicSite: Li (13.32, 3.024, 0.4843) [0.6558, 0.1489, 0.02385]\n", + " PeriodicSite: Li (11.62, 5.901, 13.07) [0.5722, 0.2905, 0.6435]\n", + " PeriodicSite: Li (11.54, 16.16, 2.539) [0.568, 0.7953, 0.125]\n", + " PeriodicSite: Li (11.71, 17.55, 14.86) [0.5763, 0.8642, 0.7317]\n", + " PeriodicSite: Li (3.687, 9.559, 17.08) [0.1815, 0.4706, 0.841]\n", + " PeriodicSite: Li (5.489, 7.15, 11.23) [0.2702, 0.352, 0.5527]\n", + " PeriodicSite: Li (4.517, 17.42, 1.794) [0.2224, 0.8576, 0.0883]\n", + " PeriodicSite: Li (1.292, 17.81, 10.69) [0.06362, 0.8769, 0.5263]\n", + " PeriodicSite: Li (10.67, 6.709, 3.029) [0.5252, 0.3303, 0.1491]\n", + " PeriodicSite: Li (14.61, 6.779, 11.76) [0.7192, 0.3338, 0.5791]\n", + " PeriodicSite: Li (10.3, 18.87, 2.382) [0.5069, 0.929, 0.1173]\n", + " PeriodicSite: Li (13.61, 15.19, 11.24) [0.67, 0.7476, 0.5535]\n", + " PeriodicSite: Li (2.067, 8.637, 0.7062) [0.1018, 0.4252, 0.03477]\n", + " PeriodicSite: Li (17.18, 5.236, 8.214) [0.8457, 0.2577, 0.4044]\n", + " PeriodicSite: Li (3.252, 20.03, 3.25) [0.1601, 0.9861, 0.16]\n", + " PeriodicSite: Li (0.6957, 19.34, 12.84) [0.03425, 0.9522, 0.6323]\n", + " PeriodicSite: Li (9.266, 6.776, 6.482) [0.4562, 0.3336, 0.3191]\n", + " PeriodicSite: Li (13.3, 11.39, 15.23) [0.6545, 0.5608, 0.7498]\n", + " PeriodicSite: Li (14.57, 16.22, 2.188) [0.7175, 0.7983, 0.1077]\n", + " PeriodicSite: Li (11.98, 14.94, 16.84) [0.5896, 0.7355, 0.8288]\n", + " PeriodicSite: Li (7.142, 9.463, 5.656) [0.3516, 0.4659, 0.2785]\n", + " PeriodicSite: Li (20.01, 12.52, 12.33) [0.9851, 0.6165, 0.6071]\n", + " PeriodicSite: Li (19.92, 16.94, 6.971) [0.9808, 0.8342, 0.3432]\n", + " PeriodicSite: Li (6.816, 18.5, 15.04) [0.3356, 0.911, 0.7406]\n", + " PeriodicSite: Li (16.45, 10.33, 3.477) [0.81, 0.5087, 0.1712]\n", + " PeriodicSite: Li (11.97, 8.612, 10.61) [0.5894, 0.424, 0.5224]\n", + " PeriodicSite: Li (13.47, 16.88, 19.94) [0.6632, 0.8311, 0.9819]\n", + " PeriodicSite: Li (10.92, 18.15, 10.86) [0.5378, 0.8936, 0.5346]\n", + " PeriodicSite: Li (5.122, 2.876, 18.36) [0.2522, 0.1416, 0.9039]\n", + " PeriodicSite: Li (3.36, 9.676, 13.63) [0.1654, 0.4764, 0.6708]\n", + " PeriodicSite: Li (6.513, 0.0361, 3.122) [0.3207, 0.001775, 0.1537]\n", + " PeriodicSite: Li (1.841, 15.37, 13.05) [0.09064, 0.7568, 0.6425]\n", + " PeriodicSite: Li (13.58, 8.497, 4.324) [0.6688, 0.4183, 0.2129]\n", + " PeriodicSite: Li (14.34, 9.465, 13.1) [0.7062, 0.466, 0.6451]\n", + " PeriodicSite: Li (12.87, 19.08, 4.419) [0.6337, 0.9392, 0.2175]\n", + " PeriodicSite: Li (17.69, 4.669, 14.81) [0.8709, 0.2299, 0.729]\n", + " PeriodicSite: Li (9.156, 2.117, 0.9275) [0.4508, 0.1042, 0.04566]\n", + " PeriodicSite: Li (9.687, 2.649, 12.03) [0.4769, 0.1304, 0.5921]\n", + " PeriodicSite: Li (7.797, 12.22, 4.801) [0.3839, 0.6018, 0.2364]\n", + " PeriodicSite: Li (6.854, 12.31, 15.2) [0.3374, 0.6059, 0.7485]\n", + " PeriodicSite: Li (17.92, 3.93, 4.498) [0.8821, 0.1935, 0.2214]\n", + " PeriodicSite: Li (12.86, 4.763, 9.599) [0.6332, 0.2345, 0.4726]\n", + " PeriodicSite: Li (19.79, 12.88, 2.488) [0.974, 0.6342, 0.1225]\n", + " PeriodicSite: Li (17.43, 10.41, 13.5) [0.8581, 0.5126, 0.6647]\n", + " PeriodicSite: Li (6.175, 18.23, 5.505) [0.304, 0.8977, 0.271]\n", + " PeriodicSite: Li (8.484, 3.611, 15.03) [0.4177, 0.1778, 0.74]\n", + " PeriodicSite: Li (4.231, 12.68, 19.46) [0.2083, 0.6244, 0.9581]\n", + " PeriodicSite: Li (9.595, 13.45, 14.72) [0.4724, 0.6624, 0.7247]\n", + " PeriodicSite: Li (14.86, 19.28, 2.754) [0.7314, 0.9491, 0.1356]\n", + " PeriodicSite: Li (19.11, 1.631, 10.71) [0.9408, 0.08027, 0.5274]\n", + " PeriodicSite: Li (17.3, 13.48, 0.2855) [0.8516, 0.6637, 0.01406]\n", + " PeriodicSite: Li (17.41, 15.12, 11.23) [0.8571, 0.7445, 0.5527]\n", + " PeriodicSite: Li (8.169, 3.28, 5.171) [0.4022, 0.1615, 0.2546]\n", + " PeriodicSite: Li (7.851, 0.3962, 11.68) [0.3865, 0.0195, 0.5752]\n", + " PeriodicSite: Li (9.818, 12.63, 2.325) [0.4833, 0.622, 0.1145]\n", + " PeriodicSite: Li (4.652, 13.67, 11.79) [0.229, 0.673, 0.5802]\n", + " PeriodicSite: Li (0.06277, 3.359, 2.979) [0.00309, 0.1653, 0.1467]\n", + " PeriodicSite: Li (0.4197, 7.545, 12.73) [0.02066, 0.3715, 0.6267]\n", + " PeriodicSite: Li (15.3, 13.3, 2.627) [0.753, 0.6546, 0.1294]\n", + " PeriodicSite: Li (15.99, 12.43, 14.58) [0.7871, 0.6119, 0.7177]\n", + " PeriodicSite: Li (3.276, 19.68, 6.866) [0.1613, 0.9687, 0.338]\n", + " PeriodicSite: Li (7.116, 1.184, 14.57) [0.3503, 0.0583, 0.7173]\n", + " PeriodicSite: Li (5.978, 14.01, 1.506) [0.2943, 0.6896, 0.07414]\n", + " PeriodicSite: Li (8.534, 7.042, 15.73) [0.4202, 0.3467, 0.7744]\n", + " PeriodicSite: Li (16.57, 4.305, 1.837) [0.8159, 0.2119, 0.09046]\n", + " PeriodicSite: Li (14.91, 18.18, 12.9) [0.734, 0.8952, 0.635]\n", + " PeriodicSite: Li (13.85, 13.15, 19.65) [0.6818, 0.6472, 0.9672]\n", + " PeriodicSite: Li (18.09, 11.14, 10.76) [0.8908, 0.5484, 0.5298]\n", + " PeriodicSite: Li (8.807, 8.579, 19.9) [0.4336, 0.4224, 0.9796]\n", + " PeriodicSite: Li (5.121, 3.195, 11.85) [0.2521, 0.1573, 0.5834]\n", + " PeriodicSite: Li (8.184, 10.28, 2.116) [0.4029, 0.5059, 0.1042]\n", + " PeriodicSite: Li (8.331, 12.34, 10.47) [0.4101, 0.6073, 0.5154]\n", + " PeriodicSite: Li (15.95, 1.652, 3.349) [0.7854, 0.08133, 0.1649]\n", + " PeriodicSite: Li (16.41, 3.321, 11.03) [0.808, 0.1635, 0.5429]\n", + " PeriodicSite: Li (0.3289, 11.6, 19.13) [0.01619, 0.5709, 0.9418]\n", + " PeriodicSite: Li (18.12, 14.5, 14.18) [0.892, 0.714, 0.6983]\n", + " PeriodicSite: Li (5.958, 2.967, 0.4617) [0.2933, 0.1461, 0.02273]\n", + " PeriodicSite: Li (7.08, 2.827, 10.3) [0.3485, 0.1392, 0.5073]\n", + " PeriodicSite: Li (7.748, 15.16, 3.134) [0.3814, 0.7463, 0.1543]\n", + " PeriodicSite: Li (3.768, 17.17, 11.08) [0.1855, 0.8451, 0.5454]\n", + " PeriodicSite: Li (18.79, 2.026, 0.4128) [0.9248, 0.09974, 0.02033]\n", + " PeriodicSite: Li (2.566, 5.953, 14.82) [0.1263, 0.2931, 0.7297]\n", + " PeriodicSite: Li (5.924, 13.84, 8.848) [0.2917, 0.6811, 0.4356]\n", + " PeriodicSite: Li (15.88, 12.99, 10.59) [0.782, 0.6397, 0.5214]\n", + " PeriodicSite: Li (17.65, 12.62, 4.848) [0.8689, 0.6215, 0.2387]\n", + " PeriodicSite: Li (6.2, 7.824, 16.36) [0.3052, 0.3852, 0.8055]\n", + " PeriodicSite: Li (6.853, 15.01, 12.17) [0.3374, 0.7392, 0.5992]\n", + " PeriodicSite: Li (1.618, 18.7, 0.5976) [0.07967, 0.9205, 0.02942]\n", + " PeriodicSite: Li (17.2, 9.741, 7.447) [0.847, 0.4796, 0.3666]\n", + " PeriodicSite: Li (3.029, 4.945, 18.11) [0.1491, 0.2435, 0.8915]\n", + " PeriodicSite: Li (16.48, 1.465, 6.335) [0.8115, 0.07213, 0.3119]\n", + " PeriodicSite: Li (19.0, 20.11, 18.37) [0.9353, 0.9901, 0.9044]\n", + " PeriodicSite: Li (4.973, 8.021, 6.972) [0.2448, 0.3949, 0.3432]\n", + " PeriodicSite: Li (7.264, 5.112, 18.49) [0.3576, 0.2517, 0.9101]\n", + " PeriodicSite: Li (7.87, 19.91, 7.964) [0.3874, 0.98, 0.3921]\n", + " PeriodicSite: Li (9.191, 16.92, 17.28) [0.4525, 0.8332, 0.8509]\n", + " PeriodicSite: Li (17.22, 7.236, 9.815) [0.8479, 0.3562, 0.4832]\n", + " PeriodicSite: Li (18.51, 7.598, 19.81) [0.9115, 0.3741, 0.9753]\n", + " PeriodicSite: Li (19.12, 19.9, 7.938) [0.9411, 0.9797, 0.3908]\n", + " PeriodicSite: Li (19.81, 16.85, 17.51) [0.9752, 0.8297, 0.8621]\n", + " PeriodicSite: Li (6.972, 5.321, 8.51) [0.3433, 0.262, 0.419]\n", + " PeriodicSite: Li (3.94, 2.16, 15.92) [0.194, 0.1063, 0.7839]\n", + " PeriodicSite: Li (7.445, 16.71, 9.773) [0.3665, 0.8227, 0.4811]\n", + " PeriodicSite: Li (17.65, 10.27, 16.99) [0.8691, 0.5055, 0.8366]\n", + " PeriodicSite: Li (19.87, 8.546, 8.246) [0.978, 0.4207, 0.406]\n", + " PeriodicSite: Li (16.66, 3.613, 19.2) [0.8204, 0.1779, 0.9454]\n", + " PeriodicSite: Li (15.48, 17.31, 8.704) [0.7622, 0.8521, 0.4285]\n", + " PeriodicSite: Li (15.69, 15.24, 18.01) [0.7726, 0.7501, 0.8867]\n", + " PeriodicSite: Li (8.891, 9.1, 8.828) [0.4377, 0.448, 0.4346]\n", + " PeriodicSite: Li (6.631, 5.674, 2.029) [0.3265, 0.2793, 0.09989]\n", + " PeriodicSite: Li (5.167, 16.88, 8.148) [0.2544, 0.8312, 0.4011]\n", + " PeriodicSite: Li (7.919, 12.07, 0.3869) [0.3899, 0.5943, 0.01905]\n", + " PeriodicSite: Li (14.63, 6.686, 7.893) [0.7201, 0.3291, 0.3886]\n", + " PeriodicSite: Li (19.91, 7.252, 16.53) [0.98, 0.357, 0.8136]\n", + " PeriodicSite: Li (16.46, 18.23, 5.76) [0.8105, 0.8977, 0.2836]\n", + " PeriodicSite: Li (15.99, 17.82, 15.97) [0.787, 0.8771, 0.7861]\n", + " PeriodicSite: Li (7.111, 5.088, 12.18) [0.3501, 0.2505, 0.5996]\n", + " PeriodicSite: Li (6.337, 7.292, 19.7) [0.312, 0.359, 0.9697]\n", + " PeriodicSite: Li (9.732, 17.64, 7.789) [0.4791, 0.8683, 0.3835]\n", + " PeriodicSite: Li (12.48, 19.96, 0.4535) [0.6145, 0.9824, 0.02233]\n", + " PeriodicSite: Li (16.39, 8.179, 5.44) [0.8071, 0.4027, 0.2678]\n", + " PeriodicSite: Li (15.01, 6.875, 19.8) [0.739, 0.3385, 0.975]\n", + " PeriodicSite: Li (18.14, 18.25, 10.12) [0.8928, 0.8983, 0.4981]\n", + " PeriodicSite: Li (18.72, 0.06003, 2.062) [0.9216, 0.002947, 0.1015]\n", + " PeriodicSite: Li (5.201, 11.25, 3.004) [0.2561, 0.5538, 0.1479]\n", + " PeriodicSite: Li (10.53, 7.347, 17.87) [0.5185, 0.3617, 0.88]\n", + " PeriodicSite: Li (7.765, 15.81, 6.398) [0.3823, 0.7782, 0.315]\n", + " PeriodicSite: Li (4.696, 19.43, 17.15) [0.2312, 0.9568, 0.8445]\n", + " PeriodicSite: Li (19.12, 7.311, 5.76) [0.9414, 0.3599, 0.2836]\n", + " PeriodicSite: Li (18.53, 10.13, 1.592) [0.9123, 0.4986, 0.07837]\n", + " PeriodicSite: Li (2.888, 14.57, 1.423) [0.1422, 0.7174, 0.07008]\n", + " PeriodicSite: Li (14.64, 2.252, 14.76) [0.721, 0.1109, 0.7265]\n", + " PeriodicSite: Cl (7.592, 12.91, 12.97) [0.3737, 0.6357, 0.6387]\n", + " PeriodicSite: Cl (2.627, 12.27, 17.83) [0.1293, 0.6038, 0.8777]\n", + " PeriodicSite: Cl (12.29, 18.63, 12.57) [0.6049, 0.9171, 0.6189]\n", + " PeriodicSite: Cl (17.86, 7.968, 17.52) [0.8795, 0.3923, 0.8627]\n", + " PeriodicSite: Cl (7.246, 3.054, 2.579) [0.3567, 0.1503, 0.127]\n", + " PeriodicSite: Cl (7.434, 7.931, 7.397) [0.366, 0.3904, 0.3641]\n", + " PeriodicSite: Cl (12.89, 12.92, 7.405) [0.6345, 0.636, 0.3645]\n", + " PeriodicSite: Cl (3.003, 7.334, 2.516) [0.1478, 0.3611, 0.1239]\n", + " PeriodicSite: Cl (2.801, 7.167, 12.93) [0.1379, 0.3529, 0.6363]\n", + " PeriodicSite: Cl (12.63, 12.76, 17.81) [0.6216, 0.628, 0.8768]\n", + " PeriodicSite: Cl (17.64, 17.93, 17.45) [0.8685, 0.8827, 0.8593]\n", + " PeriodicSite: Cl (2.285, 2.88, 7.417) [0.1125, 0.1418, 0.3652]\n", + " PeriodicSite: Cl (12.63, 2.382, 17.81) [0.622, 0.1173, 0.8769]\n", + " PeriodicSite: Cl (12.79, 7.709, 2.32) [0.6298, 0.3795, 0.1142]\n", + " PeriodicSite: Cl (18.14, 2.522, 12.58) [0.893, 0.1241, 0.6193]\n", + " PeriodicSite: Cl (6.915, 17.61, 17.83) [0.3404, 0.8668, 0.878]\n", + " PeriodicSite: Cl (20.24, 0.2365, 20.15) [0.9963, 0.01163, 0.9919]\n", + " PeriodicSite: Cl (0.02821, 19.79, 10.32) [0.001382, 0.9741, 0.5079]\n", + " PeriodicSite: Cl (20.12, 9.588, 20.15) [0.9905, 0.472, 0.992]\n", + " PeriodicSite: Cl (20.08, 10.12, 9.971) [0.9885, 0.4984, 0.4909]\n", + " PeriodicSite: Cl (10.09, 0.1406, 20.26) [0.4968, 0.006919, 0.9974]\n", + " PeriodicSite: Cl (9.695, 0.06846, 10.0) [0.4773, 0.003366, 0.4923]\n", + " PeriodicSite: Cl (9.674, 10.6, 0.4369) [0.4763, 0.5218, 0.02151]\n", + " PeriodicSite: Cl (10.23, 10.52, 9.992) [0.5038, 0.5178, 0.4919]\n", + " PeriodicSite: Cl (19.94, 4.908, 5.125) [0.9818, 0.2416, 0.2523]\n", + " PeriodicSite: Cl (20.22, 4.847, 15.28) [0.9953, 0.2386, 0.7523]\n", + " PeriodicSite: Cl (0.006813, 15.48, 4.947) [0.0003296, 0.762, 0.2436]\n", + " PeriodicSite: Cl (0.1202, 15.16, 14.8) [0.005914, 0.7462, 0.7284]\n", + " PeriodicSite: Cl (9.94, 4.908, 5.142) [0.4894, 0.2416, 0.2531]\n", + " PeriodicSite: Cl (10.18, 5.525, 15.28) [0.5012, 0.272, 0.7524]\n", + " PeriodicSite: Cl (9.535, 14.95, 5.088) [0.4694, 0.736, 0.2505]\n", + " PeriodicSite: Cl (10.25, 15.63, 15.68) [0.5046, 0.7694, 0.772]\n", + " PeriodicSite: S (4.983, 0.1034, 4.92) [0.2453, 0.005087, 0.2422]\n", + " PeriodicSite: S (5.233, 20.19, 15.04) [0.2576, 0.9942, 0.7404]\n", + " PeriodicSite: S (5.08, 10.2, 4.987) [0.2501, 0.5023, 0.2455]\n", + " PeriodicSite: S (5.368, 10.23, 15.36) [0.2643, 0.5036, 0.7561]\n", + " PeriodicSite: S (14.86, 20.27, 5.006) [0.7318, 0.9978, 0.2464]\n", + " PeriodicSite: S (15.08, 20.01, 14.97) [0.7422, 0.9851, 0.7369]\n", + " PeriodicSite: S (15.06, 10.04, 5.256) [0.7414, 0.4945, 0.2588]\n", + " PeriodicSite: S (15.39, 10.07, 15.25) [0.7578, 0.4957, 0.7506]\n", + " PeriodicSite: S (5.652, 5.119, 19.98) [0.2783, 0.252, 0.9837]\n", + " PeriodicSite: S (5.429, 4.949, 10.38) [0.2673, 0.2436, 0.5112]\n", + " PeriodicSite: S (4.56, 14.89, 0.05812) [0.2245, 0.7331, 0.002864]\n", + " PeriodicSite: S (5.143, 15.4, 10.37) [0.2532, 0.7583, 0.5106]\n", + " PeriodicSite: S (15.05, 4.686, 0.08002) [0.7411, 0.2307, 0.003944]\n", + " PeriodicSite: S (15.26, 5.259, 9.722) [0.7515, 0.2589, 0.4786]\n", + " PeriodicSite: S (15.22, 15.02, 0.0639) [0.7493, 0.7394, 0.003151]\n", + " PeriodicSite: S (15.4, 15.25, 9.747) [0.758, 0.7506, 0.4799]\n", + " PeriodicSite: S (9.095, 4.128, 9.043) [0.4478, 0.2032, 0.4452]\n", + " PeriodicSite: S (8.854, 3.679, 19.41) [0.4359, 0.1811, 0.9557]\n", + " PeriodicSite: S (8.797, 14.3, 8.81) [0.4331, 0.7039, 0.4337]\n", + " PeriodicSite: S (8.677, 14.27, 19.6) [0.4272, 0.7027, 0.965]\n", + " PeriodicSite: S (19.03, 3.853, 9.03) [0.937, 0.1897, 0.4446]\n", + " PeriodicSite: S (19.29, 3.692, 19.11) [0.9499, 0.1817, 0.9407]\n", + " PeriodicSite: S (18.88, 14.18, 9.265) [0.9297, 0.698, 0.4561]\n", + " PeriodicSite: S (18.73, 14.97, 18.65) [0.922, 0.7369, 0.9184]\n", + " PeriodicSite: S (4.074, 1.114, 1.403) [0.2006, 0.05483, 0.06907]\n", + " PeriodicSite: S (3.842, 1.186, 11.49) [0.1892, 0.05837, 0.5657]\n", + " PeriodicSite: S (3.909, 10.94, 1.263) [0.1925, 0.5387, 0.06219]\n", + " PeriodicSite: S (4.082, 11.1, 11.44) [0.201, 0.5464, 0.563]\n", + " PeriodicSite: S (14.57, 1.129, 1.303) [0.7171, 0.05558, 0.06415]\n", + " PeriodicSite: S (14.49, 1.853, 11.29) [0.7136, 0.09121, 0.5556]\n", + " PeriodicSite: S (13.97, 11.28, 0.9434) [0.6879, 0.5555, 0.04645]\n", + " PeriodicSite: S (13.67, 11.27, 11.39) [0.6732, 0.5549, 0.5609]\n", + " PeriodicSite: S (6.037, 0.821, 8.965) [0.2972, 0.04042, 0.4413]\n", + " PeriodicSite: S (6.398, 1.071, 19.6) [0.315, 0.05273, 0.9651]\n", + " PeriodicSite: S (6.349, 11.43, 8.96) [0.3126, 0.5629, 0.4411]\n", + " PeriodicSite: S (6.341, 11.15, 19.21) [0.3122, 0.5489, 0.9459]\n", + " PeriodicSite: S (16.86, 1.389, 9.048) [0.8298, 0.06837, 0.4455]\n", + " PeriodicSite: S (16.87, 1.256, 18.89) [0.8306, 0.06184, 0.9301]\n", + " PeriodicSite: S (16.23, 11.15, 8.913) [0.7992, 0.5491, 0.4388]\n", + " PeriodicSite: S (16.58, 11.64, 19.0) [0.8163, 0.5729, 0.9353]\n", + " PeriodicSite: S (1.439, 4.137, 1.265) [0.07087, 0.2037, 0.06225]\n", + " PeriodicSite: S (1.227, 3.479, 11.16) [0.0604, 0.1713, 0.5493]\n", + " PeriodicSite: S (0.5203, 13.53, 0.4709) [0.02561, 0.6662, 0.02319]\n", + " PeriodicSite: S (1.346, 13.95, 11.13) [0.06625, 0.6868, 0.5481]\n", + " PeriodicSite: S (11.16, 3.657, 1.357) [0.5495, 0.1801, 0.0668]\n", + " PeriodicSite: S (11.62, 4.202, 11.23) [0.572, 0.2069, 0.5527]\n", + " PeriodicSite: S (11.19, 13.95, 1.222) [0.5507, 0.6868, 0.06016]\n", + " PeriodicSite: S (11.03, 13.95, 11.33) [0.5428, 0.6867, 0.558]\n", + " PeriodicSite: S (2.896, 2.566, 17.88) [0.1426, 0.1263, 0.8804]\n", + " PeriodicSite: S (2.513, 12.31, 7.695) [0.1237, 0.6059, 0.3788]\n", + " PeriodicSite: S (12.57, 2.528, 7.987) [0.6187, 0.1244, 0.3932]\n", + " PeriodicSite: S (8.889, 8.916, 3.922) [0.4376, 0.4389, 0.1931]\n", + " PeriodicSite: S (8.656, 9.346, 14.4) [0.4262, 0.4601, 0.709]\n", + " PeriodicSite: S (8.635, 19.22, 4.137) [0.4251, 0.9462, 0.2037]\n", + " PeriodicSite: S (9.122, 19.56, 14.0) [0.4491, 0.9628, 0.6895]\n", + " PeriodicSite: S (18.88, 9.183, 3.966) [0.9295, 0.4521, 0.1953]\n", + " PeriodicSite: S (19.19, 9.051, 14.01) [0.9447, 0.4456, 0.6897]\n", + " PeriodicSite: S (19.02, 18.98, 3.863) [0.9364, 0.9343, 0.1902]\n", + " PeriodicSite: S (18.95, 19.22, 13.98) [0.9331, 0.9461, 0.688]\n", + " PeriodicSite: S (3.414, 6.179, 6.368) [0.1681, 0.3042, 0.3135]\n", + " PeriodicSite: S (4.241, 6.159, 16.5) [0.2088, 0.3032, 0.8124]\n", + " PeriodicSite: S (3.73, 15.88, 6.448) [0.1836, 0.782, 0.3174]\n", + " PeriodicSite: S (3.534, 16.49, 16.31) [0.174, 0.812, 0.8028]\n", + " PeriodicSite: S (13.73, 6.166, 5.833) [0.6761, 0.3035, 0.2872]\n", + " PeriodicSite: S (13.87, 6.338, 16.91) [0.683, 0.312, 0.8323]\n", + " PeriodicSite: S (14.38, 16.7, 6.394) [0.7082, 0.8223, 0.3148]\n", + " PeriodicSite: S (13.81, 16.53, 15.73) [0.6796, 0.8137, 0.7744]\n", + " PeriodicSite: S (6.165, 6.385, 4.345) [0.3035, 0.3144, 0.2139]\n", + " PeriodicSite: S (6.557, 6.138, 14.18) [0.3228, 0.3022, 0.6979]\n", + " PeriodicSite: S (5.934, 16.32, 3.813) [0.2921, 0.8032, 0.1877]\n", + " PeriodicSite: S (6.238, 16.27, 14.34) [0.3071, 0.8011, 0.7061]\n", + " PeriodicSite: S (16.67, 6.244, 3.952) [0.8205, 0.3074, 0.1946]\n", + " PeriodicSite: S (16.05, 6.485, 14.18) [0.7901, 0.3193, 0.6983]\n", + " PeriodicSite: S (16.65, 16.4, 3.792) [0.8195, 0.8075, 0.1867]\n", + " PeriodicSite: S (16.26, 16.24, 13.59) [0.8004, 0.7996, 0.669]\n", + " PeriodicSite: S (0.7699, 9.204, 6.364) [0.0379, 0.4531, 0.3133]\n", + " PeriodicSite: S (1.445, 8.71, 16.0) [0.07116, 0.4288, 0.7877]\n", + " PeriodicSite: S (1.105, 19.0, 6.081) [0.05441, 0.9354, 0.2994]\n", + " PeriodicSite: S (0.7551, 19.02, 16.46) [0.03717, 0.9364, 0.8105]\n", + " PeriodicSite: S (11.43, 8.414, 5.942) [0.5628, 0.4142, 0.2925]\n", + " PeriodicSite: S (11.38, 9.354, 16.84) [0.5601, 0.4605, 0.829]\n", + " PeriodicSite: S (11.1, 18.98, 6.262) [0.5467, 0.9345, 0.3083]\n", + " PeriodicSite: S (11.43, 19.45, 16.19) [0.5628, 0.9573, 0.7968]\n", + " PeriodicSite: S (2.391, 17.68, 2.569) [0.1177, 0.8702, 0.1265]\n", + " PeriodicSite: S (2.55, 17.92, 12.83) [0.1255, 0.8822, 0.6314]\n", + " PeriodicSite: S (12.57, 7.941, 13.02) [0.6189, 0.3909, 0.6411]\n", + " PeriodicSite: S (12.71, 18.06, 1.941) [0.626, 0.8891, 0.09555]\n", + " PeriodicSite: S (3.807, 3.97, 3.904) [0.1874, 0.1954, 0.1922]\n", + " PeriodicSite: S (3.854, 3.876, 14.07) [0.1897, 0.1908, 0.6927]\n", + " PeriodicSite: S (3.848, 13.57, 3.968) [0.1894, 0.6682, 0.1953]\n", + " PeriodicSite: S (3.763, 14.1, 14.02) [0.1853, 0.694, 0.6904]\n", + " PeriodicSite: S (14.62, 3.759, 3.754) [0.7196, 0.1851, 0.1848]\n", + " PeriodicSite: S (13.58, 4.351, 14.09) [0.6685, 0.2142, 0.6938]\n", + " PeriodicSite: S (13.87, 14.47, 3.956) [0.6827, 0.7125, 0.1948]\n", + " PeriodicSite: S (14.02, 13.9, 13.6) [0.6901, 0.6842, 0.6696]\n", + " PeriodicSite: S (8.577, 1.382, 6.443) [0.4223, 0.06802, 0.3172]\n", + " PeriodicSite: S (8.842, 1.292, 16.72) [0.4353, 0.06361, 0.8234]\n", + " PeriodicSite: S (9.337, 10.77, 6.487) [0.4597, 0.5304, 0.3194]\n", + " PeriodicSite: S (9.064, 11.79, 16.59) [0.4462, 0.5802, 0.817]\n", + " PeriodicSite: S (18.98, 1.17, 6.058) [0.9343, 0.05758, 0.2982]\n", + " PeriodicSite: S (19.13, 1.483, 16.36) [0.9418, 0.07302, 0.8053]\n", + " PeriodicSite: S (18.58, 11.54, 6.63) [0.9145, 0.5682, 0.3264]\n", + " PeriodicSite: S (19.87, 11.31, 16.62) [0.9784, 0.5567, 0.818]\n", + " PeriodicSite: S (1.227, 1.2, 3.854) [0.0604, 0.05908, 0.1898]\n", + " PeriodicSite: S (1.154, 0.9419, 14.07) [0.05681, 0.04637, 0.6928]\n", + " PeriodicSite: S (0.7607, 11.77, 4.135) [0.03745, 0.5792, 0.2036]\n", + " PeriodicSite: S (1.417, 11.31, 13.81) [0.06976, 0.5566, 0.6799]\n", + " PeriodicSite: S (11.18, 1.042, 4.099) [0.5502, 0.05128, 0.2018]\n", + " PeriodicSite: S (11.03, 1.798, 14.23) [0.5429, 0.0885, 0.7005]\n", + " PeriodicSite: S (11.44, 11.37, 3.819) [0.5631, 0.5598, 0.188]\n", + " PeriodicSite: S (11.18, 11.42, 14.12) [0.5505, 0.562, 0.6952]\n", + " PeriodicSite: S (5.764, 3.914, 6.678) [0.2838, 0.1927, 0.3288]\n", + " PeriodicSite: S (6.343, 3.554, 16.16) [0.3123, 0.175, 0.7956]\n", + " PeriodicSite: S (6.359, 13.9, 6.059) [0.3131, 0.6845, 0.2983]\n", + " PeriodicSite: S (5.667, 13.83, 16.57) [0.279, 0.6808, 0.8155]\n", + " PeriodicSite: S (16.24, 3.931, 6.42) [0.7996, 0.1935, 0.3161]\n", + " PeriodicSite: S (16.03, 3.698, 16.18) [0.7892, 0.182, 0.7967]\n", + " PeriodicSite: S (16.29, 13.95, 6.295) [0.8021, 0.6869, 0.3099]\n", + " PeriodicSite: S (16.12, 14.01, 16.03) [0.7936, 0.6897, 0.7891]\n", + " PeriodicSite: S (7.381, 2.514, 12.51) [0.3634, 0.1238, 0.6161]\n", + " PeriodicSite: S (7.545, 12.58, 2.54) [0.3714, 0.6194, 0.125]\n", + " PeriodicSite: S (18.05, 2.471, 2.407) [0.8885, 0.1217, 0.1185]\n", + " PeriodicSite: S (17.48, 12.52, 2.454) [0.8607, 0.6162, 0.1208]\n", + " PeriodicSite: S (17.54, 12.53, 12.43) [0.8635, 0.6169, 0.6118]\n", + " PeriodicSite: S (4.225, 8.639, 9.236) [0.208, 0.4253, 0.4547]\n", + " PeriodicSite: S (3.989, 8.695, 19.41) [0.1964, 0.428, 0.9558]\n", + " PeriodicSite: S (3.529, 19.14, 9.148) [0.1737, 0.9422, 0.4503]\n", + " PeriodicSite: S (3.627, 19.32, 19.33) [0.1786, 0.951, 0.9515]\n", + " PeriodicSite: S (13.91, 8.844, 9.091) [0.685, 0.4354, 0.4476]\n", + " PeriodicSite: S (14.32, 8.967, 18.84) [0.705, 0.4415, 0.9275]\n", + " PeriodicSite: S (14.02, 19.59, 9.426) [0.6902, 0.9643, 0.4641]\n", + " PeriodicSite: S (14.19, 19.31, 19.13) [0.6987, 0.9504, 0.9417]\n", + " PeriodicSite: S (9.259, 6.51, 0.9679) [0.4558, 0.3205, 0.04765]\n", + " PeriodicSite: S (9.227, 6.688, 11.38) [0.4543, 0.3293, 0.5604]\n", + " PeriodicSite: S (9.315, 16.6, 1.678) [0.4586, 0.8171, 0.08262]\n", + " PeriodicSite: S (9.026, 16.32, 11.33) [0.4443, 0.8035, 0.5578]\n", + " PeriodicSite: S (19.21, 6.104, 1.054) [0.9455, 0.3005, 0.05187]\n", + " PeriodicSite: S (19.17, 6.038, 11.52) [0.9439, 0.2972, 0.5672]\n", + " PeriodicSite: S (19.17, 16.17, 1.466) [0.9438, 0.796, 0.07215]\n", + " PeriodicSite: S (19.45, 16.6, 11.57) [0.9573, 0.8174, 0.5697]\n", + " PeriodicSite: S (1.533, 6.214, 9.567) [0.07545, 0.3059, 0.471]\n", + " PeriodicSite: S (1.138, 6.39, 18.85) [0.05601, 0.3146, 0.9278]\n", + " PeriodicSite: S (1.374, 16.15, 8.864) [0.06765, 0.7953, 0.4364]\n", + " PeriodicSite: S (0.9971, 16.55, 19.22) [0.04908, 0.8148, 0.9461]\n", + " PeriodicSite: S (11.39, 6.478, 8.777) [0.561, 0.3189, 0.4321]\n", + " PeriodicSite: S (11.65, 5.547, 18.92) [0.5734, 0.2731, 0.9315]\n", + " PeriodicSite: S (11.31, 16.51, 8.985) [0.5567, 0.8129, 0.4424]\n", + " PeriodicSite: S (11.18, 16.4, 19.11) [0.5504, 0.8074, 0.941]\n", + " PeriodicSite: S (6.334, 8.855, 1.486) [0.3118, 0.4359, 0.07314]\n", + " PeriodicSite: S (6.854, 9.129, 11.22) [0.3374, 0.4494, 0.5524]\n", + " PeriodicSite: S (6.331, 18.77, 1.317) [0.3117, 0.9239, 0.06483]\n", + " PeriodicSite: S (6.086, 19.0, 11.57) [0.2996, 0.9355, 0.5698]\n", + " PeriodicSite: S (16.51, 8.989, 1.152) [0.8126, 0.4425, 0.05674]\n", + " PeriodicSite: S (16.15, 9.009, 11.58) [0.7952, 0.4435, 0.5701]\n", + " PeriodicSite: S (16.72, 18.96, 0.9961) [0.8233, 0.9334, 0.04905]\n", + " PeriodicSite: S (16.3, 19.31, 11.47) [0.8026, 0.9507, 0.5649]\n", + " PeriodicSite: S (8.002, 7.626, 17.97) [0.394, 0.3754, 0.8849]\n", + " PeriodicSite: S (7.251, 17.76, 7.651) [0.3569, 0.8741, 0.3766]\n", + " PeriodicSite: S (17.75, 7.45, 7.673) [0.8739, 0.3668, 0.3778]\n", + " PeriodicSite: S (17.78, 17.91, 7.759) [0.8754, 0.8816, 0.382]\n", + " PeriodicSite: P (5.139, 20.13, 0.2733) [0.253, 0.9908, 0.01346]\n", + " PeriodicSite: P (4.838, 20.1, 10.4) [0.2382, 0.9897, 0.5118]\n", + " PeriodicSite: P (5.268, 9.949, 0.09139) [0.2593, 0.4898, 0.004501]\n", + " PeriodicSite: P (5.308, 10.13, 10.16) [0.2613, 0.4986, 0.5002]\n", + " PeriodicSite: P (15.67, 0.07647, 20.11) [0.7714, 0.003759, 0.9898]\n", + " PeriodicSite: P (15.43, 0.4099, 10.26) [0.7597, 0.02017, 0.5053]\n", + " PeriodicSite: P (15.4, 10.22, 20.09) [0.7583, 0.5032, 0.9891]\n", + " PeriodicSite: P (15.09, 10.21, 10.18) [0.743, 0.5025, 0.5012]\n", + " PeriodicSite: P (4.839, 5.088, 5.367) [0.2382, 0.2505, 0.2642]\n", + " PeriodicSite: P (5.249, 4.884, 15.16) [0.2584, 0.2404, 0.7463]\n", + " PeriodicSite: P (4.892, 14.96, 4.99) [0.2408, 0.7364, 0.2457]\n", + " PeriodicSite: P (4.785, 15.22, 15.34) [0.2356, 0.7494, 0.755]\n", + " PeriodicSite: P (15.28, 5.038, 5.006) [0.7524, 0.248, 0.2465]\n", + " PeriodicSite: P (14.85, 5.284, 15.39) [0.7309, 0.2601, 0.7575]\n", + " PeriodicSite: P (15.42, 15.35, 5.125) [0.7589, 0.7557, 0.2523]\n", + " PeriodicSite: P (14.99, 15.2, 14.75) [0.738, 0.7483, 0.7262]\n", + " PeriodicSite: P (20.29, 20.29, 4.917) [0.9987, 0.9987, 0.2421]\n", + " PeriodicSite: P (20.04, 0.02345, 15.25) [0.9864, 0.001146, 0.7509]\n", + " PeriodicSite: P (19.72, 10.49, 5.297) [0.971, 0.5166, 0.2608]\n", + " PeriodicSite: P (0.2443, 10.11, 15.13) [0.01203, 0.4976, 0.7447]\n", + " PeriodicSite: P (9.923, 0.06382, 5.271) [0.4885, 0.003138, 0.2595]\n", + " PeriodicSite: P (10.05, 0.4577, 15.33) [0.4949, 0.02253, 0.7545]\n", + " PeriodicSite: P (10.33, 9.845, 4.969) [0.5087, 0.4847, 0.2446]\n", + " PeriodicSite: P (10.1, 10.38, 15.57) [0.4971, 0.5112, 0.7665]\n", + " PeriodicSite: P (0.1694, 4.988, 20.1) [0.008344, 0.2456, 0.9898]\n", + " PeriodicSite: P (0.08765, 4.924, 10.25) [0.004316, 0.2424, 0.5045]\n", + " PeriodicSite: P (19.99, 15.27, 20.17) [0.9839, 0.7519, 0.993]\n", + " PeriodicSite: P (0.05083, 15.26, 10.17) [0.002498, 0.7514, 0.5007]\n", + " PeriodicSite: P (10.27, 4.845, 0.01686) [0.5058, 0.2385, 0.000833]\n", + " PeriodicSite: P (10.32, 5.541, 10.2) [0.5082, 0.2728, 0.5022]\n", + " PeriodicSite: P (10.13, 15.32, 0.1923) [0.4988, 0.7543, 0.009473]\n", + " PeriodicSite: P (10.1, 15.24, 10.07) [0.4973, 0.7502, 0.4959],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.143, 5.968, 4.482) [0.1055, 0.2938, 0.2207]\n", + " PeriodicSite: Li (20.1, 3.66, 13.06) [0.9894, 0.1802, 0.6431]\n", + " PeriodicSite: Li (0.02399, 12.04, 8.179) [0.001178, 0.5928, 0.4027]\n", + " PeriodicSite: Li (0.4365, 13.23, 15.62) [0.02149, 0.6515, 0.769]\n", + " PeriodicSite: Li (13.74, 0.3362, 6.998) [0.6763, 0.01655, 0.3445]\n", + " PeriodicSite: Li (11.67, 3.774, 16.38) [0.5743, 0.1858, 0.8064]\n", + " PeriodicSite: Li (14.48, 12.16, 6.089) [0.7127, 0.5987, 0.2998]\n", + " PeriodicSite: Li (15.5, 8.332, 16.11) [0.7631, 0.4102, 0.7931]\n", + " PeriodicSite: Li (3.342, 4.577, 8.383) [0.1645, 0.2253, 0.4127]\n", + " PeriodicSite: Li (3.033, 3.07, 20.18) [0.1493, 0.1511, 0.9933]\n", + " PeriodicSite: Li (4.698, 8.15, 3.498) [0.2313, 0.4012, 0.1722]\n", + " PeriodicSite: Li (7.235, 9.964, 16.9) [0.3562, 0.4905, 0.8319]\n", + " PeriodicSite: Li (11.66, 4.492, 6.845) [0.5742, 0.2211, 0.337]\n", + " PeriodicSite: Li (13.75, 0.2004, 16.86) [0.6769, 0.009862, 0.83]\n", + " PeriodicSite: Li (10.42, 9.713, 12.44) [0.513, 0.4782, 0.6124]\n", + " PeriodicSite: Li (7.522, 19.3, 19.9) [0.3703, 0.9502, 0.9798]\n", + " PeriodicSite: Li (6.387, 1.171, 6.344) [0.3144, 0.05762, 0.3123]\n", + " PeriodicSite: Li (2.988, 20.12, 13.1) [0.1471, 0.9907, 0.645]\n", + " PeriodicSite: Li (2.71, 11.09, 5.433) [0.1334, 0.5459, 0.2675]\n", + " PeriodicSite: Li (6.182, 10.88, 13.36) [0.3044, 0.5356, 0.6575]\n", + " PeriodicSite: Li (12.95, 1.516, 9.882) [0.6378, 0.07465, 0.4865]\n", + " PeriodicSite: Li (10.87, 1.401, 18.61) [0.5352, 0.06896, 0.9163]\n", + " PeriodicSite: Li (14.31, 14.58, 8.068) [0.7046, 0.7177, 0.3972]\n", + " PeriodicSite: Li (11.8, 9.404, 1.449) [0.5811, 0.463, 0.07136]\n", + " PeriodicSite: Li (20.25, 3.206, 6.76) [0.9969, 0.1578, 0.3328]\n", + " PeriodicSite: Li (0.9289, 2.722, 16.05) [0.04573, 0.134, 0.79]\n", + " PeriodicSite: Li (1.915, 13.98, 5.869) [0.09429, 0.6883, 0.2889]\n", + " PeriodicSite: Li (3.156, 15.75, 18.88) [0.1554, 0.7753, 0.9292]\n", + " PeriodicSite: Li (13.71, 2.216, 5.419) [0.6748, 0.1091, 0.2668]\n", + " PeriodicSite: Li (17.03, 0.3391, 16.96) [0.8385, 0.01669, 0.8349]\n", + " PeriodicSite: Li (12.2, 12.17, 9.791) [0.6006, 0.5992, 0.482]\n", + " PeriodicSite: Li (16.76, 16.85, 0.06391) [0.8251, 0.8293, 0.003152]\n", + " PeriodicSite: Li (4.927, 2.089, 3.721) [0.2426, 0.1028, 0.1832]\n", + " PeriodicSite: Li (0.4096, 17.4, 2.988) [0.02016, 0.8566, 0.1471]\n", + " PeriodicSite: Li (3.038, 13.88, 8.981) [0.1496, 0.6832, 0.4421]\n", + " PeriodicSite: Li (1.656, 17.4, 15.11) [0.08155, 0.8564, 0.7441]\n", + " PeriodicSite: Li (15.03, 3.052, 8.137) [0.7402, 0.1503, 0.4006]\n", + " PeriodicSite: Li (14.04, 4.76, 18.24) [0.6913, 0.2343, 0.8981]\n", + " PeriodicSite: Li (17.48, 15.25, 8.35) [0.8604, 0.7509, 0.4111]\n", + " PeriodicSite: Li (10.48, 12.32, 19.03) [0.516, 0.6066, 0.9367]\n", + " PeriodicSite: Li (2.939, 1.847, 5.478) [0.1447, 0.09092, 0.2697]\n", + " PeriodicSite: Li (2.12, 0.3387, 18.63) [0.1044, 0.01667, 0.917]\n", + " PeriodicSite: Li (4.894, 11.5, 7.518) [0.2409, 0.5661, 0.3701]\n", + " PeriodicSite: Li (18.48, 15.33, 3.674) [0.9098, 0.7547, 0.1809]\n", + " PeriodicSite: Li (10.53, 2.091, 7.642) [0.5185, 0.1029, 0.3762]\n", + " PeriodicSite: Li (16.51, 0.5255, 13.16) [0.8126, 0.02587, 0.6478]\n", + " PeriodicSite: Li (13.44, 9.861, 6.865) [0.6618, 0.4855, 0.338]\n", + " PeriodicSite: Li (14.43, 10.89, 17.63) [0.7106, 0.5362, 0.8677]\n", + " PeriodicSite: Li (3.667, 12.02, 15.44) [0.1805, 0.5917, 0.7601]\n", + " PeriodicSite: Li (1.949, 9.905, 8.753) [0.09595, 0.4876, 0.4309]\n", + " PeriodicSite: Li (2.659, 16.31, 4.308) [0.1309, 0.8029, 0.2121]\n", + " PeriodicSite: Li (1.768, 1.231, 9.372) [0.08704, 0.0606, 0.4614]\n", + " PeriodicSite: Li (13.39, 5.9, 0.8902) [0.659, 0.2905, 0.04383]\n", + " PeriodicSite: Li (12.46, 7.918, 14.98) [0.6135, 0.3898, 0.7375]\n", + " PeriodicSite: Li (11.16, 13.45, 6.684) [0.5495, 0.6623, 0.3291]\n", + " PeriodicSite: Li (12.67, 19.99, 14.09) [0.6238, 0.9843, 0.6937]\n", + " PeriodicSite: Li (3.122, 5.885, 0.8607) [0.1537, 0.2897, 0.04238]\n", + " PeriodicSite: Li (3.176, 5.102, 12.09) [0.1563, 0.2512, 0.595]\n", + " PeriodicSite: Li (6.424, 15.99, 18.94) [0.3162, 0.7871, 0.9324]\n", + " PeriodicSite: Li (4.142, 17.93, 14.27) [0.2039, 0.883, 0.7025]\n", + " PeriodicSite: Li (13.72, 3.169, 0.01838) [0.6753, 0.156, 0.0009089]\n", + " PeriodicSite: Li (10.67, 6.592, 13.02) [0.5252, 0.3246, 0.6411]\n", + " PeriodicSite: Li (11.97, 15.86, 3.49) [0.5895, 0.781, 0.1718]\n", + " PeriodicSite: Li (10.75, 17.13, 14.0) [0.5293, 0.8435, 0.6892]\n", + " PeriodicSite: Li (3.725, 9.708, 17.22) [0.1834, 0.4779, 0.8478]\n", + " PeriodicSite: Li (4.821, 7.564, 10.96) [0.2373, 0.3724, 0.5395]\n", + " PeriodicSite: Li (4.932, 16.96, 1.314) [0.2428, 0.8349, 0.0647]\n", + " PeriodicSite: Li (1.378, 18.18, 10.48) [0.06782, 0.8948, 0.5159]\n", + " PeriodicSite: Li (10.73, 6.73, 3.358) [0.5282, 0.3313, 0.1653]\n", + " PeriodicSite: Li (14.11, 6.113, 12.58) [0.6947, 0.301, 0.6195]\n", + " PeriodicSite: Li (10.51, 18.27, 1.878) [0.5174, 0.8994, 0.09247]\n", + " PeriodicSite: Li (13.88, 15.34, 12.02) [0.6832, 0.755, 0.592]\n", + " PeriodicSite: Li (1.894, 8.471, 0.4371) [0.09325, 0.417, 0.02152]\n", + " PeriodicSite: Li (17.19, 5.358, 8.055) [0.8462, 0.2638, 0.3966]\n", + " PeriodicSite: Li (3.335, 19.73, 3.19) [0.1642, 0.9713, 0.1571]\n", + " PeriodicSite: Li (0.1022, 19.64, 12.53) [0.005027, 0.967, 0.6169]\n", + " PeriodicSite: Li (9.954, 7.086, 6.629) [0.4901, 0.3488, 0.3264]\n", + " PeriodicSite: Li (12.9, 11.94, 15.61) [0.6352, 0.5876, 0.7683]\n", + " PeriodicSite: Li (14.57, 16.13, 2.111) [0.7173, 0.794, 0.1039]\n", + " PeriodicSite: Li (12.03, 15.14, 17.4) [0.5924, 0.7453, 0.8566]\n", + " PeriodicSite: Li (7.206, 8.389, 5.436) [0.3547, 0.413, 0.2676]\n", + " PeriodicSite: Li (20.29, 11.96, 12.46) [0.9989, 0.5888, 0.6133]\n", + " PeriodicSite: Li (19.82, 17.0, 6.815) [0.9755, 0.8367, 0.3355]\n", + " PeriodicSite: Li (6.862, 19.1, 15.74) [0.3378, 0.9403, 0.7751]\n", + " PeriodicSite: Li (15.76, 10.4, 2.867) [0.7758, 0.5118, 0.1412]\n", + " PeriodicSite: Li (11.65, 7.966, 10.31) [0.5737, 0.3922, 0.5074]\n", + " PeriodicSite: Li (13.33, 17.41, 0.1813) [0.6564, 0.8571, 0.008932]\n", + " PeriodicSite: Li (10.95, 18.16, 10.66) [0.5392, 0.8938, 0.5251]\n", + " PeriodicSite: Li (4.941, 2.994, 18.08) [0.2433, 0.1474, 0.8902]\n", + " PeriodicSite: Li (3.533, 9.773, 13.98) [0.1739, 0.4811, 0.6883]\n", + " PeriodicSite: Li (6.68, 0.3029, 2.838) [0.3289, 0.01491, 0.1397]\n", + " PeriodicSite: Li (1.493, 15.5, 12.93) [0.0735, 0.7629, 0.6366]\n", + " PeriodicSite: Li (13.85, 8.481, 4.322) [0.6819, 0.4175, 0.2128]\n", + " PeriodicSite: Li (14.16, 9.594, 13.42) [0.697, 0.4723, 0.6607]\n", + " PeriodicSite: Li (12.79, 18.98, 4.837) [0.6298, 0.9344, 0.2381]\n", + " PeriodicSite: Li (17.55, 4.321, 14.87) [0.8639, 0.2127, 0.7319]\n", + " PeriodicSite: Li (9.641, 2.033, 1.948) [0.4747, 0.1001, 0.09592]\n", + " PeriodicSite: Li (10.11, 2.451, 12.21) [0.4978, 0.1207, 0.601]\n", + " PeriodicSite: Li (7.354, 11.86, 5.097) [0.3621, 0.5838, 0.2509]\n", + " PeriodicSite: Li (6.87, 12.37, 15.86) [0.3382, 0.6088, 0.781]\n", + " PeriodicSite: Li (18.1, 3.958, 4.796) [0.8912, 0.1949, 0.2361]\n", + " PeriodicSite: Li (13.22, 4.955, 9.748) [0.6509, 0.244, 0.4799]\n", + " PeriodicSite: Li (19.66, 12.88, 2.249) [0.9678, 0.6339, 0.1107]\n", + " PeriodicSite: Li (17.51, 10.42, 13.56) [0.8623, 0.5131, 0.6677]\n", + " PeriodicSite: Li (7.038, 18.41, 5.369) [0.3465, 0.9062, 0.2643]\n", + " PeriodicSite: Li (8.506, 2.985, 14.96) [0.4188, 0.147, 0.7365]\n", + " PeriodicSite: Li (4.542, 12.75, 19.13) [0.2236, 0.6278, 0.9416]\n", + " PeriodicSite: Li (9.851, 14.12, 13.28) [0.485, 0.6951, 0.654]\n", + " PeriodicSite: Li (15.15, 18.98, 2.894) [0.7461, 0.9344, 0.1425]\n", + " PeriodicSite: Li (18.77, 1.835, 10.17) [0.924, 0.09035, 0.5009]\n", + " PeriodicSite: Li (17.34, 14.03, 0.7534) [0.8536, 0.6908, 0.0371]\n", + " PeriodicSite: Li (17.78, 14.9, 11.32) [0.8751, 0.7335, 0.5573]\n", + " PeriodicSite: Li (8.072, 3.834, 4.933) [0.3974, 0.1887, 0.2429]\n", + " PeriodicSite: Li (8.122, 0.1348, 11.85) [0.3999, 0.006635, 0.5833]\n", + " PeriodicSite: Li (9.882, 12.36, 2.602) [0.4865, 0.6083, 0.1281]\n", + " PeriodicSite: Li (4.31, 13.94, 12.11) [0.2122, 0.6863, 0.5959]\n", + " PeriodicSite: Li (0.4445, 3.012, 3.187) [0.02188, 0.1483, 0.1569]\n", + " PeriodicSite: Li (0.1265, 7.906, 11.79) [0.006226, 0.3892, 0.5804]\n", + " PeriodicSite: Li (14.99, 13.34, 2.033) [0.7382, 0.6567, 0.1001]\n", + " PeriodicSite: Li (16.06, 12.39, 14.06) [0.7908, 0.6102, 0.6921]\n", + " PeriodicSite: Li (3.468, 19.24, 6.519) [0.1707, 0.9471, 0.3209]\n", + " PeriodicSite: Li (6.685, 1.067, 14.18) [0.3291, 0.05253, 0.6981]\n", + " PeriodicSite: Li (5.25, 13.37, 2.115) [0.2585, 0.6581, 0.1041]\n", + " PeriodicSite: Li (8.084, 6.958, 15.25) [0.398, 0.3426, 0.7508]\n", + " PeriodicSite: Li (16.97, 4.642, 1.658) [0.8355, 0.2285, 0.08162]\n", + " PeriodicSite: Li (15.06, 18.17, 12.32) [0.7413, 0.8945, 0.6065]\n", + " PeriodicSite: Li (14.19, 13.6, 19.43) [0.6986, 0.6696, 0.9564]\n", + " PeriodicSite: Li (17.87, 10.92, 10.74) [0.8797, 0.5375, 0.5287]\n", + " PeriodicSite: Li (8.697, 8.101, 19.78) [0.4281, 0.3988, 0.9736]\n", + " PeriodicSite: Li (5.187, 3.179, 12.26) [0.2554, 0.1565, 0.6034]\n", + " PeriodicSite: Li (7.489, 10.1, 2.654) [0.3687, 0.4971, 0.1307]\n", + " PeriodicSite: Li (8.641, 12.29, 10.29) [0.4254, 0.6053, 0.5067]\n", + " PeriodicSite: Li (15.81, 1.712, 3.385) [0.7782, 0.08429, 0.1667]\n", + " PeriodicSite: Li (16.8, 3.863, 10.67) [0.8269, 0.1902, 0.5253]\n", + " PeriodicSite: Li (0.3082, 11.3, 18.56) [0.01517, 0.5564, 0.9136]\n", + " PeriodicSite: Li (17.97, 14.6, 14.47) [0.8849, 0.7186, 0.7122]\n", + " PeriodicSite: Li (6.779, 3.286, 0.3203) [0.3337, 0.1618, 0.01577]\n", + " PeriodicSite: Li (6.782, 3.251, 10.22) [0.3339, 0.16, 0.5033]\n", + " PeriodicSite: Li (7.906, 14.83, 3.046) [0.3892, 0.7299, 0.1499]\n", + " PeriodicSite: Li (4.306, 17.34, 11.32) [0.212, 0.8535, 0.5575]\n", + " PeriodicSite: Li (19.91, 2.698, 0.9318) [0.98, 0.1328, 0.04588]\n", + " PeriodicSite: Li (2.301, 5.834, 14.72) [0.1133, 0.2872, 0.7246]\n", + " PeriodicSite: Li (6.392, 13.75, 9.1) [0.3147, 0.6768, 0.448]\n", + " PeriodicSite: Li (16.05, 13.07, 10.77) [0.7903, 0.6436, 0.5304]\n", + " PeriodicSite: Li (17.25, 12.04, 4.747) [0.8494, 0.5928, 0.2337]\n", + " PeriodicSite: Li (5.243, 8.058, 15.23) [0.2581, 0.3967, 0.7495]\n", + " PeriodicSite: Li (6.704, 15.18, 12.15) [0.33, 0.7474, 0.5981]\n", + " PeriodicSite: Li (1.635, 18.51, 0.5088) [0.0805, 0.9113, 0.02505]\n", + " PeriodicSite: Li (17.38, 9.852, 7.485) [0.8554, 0.485, 0.3685]\n", + " PeriodicSite: Li (3.139, 4.865, 18.51) [0.1545, 0.2395, 0.9115]\n", + " PeriodicSite: Li (16.78, 0.862, 6.279) [0.8259, 0.04243, 0.3091]\n", + " PeriodicSite: Li (18.97, 19.47, 18.87) [0.934, 0.9586, 0.9291]\n", + " PeriodicSite: Li (4.638, 8.201, 6.89) [0.2284, 0.4037, 0.3392]\n", + " PeriodicSite: Li (7.54, 5.135, 17.99) [0.3712, 0.2528, 0.8857]\n", + " PeriodicSite: Li (8.404, 19.49, 8.571) [0.4137, 0.9594, 0.422]\n", + " PeriodicSite: Li (9.206, 15.84, 17.47) [0.4532, 0.78, 0.8602]\n", + " PeriodicSite: Li (17.33, 6.798, 10.5) [0.8532, 0.3347, 0.517]\n", + " PeriodicSite: Li (18.58, 8.486, 19.75) [0.9145, 0.4178, 0.9721]\n", + " PeriodicSite: Li (19.14, 19.63, 7.864) [0.9424, 0.9663, 0.3872]\n", + " PeriodicSite: Li (19.31, 16.38, 17.11) [0.9508, 0.8064, 0.8425]\n", + " PeriodicSite: Li (6.142, 5.712, 8.349) [0.3024, 0.2812, 0.411]\n", + " PeriodicSite: Li (3.518, 1.687, 15.41) [0.1732, 0.08306, 0.7586]\n", + " PeriodicSite: Li (7.029, 17.05, 9.58) [0.346, 0.8393, 0.4717]\n", + " PeriodicSite: Li (17.29, 10.38, 16.94) [0.8515, 0.511, 0.8342]\n", + " PeriodicSite: Li (19.62, 7.861, 7.986) [0.9658, 0.387, 0.3931]\n", + " PeriodicSite: Li (17.07, 3.93, 18.87) [0.8405, 0.1935, 0.9289]\n", + " PeriodicSite: Li (15.61, 17.42, 8.719) [0.7682, 0.8576, 0.4293]\n", + " PeriodicSite: Li (15.73, 16.04, 17.82) [0.7746, 0.7898, 0.8771]\n", + " PeriodicSite: Li (8.072, 9.071, 9.596) [0.3974, 0.4466, 0.4724]\n", + " PeriodicSite: Li (6.855, 5.852, 1.324) [0.3375, 0.2881, 0.06521]\n", + " PeriodicSite: Li (5.119, 17.21, 7.916) [0.252, 0.847, 0.3897]\n", + " PeriodicSite: Li (7.673, 12.06, 0.6367) [0.3777, 0.5937, 0.03135]\n", + " PeriodicSite: Li (15.43, 7.362, 8.155) [0.7599, 0.3625, 0.4015]\n", + " PeriodicSite: Li (20.26, 7.12, 17.46) [0.9974, 0.3505, 0.8595]\n", + " PeriodicSite: Li (16.19, 18.28, 5.928) [0.7972, 0.9001, 0.2919]\n", + " PeriodicSite: Li (16.82, 18.11, 15.22) [0.8283, 0.8917, 0.7494]\n", + " PeriodicSite: Li (7.368, 5.55, 11.74) [0.3628, 0.2732, 0.5779]\n", + " PeriodicSite: Li (5.536, 6.759, 18.58) [0.2725, 0.3327, 0.9146]\n", + " PeriodicSite: Li (9.85, 17.43, 7.125) [0.4849, 0.8583, 0.3508]\n", + " PeriodicSite: Li (12.74, 19.91, 1.055) [0.6272, 0.9801, 0.05195]\n", + " PeriodicSite: Li (16.22, 7.751, 5.246) [0.7987, 0.3816, 0.2583]\n", + " PeriodicSite: Li (15.99, 7.131, 19.54) [0.7874, 0.3511, 0.962]\n", + " PeriodicSite: Li (18.1, 17.48, 10.0) [0.8912, 0.8606, 0.4924]\n", + " PeriodicSite: Li (18.36, 0.3721, 1.867) [0.9041, 0.01831, 0.09194]\n", + " PeriodicSite: Li (4.966, 11.5, 3.607) [0.2445, 0.5661, 0.1776]\n", + " PeriodicSite: Li (10.12, 7.14, 17.23) [0.4981, 0.3515, 0.8482]\n", + " PeriodicSite: Li (7.92, 15.52, 6.295) [0.3899, 0.7639, 0.3099]\n", + " PeriodicSite: Li (4.949, 19.31, 17.26) [0.2436, 0.9506, 0.8498]\n", + " PeriodicSite: Li (18.84, 7.575, 5.181) [0.9274, 0.3729, 0.2551]\n", + " PeriodicSite: Li (17.96, 10.59, 1.253) [0.8844, 0.5213, 0.06167]\n", + " PeriodicSite: Li (2.693, 15.31, 1.562) [0.1326, 0.7538, 0.0769]\n", + " PeriodicSite: Li (14.72, 2.293, 14.62) [0.7247, 0.1129, 0.7195]\n", + " PeriodicSite: Cl (7.224, 12.97, 12.79) [0.3556, 0.6388, 0.6295]\n", + " PeriodicSite: Cl (2.48, 11.9, 17.54) [0.1221, 0.5859, 0.8635]\n", + " PeriodicSite: Cl (12.41, 18.08, 12.67) [0.611, 0.8902, 0.6239]\n", + " PeriodicSite: Cl (17.84, 7.998, 17.7) [0.8785, 0.3938, 0.8713]\n", + " PeriodicSite: Cl (7.408, 2.39, 3.041) [0.3647, 0.1177, 0.1497]\n", + " PeriodicSite: Cl (7.481, 7.331, 7.501) [0.3683, 0.3609, 0.3693]\n", + " PeriodicSite: Cl (12.97, 12.49, 7.781) [0.6386, 0.6147, 0.3831]\n", + " PeriodicSite: Cl (2.59, 7.64, 2.635) [0.1275, 0.3761, 0.1297]\n", + " PeriodicSite: Cl (2.873, 7.471, 12.7) [0.1414, 0.3678, 0.6255]\n", + " PeriodicSite: Cl (12.74, 12.78, 17.85) [0.6274, 0.6292, 0.8786]\n", + " PeriodicSite: Cl (17.42, 18.12, 17.56) [0.8574, 0.8923, 0.8647]\n", + " PeriodicSite: Cl (2.284, 2.523, 7.735) [0.1124, 0.1242, 0.3808]\n", + " PeriodicSite: Cl (12.78, 2.273, 17.8) [0.6294, 0.1119, 0.8762]\n", + " PeriodicSite: Cl (12.73, 7.549, 2.487) [0.6266, 0.3716, 0.1224]\n", + " PeriodicSite: Cl (18.03, 2.587, 12.54) [0.8875, 0.1273, 0.6173]\n", + " PeriodicSite: Cl (7.388, 18.02, 17.85) [0.3637, 0.8871, 0.8789]\n", + " PeriodicSite: Cl (20.28, 0.1497, 0.1143) [0.9984, 0.007363, 0.005635]\n", + " PeriodicSite: Cl (0.05614, 0.1736, 9.984) [0.002766, 0.008549, 0.4915]\n", + " PeriodicSite: Cl (0.1459, 10.3, 0.3106) [0.007178, 0.5073, 0.01529]\n", + " PeriodicSite: Cl (20.27, 10.14, 9.973) [0.998, 0.4993, 0.491]\n", + " PeriodicSite: Cl (10.26, 20.19, 0.404) [0.5049, 0.9939, 0.01989]\n", + " PeriodicSite: Cl (9.854, 0.06583, 10.21) [0.4851, 0.003237, 0.5025]\n", + " PeriodicSite: Cl (9.8, 10.34, 0.4183) [0.4825, 0.5088, 0.0206]\n", + " PeriodicSite: Cl (10.27, 10.26, 10.32) [0.5058, 0.5052, 0.5083]\n", + " PeriodicSite: Cl (0.1878, 4.715, 5.064) [0.009246, 0.2321, 0.2493]\n", + " PeriodicSite: Cl (20.31, 4.589, 15.13) [0.9998, 0.2259, 0.7447]\n", + " PeriodicSite: Cl (0.4718, 15.74, 4.95) [0.02322, 0.7749, 0.2437]\n", + " PeriodicSite: Cl (20.04, 15.31, 15.16) [0.9867, 0.7536, 0.7462]\n", + " PeriodicSite: Cl (10.1, 5.169, 4.891) [0.4974, 0.2545, 0.2408]\n", + " PeriodicSite: Cl (10.09, 5.445, 15.34) [0.4966, 0.2681, 0.7554]\n", + " PeriodicSite: Cl (10.32, 15.28, 5.056) [0.5082, 0.7521, 0.2489]\n", + " PeriodicSite: Cl (9.927, 15.4, 15.44) [0.4887, 0.7579, 0.76]\n", + " PeriodicSite: S (4.956, 0.04353, 4.831) [0.244, 0.002141, 0.2379]\n", + " PeriodicSite: S (4.921, 19.97, 15.0) [0.2423, 0.9832, 0.7386]\n", + " PeriodicSite: S (5.385, 9.979, 5.436) [0.2651, 0.4913, 0.2676]\n", + " PeriodicSite: S (5.249, 10.34, 15.39) [0.2584, 0.509, 0.7579]\n", + " PeriodicSite: S (14.96, 0.08475, 4.907) [0.7366, 0.004166, 0.2416]\n", + " PeriodicSite: S (15.09, 0.1749, 14.86) [0.7428, 0.008603, 0.7315]\n", + " PeriodicSite: S (15.34, 10.09, 5.288) [0.755, 0.4969, 0.2603]\n", + " PeriodicSite: S (15.37, 10.59, 15.4) [0.7569, 0.5215, 0.7583]\n", + " PeriodicSite: S (5.151, 4.81, 20.04) [0.2536, 0.2368, 0.9868]\n", + " PeriodicSite: S (5.033, 4.998, 10.45) [0.2478, 0.2461, 0.5144]\n", + " PeriodicSite: S (4.676, 14.91, 0.042) [0.2302, 0.7342, 0.00207]\n", + " PeriodicSite: S (5.037, 15.42, 10.13) [0.248, 0.7593, 0.4988]\n", + " PeriodicSite: S (15.29, 4.848, 0.01005) [0.7526, 0.2387, 0.0004995]\n", + " PeriodicSite: S (15.42, 5.341, 10.02) [0.7591, 0.263, 0.4934]\n", + " PeriodicSite: S (15.06, 15.55, 20.29) [0.7416, 0.7654, 0.999]\n", + " PeriodicSite: S (15.57, 15.32, 10.03) [0.7663, 0.7541, 0.4936]\n", + " PeriodicSite: S (8.898, 4.085, 8.97) [0.4381, 0.2011, 0.4416]\n", + " PeriodicSite: S (8.731, 3.53, 19.53) [0.4299, 0.1738, 0.9614]\n", + " PeriodicSite: S (8.914, 14.24, 8.928) [0.4389, 0.7008, 0.4395]\n", + " PeriodicSite: S (8.739, 14.33, 19.05) [0.4302, 0.7056, 0.938]\n", + " PeriodicSite: S (19.22, 3.882, 8.761) [0.9463, 0.1911, 0.4313]\n", + " PeriodicSite: S (19.5, 4.075, 18.88) [0.96, 0.2006, 0.9293]\n", + " PeriodicSite: S (19.13, 13.84, 9.254) [0.942, 0.6812, 0.4556]\n", + " PeriodicSite: S (18.46, 14.71, 18.98) [0.9086, 0.7244, 0.9346]\n", + " PeriodicSite: S (3.525, 1.023, 1.361) [0.1735, 0.05034, 0.06699]\n", + " PeriodicSite: S (3.821, 1.207, 11.11) [0.1881, 0.0594, 0.5468]\n", + " PeriodicSite: S (4.08, 11.27, 1.186) [0.2008, 0.5548, 0.0584]\n", + " PeriodicSite: S (4.295, 11.23, 11.7) [0.2115, 0.5527, 0.576]\n", + " PeriodicSite: S (14.59, 1.16, 1.322) [0.7182, 0.05709, 0.06508]\n", + " PeriodicSite: S (14.74, 1.3, 11.48) [0.7256, 0.064, 0.5654]\n", + " PeriodicSite: S (13.92, 10.87, 1.176) [0.6854, 0.535, 0.05788]\n", + " PeriodicSite: S (14.03, 11.25, 11.47) [0.6906, 0.5538, 0.5648]\n", + " PeriodicSite: S (6.121, 1.324, 8.894) [0.3013, 0.06516, 0.4378]\n", + " PeriodicSite: S (6.12, 1.191, 19.36) [0.3013, 0.05863, 0.9531]\n", + " PeriodicSite: S (6.601, 11.27, 9.134) [0.325, 0.5549, 0.4497]\n", + " PeriodicSite: S (6.329, 11.02, 19.19) [0.3116, 0.5427, 0.9447]\n", + " PeriodicSite: S (16.78, 1.238, 8.546) [0.8259, 0.06096, 0.4207]\n", + " PeriodicSite: S (16.9, 1.184, 18.98) [0.8318, 0.05828, 0.9344]\n", + " PeriodicSite: S (16.08, 11.3, 8.823) [0.7915, 0.5562, 0.4344]\n", + " PeriodicSite: S (16.56, 11.41, 19.29) [0.8153, 0.5618, 0.9499]\n", + " PeriodicSite: S (1.267, 4.397, 1.282) [0.06238, 0.2165, 0.06309]\n", + " PeriodicSite: S (1.178, 3.659, 11.13) [0.05799, 0.1801, 0.5482]\n", + " PeriodicSite: S (0.8969, 14.03, 0.3913) [0.04415, 0.6909, 0.01926]\n", + " PeriodicSite: S (1.369, 13.82, 11.21) [0.06738, 0.6806, 0.5519]\n", + " PeriodicSite: S (11.51, 3.833, 1.288) [0.5664, 0.1887, 0.0634]\n", + " PeriodicSite: S (11.37, 4.559, 11.45) [0.5596, 0.2244, 0.5637]\n", + " PeriodicSite: S (11.12, 13.78, 0.972) [0.5472, 0.6784, 0.04786]\n", + " PeriodicSite: S (11.14, 14.06, 11.25) [0.5483, 0.692, 0.554]\n", + " PeriodicSite: S (2.906, 2.385, 17.79) [0.1431, 0.1174, 0.8759]\n", + " PeriodicSite: S (2.562, 12.46, 7.445) [0.1261, 0.6135, 0.3665]\n", + " PeriodicSite: S (12.8, 2.61, 7.736) [0.6303, 0.1285, 0.3809]\n", + " PeriodicSite: S (9.124, 8.708, 3.964) [0.4492, 0.4287, 0.1952]\n", + " PeriodicSite: S (9.019, 9.144, 14.62) [0.444, 0.4502, 0.7199]\n", + " PeriodicSite: S (8.912, 19.24, 3.849) [0.4387, 0.9472, 0.1895]\n", + " PeriodicSite: S (8.775, 19.45, 14.31) [0.432, 0.9575, 0.7047]\n", + " PeriodicSite: S (18.42, 9.312, 3.746) [0.9066, 0.4584, 0.1844]\n", + " PeriodicSite: S (19.37, 8.801, 13.96) [0.9538, 0.4333, 0.6875]\n", + " PeriodicSite: S (19.08, 19.06, 3.612) [0.9392, 0.9384, 0.1778]\n", + " PeriodicSite: S (18.87, 19.31, 14.17) [0.929, 0.9505, 0.6974]\n", + " PeriodicSite: S (3.499, 6.332, 6.43) [0.1722, 0.3117, 0.3166]\n", + " PeriodicSite: S (4.025, 6.08, 16.5) [0.1982, 0.2993, 0.8121]\n", + " PeriodicSite: S (3.556, 15.9, 6.374) [0.1751, 0.7828, 0.3138]\n", + " PeriodicSite: S (3.41, 16.76, 16.47) [0.1679, 0.8253, 0.8109]\n", + " PeriodicSite: S (14.3, 6.35, 5.876) [0.7041, 0.3126, 0.2893]\n", + " PeriodicSite: S (13.9, 6.568, 16.68) [0.6841, 0.3233, 0.8211]\n", + " PeriodicSite: S (14.2, 16.87, 6.456) [0.6989, 0.8307, 0.3178]\n", + " PeriodicSite: S (13.79, 16.24, 16.06) [0.6789, 0.7994, 0.7906]\n", + " PeriodicSite: S (6.034, 6.308, 4.174) [0.2971, 0.3106, 0.2055]\n", + " PeriodicSite: S (6.329, 6.271, 13.89) [0.3116, 0.3087, 0.6841]\n", + " PeriodicSite: S (6.424, 16.01, 4.178) [0.3163, 0.788, 0.2057]\n", + " PeriodicSite: S (5.922, 16.21, 14.4) [0.2915, 0.7981, 0.7091]\n", + " PeriodicSite: S (16.88, 5.647, 3.828) [0.831, 0.278, 0.1885]\n", + " PeriodicSite: S (16.06, 6.409, 14.34) [0.7904, 0.3155, 0.7059]\n", + " PeriodicSite: S (16.48, 16.88, 3.898) [0.8112, 0.831, 0.1919]\n", + " PeriodicSite: S (15.97, 15.97, 13.41) [0.7863, 0.786, 0.6602]\n", + " PeriodicSite: S (0.6462, 8.941, 5.955) [0.03181, 0.4402, 0.2932]\n", + " PeriodicSite: S (1.678, 8.594, 16.01) [0.08263, 0.4231, 0.7882]\n", + " PeriodicSite: S (1.115, 19.09, 6.421) [0.05487, 0.9397, 0.3161]\n", + " PeriodicSite: S (0.9323, 18.91, 16.65) [0.04589, 0.9311, 0.8198]\n", + " PeriodicSite: S (11.69, 8.623, 6.1) [0.5754, 0.4245, 0.3003]\n", + " PeriodicSite: S (11.58, 9.604, 16.65) [0.5699, 0.4728, 0.8198]\n", + " PeriodicSite: S (11.22, 19.38, 6.666) [0.5522, 0.9542, 0.3282]\n", + " PeriodicSite: S (11.51, 19.31, 16.13) [0.5666, 0.9506, 0.7939]\n", + " PeriodicSite: S (2.746, 17.36, 2.362) [0.1352, 0.8547, 0.1163]\n", + " PeriodicSite: S (2.271, 17.77, 12.65) [0.1118, 0.8746, 0.623]\n", + " PeriodicSite: S (12.52, 8.055, 12.74) [0.6166, 0.3966, 0.6271]\n", + " PeriodicSite: S (12.88, 17.96, 2.62) [0.6339, 0.8841, 0.129]\n", + " PeriodicSite: S (3.479, 4.03, 3.97) [0.1713, 0.1984, 0.1955]\n", + " PeriodicSite: S (4.079, 3.869, 14.1) [0.2008, 0.1905, 0.6942]\n", + " PeriodicSite: S (3.752, 13.84, 3.971) [0.1847, 0.6813, 0.1955]\n", + " PeriodicSite: S (3.161, 14.26, 14.39) [0.1556, 0.7019, 0.7083]\n", + " PeriodicSite: S (14.16, 3.693, 3.591) [0.6972, 0.1818, 0.1768]\n", + " PeriodicSite: S (13.27, 4.287, 14.38) [0.6533, 0.2111, 0.708]\n", + " PeriodicSite: S (13.87, 14.51, 3.823) [0.6826, 0.7141, 0.1882]\n", + " PeriodicSite: S (13.8, 13.84, 13.82) [0.6793, 0.6813, 0.6803]\n", + " PeriodicSite: S (8.619, 1.184, 6.602) [0.4243, 0.0583, 0.325]\n", + " PeriodicSite: S (9.04, 1.377, 16.75) [0.4451, 0.06779, 0.8248]\n", + " PeriodicSite: S (9.273, 11.1, 6.387) [0.4565, 0.5463, 0.3144]\n", + " PeriodicSite: S (8.942, 11.73, 16.76) [0.4402, 0.5776, 0.8251]\n", + " PeriodicSite: S (19.34, 1.175, 6.155) [0.9523, 0.05786, 0.303]\n", + " PeriodicSite: S (19.2, 1.088, 16.78) [0.9451, 0.05358, 0.8259]\n", + " PeriodicSite: S (18.67, 11.5, 6.751) [0.919, 0.566, 0.3324]\n", + " PeriodicSite: S (19.43, 11.2, 16.44) [0.9567, 0.5513, 0.8094]\n", + " PeriodicSite: S (1.333, 0.8029, 3.915) [0.06563, 0.03953, 0.1927]\n", + " PeriodicSite: S (1.269, 1.054, 14.15) [0.06247, 0.05187, 0.6967]\n", + " PeriodicSite: S (0.3702, 11.81, 4.441) [0.01822, 0.5814, 0.2187]\n", + " PeriodicSite: S (1.379, 11.31, 14.26) [0.0679, 0.557, 0.7018]\n", + " PeriodicSite: S (11.02, 1.437, 4.102) [0.5427, 0.07073, 0.2019]\n", + " PeriodicSite: S (11.22, 1.731, 14.28) [0.5525, 0.08523, 0.7033]\n", + " PeriodicSite: S (11.68, 11.2, 3.984) [0.575, 0.5513, 0.1962]\n", + " PeriodicSite: S (10.93, 11.8, 14.07) [0.5383, 0.5811, 0.6929]\n", + " PeriodicSite: S (6.061, 3.797, 6.209) [0.2984, 0.1869, 0.3057]\n", + " PeriodicSite: S (6.469, 3.809, 16.23) [0.3185, 0.1875, 0.799]\n", + " PeriodicSite: S (6.208, 13.7, 6.64) [0.3056, 0.6746, 0.3269]\n", + " PeriodicSite: S (5.562, 14.04, 16.98) [0.2738, 0.6914, 0.8359]\n", + " PeriodicSite: S (16.24, 3.665, 6.268) [0.7995, 0.1804, 0.3086]\n", + " PeriodicSite: S (15.79, 3.728, 16.46) [0.7771, 0.1835, 0.8104]\n", + " PeriodicSite: S (16.27, 14.42, 6.045) [0.8012, 0.7098, 0.2976]\n", + " PeriodicSite: S (16.36, 14.04, 16.05) [0.8053, 0.6911, 0.7904]\n", + " PeriodicSite: S (7.813, 2.615, 12.63) [0.3846, 0.1288, 0.6218]\n", + " PeriodicSite: S (7.607, 12.56, 2.924) [0.3745, 0.6184, 0.144]\n", + " PeriodicSite: S (18.14, 2.519, 2.695) [0.8932, 0.124, 0.1327]\n", + " PeriodicSite: S (17.2, 12.52, 2.363) [0.8467, 0.6163, 0.1164]\n", + " PeriodicSite: S (17.75, 12.55, 12.48) [0.8738, 0.6178, 0.6142]\n", + " PeriodicSite: S (4.316, 9.05, 9.162) [0.2125, 0.4455, 0.451]\n", + " PeriodicSite: S (3.748, 8.704, 19.38) [0.1845, 0.4285, 0.9543]\n", + " PeriodicSite: S (3.76, 18.99, 8.968) [0.1851, 0.9347, 0.4415]\n", + " PeriodicSite: S (3.629, 19.17, 19.31) [0.1786, 0.9436, 0.9506]\n", + " PeriodicSite: S (13.89, 8.753, 9.18) [0.6838, 0.4309, 0.452]\n", + " PeriodicSite: S (14.33, 8.912, 18.75) [0.7057, 0.4387, 0.9231]\n", + " PeriodicSite: S (14.12, 19.5, 9.145) [0.6953, 0.9602, 0.4502]\n", + " PeriodicSite: S (14.12, 19.29, 19.12) [0.6953, 0.9495, 0.9411]\n", + " PeriodicSite: S (9.272, 6.335, 1.233) [0.4565, 0.3119, 0.06069]\n", + " PeriodicSite: S (9.136, 6.953, 10.99) [0.4498, 0.3423, 0.5412]\n", + " PeriodicSite: S (8.825, 16.44, 1.479) [0.4345, 0.8093, 0.07284]\n", + " PeriodicSite: S (9.054, 16.64, 11.22) [0.4458, 0.8194, 0.5525]\n", + " PeriodicSite: S (18.94, 6.474, 0.7085) [0.9323, 0.3187, 0.03489]\n", + " PeriodicSite: S (19.18, 5.805, 11.6) [0.9445, 0.2858, 0.5709]\n", + " PeriodicSite: S (19.05, 16.42, 1.515) [0.9377, 0.8083, 0.07457]\n", + " PeriodicSite: S (19.57, 16.3, 11.52) [0.9633, 0.8025, 0.5671]\n", + " PeriodicSite: S (1.146, 6.472, 9.121) [0.05641, 0.3186, 0.4491]\n", + " PeriodicSite: S (1.527, 6.609, 19.31) [0.0752, 0.3254, 0.9509]\n", + " PeriodicSite: S (1.156, 16.24, 8.713) [0.05691, 0.7994, 0.4289]\n", + " PeriodicSite: S (0.6588, 16.81, 19.13) [0.03243, 0.8278, 0.942]\n", + " PeriodicSite: S (11.34, 6.199, 8.543) [0.5585, 0.3052, 0.4206]\n", + " PeriodicSite: S (11.28, 5.802, 18.84) [0.5554, 0.2857, 0.9275]\n", + " PeriodicSite: S (11.35, 16.58, 8.81) [0.5588, 0.8162, 0.4337]\n", + " PeriodicSite: S (11.11, 16.4, 19.26) [0.5472, 0.8076, 0.9481]\n", + " PeriodicSite: S (6.241, 8.533, 1.137) [0.3073, 0.4201, 0.05598]\n", + " PeriodicSite: S (6.766, 9.018, 11.33) [0.3331, 0.444, 0.5578]\n", + " PeriodicSite: S (5.956, 19.06, 1.371) [0.2932, 0.9385, 0.0675]\n", + " PeriodicSite: S (6.173, 18.96, 10.95) [0.3039, 0.9332, 0.5392]\n", + " PeriodicSite: S (16.48, 8.633, 0.9795) [0.8115, 0.425, 0.04823]\n", + " PeriodicSite: S (16.53, 8.923, 11.13) [0.814, 0.4393, 0.548]\n", + " PeriodicSite: S (16.72, 19.08, 1.078) [0.8233, 0.9392, 0.05309]\n", + " PeriodicSite: S (16.85, 19.26, 10.98) [0.8294, 0.9483, 0.5407]\n", + " PeriodicSite: S (7.628, 7.287, 17.65) [0.3755, 0.3587, 0.8691]\n", + " PeriodicSite: S (7.397, 17.53, 7.397) [0.3642, 0.8631, 0.3642]\n", + " PeriodicSite: S (17.65, 7.589, 7.383) [0.8691, 0.3736, 0.3635]\n", + " PeriodicSite: S (17.66, 17.61, 7.624) [0.8695, 0.867, 0.3754]\n", + " PeriodicSite: P (4.829, 0.01276, 0.1967) [0.2377, 0.0006262, 0.009686]\n", + " PeriodicSite: P (5.072, 0.0617, 9.92) [0.2497, 0.003036, 0.4884]\n", + " PeriodicSite: P (5.04, 9.839, 0.1678) [0.2481, 0.4844, 0.008264]\n", + " PeriodicSite: P (5.457, 10.23, 10.4) [0.2687, 0.5034, 0.5121]\n", + " PeriodicSite: P (15.58, 0.004788, 20.26) [0.7671, 0.0002302, 0.9973]\n", + " PeriodicSite: P (15.63, 0.2411, 10.02) [0.7693, 0.01186, 0.4932]\n", + " PeriodicSite: P (15.33, 10.07, 20.18) [0.7547, 0.4959, 0.9937]\n", + " PeriodicSite: P (15.04, 10.07, 10.19) [0.7402, 0.4958, 0.5018]\n", + " PeriodicSite: P (4.707, 5.136, 5.144) [0.2317, 0.2528, 0.2532]\n", + " PeriodicSite: P (5.248, 5.084, 15.26) [0.2584, 0.2503, 0.7514]\n", + " PeriodicSite: P (5.013, 14.85, 5.371) [0.2468, 0.731, 0.2644]\n", + " PeriodicSite: P (4.644, 15.24, 15.6) [0.2286, 0.7502, 0.7679]\n", + " PeriodicSite: P (15.38, 4.89, 4.793) [0.7569, 0.2407, 0.236]\n", + " PeriodicSite: P (14.85, 5.228, 15.38) [0.7309, 0.2574, 0.7574]\n", + " PeriodicSite: P (15.11, 15.77, 4.972) [0.7439, 0.7764, 0.2448]\n", + " PeriodicSite: P (14.92, 15.01, 14.94) [0.7347, 0.739, 0.7354]\n", + " PeriodicSite: P (20.29, 20.08, 4.978) [0.9991, 0.9884, 0.2451]\n", + " PeriodicSite: P (20.28, 20.28, 15.46) [0.9986, 0.9982, 0.7612]\n", + " PeriodicSite: P (19.67, 10.4, 5.223) [0.9685, 0.5118, 0.2571]\n", + " PeriodicSite: P (0.2594, 9.892, 15.22) [0.01277, 0.487, 0.7493]\n", + " PeriodicSite: P (9.912, 0.1652, 5.196) [0.488, 0.008126, 0.2558]\n", + " PeriodicSite: P (10.06, 0.2627, 15.38) [0.4955, 0.01293, 0.7571]\n", + " PeriodicSite: P (10.47, 9.977, 5.081) [0.5156, 0.4912, 0.2502]\n", + " PeriodicSite: P (10.18, 10.55, 15.49) [0.5014, 0.5191, 0.7628]\n", + " PeriodicSite: P (0.07588, 5.398, 20.13) [0.003739, 0.2657, 0.9908]\n", + " PeriodicSite: P (0.1141, 5.108, 10.15) [0.005619, 0.2515, 0.4995]\n", + " PeriodicSite: P (19.93, 15.44, 20.2) [0.9814, 0.7601, 0.9945]\n", + " PeriodicSite: P (0.166, 15.09, 10.07) [0.008169, 0.7427, 0.496]\n", + " PeriodicSite: P (10.13, 4.879, 0.05806) [0.4985, 0.2402, 0.002861]\n", + " PeriodicSite: P (10.08, 5.185, 9.999) [0.4961, 0.2553, 0.4923]\n", + " PeriodicSite: P (9.968, 15.23, 0.1382) [0.4908, 0.75, 0.00681]\n", + " PeriodicSite: P (10.14, 15.39, 10.02) [0.4991, 0.7575, 0.4934],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.887, 6.217, 4.483) [0.09288, 0.3061, 0.2207]\n", + " PeriodicSite: Li (0.04124, 3.85, 12.97) [0.002032, 0.1895, 0.6387]\n", + " PeriodicSite: Li (0.3574, 11.72, 7.895) [0.01759, 0.5769, 0.3887]\n", + " PeriodicSite: Li (0.6181, 13.16, 15.8) [0.03043, 0.6477, 0.778]\n", + " PeriodicSite: Li (13.64, 0.3758, 7.302) [0.6717, 0.0185, 0.3595]\n", + " PeriodicSite: Li (11.44, 2.973, 15.94) [0.5634, 0.1464, 0.7848]\n", + " PeriodicSite: Li (13.95, 12.5, 5.339) [0.6868, 0.6151, 0.2628]\n", + " PeriodicSite: Li (15.84, 7.923, 15.6) [0.78, 0.39, 0.7679]\n", + " PeriodicSite: Li (3.26, 4.427, 8.885) [0.1605, 0.2179, 0.4374]\n", + " PeriodicSite: Li (2.891, 3.159, 20.11) [0.1423, 0.1555, 0.9903]\n", + " PeriodicSite: Li (4.382, 8.018, 3.853) [0.2157, 0.3947, 0.1897]\n", + " PeriodicSite: Li (7.095, 9.802, 17.21) [0.3493, 0.4825, 0.8473]\n", + " PeriodicSite: Li (12.32, 4.422, 6.245) [0.6067, 0.2177, 0.3074]\n", + " PeriodicSite: Li (13.76, 0.1351, 16.88) [0.6774, 0.006646, 0.831]\n", + " PeriodicSite: Li (10.89, 9.725, 12.93) [0.5363, 0.4788, 0.6366]\n", + " PeriodicSite: Li (8.019, 19.24, 19.95) [0.3948, 0.9473, 0.9822]\n", + " PeriodicSite: Li (6.094, 1.577, 6.003) [0.3, 0.07762, 0.2955]\n", + " PeriodicSite: Li (3.469, 20.26, 13.31) [0.1708, 0.9972, 0.6552]\n", + " PeriodicSite: Li (2.397, 10.54, 5.929) [0.118, 0.5187, 0.2919]\n", + " PeriodicSite: Li (6.421, 10.5, 13.22) [0.3161, 0.5168, 0.6509]\n", + " PeriodicSite: Li (12.71, 1.095, 9.826) [0.6259, 0.05392, 0.4838]\n", + " PeriodicSite: Li (10.69, 1.214, 18.83) [0.5264, 0.05975, 0.9269]\n", + " PeriodicSite: Li (13.76, 14.6, 8.383) [0.6776, 0.7189, 0.4127]\n", + " PeriodicSite: Li (11.82, 9.673, 1.64) [0.582, 0.4762, 0.08076]\n", + " PeriodicSite: Li (0.2311, 3.325, 6.979) [0.01138, 0.1637, 0.3436]\n", + " PeriodicSite: Li (0.3743, 3.476, 16.72) [0.01843, 0.1711, 0.8232]\n", + " PeriodicSite: Li (1.641, 13.83, 5.912) [0.08079, 0.681, 0.2911]\n", + " PeriodicSite: Li (2.713, 15.83, 18.79) [0.1336, 0.7792, 0.925]\n", + " PeriodicSite: Li (13.54, 1.913, 4.842) [0.6664, 0.09418, 0.2384]\n", + " PeriodicSite: Li (16.62, 1.351, 16.49) [0.8182, 0.06652, 0.8117]\n", + " PeriodicSite: Li (12.05, 11.88, 10.13) [0.5931, 0.585, 0.4989]\n", + " PeriodicSite: Li (17.19, 16.65, 20.07) [0.8464, 0.8198, 0.9879]\n", + " PeriodicSite: Li (5.033, 1.859, 3.112) [0.2478, 0.09152, 0.1532]\n", + " PeriodicSite: Li (0.2976, 17.47, 3.038) [0.01465, 0.8603, 0.1496]\n", + " PeriodicSite: Li (3.219, 14.48, 8.628) [0.1585, 0.7131, 0.4248]\n", + " PeriodicSite: Li (0.1407, 17.47, 14.88) [0.006922, 0.8601, 0.7325]\n", + " PeriodicSite: Li (15.23, 2.901, 8.083) [0.75, 0.1428, 0.3979]\n", + " PeriodicSite: Li (13.96, 4.825, 17.94) [0.687, 0.2376, 0.883]\n", + " PeriodicSite: Li (17.38, 15.36, 8.149) [0.8557, 0.7563, 0.4012]\n", + " PeriodicSite: Li (10.85, 11.87, 18.64) [0.5342, 0.5846, 0.9177]\n", + " PeriodicSite: Li (3.266, 1.952, 5.389) [0.1608, 0.09611, 0.2653]\n", + " PeriodicSite: Li (1.067, 0.65, 18.41) [0.05255, 0.032, 0.9063]\n", + " PeriodicSite: Li (4.624, 11.31, 6.971) [0.2277, 0.5567, 0.3432]\n", + " PeriodicSite: Li (17.72, 14.99, 4.104) [0.8725, 0.7381, 0.202]\n", + " PeriodicSite: Li (10.49, 1.711, 8.051) [0.5164, 0.08425, 0.3964]\n", + " PeriodicSite: Li (17.03, 0.1614, 13.27) [0.8384, 0.00794, 0.6532]\n", + " PeriodicSite: Li (13.54, 10.32, 7.095) [0.6667, 0.5082, 0.3493]\n", + " PeriodicSite: Li (14.25, 10.53, 17.66) [0.7014, 0.5183, 0.8692]\n", + " PeriodicSite: Li (3.587, 12.29, 15.18) [0.1766, 0.6051, 0.7471]\n", + " PeriodicSite: Li (2.402, 10.62, 9.424) [0.1183, 0.5229, 0.464]\n", + " PeriodicSite: Li (2.602, 16.35, 4.39) [0.1281, 0.8047, 0.2161]\n", + " PeriodicSite: Li (1.985, 1.233, 9.212) [0.09772, 0.06069, 0.4535]\n", + " PeriodicSite: Li (13.34, 6.187, 0.4983) [0.6568, 0.3046, 0.02453]\n", + " PeriodicSite: Li (11.89, 7.447, 14.96) [0.5853, 0.3666, 0.7363]\n", + " PeriodicSite: Li (11.0, 13.74, 6.755) [0.5415, 0.6763, 0.3326]\n", + " PeriodicSite: Li (13.04, 19.36, 14.12) [0.6421, 0.9532, 0.6951]\n", + " PeriodicSite: Li (2.842, 5.936, 0.6953) [0.1399, 0.2922, 0.03423]\n", + " PeriodicSite: Li (3.632, 5.23, 12.18) [0.1788, 0.2575, 0.5995]\n", + " PeriodicSite: Li (6.822, 15.65, 19.91) [0.3359, 0.7703, 0.9801]\n", + " PeriodicSite: Li (3.606, 17.94, 14.57) [0.1775, 0.8833, 0.7175]\n", + " PeriodicSite: Li (13.63, 3.437, 20.23) [0.6712, 0.1692, 0.996]\n", + " PeriodicSite: Li (10.59, 6.094, 12.68) [0.5211, 0.3, 0.6244]\n", + " PeriodicSite: Li (12.27, 16.16, 4.395) [0.604, 0.7958, 0.2164]\n", + " PeriodicSite: Li (10.63, 17.63, 14.47) [0.5231, 0.868, 0.7124]\n", + " PeriodicSite: Li (3.448, 10.12, 17.39) [0.1697, 0.4984, 0.8563]\n", + " PeriodicSite: Li (4.447, 7.363, 10.72) [0.2189, 0.3625, 0.5276]\n", + " PeriodicSite: Li (4.664, 17.43, 0.6854) [0.2296, 0.8581, 0.03375]\n", + " PeriodicSite: Li (2.163, 17.99, 10.32) [0.1065, 0.8857, 0.5079]\n", + " PeriodicSite: Li (10.29, 6.58, 3.069) [0.5068, 0.3239, 0.1511]\n", + " PeriodicSite: Li (14.34, 6.087, 12.25) [0.7058, 0.2997, 0.603]\n", + " PeriodicSite: Li (10.35, 18.09, 2.081) [0.5093, 0.8905, 0.1025]\n", + " PeriodicSite: Li (13.64, 15.1, 11.94) [0.6714, 0.7433, 0.5879]\n", + " PeriodicSite: Li (1.403, 9.249, 1.23) [0.06906, 0.4553, 0.06056]\n", + " PeriodicSite: Li (17.39, 4.909, 7.891) [0.8563, 0.2417, 0.3885]\n", + " PeriodicSite: Li (3.878, 19.49, 2.793) [0.1909, 0.9593, 0.1375]\n", + " PeriodicSite: Li (0.6555, 19.99, 12.53) [0.03227, 0.984, 0.617]\n", + " PeriodicSite: Li (10.07, 7.061, 6.823) [0.4956, 0.3476, 0.3359]\n", + " PeriodicSite: Li (13.04, 11.67, 15.28) [0.6419, 0.5743, 0.7524]\n", + " PeriodicSite: Li (14.64, 16.47, 2.196) [0.7207, 0.811, 0.1081]\n", + " PeriodicSite: Li (11.97, 14.72, 16.52) [0.5892, 0.7248, 0.8133]\n", + " PeriodicSite: Li (7.006, 8.032, 4.945) [0.3449, 0.3954, 0.2435]\n", + " PeriodicSite: Li (0.04285, 12.0, 12.05) [0.002107, 0.5909, 0.5934]\n", + " PeriodicSite: Li (19.83, 16.85, 6.362) [0.9763, 0.8297, 0.3132]\n", + " PeriodicSite: Li (6.755, 18.58, 15.49) [0.3326, 0.9149, 0.7626]\n", + " PeriodicSite: Li (15.47, 10.23, 2.938) [0.7617, 0.5038, 0.1446]\n", + " PeriodicSite: Li (11.93, 8.293, 10.45) [0.5872, 0.4083, 0.5144]\n", + " PeriodicSite: Li (12.96, 16.82, 0.1043) [0.6378, 0.8281, 0.005142]\n", + " PeriodicSite: Li (11.25, 18.19, 10.69) [0.554, 0.8953, 0.5264]\n", + " PeriodicSite: Li (4.847, 2.839, 17.96) [0.2386, 0.1398, 0.8841]\n", + " PeriodicSite: Li (3.798, 9.802, 13.45) [0.187, 0.4826, 0.6622]\n", + " PeriodicSite: Li (7.354, 0.143, 3.569) [0.3621, 0.007034, 0.1757]\n", + " PeriodicSite: Li (1.469, 16.0, 12.53) [0.07233, 0.7876, 0.6169]\n", + " PeriodicSite: Li (12.95, 8.817, 4.293) [0.6375, 0.4341, 0.2113]\n", + " PeriodicSite: Li (14.53, 8.929, 13.13) [0.7153, 0.4396, 0.6462]\n", + " PeriodicSite: Li (12.91, 18.73, 4.761) [0.6354, 0.9221, 0.2344]\n", + " PeriodicSite: Li (18.0, 5.264, 15.3) [0.886, 0.2592, 0.7531]\n", + " PeriodicSite: Li (10.0, 2.736, 1.889) [0.4923, 0.1347, 0.093]\n", + " PeriodicSite: Li (9.759, 2.273, 12.07) [0.4804, 0.1119, 0.5942]\n", + " PeriodicSite: Li (7.231, 11.47, 5.077) [0.356, 0.5647, 0.25]\n", + " PeriodicSite: Li (6.67, 12.43, 15.83) [0.3284, 0.612, 0.7791]\n", + " PeriodicSite: Li (18.53, 3.722, 4.16) [0.9123, 0.1832, 0.2048]\n", + " PeriodicSite: Li (13.19, 4.342, 9.213) [0.6491, 0.2138, 0.4536]\n", + " PeriodicSite: Li (19.82, 13.08, 1.999) [0.9758, 0.644, 0.09841]\n", + " PeriodicSite: Li (17.52, 10.55, 13.7) [0.8626, 0.5195, 0.6742]\n", + " PeriodicSite: Li (6.227, 18.2, 5.901) [0.3066, 0.896, 0.2905]\n", + " PeriodicSite: Li (8.432, 3.57, 14.39) [0.4151, 0.1758, 0.7086]\n", + " PeriodicSite: Li (4.343, 13.12, 19.12) [0.2138, 0.6461, 0.9411]\n", + " PeriodicSite: Li (9.844, 14.2, 13.2) [0.4846, 0.6993, 0.6498]\n", + " PeriodicSite: Li (14.88, 19.67, 2.936) [0.7328, 0.9683, 0.1446]\n", + " PeriodicSite: Li (18.72, 1.827, 10.6) [0.9217, 0.08992, 0.522]\n", + " PeriodicSite: Li (17.45, 13.93, 0.626) [0.8592, 0.686, 0.03083]\n", + " PeriodicSite: Li (17.91, 14.5, 10.99) [0.8818, 0.7141, 0.5411]\n", + " PeriodicSite: Li (8.253, 3.953, 4.73) [0.4063, 0.1946, 0.2329]\n", + " PeriodicSite: Li (8.231, 0.2772, 11.83) [0.4052, 0.01364, 0.5826]\n", + " PeriodicSite: Li (9.855, 12.02, 2.322) [0.4852, 0.5919, 0.1143]\n", + " PeriodicSite: Li (4.366, 14.01, 11.66) [0.2149, 0.6898, 0.5741]\n", + " PeriodicSite: Li (0.3531, 2.564, 2.73) [0.01738, 0.1262, 0.1344]\n", + " PeriodicSite: Li (0.6859, 7.877, 11.42) [0.03377, 0.3878, 0.5621]\n", + " PeriodicSite: Li (15.09, 13.21, 2.266) [0.7429, 0.6503, 0.1116]\n", + " PeriodicSite: Li (15.64, 12.63, 14.2) [0.77, 0.6217, 0.699]\n", + " PeriodicSite: Li (3.7, 18.89, 6.237) [0.1821, 0.9299, 0.307]\n", + " PeriodicSite: Li (6.707, 1.339, 14.47) [0.3302, 0.06592, 0.7125]\n", + " PeriodicSite: Li (5.334, 13.33, 1.826) [0.2626, 0.6561, 0.08989]\n", + " PeriodicSite: Li (7.928, 6.505, 15.57) [0.3903, 0.3202, 0.7663]\n", + " PeriodicSite: Li (17.04, 4.988, 1.558) [0.8387, 0.2456, 0.07669]\n", + " PeriodicSite: Li (14.91, 17.9, 11.61) [0.7338, 0.8815, 0.5716]\n", + " PeriodicSite: Li (13.99, 13.23, 19.84) [0.6889, 0.6512, 0.9766]\n", + " PeriodicSite: Li (17.84, 11.12, 10.65) [0.8785, 0.5476, 0.5242]\n", + " PeriodicSite: Li (8.201, 8.118, 20.08) [0.4038, 0.3996, 0.9886]\n", + " PeriodicSite: Li (5.029, 3.151, 12.28) [0.2476, 0.1551, 0.6046]\n", + " PeriodicSite: Li (8.317, 9.747, 2.214) [0.4095, 0.4798, 0.109]\n", + " PeriodicSite: Li (8.855, 12.42, 10.98) [0.436, 0.6115, 0.5405]\n", + " PeriodicSite: Li (16.03, 2.535, 2.353) [0.7891, 0.1248, 0.1158]\n", + " PeriodicSite: Li (17.47, 4.383, 11.01) [0.8599, 0.2158, 0.5421]\n", + " PeriodicSite: Li (0.2112, 11.25, 18.59) [0.0104, 0.554, 0.915]\n", + " PeriodicSite: Li (17.9, 14.54, 14.36) [0.8812, 0.7156, 0.7068]\n", + " PeriodicSite: Li (6.692, 2.668, 0.1895) [0.3294, 0.1314, 0.009333]\n", + " PeriodicSite: Li (7.023, 2.887, 10.35) [0.3458, 0.1421, 0.5093]\n", + " PeriodicSite: Li (8.286, 14.6, 3.057) [0.4079, 0.7186, 0.1505]\n", + " PeriodicSite: Li (5.014, 17.6, 11.66) [0.2468, 0.8664, 0.5742]\n", + " PeriodicSite: Li (19.3, 2.101, 0.1457) [0.9502, 0.1034, 0.007177]\n", + " PeriodicSite: Li (1.578, 6.918, 14.75) [0.07769, 0.3406, 0.7263]\n", + " PeriodicSite: Li (6.421, 13.61, 9.005) [0.3161, 0.6699, 0.4433]\n", + " PeriodicSite: Li (15.69, 13.23, 10.7) [0.7725, 0.6513, 0.5268]\n", + " PeriodicSite: Li (17.32, 11.64, 4.637) [0.8525, 0.573, 0.2283]\n", + " PeriodicSite: Li (5.479, 7.977, 15.46) [0.2697, 0.3927, 0.7611]\n", + " PeriodicSite: Li (6.805, 15.35, 12.23) [0.335, 0.7556, 0.6019]\n", + " PeriodicSite: Li (1.611, 18.4, 0.4806) [0.07929, 0.9061, 0.02366]\n", + " PeriodicSite: Li (16.59, 9.953, 6.904) [0.8169, 0.49, 0.3399]\n", + " PeriodicSite: Li (2.779, 5.354, 18.05) [0.1368, 0.2636, 0.8884]\n", + " PeriodicSite: Li (17.14, 0.8052, 5.506) [0.8436, 0.03963, 0.2711]\n", + " PeriodicSite: Li (18.53, 19.75, 18.62) [0.9122, 0.9724, 0.9167]\n", + " PeriodicSite: Li (5.647, 8.708, 7.417) [0.278, 0.4287, 0.3651]\n", + " PeriodicSite: Li (7.324, 5.124, 18.52) [0.3606, 0.2523, 0.9115]\n", + " PeriodicSite: Li (7.71, 19.77, 8.037) [0.3795, 0.9733, 0.3957]\n", + " PeriodicSite: Li (8.763, 16.02, 17.3) [0.4314, 0.7889, 0.8518]\n", + " PeriodicSite: Li (16.82, 7.271, 9.887) [0.8279, 0.358, 0.4868]\n", + " PeriodicSite: Li (18.76, 8.731, 19.97) [0.9235, 0.4298, 0.9832]\n", + " PeriodicSite: Li (19.08, 19.63, 7.931) [0.9394, 0.9665, 0.3904]\n", + " PeriodicSite: Li (18.48, 15.94, 17.14) [0.91, 0.7848, 0.8436]\n", + " PeriodicSite: Li (6.767, 5.197, 8.539) [0.3332, 0.2559, 0.4204]\n", + " PeriodicSite: Li (2.787, 1.007, 16.06) [0.1372, 0.04958, 0.7907]\n", + " PeriodicSite: Li (7.749, 17.47, 10.01) [0.3815, 0.8602, 0.493]\n", + " PeriodicSite: Li (17.02, 10.19, 17.04) [0.8379, 0.5017, 0.839]\n", + " PeriodicSite: Li (19.58, 7.979, 8.238) [0.964, 0.3928, 0.4056]\n", + " PeriodicSite: Li (16.83, 3.885, 19.03) [0.8285, 0.1912, 0.9369]\n", + " PeriodicSite: Li (15.51, 16.93, 8.249) [0.7638, 0.8335, 0.4061]\n", + " PeriodicSite: Li (15.2, 16.54, 18.15) [0.7482, 0.8144, 0.8933]\n", + " PeriodicSite: Li (8.442, 8.826, 9.566) [0.4156, 0.4345, 0.471]\n", + " PeriodicSite: Li (6.223, 5.97, 1.12) [0.3063, 0.2939, 0.05513]\n", + " PeriodicSite: Li (5.571, 16.77, 8.474) [0.2743, 0.8256, 0.4172]\n", + " PeriodicSite: Li (7.985, 12.24, 20.24) [0.3931, 0.6024, 0.9966]\n", + " PeriodicSite: Li (15.12, 7.006, 8.09) [0.7444, 0.3449, 0.3983]\n", + " PeriodicSite: Li (20.16, 7.052, 17.5) [0.9924, 0.3472, 0.8617]\n", + " PeriodicSite: Li (16.46, 18.63, 6.023) [0.8104, 0.9171, 0.2965]\n", + " PeriodicSite: Li (16.19, 18.12, 15.37) [0.7972, 0.8923, 0.7566]\n", + " PeriodicSite: Li (7.087, 5.465, 11.87) [0.3489, 0.2691, 0.5843]\n", + " PeriodicSite: Li (5.046, 6.995, 18.42) [0.2484, 0.3443, 0.9069]\n", + " PeriodicSite: Li (9.956, 17.59, 6.601) [0.4901, 0.8657, 0.325]\n", + " PeriodicSite: Li (12.55, 19.65, 0.9857) [0.6178, 0.9676, 0.04853]\n", + " PeriodicSite: Li (15.95, 8.037, 5.075) [0.7855, 0.3957, 0.2498]\n", + " PeriodicSite: Li (16.47, 6.998, 19.55) [0.811, 0.3445, 0.9626]\n", + " PeriodicSite: Li (17.4, 17.11, 10.07) [0.8565, 0.8425, 0.4958]\n", + " PeriodicSite: Li (18.86, 0.2745, 2.177) [0.9287, 0.01351, 0.1072]\n", + " PeriodicSite: Li (5.519, 10.83, 3.22) [0.2717, 0.5332, 0.1585]\n", + " PeriodicSite: Li (9.863, 7.926, 17.84) [0.4856, 0.3902, 0.8782]\n", + " PeriodicSite: Li (8.32, 15.32, 6.988) [0.4096, 0.7542, 0.344]\n", + " PeriodicSite: Li (4.677, 19.09, 17.36) [0.2302, 0.94, 0.8548]\n", + " PeriodicSite: Li (18.87, 6.831, 4.803) [0.9289, 0.3363, 0.2365]\n", + " PeriodicSite: Li (18.09, 10.91, 1.859) [0.8904, 0.5371, 0.0915]\n", + " PeriodicSite: Li (2.769, 15.11, 1.85) [0.1363, 0.7437, 0.09107]\n", + " PeriodicSite: Li (14.67, 2.033, 13.87) [0.7221, 0.1001, 0.683]\n", + " PeriodicSite: Cl (7.599, 13.05, 12.75) [0.3741, 0.6426, 0.6279]\n", + " PeriodicSite: Cl (2.524, 12.31, 17.86) [0.1243, 0.6059, 0.8793]\n", + " PeriodicSite: Cl (12.93, 17.54, 12.51) [0.6368, 0.8636, 0.6161]\n", + " PeriodicSite: Cl (18.01, 7.977, 17.88) [0.8866, 0.3927, 0.88]\n", + " PeriodicSite: Cl (7.617, 2.261, 2.869) [0.375, 0.1113, 0.1412]\n", + " PeriodicSite: Cl (7.657, 7.368, 7.608) [0.377, 0.3627, 0.3745]\n", + " PeriodicSite: Cl (12.75, 12.62, 7.524) [0.6279, 0.6215, 0.3704]\n", + " PeriodicSite: Cl (2.349, 7.977, 2.829) [0.1156, 0.3927, 0.1393]\n", + " PeriodicSite: Cl (2.56, 7.363, 12.44) [0.126, 0.3625, 0.6122]\n", + " PeriodicSite: Cl (12.76, 12.75, 17.62) [0.6284, 0.6279, 0.8676]\n", + " PeriodicSite: Cl (17.18, 17.92, 17.46) [0.8457, 0.8822, 0.8595]\n", + " PeriodicSite: Cl (2.922, 2.475, 7.543) [0.1439, 0.1219, 0.3713]\n", + " PeriodicSite: Cl (12.73, 2.399, 18.03) [0.6265, 0.1181, 0.8874]\n", + " PeriodicSite: Cl (12.35, 7.509, 2.202) [0.6082, 0.3697, 0.1084]\n", + " PeriodicSite: Cl (18.13, 2.547, 12.78) [0.8926, 0.1254, 0.6293]\n", + " PeriodicSite: Cl (7.649, 17.98, 18.02) [0.3766, 0.8851, 0.8871]\n", + " PeriodicSite: Cl (0.2362, 0.1449, 0.2489) [0.01163, 0.007131, 0.01225]\n", + " PeriodicSite: Cl (0.1584, 0.07994, 10.25) [0.007803, 0.003936, 0.5047]\n", + " PeriodicSite: Cl (19.86, 10.82, 0.4579) [0.9778, 0.5327, 0.02255]\n", + " PeriodicSite: Cl (0.226, 10.22, 10.2) [0.01113, 0.503, 0.5023]\n", + " PeriodicSite: Cl (10.34, 20.18, 0.5282) [0.5092, 0.9937, 0.02601]\n", + " PeriodicSite: Cl (10.5, 0.5084, 10.41) [0.5171, 0.02503, 0.5127]\n", + " PeriodicSite: Cl (9.777, 10.32, 0.3409) [0.4813, 0.5082, 0.01678]\n", + " PeriodicSite: Cl (10.3, 10.21, 10.64) [0.5073, 0.5026, 0.5236]\n", + " PeriodicSite: Cl (0.03518, 4.751, 5.057) [0.001731, 0.2339, 0.249]\n", + " PeriodicSite: Cl (0.09652, 4.969, 14.98) [0.004754, 0.2446, 0.7374]\n", + " PeriodicSite: Cl (0.226, 15.41, 4.808) [0.01112, 0.7589, 0.2367]\n", + " PeriodicSite: Cl (19.96, 15.42, 15.37) [0.9828, 0.7592, 0.7567]\n", + " PeriodicSite: Cl (10.19, 5.29, 5.269) [0.5017, 0.2604, 0.2594]\n", + " PeriodicSite: Cl (9.895, 5.419, 15.05) [0.4872, 0.2668, 0.7411]\n", + " PeriodicSite: Cl (10.27, 15.35, 5.731) [0.5058, 0.7556, 0.2821]\n", + " PeriodicSite: Cl (9.957, 15.56, 15.15) [0.4902, 0.7659, 0.746]\n", + " PeriodicSite: S (5.014, 20.27, 4.942) [0.2468, 0.9979, 0.2433]\n", + " PeriodicSite: S (5.058, 20.01, 15.18) [0.249, 0.985, 0.7475]\n", + " PeriodicSite: S (5.474, 9.762, 5.243) [0.2695, 0.4806, 0.2581]\n", + " PeriodicSite: S (5.127, 10.4, 15.41) [0.2524, 0.5121, 0.7587]\n", + " PeriodicSite: S (14.89, 20.3, 5.195) [0.733, 0.9995, 0.2557]\n", + " PeriodicSite: S (15.24, 20.27, 15.08) [0.75, 0.998, 0.7423]\n", + " PeriodicSite: S (15.0, 10.31, 5.297) [0.7385, 0.5076, 0.2608]\n", + " PeriodicSite: S (15.4, 10.11, 15.13) [0.7581, 0.4977, 0.7449]\n", + " PeriodicSite: S (4.83, 4.789, 19.82) [0.2378, 0.2358, 0.9759]\n", + " PeriodicSite: S (5.241, 4.8, 10.31) [0.258, 0.2363, 0.5075]\n", + " PeriodicSite: S (4.642, 15.13, 20.23) [0.2285, 0.7447, 0.9957]\n", + " PeriodicSite: S (5.424, 15.51, 10.34) [0.267, 0.7636, 0.5092]\n", + " PeriodicSite: S (15.21, 5.088, 20.06) [0.7487, 0.2505, 0.9874]\n", + " PeriodicSite: S (15.36, 5.188, 9.623) [0.7564, 0.2554, 0.4738]\n", + " PeriodicSite: S (15.1, 15.38, 0.1659) [0.7433, 0.7573, 0.008172]\n", + " PeriodicSite: S (15.57, 15.36, 10.02) [0.7664, 0.7561, 0.4934]\n", + " PeriodicSite: S (8.78, 3.845, 8.729) [0.4323, 0.1893, 0.4297]\n", + " PeriodicSite: S (9.021, 3.228, 19.81) [0.4441, 0.1589, 0.9752]\n", + " PeriodicSite: S (9.163, 13.89, 8.75) [0.4511, 0.6841, 0.4308]\n", + " PeriodicSite: S (8.727, 14.05, 18.84) [0.4296, 0.6919, 0.9276]\n", + " PeriodicSite: S (19.02, 3.812, 9.289) [0.9362, 0.1876, 0.4573]\n", + " PeriodicSite: S (19.38, 4.324, 18.76) [0.9541, 0.2129, 0.9237]\n", + " PeriodicSite: S (19.03, 13.83, 9.129) [0.9371, 0.681, 0.4494]\n", + " PeriodicSite: S (18.59, 14.49, 18.95) [0.9153, 0.7132, 0.933]\n", + " PeriodicSite: S (3.729, 1.232, 1.27) [0.1836, 0.06067, 0.06251]\n", + " PeriodicSite: S (4.214, 0.9973, 11.37) [0.2074, 0.0491, 0.5595]\n", + " PeriodicSite: S (4.018, 11.27, 1.405) [0.1978, 0.5548, 0.06915]\n", + " PeriodicSite: S (4.202, 11.54, 11.64) [0.2069, 0.5682, 0.5732]\n", + " PeriodicSite: S (14.16, 1.231, 1.304) [0.697, 0.06058, 0.06419]\n", + " PeriodicSite: S (14.61, 1.227, 11.42) [0.7192, 0.06038, 0.5622]\n", + " PeriodicSite: S (13.94, 11.3, 1.113) [0.686, 0.5563, 0.05481]\n", + " PeriodicSite: S (14.06, 11.36, 11.59) [0.6922, 0.5593, 0.5705]\n", + " PeriodicSite: S (6.276, 1.161, 8.561) [0.309, 0.05717, 0.4215]\n", + " PeriodicSite: S (5.996, 0.8474, 18.97) [0.2952, 0.04172, 0.9338]\n", + " PeriodicSite: S (6.879, 11.07, 9.504) [0.3387, 0.5449, 0.4679]\n", + " PeriodicSite: S (6.188, 11.05, 19.04) [0.3046, 0.5438, 0.9374]\n", + " PeriodicSite: S (16.5, 1.192, 8.66) [0.8123, 0.05868, 0.4263]\n", + " PeriodicSite: S (16.53, 1.144, 19.16) [0.8137, 0.0563, 0.9432]\n", + " PeriodicSite: S (16.16, 11.41, 8.959) [0.7958, 0.5617, 0.441]\n", + " PeriodicSite: S (15.89, 11.5, 19.07) [0.7824, 0.5662, 0.9389]\n", + " PeriodicSite: S (1.011, 4.058, 1.006) [0.04978, 0.1998, 0.04953]\n", + " PeriodicSite: S (1.445, 3.77, 10.92) [0.07114, 0.1856, 0.5375]\n", + " PeriodicSite: S (1.029, 14.06, 0.5057) [0.05064, 0.6924, 0.0249]\n", + " PeriodicSite: S (1.497, 13.82, 11.08) [0.0737, 0.6802, 0.5454]\n", + " PeriodicSite: S (11.71, 4.127, 1.301) [0.5766, 0.2031, 0.06403]\n", + " PeriodicSite: S (11.03, 4.095, 11.2) [0.5431, 0.2016, 0.5513]\n", + " PeriodicSite: S (11.22, 13.81, 0.8662) [0.5525, 0.6799, 0.04265]\n", + " PeriodicSite: S (11.21, 13.92, 11.37) [0.5519, 0.6851, 0.5596]\n", + " PeriodicSite: S (2.42, 2.681, 17.79) [0.1192, 0.132, 0.8757]\n", + " PeriodicSite: S (2.456, 12.32, 7.618) [0.1209, 0.6068, 0.375]\n", + " PeriodicSite: S (12.69, 2.756, 7.738) [0.6249, 0.1357, 0.3809]\n", + " PeriodicSite: S (9.257, 8.648, 4.072) [0.4557, 0.4257, 0.2005]\n", + " PeriodicSite: S (8.992, 9.031, 14.3) [0.4427, 0.4446, 0.7039]\n", + " PeriodicSite: S (9.16, 18.97, 4.109) [0.4509, 0.934, 0.2023]\n", + " PeriodicSite: S (8.726, 19.63, 13.91) [0.4296, 0.9662, 0.6848]\n", + " PeriodicSite: S (18.57, 9.478, 3.787) [0.9142, 0.4666, 0.1864]\n", + " PeriodicSite: S (19.46, 8.764, 13.71) [0.9581, 0.4315, 0.6751]\n", + " PeriodicSite: S (19.18, 19.12, 4.198) [0.9441, 0.9411, 0.2067]\n", + " PeriodicSite: S (18.93, 19.15, 14.47) [0.9321, 0.9429, 0.7124]\n", + " PeriodicSite: S (4.2, 6.398, 6.321) [0.2068, 0.315, 0.3112]\n", + " PeriodicSite: S (3.854, 6.348, 16.11) [0.1897, 0.3125, 0.7932]\n", + " PeriodicSite: S (3.974, 16.17, 6.528) [0.1956, 0.7963, 0.3214]\n", + " PeriodicSite: S (3.688, 16.83, 16.66) [0.1815, 0.8285, 0.8203]\n", + " PeriodicSite: S (14.35, 6.338, 5.919) [0.7064, 0.312, 0.2914]\n", + " PeriodicSite: S (13.96, 6.655, 16.34) [0.6875, 0.3276, 0.8043]\n", + " PeriodicSite: S (13.78, 16.5, 6.379) [0.6782, 0.8121, 0.314]\n", + " PeriodicSite: S (13.91, 16.68, 16.39) [0.6846, 0.821, 0.807]\n", + " PeriodicSite: S (5.895, 6.007, 3.474) [0.2902, 0.2957, 0.171]\n", + " PeriodicSite: S (6.014, 6.264, 13.84) [0.2961, 0.3084, 0.6812]\n", + " PeriodicSite: S (6.61, 15.87, 4.452) [0.3254, 0.7815, 0.2192]\n", + " PeriodicSite: S (5.757, 16.34, 14.13) [0.2834, 0.8046, 0.6955]\n", + " PeriodicSite: S (16.93, 6.206, 3.76) [0.8336, 0.3055, 0.1851]\n", + " PeriodicSite: S (16.28, 6.197, 14.04) [0.8014, 0.3051, 0.6911]\n", + " PeriodicSite: S (16.06, 16.81, 4.091) [0.7908, 0.8277, 0.2014]\n", + " PeriodicSite: S (16.07, 16.5, 13.77) [0.7911, 0.8121, 0.6778]\n", + " PeriodicSite: S (0.8983, 8.951, 5.882) [0.04422, 0.4407, 0.2896]\n", + " PeriodicSite: S (1.425, 8.655, 16.29) [0.07014, 0.4261, 0.8021]\n", + " PeriodicSite: S (1.08, 19.04, 6.601) [0.05317, 0.9374, 0.325]\n", + " PeriodicSite: S (1.045, 19.11, 16.67) [0.05145, 0.9408, 0.8209]\n", + " PeriodicSite: S (11.67, 8.986, 6.608) [0.5744, 0.4424, 0.3253]\n", + " PeriodicSite: S (11.49, 9.488, 16.43) [0.5657, 0.4671, 0.8089]\n", + " PeriodicSite: S (11.4, 19.4, 6.489) [0.5613, 0.9553, 0.3195]\n", + " PeriodicSite: S (11.27, 19.21, 16.27) [0.5549, 0.9458, 0.8011]\n", + " PeriodicSite: S (2.477, 17.57, 2.387) [0.1219, 0.865, 0.1175]\n", + " PeriodicSite: S (2.316, 18.14, 12.6) [0.114, 0.8929, 0.6201]\n", + " PeriodicSite: S (12.52, 7.682, 12.79) [0.6163, 0.3782, 0.6297]\n", + " PeriodicSite: S (12.71, 17.92, 2.575) [0.6258, 0.882, 0.1268]\n", + " PeriodicSite: S (3.647, 3.787, 3.937) [0.1796, 0.1864, 0.1938]\n", + " PeriodicSite: S (3.745, 3.814, 14.04) [0.1844, 0.1878, 0.6914]\n", + " PeriodicSite: S (3.883, 13.76, 4.02) [0.1912, 0.6776, 0.1979]\n", + " PeriodicSite: S (3.045, 14.27, 14.6) [0.1499, 0.7027, 0.719]\n", + " PeriodicSite: S (14.14, 4.076, 3.632) [0.6961, 0.2006, 0.1788]\n", + " PeriodicSite: S (13.29, 4.423, 14.11) [0.6542, 0.2177, 0.6947]\n", + " PeriodicSite: S (13.8, 14.19, 3.944) [0.6795, 0.6987, 0.1942]\n", + " PeriodicSite: S (13.63, 14.14, 14.25) [0.6708, 0.6961, 0.7016]\n", + " PeriodicSite: S (8.675, 1.166, 6.276) [0.4271, 0.05741, 0.309]\n", + " PeriodicSite: S (9.228, 1.381, 16.64) [0.4543, 0.06799, 0.8192]\n", + " PeriodicSite: S (9.307, 11.36, 6.302) [0.4582, 0.5591, 0.3103]\n", + " PeriodicSite: S (8.677, 11.27, 16.84) [0.4272, 0.555, 0.8291]\n", + " PeriodicSite: S (19.47, 1.478, 6.321) [0.9585, 0.07276, 0.3112]\n", + " PeriodicSite: S (19.18, 1.193, 17.04) [0.9442, 0.05875, 0.8391]\n", + " PeriodicSite: S (18.87, 11.08, 6.457) [0.9291, 0.5457, 0.3179]\n", + " PeriodicSite: S (19.35, 11.03, 16.37) [0.9524, 0.5432, 0.806]\n", + " PeriodicSite: S (1.464, 0.9977, 4.094) [0.07209, 0.04912, 0.2015]\n", + " PeriodicSite: S (1.038, 1.333, 14.32) [0.05109, 0.06564, 0.7049]\n", + " PeriodicSite: S (0.9523, 11.64, 4.025) [0.04688, 0.573, 0.1982]\n", + " PeriodicSite: S (1.404, 11.2, 13.94) [0.0691, 0.5515, 0.6861]\n", + " PeriodicSite: S (11.1, 1.785, 4.098) [0.5463, 0.08788, 0.2017]\n", + " PeriodicSite: S (11.39, 1.573, 14.09) [0.5609, 0.07745, 0.6939]\n", + " PeriodicSite: S (11.56, 10.88, 3.802) [0.5689, 0.5355, 0.1872]\n", + " PeriodicSite: S (10.84, 11.8, 14.2) [0.5336, 0.5809, 0.6992]\n", + " PeriodicSite: S (6.38, 3.92, 6.111) [0.3141, 0.193, 0.3008]\n", + " PeriodicSite: S (6.461, 3.917, 16.08) [0.3181, 0.1928, 0.7916]\n", + " PeriodicSite: S (5.937, 13.39, 6.656) [0.2923, 0.6594, 0.3277]\n", + " PeriodicSite: S (5.773, 14.15, 16.85) [0.2842, 0.6967, 0.8294]\n", + " PeriodicSite: S (16.55, 3.574, 6.006) [0.815, 0.176, 0.2957]\n", + " PeriodicSite: S (16.03, 4.172, 16.48) [0.789, 0.2054, 0.8114]\n", + " PeriodicSite: S (16.24, 14.21, 6.068) [0.7994, 0.6998, 0.2987]\n", + " PeriodicSite: S (16.42, 14.15, 16.06) [0.8082, 0.6965, 0.7908]\n", + " PeriodicSite: S (7.456, 2.599, 12.53) [0.3671, 0.128, 0.6169]\n", + " PeriodicSite: S (7.544, 12.19, 2.548) [0.3714, 0.6, 0.1254]\n", + " PeriodicSite: S (18.26, 2.529, 2.222) [0.8988, 0.1245, 0.1094]\n", + " PeriodicSite: S (17.48, 12.87, 2.664) [0.8606, 0.6336, 0.1311]\n", + " PeriodicSite: S (17.99, 12.5, 12.59) [0.8858, 0.6155, 0.6198]\n", + " PeriodicSite: S (4.225, 9.182, 9.221) [0.208, 0.452, 0.454]\n", + " PeriodicSite: S (3.923, 8.768, 19.3) [0.1932, 0.4316, 0.95]\n", + " PeriodicSite: S (3.8, 19.27, 8.92) [0.1871, 0.9486, 0.4391]\n", + " PeriodicSite: S (3.618, 19.03, 19.4) [0.1781, 0.9367, 0.9553]\n", + " PeriodicSite: S (13.9, 9.049, 9.191) [0.6841, 0.4455, 0.4525]\n", + " PeriodicSite: S (14.42, 8.718, 19.08) [0.71, 0.4292, 0.9391]\n", + " PeriodicSite: S (14.38, 18.96, 9.109) [0.7078, 0.9334, 0.4485]\n", + " PeriodicSite: S (14.05, 19.21, 19.3) [0.6918, 0.9456, 0.9502]\n", + " PeriodicSite: S (8.795, 6.002, 1.095) [0.433, 0.2955, 0.0539]\n", + " PeriodicSite: S (8.86, 6.602, 10.75) [0.4362, 0.325, 0.5293]\n", + " PeriodicSite: S (8.649, 16.15, 1.147) [0.4258, 0.7949, 0.05646]\n", + " PeriodicSite: S (8.98, 16.24, 11.46) [0.4421, 0.7993, 0.5642]\n", + " PeriodicSite: S (18.9, 6.504, 1.016) [0.9303, 0.3202, 0.05005]\n", + " PeriodicSite: S (19.3, 6.195, 11.71) [0.9501, 0.305, 0.5764]\n", + " PeriodicSite: S (18.78, 16.16, 1.561) [0.9245, 0.7958, 0.07688]\n", + " PeriodicSite: S (19.46, 16.03, 11.39) [0.958, 0.7894, 0.5609]\n", + " PeriodicSite: S (1.095, 6.386, 8.991) [0.05392, 0.3144, 0.4427]\n", + " PeriodicSite: S (1.149, 6.676, 19.35) [0.05658, 0.3286, 0.9525]\n", + " PeriodicSite: S (1.142, 16.05, 8.646) [0.05622, 0.7903, 0.4256]\n", + " PeriodicSite: S (0.4723, 17.02, 19.33) [0.02325, 0.8379, 0.9515]\n", + " PeriodicSite: S (11.28, 6.272, 8.639) [0.5552, 0.3088, 0.4253]\n", + " PeriodicSite: S (11.1, 5.991, 18.92) [0.5464, 0.2949, 0.9315]\n", + " PeriodicSite: S (11.46, 16.4, 9.117) [0.564, 0.8074, 0.4488]\n", + " PeriodicSite: S (10.85, 16.56, 18.92) [0.5343, 0.8151, 0.9313]\n", + " PeriodicSite: S (6.304, 8.823, 1.306) [0.3103, 0.4343, 0.06429]\n", + " PeriodicSite: S (6.044, 8.714, 11.69) [0.2975, 0.429, 0.5754]\n", + " PeriodicSite: S (6.091, 19.28, 1.415) [0.2998, 0.9493, 0.06967]\n", + " PeriodicSite: S (6.538, 19.12, 11.01) [0.3219, 0.9412, 0.5422]\n", + " PeriodicSite: S (16.63, 9.191, 1.092) [0.8189, 0.4525, 0.05378]\n", + " PeriodicSite: S (16.46, 9.153, 11.47) [0.8104, 0.4506, 0.5649]\n", + " PeriodicSite: S (16.71, 19.22, 1.122) [0.8227, 0.9461, 0.05522]\n", + " PeriodicSite: S (17.07, 19.19, 11.09) [0.8404, 0.9448, 0.5461]\n", + " PeriodicSite: S (7.481, 7.394, 18.02) [0.3683, 0.364, 0.8872]\n", + " PeriodicSite: S (7.852, 17.49, 7.648) [0.3866, 0.861, 0.3765]\n", + " PeriodicSite: S (17.48, 7.371, 7.435) [0.8606, 0.3629, 0.3661]\n", + " PeriodicSite: S (17.9, 17.68, 7.625) [0.8815, 0.8706, 0.3754]\n", + " PeriodicSite: P (4.849, 0.01065, 0.07392) [0.2387, 0.0005223, 0.00364]\n", + " PeriodicSite: P (5.242, 0.03016, 9.902) [0.2581, 0.001483, 0.4875]\n", + " PeriodicSite: P (5.115, 10.07, 0.1516) [0.2518, 0.4956, 0.007464]\n", + " PeriodicSite: P (5.403, 10.22, 10.53) [0.266, 0.5034, 0.5186]\n", + " PeriodicSite: P (15.36, 0.01667, 0.02992) [0.7561, 0.0008134, 0.001477]\n", + " PeriodicSite: P (15.64, 20.3, 10.03) [0.7699, 0.9995, 0.4938]\n", + " PeriodicSite: P (15.21, 10.08, 0.007235) [0.7488, 0.4963, 0.0003612]\n", + " PeriodicSite: P (15.17, 10.17, 10.32) [0.7468, 0.5007, 0.5081]\n", + " PeriodicSite: P (5.074, 4.923, 5.075) [0.2498, 0.2424, 0.2499]\n", + " PeriodicSite: P (5.068, 4.956, 15.02) [0.2495, 0.244, 0.7393]\n", + " PeriodicSite: P (5.201, 14.82, 5.29) [0.2561, 0.7298, 0.2604]\n", + " PeriodicSite: P (4.561, 15.4, 15.59) [0.2245, 0.7583, 0.7675]\n", + " PeriodicSite: P (15.47, 5.027, 4.955) [0.7617, 0.2475, 0.244]\n", + " PeriodicSite: P (14.79, 5.259, 15.17) [0.7281, 0.2589, 0.7468]\n", + " PeriodicSite: P (14.98, 15.41, 5.149) [0.7376, 0.7588, 0.2535]\n", + " PeriodicSite: P (15.03, 15.39, 15.18) [0.7397, 0.7578, 0.7472]\n", + " PeriodicSite: P (0.1464, 20.27, 5.239) [0.007201, 0.9977, 0.2579]\n", + " PeriodicSite: P (20.18, 0.003837, 15.55) [0.9935, 0.0001809, 0.7654]\n", + " PeriodicSite: P (19.99, 10.19, 4.932) [0.984, 0.5015, 0.2428]\n", + " PeriodicSite: P (0.2025, 9.882, 15.05) [0.009967, 0.4865, 0.7408]\n", + " PeriodicSite: P (10.13, 0.178, 5.206) [0.4985, 0.008758, 0.2563]\n", + " PeriodicSite: P (10.21, 0.2563, 15.15) [0.5027, 0.01261, 0.746]\n", + " PeriodicSite: P (10.36, 9.972, 5.281) [0.5103, 0.4909, 0.26]\n", + " PeriodicSite: P (9.887, 10.43, 15.43) [0.4867, 0.5137, 0.7595]\n", + " PeriodicSite: P (20.13, 5.356, 0.01635) [0.9912, 0.2637, 0.000811]\n", + " PeriodicSite: P (0.03529, 5.099, 10.19) [0.001738, 0.251, 0.5017]\n", + " PeriodicSite: P (19.93, 15.46, 20.31) [0.981, 0.7609, 0.9997]\n", + " PeriodicSite: P (0.2294, 14.96, 10.08) [0.01129, 0.7363, 0.4961]\n", + " PeriodicSite: P (10.26, 4.858, 0.02203) [0.505, 0.2391, 0.001088]\n", + " PeriodicSite: P (9.971, 5.289, 9.763) [0.4909, 0.2604, 0.4806]\n", + " PeriodicSite: P (9.936, 15.1, 20.21) [0.4892, 0.7433, 0.9952]\n", + " PeriodicSite: P (10.15, 15.19, 10.1) [0.4996, 0.7477, 0.4972],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.675, 6.488, 4.464) [0.08244, 0.3194, 0.2198]\n", + " PeriodicSite: Li (20.28, 3.402, 13.18) [0.9986, 0.1675, 0.6488]\n", + " PeriodicSite: Li (0.4207, 11.82, 7.872) [0.02071, 0.582, 0.3876]\n", + " PeriodicSite: Li (0.9467, 13.16, 15.59) [0.0466, 0.6479, 0.7674]\n", + " PeriodicSite: Li (14.32, 0.4024, 7.186) [0.7048, 0.0198, 0.3538]\n", + " PeriodicSite: Li (11.6, 3.339, 15.45) [0.5711, 0.1644, 0.7606]\n", + " PeriodicSite: Li (13.41, 12.2, 4.887) [0.6602, 0.6008, 0.2406]\n", + " PeriodicSite: Li (16.18, 8.016, 15.89) [0.7963, 0.3947, 0.7823]\n", + " PeriodicSite: Li (4.266, 4.707, 7.95) [0.21, 0.2317, 0.3914]\n", + " PeriodicSite: Li (2.771, 3.029, 20.06) [0.1364, 0.1491, 0.9875]\n", + " PeriodicSite: Li (4.269, 8.007, 4.169) [0.2102, 0.3942, 0.2052]\n", + " PeriodicSite: Li (6.792, 9.771, 17.31) [0.3344, 0.481, 0.8523]\n", + " PeriodicSite: Li (11.72, 3.84, 6.005) [0.5771, 0.189, 0.2957]\n", + " PeriodicSite: Li (13.85, 0.8114, 17.19) [0.6817, 0.03994, 0.8463]\n", + " PeriodicSite: Li (10.84, 9.373, 12.86) [0.5339, 0.4615, 0.6333]\n", + " PeriodicSite: Li (7.898, 19.49, 19.53) [0.3888, 0.9595, 0.9613]\n", + " PeriodicSite: Li (6.105, 1.524, 6.526) [0.3006, 0.07503, 0.3213]\n", + " PeriodicSite: Li (4.096, 19.91, 13.11) [0.2016, 0.98, 0.6456]\n", + " PeriodicSite: Li (2.888, 10.72, 5.657) [0.1422, 0.5277, 0.2785]\n", + " PeriodicSite: Li (6.659, 10.5, 13.14) [0.3278, 0.517, 0.6468]\n", + " PeriodicSite: Li (12.51, 1.786, 10.14) [0.616, 0.08794, 0.4993]\n", + " PeriodicSite: Li (10.2, 1.257, 18.21) [0.5023, 0.06187, 0.8964]\n", + " PeriodicSite: Li (13.61, 14.7, 8.625) [0.67, 0.7237, 0.4246]\n", + " PeriodicSite: Li (11.97, 10.03, 1.263) [0.5893, 0.4936, 0.06216]\n", + " PeriodicSite: Li (0.7335, 4.198, 7.331) [0.03611, 0.2067, 0.3609]\n", + " PeriodicSite: Li (0.2722, 3.465, 17.08) [0.01341, 0.1706, 0.8411]\n", + " PeriodicSite: Li (1.896, 13.22, 5.389) [0.09335, 0.6507, 0.2653]\n", + " PeriodicSite: Li (2.765, 15.93, 19.62) [0.1361, 0.7842, 0.966]\n", + " PeriodicSite: Li (13.71, 1.635, 4.882) [0.6749, 0.0805, 0.2403]\n", + " PeriodicSite: Li (16.72, 1.759, 16.0) [0.8233, 0.08661, 0.7877]\n", + " PeriodicSite: Li (12.26, 11.44, 9.792) [0.6037, 0.5632, 0.4821]\n", + " PeriodicSite: Li (17.14, 17.0, 0.0205) [0.8438, 0.837, 0.001015]\n", + " PeriodicSite: Li (5.449, 2.168, 3.465) [0.2683, 0.1067, 0.1706]\n", + " PeriodicSite: Li (20.17, 17.39, 3.375) [0.9929, 0.8561, 0.1662]\n", + " PeriodicSite: Li (3.015, 14.81, 7.805) [0.1484, 0.7292, 0.3842]\n", + " PeriodicSite: Li (1.185, 17.68, 15.03) [0.05834, 0.8705, 0.7402]\n", + " PeriodicSite: Li (15.07, 3.525, 8.085) [0.7417, 0.1735, 0.398]\n", + " PeriodicSite: Li (13.63, 5.116, 18.18) [0.6712, 0.2519, 0.8952]\n", + " PeriodicSite: Li (17.07, 15.14, 8.155) [0.8402, 0.7453, 0.4015]\n", + " PeriodicSite: Li (10.59, 11.93, 18.15) [0.5212, 0.5875, 0.8936]\n", + " PeriodicSite: Li (3.247, 2.158, 5.553) [0.1598, 0.1062, 0.2734]\n", + " PeriodicSite: Li (1.405, 0.7249, 18.69) [0.06919, 0.03569, 0.9203]\n", + " PeriodicSite: Li (5.099, 11.37, 7.368) [0.251, 0.5596, 0.3627]\n", + " PeriodicSite: Li (17.59, 14.34, 4.593) [0.8662, 0.7059, 0.2261]\n", + " PeriodicSite: Li (10.58, 1.437, 8.309) [0.5209, 0.07072, 0.4091]\n", + " PeriodicSite: Li (16.82, 0.3467, 13.84) [0.8281, 0.01706, 0.6814]\n", + " PeriodicSite: Li (13.7, 10.46, 7.155) [0.6744, 0.515, 0.3522]\n", + " PeriodicSite: Li (14.47, 9.818, 17.43) [0.7124, 0.4834, 0.8579]\n", + " PeriodicSite: Li (3.907, 12.33, 15.53) [0.1923, 0.6071, 0.7646]\n", + " PeriodicSite: Li (2.636, 11.97, 9.736) [0.1298, 0.5894, 0.4793]\n", + " PeriodicSite: Li (2.291, 16.63, 5.062) [0.1128, 0.8185, 0.2492]\n", + " PeriodicSite: Li (1.973, 1.158, 9.131) [0.09711, 0.05702, 0.4495]\n", + " PeriodicSite: Li (12.92, 6.53, 0.6418) [0.6359, 0.3215, 0.0316]\n", + " PeriodicSite: Li (11.95, 7.12, 14.85) [0.5885, 0.3505, 0.7313]\n", + " PeriodicSite: Li (10.57, 13.5, 6.714) [0.5202, 0.6645, 0.3305]\n", + " PeriodicSite: Li (13.59, 18.81, 14.26) [0.6692, 0.926, 0.702]\n", + " PeriodicSite: Li (3.118, 6.166, 0.5706) [0.1535, 0.3036, 0.02809]\n", + " PeriodicSite: Li (3.484, 5.408, 11.61) [0.1715, 0.2663, 0.5715]\n", + " PeriodicSite: Li (6.53, 15.95, 19.5) [0.3215, 0.7851, 0.96]\n", + " PeriodicSite: Li (3.824, 18.21, 15.12) [0.1883, 0.8966, 0.7446]\n", + " PeriodicSite: Li (13.03, 3.456, 0.1537) [0.6417, 0.1701, 0.007568]\n", + " PeriodicSite: Li (10.85, 5.726, 12.61) [0.5343, 0.2819, 0.6207]\n", + " PeriodicSite: Li (11.88, 15.92, 3.787) [0.5847, 0.7837, 0.1865]\n", + " PeriodicSite: Li (10.69, 17.65, 13.91) [0.5261, 0.869, 0.6846]\n", + " PeriodicSite: Li (3.176, 10.09, 17.27) [0.1564, 0.4969, 0.8501]\n", + " PeriodicSite: Li (4.413, 7.388, 10.77) [0.2172, 0.3637, 0.53]\n", + " PeriodicSite: Li (4.473, 17.37, 1.354) [0.2202, 0.8552, 0.06668]\n", + " PeriodicSite: Li (1.648, 18.12, 10.53) [0.08111, 0.8922, 0.5182]\n", + " PeriodicSite: Li (10.46, 6.322, 2.918) [0.5151, 0.3112, 0.1436]\n", + " PeriodicSite: Li (14.25, 6.089, 12.15) [0.7014, 0.2998, 0.598]\n", + " PeriodicSite: Li (10.24, 18.06, 2.099) [0.5043, 0.8891, 0.1033]\n", + " PeriodicSite: Li (13.39, 15.31, 11.82) [0.6591, 0.7535, 0.582]\n", + " PeriodicSite: Li (1.758, 9.604, 2.193) [0.08653, 0.4728, 0.108]\n", + " PeriodicSite: Li (17.69, 5.311, 7.95) [0.8711, 0.2615, 0.3914]\n", + " PeriodicSite: Li (3.134, 19.65, 3.505) [0.1543, 0.9674, 0.1726]\n", + " PeriodicSite: Li (0.6494, 19.73, 12.52) [0.03196, 0.9713, 0.6162]\n", + " PeriodicSite: Li (9.835, 6.906, 6.441) [0.4842, 0.34, 0.3171]\n", + " PeriodicSite: Li (13.01, 11.1, 15.59) [0.6404, 0.5466, 0.7677]\n", + " PeriodicSite: Li (14.76, 16.95, 1.819) [0.7269, 0.8344, 0.08954]\n", + " PeriodicSite: Li (12.16, 14.73, 16.12) [0.5987, 0.725, 0.7936]\n", + " PeriodicSite: Li (6.91, 8.422, 5.428) [0.3402, 0.4146, 0.2672]\n", + " PeriodicSite: Li (19.78, 12.54, 12.59) [0.9739, 0.6173, 0.62]\n", + " PeriodicSite: Li (19.98, 17.35, 7.351) [0.9837, 0.8542, 0.3619]\n", + " PeriodicSite: Li (6.96, 18.62, 15.43) [0.3427, 0.9166, 0.7595]\n", + " PeriodicSite: Li (15.62, 10.59, 2.979) [0.7688, 0.5212, 0.1467]\n", + " PeriodicSite: Li (11.95, 8.295, 10.46) [0.5884, 0.4084, 0.5149]\n", + " PeriodicSite: Li (12.94, 15.71, 0.7697) [0.637, 0.7732, 0.0379]\n", + " PeriodicSite: Li (11.72, 18.62, 10.36) [0.5768, 0.9167, 0.5098]\n", + " PeriodicSite: Li (4.737, 2.817, 18.15) [0.2332, 0.1387, 0.8935]\n", + " PeriodicSite: Li (3.655, 9.808, 13.46) [0.1799, 0.4829, 0.6627]\n", + " PeriodicSite: Li (7.012, 20.06, 3.014) [0.3452, 0.9877, 0.1484]\n", + " PeriodicSite: Li (1.157, 15.78, 13.19) [0.05694, 0.777, 0.6496]\n", + " PeriodicSite: Li (13.23, 8.285, 4.68) [0.6515, 0.4079, 0.2304]\n", + " PeriodicSite: Li (14.27, 9.141, 13.24) [0.7024, 0.45, 0.6517]\n", + " PeriodicSite: Li (13.06, 18.12, 5.014) [0.643, 0.8921, 0.2469]\n", + " PeriodicSite: Li (17.93, 5.128, 14.63) [0.8827, 0.2524, 0.7202]\n", + " PeriodicSite: Li (10.07, 1.874, 1.06) [0.4958, 0.09223, 0.05221]\n", + " PeriodicSite: Li (10.1, 2.275, 12.1) [0.4971, 0.112, 0.5957]\n", + " PeriodicSite: Li (7.181, 12.05, 4.75) [0.3535, 0.5934, 0.2339]\n", + " PeriodicSite: Li (6.64, 12.17, 15.51) [0.3269, 0.599, 0.7638]\n", + " PeriodicSite: Li (18.27, 4.432, 4.098) [0.8996, 0.2182, 0.2017]\n", + " PeriodicSite: Li (13.24, 4.549, 9.226) [0.652, 0.224, 0.4542]\n", + " PeriodicSite: Li (19.97, 13.49, 2.873) [0.9833, 0.6644, 0.1415]\n", + " PeriodicSite: Li (17.12, 10.22, 13.53) [0.843, 0.503, 0.6663]\n", + " PeriodicSite: Li (6.757, 18.26, 5.496) [0.3327, 0.8991, 0.2706]\n", + " PeriodicSite: Li (7.911, 3.842, 14.54) [0.3895, 0.1891, 0.7159]\n", + " PeriodicSite: Li (4.347, 14.02, 18.52) [0.214, 0.69, 0.9119]\n", + " PeriodicSite: Li (9.75, 13.68, 13.66) [0.48, 0.6734, 0.6724]\n", + " PeriodicSite: Li (14.54, 19.43, 2.925) [0.7157, 0.9564, 0.144]\n", + " PeriodicSite: Li (18.6, 1.974, 10.34) [0.9156, 0.09719, 0.5092]\n", + " PeriodicSite: Li (17.08, 13.7, 0.5934) [0.841, 0.6745, 0.02922]\n", + " PeriodicSite: Li (17.59, 14.42, 10.86) [0.8662, 0.7098, 0.5349]\n", + " PeriodicSite: Li (8.788, 3.145, 4.674) [0.4327, 0.1548, 0.2301]\n", + " PeriodicSite: Li (8.026, 0.1469, 11.79) [0.3951, 0.007229, 0.5804]\n", + " PeriodicSite: Li (10.07, 12.5, 2.42) [0.4959, 0.6154, 0.1191]\n", + " PeriodicSite: Li (4.125, 13.93, 11.66) [0.2031, 0.6856, 0.5741]\n", + " PeriodicSite: Li (20.21, 2.808, 2.468) [0.9948, 0.1382, 0.1215]\n", + " PeriodicSite: Li (0.5686, 7.857, 11.61) [0.02799, 0.3868, 0.5718]\n", + " PeriodicSite: Li (15.31, 13.95, 2.319) [0.7537, 0.687, 0.1142]\n", + " PeriodicSite: Li (15.71, 12.9, 14.69) [0.7736, 0.6353, 0.7231]\n", + " PeriodicSite: Li (4.074, 19.67, 6.591) [0.2005, 0.9685, 0.3245]\n", + " PeriodicSite: Li (6.904, 1.245, 14.55) [0.3399, 0.06129, 0.7164]\n", + " PeriodicSite: Li (5.398, 13.26, 2.047) [0.2657, 0.6528, 0.1008]\n", + " PeriodicSite: Li (8.199, 7.091, 15.31) [0.4036, 0.3491, 0.7538]\n", + " PeriodicSite: Li (16.95, 4.914, 1.521) [0.8342, 0.2419, 0.07486]\n", + " PeriodicSite: Li (14.95, 17.65, 11.67) [0.7359, 0.8688, 0.5745]\n", + " PeriodicSite: Li (13.86, 13.27, 19.14) [0.6825, 0.6531, 0.9422]\n", + " PeriodicSite: Li (18.03, 10.64, 10.7) [0.8875, 0.524, 0.5265]\n", + " PeriodicSite: Li (7.695, 8.031, 20.04) [0.3788, 0.3954, 0.9867]\n", + " PeriodicSite: Li (5.363, 3.12, 12.28) [0.2641, 0.1536, 0.6046]\n", + " PeriodicSite: Li (8.406, 9.808, 2.287) [0.4139, 0.4828, 0.1126]\n", + " PeriodicSite: Li (8.981, 12.03, 11.12) [0.4421, 0.5924, 0.5473]\n", + " PeriodicSite: Li (15.29, 2.821, 1.76) [0.7529, 0.1389, 0.08667]\n", + " PeriodicSite: Li (16.67, 4.603, 11.56) [0.8208, 0.2266, 0.5692]\n", + " PeriodicSite: Li (20.31, 12.61, 19.18) [1.0, 0.6209, 0.9444]\n", + " PeriodicSite: Li (17.93, 14.85, 13.84) [0.8825, 0.7311, 0.6812]\n", + " PeriodicSite: Li (6.078, 2.882, 0.2794) [0.2992, 0.1419, 0.01376]\n", + " PeriodicSite: Li (7.023, 3.256, 10.17) [0.3458, 0.1603, 0.5008]\n", + " PeriodicSite: Li (8.091, 14.73, 2.654) [0.3983, 0.7251, 0.1307]\n", + " PeriodicSite: Li (4.375, 16.88, 11.93) [0.2154, 0.8311, 0.5872]\n", + " PeriodicSite: Li (18.53, 2.36, 0.008242) [0.9125, 0.1162, 0.000411]\n", + " PeriodicSite: Li (1.469, 7.187, 14.63) [0.07234, 0.3538, 0.7204]\n", + " PeriodicSite: Li (6.587, 13.51, 9.9) [0.3243, 0.665, 0.4874]\n", + " PeriodicSite: Li (15.44, 13.22, 11.67) [0.76, 0.6509, 0.5744]\n", + " PeriodicSite: Li (16.73, 11.69, 4.764) [0.8234, 0.5757, 0.2345]\n", + " PeriodicSite: Li (5.17, 8.01, 15.45) [0.2545, 0.3943, 0.7607]\n", + " PeriodicSite: Li (6.963, 15.28, 12.42) [0.3428, 0.7523, 0.6116]\n", + " PeriodicSite: Li (1.528, 18.47, 0.8141) [0.0752, 0.9095, 0.04008]\n", + " PeriodicSite: Li (16.64, 10.45, 7.294) [0.819, 0.5145, 0.3591]\n", + " PeriodicSite: Li (2.669, 5.178, 18.25) [0.1314, 0.2549, 0.8984]\n", + " PeriodicSite: Li (16.97, 1.674, 4.884) [0.8356, 0.0824, 0.2404]\n", + " PeriodicSite: Li (18.93, 19.59, 18.47) [0.9318, 0.9643, 0.9093]\n", + " PeriodicSite: Li (4.927, 8.401, 6.924) [0.2426, 0.4136, 0.3409]\n", + " PeriodicSite: Li (7.449, 5.23, 18.22) [0.3667, 0.2575, 0.8971]\n", + " PeriodicSite: Li (8.017, 19.87, 8.308) [0.3947, 0.9784, 0.409]\n", + " PeriodicSite: Li (9.165, 16.15, 17.69) [0.4512, 0.7949, 0.8707]\n", + " PeriodicSite: Li (17.3, 7.099, 9.973) [0.8517, 0.3495, 0.491]\n", + " PeriodicSite: Li (19.08, 8.372, 0.06298) [0.9392, 0.4121, 0.003106]\n", + " PeriodicSite: Li (18.46, 19.53, 8.153) [0.9088, 0.9615, 0.4014]\n", + " PeriodicSite: Li (18.38, 15.74, 17.16) [0.9051, 0.775, 0.845]\n", + " PeriodicSite: Li (7.148, 5.952, 9.128) [0.3519, 0.293, 0.4494]\n", + " PeriodicSite: Li (2.764, 1.283, 15.89) [0.1361, 0.06315, 0.7823]\n", + " PeriodicSite: Li (7.319, 16.44, 9.886) [0.3603, 0.8096, 0.4867]\n", + " PeriodicSite: Li (17.4, 10.53, 17.2) [0.8567, 0.5186, 0.8469]\n", + " PeriodicSite: Li (19.64, 8.499, 8.458) [0.9667, 0.4184, 0.4164]\n", + " PeriodicSite: Li (16.23, 3.77, 18.74) [0.7991, 0.1856, 0.9225]\n", + " PeriodicSite: Li (15.32, 16.97, 8.385) [0.7541, 0.8356, 0.4128]\n", + " PeriodicSite: Li (14.87, 16.7, 18.63) [0.732, 0.8224, 0.9171]\n", + " PeriodicSite: Li (8.416, 9.009, 9.869) [0.4143, 0.4435, 0.4858]\n", + " PeriodicSite: Li (6.2, 5.611, 1.261) [0.3052, 0.2762, 0.0621]\n", + " PeriodicSite: Li (5.234, 17.07, 8.655) [0.2577, 0.8402, 0.4261]\n", + " PeriodicSite: Li (7.979, 11.78, 0.2154) [0.3928, 0.5801, 0.01061]\n", + " PeriodicSite: Li (15.21, 6.854, 8.159) [0.749, 0.3374, 0.4017]\n", + " PeriodicSite: Li (19.83, 7.371, 17.32) [0.9762, 0.3629, 0.8529]\n", + " PeriodicSite: Li (17.09, 18.7, 5.562) [0.8412, 0.9204, 0.2738]\n", + " PeriodicSite: Li (16.23, 18.43, 16.19) [0.7992, 0.9071, 0.7968]\n", + " PeriodicSite: Li (6.947, 5.033, 12.14) [0.342, 0.2478, 0.5977]\n", + " PeriodicSite: Li (5.189, 6.973, 18.47) [0.2555, 0.3433, 0.9094]\n", + " PeriodicSite: Li (9.865, 17.67, 6.868) [0.4857, 0.8701, 0.3381]\n", + " PeriodicSite: Li (12.51, 19.41, 0.6913) [0.6159, 0.9554, 0.03404]\n", + " PeriodicSite: Li (16.38, 8.06, 5.379) [0.8063, 0.3968, 0.2648]\n", + " PeriodicSite: Li (15.84, 7.346, 19.74) [0.78, 0.3616, 0.9719]\n", + " PeriodicSite: Li (17.88, 17.64, 10.07) [0.8804, 0.8682, 0.4956]\n", + " PeriodicSite: Li (17.92, 0.3832, 2.214) [0.882, 0.01886, 0.109]\n", + " PeriodicSite: Li (5.5, 10.83, 2.85) [0.2708, 0.5333, 0.1403]\n", + " PeriodicSite: Li (10.03, 8.076, 18.37) [0.4936, 0.3976, 0.9044]\n", + " PeriodicSite: Li (7.89, 15.76, 6.631) [0.3884, 0.776, 0.3265]\n", + " PeriodicSite: Li (5.325, 19.33, 17.58) [0.2622, 0.9517, 0.8652]\n", + " PeriodicSite: Li (19.05, 7.131, 5.746) [0.9379, 0.3511, 0.2829]\n", + " PeriodicSite: Li (18.66, 10.96, 1.695) [0.9188, 0.5394, 0.08343]\n", + " PeriodicSite: Li (2.97, 15.5, 1.986) [0.1462, 0.7631, 0.0978]\n", + " PeriodicSite: Li (13.88, 1.375, 13.59) [0.6835, 0.06768, 0.6688]\n", + " PeriodicSite: Cl (7.909, 12.55, 13.06) [0.3894, 0.6177, 0.6429]\n", + " PeriodicSite: Cl (2.456, 12.46, 17.46) [0.1209, 0.6133, 0.8596]\n", + " PeriodicSite: Cl (12.59, 17.62, 12.64) [0.6198, 0.8673, 0.6224]\n", + " PeriodicSite: Cl (17.52, 8.139, 17.83) [0.8623, 0.4007, 0.878]\n", + " PeriodicSite: Cl (7.281, 2.517, 2.25) [0.3585, 0.1239, 0.1108]\n", + " PeriodicSite: Cl (7.689, 7.936, 7.568) [0.3785, 0.3907, 0.3726]\n", + " PeriodicSite: Cl (13.0, 12.74, 7.788) [0.6398, 0.6271, 0.3834]\n", + " PeriodicSite: Cl (2.553, 7.307, 2.801) [0.1257, 0.3597, 0.1379]\n", + " PeriodicSite: Cl (2.628, 7.399, 12.27) [0.1294, 0.3643, 0.604]\n", + " PeriodicSite: Cl (12.43, 12.74, 17.21) [0.6118, 0.6272, 0.8471]\n", + " PeriodicSite: Cl (17.17, 17.44, 18.31) [0.8452, 0.8586, 0.9013]\n", + " PeriodicSite: Cl (2.658, 2.888, 7.711) [0.1308, 0.1422, 0.3796]\n", + " PeriodicSite: Cl (12.68, 2.587, 18.08) [0.624, 0.1274, 0.8902]\n", + " PeriodicSite: Cl (12.36, 8.028, 2.577) [0.6086, 0.3952, 0.1269]\n", + " PeriodicSite: Cl (18.01, 2.476, 12.7) [0.8868, 0.1219, 0.6255]\n", + " PeriodicSite: Cl (7.192, 17.56, 17.62) [0.3541, 0.8647, 0.8675]\n", + " PeriodicSite: Cl (19.84, 0.3736, 20.31) [0.9765, 0.01839, 0.9997]\n", + " PeriodicSite: Cl (0.315, 20.07, 10.32) [0.0155, 0.9883, 0.5079]\n", + " PeriodicSite: Cl (19.84, 10.39, 20.1) [0.9768, 0.5113, 0.9897]\n", + " PeriodicSite: Cl (20.26, 10.35, 10.25) [0.9975, 0.5096, 0.5047]\n", + " PeriodicSite: Cl (9.895, 20.05, 0.03804) [0.4871, 0.9871, 0.001877]\n", + " PeriodicSite: Cl (10.51, 0.3684, 10.47) [0.5174, 0.01813, 0.5152]\n", + " PeriodicSite: Cl (9.797, 10.14, 0.07765) [0.4823, 0.4991, 0.003826]\n", + " PeriodicSite: Cl (10.44, 9.985, 10.45) [0.5139, 0.4916, 0.5146]\n", + " PeriodicSite: Cl (20.07, 5.183, 5.384) [0.9882, 0.2551, 0.2651]\n", + " PeriodicSite: Cl (20.12, 5.573, 15.57) [0.9904, 0.2744, 0.7667]\n", + " PeriodicSite: Cl (0.03181, 15.03, 4.888) [0.001561, 0.7397, 0.2406]\n", + " PeriodicSite: Cl (19.99, 15.08, 15.03) [0.984, 0.7425, 0.7401]\n", + " PeriodicSite: Cl (10.2, 5.148, 4.964) [0.5021, 0.2534, 0.2444]\n", + " PeriodicSite: Cl (10.05, 5.245, 14.6) [0.495, 0.2582, 0.7189]\n", + " PeriodicSite: Cl (9.966, 15.57, 5.386) [0.4906, 0.7664, 0.2651]\n", + " PeriodicSite: Cl (10.22, 15.75, 15.32) [0.5033, 0.7752, 0.7541]\n", + " PeriodicSite: S (5.385, 20.29, 4.873) [0.2651, 0.9988, 0.2399]\n", + " PeriodicSite: S (5.039, 20.24, 15.46) [0.2481, 0.9965, 0.761]\n", + " PeriodicSite: S (5.246, 10.04, 5.134) [0.2583, 0.4944, 0.2528]\n", + " PeriodicSite: S (5.137, 10.26, 15.38) [0.2529, 0.5049, 0.7572]\n", + " PeriodicSite: S (15.31, 20.28, 4.992) [0.7539, 0.9986, 0.2457]\n", + " PeriodicSite: S (15.09, 0.2845, 15.4) [0.7431, 0.014, 0.7581]\n", + " PeriodicSite: S (15.05, 10.13, 5.228) [0.7411, 0.4988, 0.2574]\n", + " PeriodicSite: S (15.36, 10.28, 15.31) [0.756, 0.5059, 0.7537]\n", + " PeriodicSite: S (4.957, 4.786, 19.66) [0.244, 0.2356, 0.9681]\n", + " PeriodicSite: S (5.289, 5.077, 10.22) [0.2604, 0.2499, 0.5033]\n", + " PeriodicSite: S (4.645, 15.2, 0.333) [0.2286, 0.7483, 0.0164]\n", + " PeriodicSite: S (5.353, 15.31, 10.57) [0.2635, 0.7539, 0.5205]\n", + " PeriodicSite: S (14.82, 4.974, 0.1098) [0.7297, 0.2449, 0.005408]\n", + " PeriodicSite: S (15.41, 5.375, 9.745) [0.7585, 0.2646, 0.4798]\n", + " PeriodicSite: S (15.02, 15.23, 0.2456) [0.7394, 0.75, 0.0121]\n", + " PeriodicSite: S (15.53, 15.33, 10.2) [0.7645, 0.7545, 0.502]\n", + " PeriodicSite: S (8.961, 4.284, 8.501) [0.4412, 0.2109, 0.4185]\n", + " PeriodicSite: S (9.054, 3.505, 19.41) [0.4457, 0.1725, 0.9556]\n", + " PeriodicSite: S (8.958, 13.82, 9.39) [0.441, 0.6803, 0.4623]\n", + " PeriodicSite: S (8.697, 13.91, 18.98) [0.4281, 0.6846, 0.9343]\n", + " PeriodicSite: S (19.2, 3.666, 8.894) [0.9455, 0.1805, 0.4379]\n", + " PeriodicSite: S (18.91, 4.491, 18.82) [0.931, 0.2211, 0.9267]\n", + " PeriodicSite: S (19.24, 13.79, 9.039) [0.9474, 0.6787, 0.445]\n", + " PeriodicSite: S (18.85, 14.27, 19.02) [0.9281, 0.7026, 0.9363]\n", + " PeriodicSite: S (4.389, 1.542, 1.362) [0.2161, 0.07591, 0.06705]\n", + " PeriodicSite: S (4.051, 1.176, 11.08) [0.1994, 0.05788, 0.5453]\n", + " PeriodicSite: S (3.809, 11.27, 1.325) [0.1875, 0.5548, 0.06524]\n", + " PeriodicSite: S (4.134, 11.59, 11.47) [0.2035, 0.5704, 0.5648]\n", + " PeriodicSite: S (14.09, 1.059, 1.182) [0.6939, 0.05212, 0.05819]\n", + " PeriodicSite: S (14.5, 1.369, 11.32) [0.7138, 0.06739, 0.5573]\n", + " PeriodicSite: S (13.93, 11.51, 1.026) [0.6857, 0.5665, 0.05052]\n", + " PeriodicSite: S (13.99, 11.33, 11.4) [0.6889, 0.5578, 0.561]\n", + " PeriodicSite: S (6.566, 1.046, 8.938) [0.3233, 0.05148, 0.44]\n", + " PeriodicSite: S (6.394, 0.9356, 19.13) [0.3148, 0.04606, 0.9418]\n", + " PeriodicSite: S (7.003, 10.95, 9.424) [0.3447, 0.5392, 0.4639]\n", + " PeriodicSite: S (6.057, 11.28, 19.29) [0.2982, 0.5556, 0.9497]\n", + " PeriodicSite: S (16.84, 0.9852, 9.078) [0.8292, 0.04849, 0.4469]\n", + " PeriodicSite: S (16.36, 1.091, 19.01) [0.8052, 0.05371, 0.936]\n", + " PeriodicSite: S (16.42, 11.47, 9.355) [0.8083, 0.5649, 0.4606]\n", + " PeriodicSite: S (15.75, 11.45, 18.78) [0.7756, 0.5639, 0.9245]\n", + " PeriodicSite: S (1.111, 4.169, 0.8612) [0.05471, 0.2052, 0.0424]\n", + " PeriodicSite: S (1.154, 3.787, 11.32) [0.05684, 0.1865, 0.5571]\n", + " PeriodicSite: S (1.047, 14.01, 0.9004) [0.05155, 0.6899, 0.04433]\n", + " PeriodicSite: S (1.533, 13.95, 11.15) [0.07547, 0.6868, 0.5489]\n", + " PeriodicSite: S (11.27, 4.195, 1.494) [0.5546, 0.2065, 0.07354]\n", + " PeriodicSite: S (11.45, 4.049, 11.09) [0.5635, 0.1993, 0.5459]\n", + " PeriodicSite: S (11.52, 13.82, 0.8276) [0.567, 0.6802, 0.04075]\n", + " PeriodicSite: S (11.7, 13.49, 11.38) [0.5762, 0.6643, 0.56]\n", + " PeriodicSite: S (2.436, 2.591, 17.85) [0.1199, 0.1275, 0.8788]\n", + " PeriodicSite: S (2.723, 12.15, 7.439) [0.134, 0.5983, 0.3662]\n", + " PeriodicSite: S (13.04, 2.309, 7.592) [0.642, 0.1136, 0.3737]\n", + " PeriodicSite: S (9.096, 8.618, 4.165) [0.4478, 0.4243, 0.2051]\n", + " PeriodicSite: S (8.883, 8.881, 14.23) [0.4373, 0.4372, 0.7004]\n", + " PeriodicSite: S (9.118, 18.98, 4.213) [0.4489, 0.9345, 0.2074]\n", + " PeriodicSite: S (8.885, 19.39, 14.12) [0.4374, 0.9545, 0.695]\n", + " PeriodicSite: S (19.12, 8.604, 3.829) [0.9414, 0.4236, 0.1885]\n", + " PeriodicSite: S (19.46, 8.965, 14.06) [0.9579, 0.4413, 0.6922]\n", + " PeriodicSite: S (18.91, 19.19, 4.307) [0.931, 0.9447, 0.212]\n", + " PeriodicSite: S (19.17, 19.26, 14.34) [0.9436, 0.9484, 0.7059]\n", + " PeriodicSite: S (4.12, 6.129, 6.099) [0.2029, 0.3017, 0.3002]\n", + " PeriodicSite: S (3.761, 6.297, 16.12) [0.1852, 0.31, 0.7937]\n", + " PeriodicSite: S (4.259, 16.23, 6.48) [0.2097, 0.7989, 0.319]\n", + " PeriodicSite: S (3.507, 16.51, 16.86) [0.1726, 0.8127, 0.8299]\n", + " PeriodicSite: S (13.81, 6.174, 5.792) [0.6799, 0.304, 0.2851]\n", + " PeriodicSite: S (14.17, 6.35, 16.19) [0.6974, 0.3126, 0.7969]\n", + " PeriodicSite: S (13.77, 16.29, 6.45) [0.678, 0.8021, 0.3175]\n", + " PeriodicSite: S (13.98, 16.89, 16.13) [0.6884, 0.8316, 0.794]\n", + " PeriodicSite: S (6.369, 6.33, 3.561) [0.3135, 0.3116, 0.1753]\n", + " PeriodicSite: S (6.232, 6.084, 14.04) [0.3068, 0.2995, 0.6911]\n", + " PeriodicSite: S (6.606, 15.91, 4.212) [0.3252, 0.7831, 0.2074]\n", + " PeriodicSite: S (5.781, 16.66, 14.14) [0.2846, 0.8203, 0.6961]\n", + " PeriodicSite: S (16.57, 6.428, 3.741) [0.8158, 0.3164, 0.1842]\n", + " PeriodicSite: S (16.09, 6.253, 13.53) [0.7921, 0.3078, 0.6661]\n", + " PeriodicSite: S (16.28, 16.14, 4.036) [0.8013, 0.7946, 0.1987]\n", + " PeriodicSite: S (16.41, 16.76, 14.06) [0.8081, 0.8251, 0.6923]\n", + " PeriodicSite: S (0.9214, 8.503, 6.182) [0.04536, 0.4186, 0.3044]\n", + " PeriodicSite: S (1.382, 8.818, 16.35) [0.06806, 0.4341, 0.8051]\n", + " PeriodicSite: S (1.217, 19.18, 6.477) [0.05989, 0.9441, 0.3189]\n", + " PeriodicSite: S (1.344, 19.68, 16.6) [0.06617, 0.9689, 0.8174]\n", + " PeriodicSite: S (11.45, 9.121, 6.33) [0.5635, 0.449, 0.3117]\n", + " PeriodicSite: S (11.41, 8.95, 16.39) [0.5616, 0.4406, 0.807]\n", + " PeriodicSite: S (11.59, 19.58, 6.492) [0.5704, 0.9637, 0.3196]\n", + " PeriodicSite: S (11.67, 19.37, 16.1) [0.5743, 0.9535, 0.7926]\n", + " PeriodicSite: S (2.269, 17.65, 2.826) [0.1117, 0.8689, 0.1391]\n", + " PeriodicSite: S (2.336, 17.92, 12.97) [0.115, 0.8821, 0.6383]\n", + " PeriodicSite: S (12.51, 7.585, 12.65) [0.6158, 0.3734, 0.6226]\n", + " PeriodicSite: S (12.61, 17.82, 2.426) [0.6206, 0.8771, 0.1194]\n", + " PeriodicSite: S (4.015, 3.829, 4.1) [0.1977, 0.1885, 0.2018]\n", + " PeriodicSite: S (3.746, 3.703, 13.91) [0.1844, 0.1823, 0.6847]\n", + " PeriodicSite: S (3.954, 13.9, 4.08) [0.1946, 0.6844, 0.2009]\n", + " PeriodicSite: S (3.472, 14.29, 14.02) [0.1709, 0.7038, 0.6903]\n", + " PeriodicSite: S (14.28, 3.644, 3.676) [0.7033, 0.1794, 0.181]\n", + " PeriodicSite: S (13.79, 3.83, 13.97) [0.6788, 0.1886, 0.6876]\n", + " PeriodicSite: S (13.58, 14.2, 4.111) [0.6685, 0.6989, 0.2024]\n", + " PeriodicSite: S (13.88, 14.24, 13.93) [0.6832, 0.7011, 0.6859]\n", + " PeriodicSite: S (9.037, 1.211, 6.484) [0.4449, 0.05962, 0.3192]\n", + " PeriodicSite: S (9.432, 1.826, 15.97) [0.4644, 0.0899, 0.7864]\n", + " PeriodicSite: S (9.056, 11.48, 6.14) [0.4458, 0.5652, 0.3023]\n", + " PeriodicSite: S (8.676, 11.1, 16.84) [0.4271, 0.5463, 0.8289]\n", + " PeriodicSite: S (19.3, 1.283, 6.68) [0.9499, 0.06314, 0.3289]\n", + " PeriodicSite: S (18.94, 1.332, 16.8) [0.9326, 0.06557, 0.8272]\n", + " PeriodicSite: S (19.2, 11.28, 6.167) [0.9454, 0.5555, 0.3036]\n", + " PeriodicSite: S (19.37, 11.69, 16.07) [0.9535, 0.5756, 0.7912]\n", + " PeriodicSite: S (1.337, 0.914, 3.965) [0.0658, 0.04499, 0.1952]\n", + " PeriodicSite: S (1.043, 1.534, 14.35) [0.05136, 0.07552, 0.7066]\n", + " PeriodicSite: S (1.041, 11.0, 3.844) [0.05124, 0.5416, 0.1892]\n", + " PeriodicSite: S (1.703, 11.35, 14.04) [0.08382, 0.5589, 0.6914]\n", + " PeriodicSite: S (11.31, 1.324, 3.88) [0.5567, 0.06515, 0.191]\n", + " PeriodicSite: S (11.52, 1.249, 13.65) [0.567, 0.06147, 0.6718]\n", + " PeriodicSite: S (11.36, 11.05, 3.67) [0.5594, 0.5439, 0.1807]\n", + " PeriodicSite: S (10.95, 11.36, 14.17) [0.5392, 0.5595, 0.6977]\n", + " PeriodicSite: S (6.732, 3.876, 5.954) [0.3314, 0.1908, 0.2931]\n", + " PeriodicSite: S (6.192, 3.909, 16.36) [0.3048, 0.1924, 0.8052]\n", + " PeriodicSite: S (6.464, 13.56, 6.467) [0.3182, 0.6674, 0.3184]\n", + " PeriodicSite: S (5.759, 14.11, 16.32) [0.2835, 0.6947, 0.8034]\n", + " PeriodicSite: S (16.43, 4.169, 6.238) [0.8086, 0.2052, 0.3071]\n", + " PeriodicSite: S (16.43, 4.068, 16.13) [0.809, 0.2003, 0.7939]\n", + " PeriodicSite: S (16.16, 13.79, 6.319) [0.7956, 0.6788, 0.3111]\n", + " PeriodicSite: S (16.12, 14.37, 16.46) [0.7937, 0.7077, 0.8102]\n", + " PeriodicSite: S (7.785, 2.651, 12.58) [0.3832, 0.1305, 0.6192]\n", + " PeriodicSite: S (7.618, 12.45, 2.577) [0.3751, 0.6127, 0.1269]\n", + " PeriodicSite: S (17.86, 2.79, 2.224) [0.8794, 0.1373, 0.1095]\n", + " PeriodicSite: S (17.42, 12.92, 2.855) [0.8578, 0.6363, 0.1406]\n", + " PeriodicSite: S (17.44, 12.79, 12.61) [0.8584, 0.6297, 0.6206]\n", + " PeriodicSite: S (4.061, 9.271, 9.079) [0.1999, 0.4564, 0.447]\n", + " PeriodicSite: S (3.712, 8.746, 19.35) [0.1828, 0.4306, 0.9527]\n", + " PeriodicSite: S (3.968, 19.01, 9.005) [0.1953, 0.936, 0.4433]\n", + " PeriodicSite: S (3.601, 19.21, 19.47) [0.1773, 0.9455, 0.9588]\n", + " PeriodicSite: S (13.91, 9.071, 9.121) [0.6849, 0.4466, 0.449]\n", + " PeriodicSite: S (13.85, 8.917, 19.43) [0.6817, 0.439, 0.9564]\n", + " PeriodicSite: S (14.09, 19.16, 9.348) [0.6935, 0.9432, 0.4602]\n", + " PeriodicSite: S (14.05, 19.05, 19.13) [0.6919, 0.9376, 0.9418]\n", + " PeriodicSite: S (8.632, 6.127, 1.071) [0.4249, 0.3017, 0.05275]\n", + " PeriodicSite: S (8.784, 6.189, 11.15) [0.4325, 0.3047, 0.5491]\n", + " PeriodicSite: S (8.826, 16.2, 0.9185) [0.4345, 0.7975, 0.04522]\n", + " PeriodicSite: S (9.473, 16.08, 11.88) [0.4663, 0.7915, 0.585]\n", + " PeriodicSite: S (18.88, 6.227, 1.198) [0.9293, 0.3065, 0.059]\n", + " PeriodicSite: S (19.13, 6.13, 11.35) [0.9416, 0.3018, 0.5589]\n", + " PeriodicSite: S (18.91, 16.01, 1.578) [0.931, 0.7881, 0.07769]\n", + " PeriodicSite: S (19.53, 16.26, 11.27) [0.9616, 0.8003, 0.5546]\n", + " PeriodicSite: S (1.138, 6.114, 8.882) [0.05602, 0.301, 0.4373]\n", + " PeriodicSite: S (0.9463, 6.653, 19.1) [0.04659, 0.3275, 0.9402]\n", + " PeriodicSite: S (1.306, 16.29, 8.739) [0.06428, 0.8018, 0.4302]\n", + " PeriodicSite: S (0.5695, 17.02, 19.27) [0.02804, 0.8378, 0.9486]\n", + " PeriodicSite: S (11.23, 6.413, 8.71) [0.5528, 0.3157, 0.4288]\n", + " PeriodicSite: S (11.13, 5.98, 18.9) [0.5479, 0.2944, 0.9304]\n", + " PeriodicSite: S (11.42, 16.02, 9.166) [0.5621, 0.7888, 0.4512]\n", + " PeriodicSite: S (11.16, 16.25, 18.92) [0.5494, 0.8001, 0.9313]\n", + " PeriodicSite: S (6.176, 8.919, 1.301) [0.3041, 0.4391, 0.06406]\n", + " PeriodicSite: S (5.912, 8.874, 11.92) [0.2911, 0.4369, 0.587]\n", + " PeriodicSite: S (6.313, 19.04, 0.9265) [0.3108, 0.9371, 0.04561]\n", + " PeriodicSite: S (6.372, 18.95, 11.39) [0.3137, 0.9328, 0.5607]\n", + " PeriodicSite: S (16.58, 9.445, 1.041) [0.8164, 0.465, 0.05127]\n", + " PeriodicSite: S (16.4, 8.977, 11.59) [0.8076, 0.4419, 0.5705]\n", + " PeriodicSite: S (16.38, 19.08, 1.122) [0.8063, 0.9392, 0.05525]\n", + " PeriodicSite: S (16.83, 19.18, 11.58) [0.8284, 0.9441, 0.57]\n", + " PeriodicSite: S (7.433, 7.527, 17.83) [0.3659, 0.3706, 0.8776]\n", + " PeriodicSite: S (7.45, 17.7, 7.637) [0.3668, 0.8715, 0.376]\n", + " PeriodicSite: S (17.63, 7.741, 7.696) [0.868, 0.3811, 0.3789]\n", + " PeriodicSite: S (17.65, 17.4, 7.723) [0.8687, 0.8567, 0.3802]\n", + " PeriodicSite: P (5.046, 0.04112, 0.111) [0.2484, 0.002022, 0.005468]\n", + " PeriodicSite: P (5.216, 20.14, 10.17) [0.2568, 0.9917, 0.5009]\n", + " PeriodicSite: P (4.954, 10.04, 0.06475) [0.2439, 0.4942, 0.00319]\n", + " PeriodicSite: P (5.286, 10.22, 10.43) [0.2602, 0.5032, 0.5133]\n", + " PeriodicSite: P (15.22, 20.28, 20.28) [0.7494, 0.9984, 0.9984]\n", + " PeriodicSite: P (15.6, 20.28, 10.36) [0.7678, 0.9986, 0.5101]\n", + " PeriodicSite: P (15.09, 10.29, 20.22) [0.7428, 0.5066, 0.9955]\n", + " PeriodicSite: P (15.21, 10.2, 10.25) [0.7486, 0.5024, 0.5046]\n", + " PeriodicSite: P (5.36, 5.097, 4.846) [0.2639, 0.2509, 0.2386]\n", + " PeriodicSite: P (4.92, 4.932, 15.16) [0.2422, 0.2428, 0.7464]\n", + " PeriodicSite: P (5.28, 14.85, 5.357) [0.2599, 0.7309, 0.2637]\n", + " PeriodicSite: P (4.565, 15.41, 15.34) [0.2248, 0.7587, 0.7551]\n", + " PeriodicSite: P (15.35, 5.059, 4.66) [0.7556, 0.2491, 0.2294]\n", + " PeriodicSite: P (15.05, 5.029, 14.92) [0.7408, 0.2476, 0.7345]\n", + " PeriodicSite: P (15.01, 15.18, 5.264) [0.7392, 0.7474, 0.2591]\n", + " PeriodicSite: P (15.13, 15.56, 15.07) [0.745, 0.7661, 0.7419]\n", + " PeriodicSite: P (0.009688, 0.1145, 5.469) [0.0004784, 0.005635, 0.2692]\n", + " PeriodicSite: P (20.21, 0.3676, 15.49) [0.9951, 0.01809, 0.7626]\n", + " PeriodicSite: P (20.11, 9.93, 5.048) [0.99, 0.4889, 0.2485]\n", + " PeriodicSite: P (0.2521, 10.24, 15.19) [0.01241, 0.5041, 0.7478]\n", + " PeriodicSite: P (10.32, 0.1441, 5.095) [0.5083, 0.00709, 0.2508]\n", + " PeriodicSite: P (10.33, 0.2644, 15.01) [0.5085, 0.01301, 0.7388]\n", + " PeriodicSite: P (10.22, 10.16, 5.157) [0.5032, 0.5003, 0.2539]\n", + " PeriodicSite: P (9.949, 10.11, 15.52) [0.4898, 0.4977, 0.764]\n", + " PeriodicSite: P (20.11, 5.299, 20.1) [0.9899, 0.2609, 0.9897]\n", + " PeriodicSite: P (20.3, 4.937, 10.16) [0.9993, 0.2431, 0.5]\n", + " PeriodicSite: P (20.03, 15.42, 0.002593) [0.9861, 0.7593, 0.0001344]\n", + " PeriodicSite: P (0.2146, 15.04, 9.927) [0.01056, 0.7404, 0.4887]\n", + " PeriodicSite: P (10.01, 4.975, 0.08407) [0.4928, 0.2449, 0.004142]\n", + " PeriodicSite: P (10.17, 5.108, 9.967) [0.5005, 0.2515, 0.4907]\n", + " PeriodicSite: P (10.15, 14.99, 20.01) [0.4998, 0.7381, 0.9853]\n", + " PeriodicSite: P (10.41, 14.86, 10.48) [0.5124, 0.7317, 0.5158],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.906, 6.762, 4.904) [0.09381, 0.3329, 0.2414]\n", + " PeriodicSite: Li (19.93, 2.604, 13.1) [0.9811, 0.1282, 0.6448]\n", + " PeriodicSite: Li (0.1758, 12.18, 7.622) [0.008651, 0.5995, 0.3752]\n", + " PeriodicSite: Li (1.363, 13.57, 15.48) [0.06708, 0.6681, 0.7621]\n", + " PeriodicSite: Li (14.86, 0.5568, 7.511) [0.7316, 0.02741, 0.3698]\n", + " PeriodicSite: Li (11.71, 3.161, 15.08) [0.5763, 0.1556, 0.7425]\n", + " PeriodicSite: Li (13.52, 11.76, 4.991) [0.6655, 0.5789, 0.2457]\n", + " PeriodicSite: Li (15.68, 7.805, 15.46) [0.7718, 0.3842, 0.7611]\n", + " PeriodicSite: Li (4.289, 4.292, 8.217) [0.2112, 0.2113, 0.4045]\n", + " PeriodicSite: Li (3.092, 3.04, 20.3) [0.1522, 0.1497, 0.9994]\n", + " PeriodicSite: Li (4.704, 8.087, 3.893) [0.2316, 0.3982, 0.1916]\n", + " PeriodicSite: Li (6.894, 9.874, 17.11) [0.3394, 0.4861, 0.8425]\n", + " PeriodicSite: Li (12.04, 4.186, 5.489) [0.5929, 0.2061, 0.2702]\n", + " PeriodicSite: Li (13.79, 0.236, 16.82) [0.6789, 0.01161, 0.8283]\n", + " PeriodicSite: Li (10.87, 8.987, 12.57) [0.5353, 0.4425, 0.6189]\n", + " PeriodicSite: Li (8.077, 19.06, 19.63) [0.3976, 0.9381, 0.9662]\n", + " PeriodicSite: Li (6.494, 1.498, 6.696) [0.3197, 0.07373, 0.3296]\n", + " PeriodicSite: Li (4.211, 20.24, 13.25) [0.2073, 0.9963, 0.6522]\n", + " PeriodicSite: Li (2.903, 10.4, 5.792) [0.1429, 0.512, 0.2852]\n", + " PeriodicSite: Li (6.926, 10.26, 13.47) [0.341, 0.5053, 0.6632]\n", + " PeriodicSite: Li (12.95, 2.183, 10.01) [0.6377, 0.1075, 0.4926]\n", + " PeriodicSite: Li (10.91, 1.63, 18.15) [0.5371, 0.08025, 0.8934]\n", + " PeriodicSite: Li (14.04, 14.53, 8.293) [0.6911, 0.7156, 0.4083]\n", + " PeriodicSite: Li (12.14, 9.859, 1.461) [0.5977, 0.4854, 0.07195]\n", + " PeriodicSite: Li (0.633, 4.549, 7.448) [0.03116, 0.224, 0.3667]\n", + " PeriodicSite: Li (0.2554, 3.201, 17.34) [0.01258, 0.1576, 0.8536]\n", + " PeriodicSite: Li (1.975, 12.73, 4.891) [0.09722, 0.6268, 0.2408]\n", + " PeriodicSite: Li (2.535, 15.6, 20.06) [0.1248, 0.7679, 0.9875]\n", + " PeriodicSite: Li (13.58, 1.661, 5.443) [0.6685, 0.08178, 0.268]\n", + " PeriodicSite: Li (16.69, 1.632, 16.63) [0.8218, 0.08035, 0.8188]\n", + " PeriodicSite: Li (12.1, 11.55, 10.1) [0.5959, 0.5688, 0.4971]\n", + " PeriodicSite: Li (17.16, 17.23, 20.22) [0.8448, 0.8484, 0.9956]\n", + " PeriodicSite: Li (5.573, 2.213, 3.928) [0.2744, 0.109, 0.1934]\n", + " PeriodicSite: Li (0.1743, 16.97, 3.264) [0.008573, 0.8353, 0.1607]\n", + " PeriodicSite: Li (3.693, 14.47, 8.167) [0.1818, 0.7121, 0.402]\n", + " PeriodicSite: Li (0.8549, 17.57, 15.04) [0.04208, 0.8648, 0.7403]\n", + " PeriodicSite: Li (15.23, 3.026, 8.847) [0.7498, 0.1489, 0.4356]\n", + " PeriodicSite: Li (13.12, 5.167, 18.41) [0.6461, 0.2544, 0.9062]\n", + " PeriodicSite: Li (17.03, 15.38, 8.059) [0.8384, 0.7573, 0.3968]\n", + " PeriodicSite: Li (10.57, 12.14, 18.53) [0.5204, 0.5975, 0.9122]\n", + " PeriodicSite: Li (3.047, 3.006, 5.235) [0.15, 0.148, 0.2577]\n", + " PeriodicSite: Li (1.367, 0.6967, 18.68) [0.06729, 0.0343, 0.9198]\n", + " PeriodicSite: Li (4.651, 11.82, 7.388) [0.229, 0.5818, 0.3637]\n", + " PeriodicSite: Li (17.93, 14.68, 4.808) [0.8827, 0.7229, 0.2367]\n", + " PeriodicSite: Li (11.51, 1.008, 7.421) [0.5669, 0.04961, 0.3654]\n", + " PeriodicSite: Li (17.32, 0.157, 13.9) [0.8527, 0.007723, 0.6845]\n", + " PeriodicSite: Li (13.8, 10.22, 6.936) [0.6793, 0.5033, 0.3414]\n", + " PeriodicSite: Li (14.26, 9.656, 17.24) [0.7022, 0.4753, 0.8489]\n", + " PeriodicSite: Li (4.119, 12.3, 15.45) [0.2028, 0.6054, 0.7607]\n", + " PeriodicSite: Li (2.089, 10.81, 9.39) [0.1028, 0.5322, 0.4623]\n", + " PeriodicSite: Li (2.268, 17.09, 4.859) [0.1117, 0.8412, 0.2392]\n", + " PeriodicSite: Li (0.3225, 1.765, 8.174) [0.01588, 0.0869, 0.4024]\n", + " PeriodicSite: Li (12.96, 5.672, 1.112) [0.6382, 0.2792, 0.05476]\n", + " PeriodicSite: Li (12.32, 7.238, 14.88) [0.6064, 0.3563, 0.7326]\n", + " PeriodicSite: Li (10.78, 13.08, 6.454) [0.5305, 0.6441, 0.3177]\n", + " PeriodicSite: Li (12.99, 19.12, 14.62) [0.6395, 0.9413, 0.7196]\n", + " PeriodicSite: Li (2.264, 6.116, 0.5716) [0.1115, 0.3011, 0.02814]\n", + " PeriodicSite: Li (3.385, 4.722, 11.73) [0.1666, 0.2325, 0.5772]\n", + " PeriodicSite: Li (6.91, 15.89, 19.73) [0.3402, 0.7821, 0.9715]\n", + " PeriodicSite: Li (3.763, 18.49, 15.09) [0.1852, 0.9105, 0.7427]\n", + " PeriodicSite: Li (13.03, 3.191, 20.24) [0.6414, 0.1571, 0.9963]\n", + " PeriodicSite: Li (11.07, 5.786, 12.52) [0.545, 0.2849, 0.6166]\n", + " PeriodicSite: Li (12.06, 15.78, 3.875) [0.5937, 0.777, 0.1908]\n", + " PeriodicSite: Li (10.62, 17.34, 13.42) [0.5226, 0.8539, 0.6605]\n", + " PeriodicSite: Li (3.5, 10.21, 17.34) [0.1723, 0.5029, 0.8539]\n", + " PeriodicSite: Li (4.14, 7.217, 10.55) [0.2038, 0.3553, 0.5194]\n", + " PeriodicSite: Li (4.192, 17.76, 1.068) [0.2063, 0.8743, 0.05256]\n", + " PeriodicSite: Li (1.994, 18.48, 10.42) [0.09814, 0.9097, 0.513]\n", + " PeriodicSite: Li (10.35, 6.591, 3.074) [0.5095, 0.3245, 0.1513]\n", + " PeriodicSite: Li (13.81, 5.739, 11.77) [0.6798, 0.2825, 0.5797]\n", + " PeriodicSite: Li (10.46, 18.1, 2.894) [0.5151, 0.891, 0.1425]\n", + " PeriodicSite: Li (13.01, 15.77, 11.34) [0.6407, 0.7762, 0.5585]\n", + " PeriodicSite: Li (1.917, 9.393, 1.076) [0.09437, 0.4624, 0.05298]\n", + " PeriodicSite: Li (17.31, 5.422, 8.142) [0.852, 0.2669, 0.4008]\n", + " PeriodicSite: Li (2.799, 19.97, 3.895) [0.1378, 0.9833, 0.1918]\n", + " PeriodicSite: Li (1.034, 19.89, 12.66) [0.05089, 0.9792, 0.6232]\n", + " PeriodicSite: Li (9.803, 7.162, 6.487) [0.4826, 0.3526, 0.3193]\n", + " PeriodicSite: Li (13.09, 11.33, 15.57) [0.6443, 0.5576, 0.7663]\n", + " PeriodicSite: Li (14.86, 17.09, 2.296) [0.7316, 0.8415, 0.113]\n", + " PeriodicSite: Li (12.17, 14.93, 16.73) [0.5991, 0.7351, 0.8235]\n", + " PeriodicSite: Li (7.672, 9.377, 5.909) [0.3777, 0.4617, 0.2909]\n", + " PeriodicSite: Li (19.87, 12.89, 12.56) [0.9783, 0.6346, 0.6184]\n", + " PeriodicSite: Li (20.08, 16.88, 7.297) [0.9884, 0.831, 0.3593]\n", + " PeriodicSite: Li (6.931, 18.56, 15.7) [0.3412, 0.914, 0.7728]\n", + " PeriodicSite: Li (15.76, 10.71, 2.715) [0.7757, 0.5274, 0.1337]\n", + " PeriodicSite: Li (12.55, 8.414, 10.32) [0.618, 0.4142, 0.5081]\n", + " PeriodicSite: Li (13.26, 15.91, 0.7551) [0.6528, 0.7834, 0.03718]\n", + " PeriodicSite: Li (11.65, 18.53, 10.29) [0.5735, 0.9123, 0.5064]\n", + " PeriodicSite: Li (4.936, 2.656, 18.18) [0.243, 0.1308, 0.8951]\n", + " PeriodicSite: Li (3.521, 9.745, 13.56) [0.1734, 0.4797, 0.6676]\n", + " PeriodicSite: Li (6.84, 0.1329, 3.056) [0.3367, 0.006538, 0.1505]\n", + " PeriodicSite: Li (1.178, 15.89, 12.88) [0.058, 0.7825, 0.6343]\n", + " PeriodicSite: Li (13.57, 8.637, 4.392) [0.6679, 0.4252, 0.2162]\n", + " PeriodicSite: Li (14.53, 9.017, 13.15) [0.7153, 0.4439, 0.6475]\n", + " PeriodicSite: Li (13.22, 18.4, 5.069) [0.6511, 0.9061, 0.2495]\n", + " PeriodicSite: Li (18.23, 5.497, 14.36) [0.8976, 0.2706, 0.7068]\n", + " PeriodicSite: Li (9.291, 2.077, 0.4442) [0.4574, 0.1023, 0.02187]\n", + " PeriodicSite: Li (10.02, 2.849, 11.83) [0.4933, 0.1403, 0.5825]\n", + " PeriodicSite: Li (6.668, 12.28, 4.722) [0.3283, 0.6043, 0.2325]\n", + " PeriodicSite: Li (7.485, 12.58, 15.49) [0.3685, 0.6195, 0.7625]\n", + " PeriodicSite: Li (18.1, 4.983, 4.185) [0.8909, 0.2453, 0.206]\n", + " PeriodicSite: Li (13.26, 4.976, 8.264) [0.6528, 0.245, 0.4068]\n", + " PeriodicSite: Li (19.48, 13.9, 2.367) [0.9589, 0.6841, 0.1166]\n", + " PeriodicSite: Li (17.31, 10.68, 14.2) [0.8523, 0.5258, 0.6989]\n", + " PeriodicSite: Li (7.138, 19.02, 5.849) [0.3514, 0.9363, 0.288]\n", + " PeriodicSite: Li (8.002, 3.776, 14.52) [0.3939, 0.1859, 0.7148]\n", + " PeriodicSite: Li (4.666, 13.98, 18.65) [0.2297, 0.6882, 0.9182]\n", + " PeriodicSite: Li (10.39, 13.55, 13.8) [0.5113, 0.6671, 0.6792]\n", + " PeriodicSite: Li (14.29, 0.007545, 3.011) [0.7036, 0.0003651, 0.1482]\n", + " PeriodicSite: Li (18.81, 1.396, 10.44) [0.9262, 0.0687, 0.5139]\n", + " PeriodicSite: Li (17.06, 13.41, 0.2929) [0.8399, 0.6602, 0.01443]\n", + " PeriodicSite: Li (17.81, 14.42, 10.94) [0.8767, 0.7097, 0.5387]\n", + " PeriodicSite: Li (8.428, 3.955, 4.776) [0.4149, 0.1947, 0.2351]\n", + " PeriodicSite: Li (8.034, 0.2653, 11.37) [0.3955, 0.01306, 0.5599]\n", + " PeriodicSite: Li (9.531, 12.92, 2.851) [0.4692, 0.6363, 0.1403]\n", + " PeriodicSite: Li (3.67, 14.01, 11.43) [0.1807, 0.6895, 0.5627]\n", + " PeriodicSite: Li (19.95, 2.789, 2.423) [0.9821, 0.1373, 0.1193]\n", + " PeriodicSite: Li (0.4184, 8.762, 11.92) [0.0206, 0.4314, 0.5869]\n", + " PeriodicSite: Li (15.66, 13.91, 2.205) [0.7709, 0.6847, 0.1086]\n", + " PeriodicSite: Li (15.7, 12.85, 14.84) [0.7728, 0.6324, 0.7306]\n", + " PeriodicSite: Li (4.277, 19.14, 6.658) [0.2106, 0.9423, 0.3278]\n", + " PeriodicSite: Li (7.177, 1.054, 15.0) [0.3533, 0.0519, 0.7384]\n", + " PeriodicSite: Li (5.092, 12.97, 1.734) [0.2507, 0.6384, 0.08537]\n", + " PeriodicSite: Li (9.043, 6.848, 15.48) [0.4452, 0.3371, 0.7622]\n", + " PeriodicSite: Li (16.56, 5.439, 1.388) [0.8153, 0.2678, 0.06833]\n", + " PeriodicSite: Li (15.26, 16.75, 12.4) [0.7512, 0.8246, 0.6103]\n", + " PeriodicSite: Li (14.27, 13.31, 19.63) [0.7024, 0.6555, 0.9664]\n", + " PeriodicSite: Li (18.11, 10.98, 10.9) [0.8915, 0.5407, 0.5365]\n", + " PeriodicSite: Li (7.75, 8.166, 19.96) [0.3816, 0.402, 0.9824]\n", + " PeriodicSite: Li (5.344, 2.535, 12.52) [0.2631, 0.1248, 0.6162]\n", + " PeriodicSite: Li (8.346, 10.23, 1.867) [0.4109, 0.5039, 0.09194]\n", + " PeriodicSite: Li (9.146, 11.87, 11.46) [0.4502, 0.5846, 0.5643]\n", + " PeriodicSite: Li (15.31, 3.029, 1.977) [0.7536, 0.1491, 0.09732]\n", + " PeriodicSite: Li (16.5, 4.658, 11.46) [0.8122, 0.2293, 0.5642]\n", + " PeriodicSite: Li (1.31, 12.12, 19.16) [0.06447, 0.5967, 0.9433]\n", + " PeriodicSite: Li (17.98, 14.7, 14.0) [0.8852, 0.7235, 0.6893]\n", + " PeriodicSite: Li (6.015, 2.878, 0.3367) [0.2961, 0.1417, 0.01658]\n", + " PeriodicSite: Li (7.015, 2.937, 10.12) [0.3453, 0.1446, 0.4983]\n", + " PeriodicSite: Li (7.141, 14.98, 2.229) [0.3516, 0.7373, 0.1097]\n", + " PeriodicSite: Li (4.646, 17.04, 12.18) [0.2287, 0.8387, 0.5997]\n", + " PeriodicSite: Li (18.27, 2.032, 0.4091) [0.8995, 0.1, 0.02015]\n", + " PeriodicSite: Li (1.864, 7.048, 15.06) [0.09178, 0.347, 0.7414]\n", + " PeriodicSite: Li (6.328, 13.63, 9.56) [0.3115, 0.6711, 0.4706]\n", + " PeriodicSite: Li (15.62, 13.27, 11.76) [0.7688, 0.6533, 0.5792]\n", + " PeriodicSite: Li (17.08, 11.89, 5.034) [0.8408, 0.5855, 0.2478]\n", + " PeriodicSite: Li (5.682, 7.967, 15.59) [0.2797, 0.3922, 0.7673]\n", + " PeriodicSite: Li (7.004, 14.73, 12.57) [0.3448, 0.7254, 0.6187]\n", + " PeriodicSite: Li (1.108, 18.82, 1.001) [0.05456, 0.9263, 0.04929]\n", + " PeriodicSite: Li (16.51, 9.756, 7.432) [0.8127, 0.4803, 0.3659]\n", + " PeriodicSite: Li (3.208, 4.955, 18.57) [0.1579, 0.2439, 0.9142]\n", + " PeriodicSite: Li (16.39, 1.859, 4.791) [0.8069, 0.09151, 0.2359]\n", + " PeriodicSite: Li (18.37, 20.0, 18.45) [0.9042, 0.9847, 0.9083]\n", + " PeriodicSite: Li (5.332, 8.117, 7.288) [0.2625, 0.3996, 0.3588]\n", + " PeriodicSite: Li (6.714, 5.21, 18.44) [0.3305, 0.2565, 0.9077]\n", + " PeriodicSite: Li (8.448, 19.53, 8.338) [0.4159, 0.9615, 0.4105]\n", + " PeriodicSite: Li (9.075, 15.8, 17.27) [0.4468, 0.7781, 0.8502]\n", + " PeriodicSite: Li (17.0, 7.272, 9.929) [0.8371, 0.358, 0.4888]\n", + " PeriodicSite: Li (18.84, 8.101, 19.32) [0.9275, 0.3988, 0.9513]\n", + " PeriodicSite: Li (17.89, 19.81, 7.402) [0.8808, 0.9754, 0.3644]\n", + " PeriodicSite: Li (18.45, 15.68, 17.18) [0.9082, 0.7721, 0.8457]\n", + " PeriodicSite: Li (7.235, 5.595, 8.723) [0.3562, 0.2754, 0.4294]\n", + " PeriodicSite: Li (3.183, 2.067, 15.47) [0.1567, 0.1018, 0.7615]\n", + " PeriodicSite: Li (7.768, 16.13, 9.714) [0.3824, 0.7943, 0.4782]\n", + " PeriodicSite: Li (17.27, 10.5, 17.22) [0.8503, 0.5169, 0.8477]\n", + " PeriodicSite: Li (19.7, 8.233, 8.589) [0.97, 0.4053, 0.4229]\n", + " PeriodicSite: Li (16.48, 4.543, 18.49) [0.8114, 0.2237, 0.9104]\n", + " PeriodicSite: Li (15.34, 17.55, 8.66) [0.7553, 0.8642, 0.4263]\n", + " PeriodicSite: Li (15.17, 16.62, 18.37) [0.7467, 0.8182, 0.9046]\n", + " PeriodicSite: Li (8.144, 8.809, 9.947) [0.4009, 0.4337, 0.4897]\n", + " PeriodicSite: Li (6.19, 5.989, 1.733) [0.3047, 0.2949, 0.08534]\n", + " PeriodicSite: Li (5.799, 17.34, 8.578) [0.2855, 0.8538, 0.4223]\n", + " PeriodicSite: Li (7.777, 12.67, 0.008942) [0.3829, 0.624, 0.0004434]\n", + " PeriodicSite: Li (15.33, 6.76, 7.942) [0.7547, 0.3328, 0.391]\n", + " PeriodicSite: Li (19.8, 7.557, 16.82) [0.9749, 0.372, 0.828]\n", + " PeriodicSite: Li (16.49, 17.81, 5.643) [0.8116, 0.8769, 0.2778]\n", + " PeriodicSite: Li (16.76, 18.46, 16.01) [0.8251, 0.9086, 0.7883]\n", + " PeriodicSite: Li (7.056, 5.083, 12.04) [0.3474, 0.2503, 0.5929]\n", + " PeriodicSite: Li (5.047, 7.173, 18.47) [0.2485, 0.3532, 0.9095]\n", + " PeriodicSite: Li (10.1, 17.06, 6.358) [0.4974, 0.8397, 0.313]\n", + " PeriodicSite: Li (11.98, 18.94, 0.409) [0.5899, 0.9326, 0.02014]\n", + " PeriodicSite: Li (16.97, 8.284, 4.767) [0.8356, 0.4078, 0.2347]\n", + " PeriodicSite: Li (15.33, 7.445, 19.72) [0.7547, 0.3665, 0.9709]\n", + " PeriodicSite: Li (17.58, 17.56, 10.23) [0.8656, 0.8647, 0.5039]\n", + " PeriodicSite: Li (17.87, 0.05629, 2.759) [0.88, 0.002763, 0.1358]\n", + " PeriodicSite: Li (5.337, 10.66, 3.126) [0.2627, 0.5246, 0.1539]\n", + " PeriodicSite: Li (9.591, 8.03, 18.17) [0.4722, 0.3953, 0.8946]\n", + " PeriodicSite: Li (7.74, 15.78, 6.086) [0.381, 0.7769, 0.2996]\n", + " PeriodicSite: Li (4.51, 19.96, 17.49) [0.222, 0.9826, 0.861]\n", + " PeriodicSite: Li (19.43, 7.352, 6.134) [0.9568, 0.3619, 0.302]\n", + " PeriodicSite: Li (18.5, 10.04, 1.343) [0.9107, 0.4945, 0.06615]\n", + " PeriodicSite: Li (3.371, 15.0, 2.224) [0.166, 0.7385, 0.1095]\n", + " PeriodicSite: Li (14.35, 1.501, 13.98) [0.7063, 0.0739, 0.6882]\n", + " PeriodicSite: Cl (7.675, 12.45, 13.19) [0.3779, 0.6129, 0.6493]\n", + " PeriodicSite: Cl (2.703, 12.72, 17.52) [0.1331, 0.6261, 0.8626]\n", + " PeriodicSite: Cl (12.89, 17.79, 12.62) [0.6347, 0.8759, 0.6212]\n", + " PeriodicSite: Cl (17.23, 8.067, 17.6) [0.848, 0.3971, 0.8666]\n", + " PeriodicSite: Cl (7.982, 2.31, 2.558) [0.3929, 0.1137, 0.1259]\n", + " PeriodicSite: Cl (7.59, 7.776, 7.769) [0.3737, 0.3828, 0.3825]\n", + " PeriodicSite: Cl (12.36, 12.25, 7.566) [0.6085, 0.603, 0.3725]\n", + " PeriodicSite: Cl (2.963, 7.286, 2.445) [0.1459, 0.3587, 0.1203]\n", + " PeriodicSite: Cl (2.341, 7.846, 12.83) [0.1152, 0.3863, 0.6318]\n", + " PeriodicSite: Cl (12.46, 12.6, 17.47) [0.6132, 0.6204, 0.8601]\n", + " PeriodicSite: Cl (17.58, 17.77, 17.93) [0.8656, 0.8749, 0.883]\n", + " PeriodicSite: Cl (2.465, 2.777, 7.492) [0.1213, 0.1367, 0.3688]\n", + " PeriodicSite: Cl (12.59, 2.889, 17.82) [0.62, 0.1422, 0.8773]\n", + " PeriodicSite: Cl (12.45, 7.749, 2.589) [0.613, 0.3815, 0.1274]\n", + " PeriodicSite: Cl (17.81, 2.695, 12.68) [0.877, 0.1326, 0.6243]\n", + " PeriodicSite: Cl (7.021, 17.54, 17.85) [0.3457, 0.8633, 0.879]\n", + " PeriodicSite: Cl (19.89, 0.1585, 20.18) [0.9793, 0.007797, 0.9937]\n", + " PeriodicSite: Cl (0.07038, 20.14, 10.33) [0.003458, 0.9915, 0.5088]\n", + " PeriodicSite: Cl (0.01694, 10.18, 20.1) [0.0008346, 0.5011, 0.9897]\n", + " PeriodicSite: Cl (20.24, 10.11, 10.01) [0.9965, 0.4975, 0.4928]\n", + " PeriodicSite: Cl (10.08, 0.1413, 19.77) [0.4961, 0.006952, 0.9733]\n", + " PeriodicSite: Cl (10.14, 0.004533, 9.804) [0.4992, 0.0002193, 0.4827]\n", + " PeriodicSite: Cl (9.582, 9.943, 20.18) [0.4717, 0.4895, 0.9934]\n", + " PeriodicSite: Cl (10.41, 9.988, 10.26) [0.5123, 0.4917, 0.5052]\n", + " PeriodicSite: Cl (20.07, 5.346, 5.485) [0.9882, 0.2632, 0.2701]\n", + " PeriodicSite: Cl (20.0, 5.594, 15.67) [0.9848, 0.2754, 0.7712]\n", + " PeriodicSite: Cl (0.02477, 15.07, 4.823) [0.001214, 0.7417, 0.2375]\n", + " PeriodicSite: Cl (20.02, 15.45, 14.86) [0.9857, 0.7604, 0.7316]\n", + " PeriodicSite: Cl (10.33, 5.062, 4.832) [0.5088, 0.2492, 0.2379]\n", + " PeriodicSite: Cl (10.47, 5.216, 14.86) [0.5153, 0.2568, 0.7317]\n", + " PeriodicSite: Cl (10.2, 15.22, 5.034) [0.5019, 0.7491, 0.2478]\n", + " PeriodicSite: Cl (10.46, 15.21, 15.31) [0.515, 0.7486, 0.7539]\n", + " PeriodicSite: S (5.173, 0.1839, 5.222) [0.2547, 0.00905, 0.2571]\n", + " PeriodicSite: S (5.206, 0.03052, 15.16) [0.2563, 0.001501, 0.7466]\n", + " PeriodicSite: S (5.107, 9.926, 5.463) [0.2514, 0.4887, 0.2689]\n", + " PeriodicSite: S (5.169, 10.18, 15.37) [0.2545, 0.5013, 0.7568]\n", + " PeriodicSite: S (15.28, 20.23, 5.285) [0.7521, 0.9958, 0.2602]\n", + " PeriodicSite: S (15.54, 20.3, 15.18) [0.7652, 0.9994, 0.7475]\n", + " PeriodicSite: S (15.35, 10.07, 5.253) [0.7556, 0.4958, 0.2586]\n", + " PeriodicSite: S (15.27, 10.15, 15.16) [0.7519, 0.4997, 0.7464]\n", + " PeriodicSite: S (5.025, 5.004, 19.96) [0.2474, 0.2464, 0.9828]\n", + " PeriodicSite: S (5.39, 5.071, 10.29) [0.2654, 0.2497, 0.5068]\n", + " PeriodicSite: S (4.913, 15.22, 0.31) [0.2419, 0.7491, 0.01526]\n", + " PeriodicSite: S (5.757, 15.57, 10.5) [0.2834, 0.7664, 0.5169]\n", + " PeriodicSite: S (14.85, 4.872, 20.2) [0.731, 0.2399, 0.9947]\n", + " PeriodicSite: S (15.24, 5.254, 9.694) [0.7504, 0.2586, 0.4772]\n", + " PeriodicSite: S (15.25, 15.3, 0.319) [0.7507, 0.7532, 0.01571]\n", + " PeriodicSite: S (15.39, 15.51, 10.3) [0.7577, 0.7634, 0.5073]\n", + " PeriodicSite: S (8.985, 4.064, 8.795) [0.4424, 0.2001, 0.433]\n", + " PeriodicSite: S (8.696, 3.888, 19.15) [0.4281, 0.1914, 0.9426]\n", + " PeriodicSite: S (8.971, 13.87, 9.5) [0.4416, 0.6826, 0.4677]\n", + " PeriodicSite: S (8.726, 14.22, 18.78) [0.4296, 0.7001, 0.9247]\n", + " PeriodicSite: S (19.1, 3.784, 8.872) [0.9402, 0.1863, 0.4368]\n", + " PeriodicSite: S (18.76, 3.864, 19.26) [0.9237, 0.1902, 0.9484]\n", + " PeriodicSite: S (19.27, 14.09, 8.684) [0.9489, 0.6938, 0.4275]\n", + " PeriodicSite: S (19.05, 14.09, 19.17) [0.9377, 0.6938, 0.9435]\n", + " PeriodicSite: S (4.413, 1.256, 1.632) [0.2172, 0.06184, 0.08033]\n", + " PeriodicSite: S (3.618, 1.154, 11.25) [0.1781, 0.05684, 0.5537]\n", + " PeriodicSite: S (3.779, 11.14, 1.309) [0.186, 0.5482, 0.06446]\n", + " PeriodicSite: S (4.344, 11.42, 11.62) [0.2139, 0.5621, 0.5722]\n", + " PeriodicSite: S (13.65, 0.9429, 0.7305) [0.6722, 0.04641, 0.03597]\n", + " PeriodicSite: S (14.71, 1.78, 11.52) [0.724, 0.08764, 0.5673]\n", + " PeriodicSite: S (14.05, 11.5, 1.394) [0.6918, 0.5662, 0.06863]\n", + " PeriodicSite: S (13.86, 11.07, 11.6) [0.6824, 0.545, 0.5709]\n", + " PeriodicSite: S (6.492, 0.64, 9.191) [0.3196, 0.03151, 0.4525]\n", + " PeriodicSite: S (6.137, 0.8694, 19.0) [0.3021, 0.0428, 0.9353]\n", + " PeriodicSite: S (6.525, 11.36, 9.08) [0.3212, 0.5595, 0.447]\n", + " PeriodicSite: S (5.623, 11.37, 19.0) [0.2768, 0.5597, 0.9356]\n", + " PeriodicSite: S (16.74, 1.071, 9.131) [0.8243, 0.05271, 0.4495]\n", + " PeriodicSite: S (16.4, 1.025, 19.14) [0.8073, 0.05047, 0.9422]\n", + " PeriodicSite: S (16.37, 11.57, 9.303) [0.8059, 0.5696, 0.458]\n", + " PeriodicSite: S (15.86, 11.66, 18.84) [0.7809, 0.5739, 0.9276]\n", + " PeriodicSite: S (0.9776, 4.115, 1.037) [0.04813, 0.2026, 0.05107]\n", + " PeriodicSite: S (0.8407, 3.576, 11.3) [0.04139, 0.176, 0.5564]\n", + " PeriodicSite: S (1.125, 14.04, 1.165) [0.05539, 0.6912, 0.05737]\n", + " PeriodicSite: S (1.187, 13.84, 11.45) [0.05846, 0.6812, 0.5635]\n", + " PeriodicSite: S (10.84, 3.756, 1.153) [0.5337, 0.1849, 0.05676]\n", + " PeriodicSite: S (11.69, 4.107, 10.8) [0.5754, 0.2022, 0.5318]\n", + " PeriodicSite: S (10.93, 13.83, 1.098) [0.5379, 0.6808, 0.05406]\n", + " PeriodicSite: S (11.54, 13.48, 11.51) [0.568, 0.6637, 0.5665]\n", + " PeriodicSite: S (2.525, 2.619, 17.82) [0.1243, 0.1289, 0.8771]\n", + " PeriodicSite: S (2.372, 12.43, 7.501) [0.1168, 0.6118, 0.3693]\n", + " PeriodicSite: S (13.36, 2.649, 7.651) [0.6578, 0.1304, 0.3767]\n", + " PeriodicSite: S (9.04, 8.995, 3.963) [0.4451, 0.4428, 0.1951]\n", + " PeriodicSite: S (8.888, 8.75, 14.09) [0.4376, 0.4308, 0.6939]\n", + " PeriodicSite: S (8.86, 19.11, 3.989) [0.4362, 0.9407, 0.1964]\n", + " PeriodicSite: S (9.186, 19.41, 13.93) [0.4522, 0.9557, 0.6858]\n", + " PeriodicSite: S (19.2, 8.555, 4.026) [0.9452, 0.4212, 0.1982]\n", + " PeriodicSite: S (19.27, 9.069, 13.9) [0.9487, 0.4465, 0.6845]\n", + " PeriodicSite: S (19.25, 19.04, 3.918) [0.9477, 0.9371, 0.1929]\n", + " PeriodicSite: S (19.41, 19.28, 14.33) [0.9555, 0.9493, 0.7055]\n", + " PeriodicSite: S (4.006, 6.019, 6.351) [0.1972, 0.2963, 0.3127]\n", + " PeriodicSite: S (4.059, 6.222, 16.26) [0.1999, 0.3063, 0.8007]\n", + " PeriodicSite: S (3.808, 16.26, 6.455) [0.1874, 0.8004, 0.3178]\n", + " PeriodicSite: S (3.24, 16.38, 16.35) [0.1595, 0.8066, 0.8048]\n", + " PeriodicSite: S (13.92, 6.167, 6.222) [0.6851, 0.3036, 0.3063]\n", + " PeriodicSite: S (14.04, 6.139, 16.43) [0.6913, 0.3022, 0.8089]\n", + " PeriodicSite: S (14.14, 16.64, 6.597) [0.6962, 0.8192, 0.3248]\n", + " PeriodicSite: S (13.95, 16.63, 16.32) [0.6869, 0.8187, 0.8036]\n", + " PeriodicSite: S (6.618, 6.428, 4.174) [0.3258, 0.3165, 0.2055]\n", + " PeriodicSite: S (6.683, 6.183, 14.21) [0.329, 0.3044, 0.6995]\n", + " PeriodicSite: S (6.066, 16.44, 4.097) [0.2986, 0.8096, 0.2017]\n", + " PeriodicSite: S (6.025, 16.43, 14.21) [0.2966, 0.8086, 0.6994]\n", + " PeriodicSite: S (15.77, 6.25, 3.64) [0.7766, 0.3077, 0.1792]\n", + " PeriodicSite: S (16.14, 6.17, 13.61) [0.7945, 0.3037, 0.6699]\n", + " PeriodicSite: S (16.13, 16.06, 4.078) [0.7941, 0.7906, 0.2008]\n", + " PeriodicSite: S (16.77, 16.83, 14.36) [0.8255, 0.8284, 0.7069]\n", + " PeriodicSite: S (1.032, 8.913, 6.399) [0.0508, 0.4388, 0.3151]\n", + " PeriodicSite: S (1.109, 9.223, 16.41) [0.05458, 0.4541, 0.8081]\n", + " PeriodicSite: S (1.304, 19.05, 6.027) [0.06421, 0.9377, 0.2967]\n", + " PeriodicSite: S (1.335, 19.44, 16.69) [0.06572, 0.9569, 0.8217]\n", + " PeriodicSite: S (11.57, 9.008, 6.004) [0.5698, 0.4435, 0.2956]\n", + " PeriodicSite: S (11.34, 8.778, 16.46) [0.5585, 0.4322, 0.8104]\n", + " PeriodicSite: S (11.34, 18.97, 6.197) [0.5581, 0.9337, 0.3051]\n", + " PeriodicSite: S (11.36, 19.83, 16.28) [0.5595, 0.9761, 0.8015]\n", + " PeriodicSite: S (2.511, 17.5, 2.722) [0.1236, 0.8614, 0.134]\n", + " PeriodicSite: S (2.437, 17.99, 13.03) [0.12, 0.8855, 0.6417]\n", + " PeriodicSite: S (12.78, 7.599, 12.73) [0.6293, 0.3741, 0.6265]\n", + " PeriodicSite: S (12.61, 17.66, 2.569) [0.621, 0.8693, 0.1265]\n", + " PeriodicSite: S (4.134, 4.239, 3.525) [0.2035, 0.2087, 0.1735]\n", + " PeriodicSite: S (4.03, 3.697, 13.96) [0.1984, 0.182, 0.6875]\n", + " PeriodicSite: S (4.11, 13.74, 3.952) [0.2024, 0.6765, 0.1945]\n", + " PeriodicSite: S (3.596, 14.16, 13.95) [0.177, 0.6973, 0.6868]\n", + " PeriodicSite: S (13.84, 3.508, 4.053) [0.6812, 0.1727, 0.1996]\n", + " PeriodicSite: S (14.01, 3.827, 14.05) [0.6898, 0.1884, 0.6915]\n", + " PeriodicSite: S (13.68, 14.14, 4.127) [0.6734, 0.696, 0.2032]\n", + " PeriodicSite: S (14.24, 14.46, 13.84) [0.7013, 0.7117, 0.6812]\n", + " PeriodicSite: S (9.338, 1.242, 6.422) [0.4597, 0.06116, 0.3162]\n", + " PeriodicSite: S (9.428, 1.961, 15.83) [0.4642, 0.09654, 0.7795]\n", + " PeriodicSite: S (9.042, 11.36, 6.179) [0.4451, 0.5591, 0.3042]\n", + " PeriodicSite: S (8.969, 11.05, 16.6) [0.4416, 0.5439, 0.8172]\n", + " PeriodicSite: S (19.14, 1.009, 6.579) [0.9424, 0.04965, 0.3239]\n", + " PeriodicSite: S (19.14, 1.554, 16.63) [0.9422, 0.07647, 0.8185]\n", + " PeriodicSite: S (18.95, 11.15, 6.248) [0.9327, 0.549, 0.3076]\n", + " PeriodicSite: S (19.25, 11.7, 16.23) [0.9479, 0.5758, 0.7991]\n", + " PeriodicSite: S (1.049, 1.532, 4.069) [0.05166, 0.07542, 0.2003]\n", + " PeriodicSite: S (1.257, 1.376, 14.29) [0.06191, 0.06773, 0.7037]\n", + " PeriodicSite: S (1.47, 10.69, 3.75) [0.07235, 0.5265, 0.1846]\n", + " PeriodicSite: S (1.449, 11.47, 13.9) [0.07132, 0.5647, 0.6845]\n", + " PeriodicSite: S (11.43, 0.9958, 3.991) [0.5625, 0.04902, 0.1965]\n", + " PeriodicSite: S (11.59, 1.027, 13.25) [0.5704, 0.05056, 0.6522]\n", + " PeriodicSite: S (11.44, 11.51, 3.664) [0.5634, 0.5669, 0.1804]\n", + " PeriodicSite: S (11.25, 11.07, 13.91) [0.554, 0.5447, 0.685]\n", + " PeriodicSite: S (6.367, 3.899, 6.135) [0.3135, 0.1919, 0.302]\n", + " PeriodicSite: S (6.267, 3.553, 16.23) [0.3085, 0.1749, 0.7988]\n", + " PeriodicSite: S (6.3, 14.14, 6.459) [0.3101, 0.6963, 0.318]\n", + " PeriodicSite: S (5.996, 14.13, 16.4) [0.2952, 0.6959, 0.8076]\n", + " PeriodicSite: S (16.62, 3.981, 6.097) [0.8182, 0.196, 0.3002]\n", + " PeriodicSite: S (16.65, 3.972, 16.18) [0.8197, 0.1956, 0.7966]\n", + " PeriodicSite: S (16.0, 13.8, 6.607) [0.7879, 0.6792, 0.3253]\n", + " PeriodicSite: S (16.32, 14.46, 16.56) [0.8035, 0.712, 0.815]\n", + " PeriodicSite: S (7.748, 2.613, 12.54) [0.3814, 0.1287, 0.6175]\n", + " PeriodicSite: S (7.194, 12.3, 2.318) [0.3542, 0.6056, 0.1141]\n", + " PeriodicSite: S (17.52, 2.69, 2.688) [0.8625, 0.1324, 0.1324]\n", + " PeriodicSite: S (17.5, 12.51, 2.552) [0.8615, 0.6157, 0.1257]\n", + " PeriodicSite: S (17.73, 12.69, 12.96) [0.8728, 0.6248, 0.6382]\n", + " PeriodicSite: S (3.901, 9.213, 9.03) [0.192, 0.4536, 0.4446]\n", + " PeriodicSite: S (3.551, 8.864, 19.35) [0.1748, 0.4364, 0.9528]\n", + " PeriodicSite: S (3.906, 18.79, 9.127) [0.1923, 0.9251, 0.4493]\n", + " PeriodicSite: S (3.465, 19.21, 19.58) [0.1706, 0.9458, 0.9638]\n", + " PeriodicSite: S (14.23, 8.945, 8.925) [0.7008, 0.4404, 0.4394]\n", + " PeriodicSite: S (13.54, 9.107, 19.61) [0.6666, 0.4484, 0.9653]\n", + " PeriodicSite: S (13.91, 19.5, 9.368) [0.6849, 0.9601, 0.4612]\n", + " PeriodicSite: S (13.92, 18.93, 18.88) [0.6854, 0.9318, 0.9293]\n", + " PeriodicSite: S (8.739, 6.462, 0.9959) [0.4302, 0.3181, 0.04903]\n", + " PeriodicSite: S (9.206, 6.589, 10.92) [0.4532, 0.3244, 0.5378]\n", + " PeriodicSite: S (9.106, 16.51, 1.097) [0.4483, 0.8126, 0.05399]\n", + " PeriodicSite: S (9.213, 15.92, 11.97) [0.4536, 0.7839, 0.5891]\n", + " PeriodicSite: S (19.01, 6.586, 1.068) [0.936, 0.3242, 0.0526]\n", + " PeriodicSite: S (18.79, 6.06, 11.23) [0.9249, 0.2983, 0.5528]\n", + " PeriodicSite: S (18.92, 16.06, 1.576) [0.9313, 0.7908, 0.07759]\n", + " PeriodicSite: S (19.26, 16.26, 11.46) [0.948, 0.8005, 0.5641]\n", + " PeriodicSite: S (1.066, 6.299, 9.291) [0.05248, 0.3101, 0.4574]\n", + " PeriodicSite: S (0.6419, 6.458, 18.92) [0.03161, 0.3179, 0.9314]\n", + " PeriodicSite: S (1.438, 16.39, 9.129) [0.07079, 0.8068, 0.4494]\n", + " PeriodicSite: S (0.8238, 16.85, 19.4) [0.04055, 0.8296, 0.955]\n", + " PeriodicSite: S (11.33, 6.421, 8.422) [0.558, 0.3161, 0.4146]\n", + " PeriodicSite: S (11.28, 6.429, 19.38) [0.5555, 0.3165, 0.9542]\n", + " PeriodicSite: S (11.53, 16.16, 9.57) [0.5679, 0.7956, 0.4711]\n", + " PeriodicSite: S (11.62, 16.02, 19.09) [0.5718, 0.7886, 0.9396]\n", + " PeriodicSite: S (6.238, 8.946, 1.289) [0.3071, 0.4404, 0.06347]\n", + " PeriodicSite: S (6.51, 8.753, 11.25) [0.3205, 0.4309, 0.5539]\n", + " PeriodicSite: S (6.41, 19.08, 1.121) [0.3156, 0.9394, 0.05518]\n", + " PeriodicSite: S (6.066, 19.15, 11.82) [0.2986, 0.9426, 0.5817]\n", + " PeriodicSite: S (16.26, 8.967, 0.9143) [0.8007, 0.4415, 0.04502]\n", + " PeriodicSite: S (16.38, 9.057, 11.55) [0.8064, 0.4459, 0.5688]\n", + " PeriodicSite: S (15.89, 19.07, 1.262) [0.7823, 0.9388, 0.06213]\n", + " PeriodicSite: S (16.23, 19.11, 11.77) [0.7992, 0.9407, 0.5796]\n", + " PeriodicSite: S (7.257, 7.476, 17.61) [0.3573, 0.368, 0.8669]\n", + " PeriodicSite: S (7.922, 17.39, 7.67) [0.39, 0.8562, 0.3776]\n", + " PeriodicSite: S (17.49, 7.587, 7.628) [0.8612, 0.3735, 0.3755]\n", + " PeriodicSite: S (17.64, 17.56, 7.799) [0.8686, 0.8644, 0.384]\n", + " PeriodicSite: P (4.997, 20.28, 0.1516) [0.246, 0.9986, 0.007467]\n", + " PeriodicSite: P (5.002, 20.12, 10.37) [0.2462, 0.9904, 0.5103]\n", + " PeriodicSite: P (4.854, 9.983, 0.07294) [0.239, 0.4915, 0.003593]\n", + " PeriodicSite: P (5.343, 10.18, 10.26) [0.263, 0.5012, 0.5053]\n", + " PeriodicSite: P (15.02, 20.12, 20.04) [0.7397, 0.9907, 0.9865]\n", + " PeriodicSite: P (15.41, 0.1559, 10.5) [0.7584, 0.007671, 0.5172]\n", + " PeriodicSite: P (15.04, 10.41, 20.27) [0.7403, 0.5126, 0.9981]\n", + " PeriodicSite: P (15.23, 10.18, 10.37) [0.7496, 0.5012, 0.5107]\n", + " PeriodicSite: P (5.334, 5.168, 4.963) [0.2626, 0.2544, 0.2443]\n", + " PeriodicSite: P (5.235, 4.912, 15.06) [0.2577, 0.2418, 0.7415]\n", + " PeriodicSite: P (5.052, 15.12, 5.181) [0.2487, 0.7442, 0.2551]\n", + " PeriodicSite: P (4.691, 15.38, 15.25) [0.231, 0.7571, 0.7509]\n", + " PeriodicSite: P (15.03, 4.929, 5.179) [0.7401, 0.2426, 0.255]\n", + " PeriodicSite: P (15.27, 4.999, 15.11) [0.7519, 0.2461, 0.7439]\n", + " PeriodicSite: P (14.92, 15.09, 5.433) [0.7347, 0.7427, 0.2675]\n", + " PeriodicSite: P (15.24, 15.62, 15.21) [0.7505, 0.7688, 0.7488]\n", + " PeriodicSite: P (0.01876, 0.002499, 4.992) [0.0009249, 0.0001234, 0.2458]\n", + " PeriodicSite: P (0.05692, 0.2525, 15.59) [0.002806, 0.01243, 0.7673]\n", + " PeriodicSite: P (0.05194, 10.0, 5.101) [0.002554, 0.4924, 0.2511]\n", + " PeriodicSite: P (0.05805, 10.39, 15.12) [0.002857, 0.5116, 0.7442]\n", + " PeriodicSite: P (10.17, 20.27, 5.082) [0.5009, 0.9979, 0.2502]\n", + " PeriodicSite: P (10.41, 0.4628, 14.82) [0.5123, 0.02278, 0.7294]\n", + " PeriodicSite: P (10.25, 10.3, 4.875) [0.5048, 0.5071, 0.24]\n", + " PeriodicSite: P (10.09, 9.998, 15.24) [0.4968, 0.4922, 0.7504]\n", + " PeriodicSite: P (20.01, 5.275, 20.22) [0.9849, 0.2597, 0.9953]\n", + " PeriodicSite: P (20.13, 4.97, 10.17) [0.9908, 0.2447, 0.5007]\n", + " PeriodicSite: P (20.17, 15.3, 0.08432) [0.9928, 0.7532, 0.004158]\n", + " PeriodicSite: P (0.1529, 15.08, 10.16) [0.007524, 0.7422, 0.5]\n", + " PeriodicSite: P (9.924, 5.137, 20.19) [0.4886, 0.2529, 0.9942]\n", + " PeriodicSite: P (10.19, 5.364, 9.631) [0.5018, 0.2641, 0.4742]\n", + " PeriodicSite: P (10.06, 15.22, 20.19) [0.4954, 0.7493, 0.9939]\n", + " PeriodicSite: P (10.24, 14.84, 10.63) [0.5043, 0.7306, 0.5233],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.893, 7.038, 4.673) [0.09317, 0.3465, 0.2301]\n", + " PeriodicSite: Li (0.288, 3.301, 13.98) [0.01418, 0.1625, 0.6883]\n", + " PeriodicSite: Li (0.3761, 12.4, 8.157) [0.01851, 0.6105, 0.4016]\n", + " PeriodicSite: Li (1.767, 13.74, 15.84) [0.08701, 0.6766, 0.78]\n", + " PeriodicSite: Li (14.74, 0.2412, 7.379) [0.7255, 0.01187, 0.3633]\n", + " PeriodicSite: Li (11.56, 3.144, 15.23) [0.5691, 0.1548, 0.7496]\n", + " PeriodicSite: Li (13.26, 11.32, 4.96) [0.653, 0.5572, 0.2442]\n", + " PeriodicSite: Li (16.05, 8.126, 15.74) [0.7903, 0.4001, 0.775]\n", + " PeriodicSite: Li (3.812, 4.512, 8.127) [0.1877, 0.2221, 0.4001]\n", + " PeriodicSite: Li (2.489, 3.068, 0.08241) [0.1225, 0.151, 0.004058]\n", + " PeriodicSite: Li (4.926, 8.217, 3.984) [0.2425, 0.4045, 0.1962]\n", + " PeriodicSite: Li (7.251, 9.817, 17.23) [0.357, 0.4833, 0.8482]\n", + " PeriodicSite: Li (11.45, 4.028, 5.907) [0.5639, 0.1983, 0.2908]\n", + " PeriodicSite: Li (13.93, 0.1776, 16.84) [0.6857, 0.008739, 0.829]\n", + " PeriodicSite: Li (10.97, 9.165, 12.44) [0.54, 0.4512, 0.6123]\n", + " PeriodicSite: Li (7.799, 19.64, 19.23) [0.3839, 0.9668, 0.9466]\n", + " PeriodicSite: Li (6.031, 1.387, 6.878) [0.2969, 0.06828, 0.3386]\n", + " PeriodicSite: Li (3.735, 0.03577, 13.23) [0.1839, 0.00176, 0.6512]\n", + " PeriodicSite: Li (2.667, 10.39, 6.002) [0.1313, 0.5115, 0.2955]\n", + " PeriodicSite: Li (6.576, 10.05, 13.48) [0.3238, 0.4946, 0.6636]\n", + " PeriodicSite: Li (12.33, 2.377, 9.947) [0.607, 0.117, 0.4897]\n", + " PeriodicSite: Li (10.4, 1.071, 17.5) [0.5119, 0.05271, 0.8614]\n", + " PeriodicSite: Li (14.39, 14.2, 7.987) [0.7083, 0.6992, 0.3932]\n", + " PeriodicSite: Li (12.57, 9.391, 1.357) [0.6189, 0.4623, 0.0668]\n", + " PeriodicSite: Li (0.7953, 4.754, 7.362) [0.03915, 0.234, 0.3624]\n", + " PeriodicSite: Li (20.01, 3.892, 17.55) [0.9849, 0.1916, 0.864]\n", + " PeriodicSite: Li (1.724, 13.38, 5.644) [0.08487, 0.6588, 0.2779]\n", + " PeriodicSite: Li (3.275, 15.93, 18.5) [0.1612, 0.7841, 0.9109]\n", + " PeriodicSite: Li (13.34, 1.853, 5.431) [0.6569, 0.09122, 0.2674]\n", + " PeriodicSite: Li (16.12, 1.653, 16.62) [0.7935, 0.08139, 0.818]\n", + " PeriodicSite: Li (12.05, 11.89, 10.12) [0.5934, 0.5854, 0.4983]\n", + " PeriodicSite: Li (16.92, 17.27, 20.14) [0.8332, 0.8502, 0.9916]\n", + " PeriodicSite: Li (5.648, 2.186, 4.512) [0.2781, 0.1076, 0.2221]\n", + " PeriodicSite: Li (0.2139, 17.46, 2.664) [0.01052, 0.8597, 0.1311]\n", + " PeriodicSite: Li (2.835, 14.89, 8.584) [0.1396, 0.733, 0.4226]\n", + " PeriodicSite: Li (0.5779, 17.63, 14.55) [0.02845, 0.8682, 0.7163]\n", + " PeriodicSite: Li (15.18, 2.697, 9.022) [0.7472, 0.1328, 0.4442]\n", + " PeriodicSite: Li (13.25, 4.991, 18.33) [0.6523, 0.2457, 0.9022]\n", + " PeriodicSite: Li (17.06, 15.35, 8.205) [0.8399, 0.7559, 0.4039]\n", + " PeriodicSite: Li (10.59, 11.76, 18.37) [0.5214, 0.5792, 0.9043]\n", + " PeriodicSite: Li (2.913, 2.556, 4.646) [0.1434, 0.1259, 0.2287]\n", + " PeriodicSite: Li (1.395, 0.6753, 18.71) [0.06867, 0.03325, 0.9213]\n", + " PeriodicSite: Li (4.84, 12.24, 6.762) [0.2383, 0.6026, 0.3329]\n", + " PeriodicSite: Li (18.29, 14.31, 4.939) [0.9005, 0.7043, 0.2431]\n", + " PeriodicSite: Li (11.09, 0.7544, 7.537) [0.5458, 0.03714, 0.3711]\n", + " PeriodicSite: Li (17.04, 0.1051, 13.58) [0.8391, 0.005165, 0.6684]\n", + " PeriodicSite: Li (13.26, 9.895, 7.314) [0.653, 0.4871, 0.3601]\n", + " PeriodicSite: Li (13.14, 10.11, 17.17) [0.647, 0.4978, 0.8452]\n", + " PeriodicSite: Li (4.41, 12.29, 16.03) [0.2171, 0.605, 0.7893]\n", + " PeriodicSite: Li (2.252, 10.87, 9.727) [0.1109, 0.5349, 0.4789]\n", + " PeriodicSite: Li (2.068, 17.42, 4.624) [0.1018, 0.8574, 0.2276]\n", + " PeriodicSite: Li (0.1209, 1.513, 8.357) [0.005954, 0.07449, 0.4114]\n", + " PeriodicSite: Li (13.26, 5.24, 1.765) [0.6528, 0.258, 0.0869]\n", + " PeriodicSite: Li (12.84, 7.072, 14.58) [0.6322, 0.3481, 0.7178]\n", + " PeriodicSite: Li (10.51, 12.9, 6.677) [0.5175, 0.6351, 0.3287]\n", + " PeriodicSite: Li (13.12, 19.6, 14.09) [0.6459, 0.9651, 0.6939]\n", + " PeriodicSite: Li (3.039, 5.619, 1.593) [0.1496, 0.2766, 0.07844]\n", + " PeriodicSite: Li (3.4, 4.038, 11.3) [0.1674, 0.1988, 0.5561]\n", + " PeriodicSite: Li (6.973, 16.02, 19.32) [0.3433, 0.7886, 0.9512]\n", + " PeriodicSite: Li (3.486, 18.24, 14.92) [0.1716, 0.8978, 0.7347]\n", + " PeriodicSite: Li (13.03, 3.069, 19.97) [0.6414, 0.1511, 0.9832]\n", + " PeriodicSite: Li (10.87, 6.027, 12.59) [0.535, 0.2967, 0.6196]\n", + " PeriodicSite: Li (11.89, 15.56, 3.68) [0.5852, 0.7658, 0.1812]\n", + " PeriodicSite: Li (10.41, 17.02, 13.91) [0.5125, 0.8379, 0.685]\n", + " PeriodicSite: Li (3.379, 10.12, 17.15) [0.1663, 0.4981, 0.8445]\n", + " PeriodicSite: Li (5.11, 6.731, 11.03) [0.2516, 0.3314, 0.5432]\n", + " PeriodicSite: Li (4.308, 17.41, 1.387) [0.2121, 0.8571, 0.06829]\n", + " PeriodicSite: Li (2.142, 18.5, 10.45) [0.1055, 0.9107, 0.5144]\n", + " PeriodicSite: Li (10.22, 7.225, 3.048) [0.5029, 0.3557, 0.15]\n", + " PeriodicSite: Li (13.9, 5.78, 12.01) [0.6843, 0.2846, 0.5913]\n", + " PeriodicSite: Li (10.28, 17.95, 2.587) [0.5061, 0.8839, 0.1274]\n", + " PeriodicSite: Li (13.23, 14.97, 11.73) [0.6514, 0.7372, 0.5774]\n", + " PeriodicSite: Li (1.598, 9.495, 1.626) [0.07868, 0.4674, 0.08003]\n", + " PeriodicSite: Li (17.44, 5.168, 7.798) [0.8586, 0.2544, 0.3839]\n", + " PeriodicSite: Li (3.869, 19.73, 3.2) [0.1905, 0.9714, 0.1575]\n", + " PeriodicSite: Li (0.7421, 19.78, 12.65) [0.03653, 0.9738, 0.6226]\n", + " PeriodicSite: Li (9.84, 7.126, 6.636) [0.4844, 0.3508, 0.3267]\n", + " PeriodicSite: Li (13.44, 12.34, 15.48) [0.6614, 0.6077, 0.7622]\n", + " PeriodicSite: Li (15.0, 17.25, 1.941) [0.7386, 0.8491, 0.09555]\n", + " PeriodicSite: Li (12.2, 15.11, 17.1) [0.6005, 0.7437, 0.8416]\n", + " PeriodicSite: Li (7.435, 9.017, 5.607) [0.3661, 0.4439, 0.276]\n", + " PeriodicSite: Li (19.99, 12.7, 12.95) [0.9839, 0.6251, 0.6376]\n", + " PeriodicSite: Li (19.95, 17.68, 7.476) [0.9824, 0.8703, 0.3681]\n", + " PeriodicSite: Li (6.741, 18.76, 15.69) [0.3319, 0.9238, 0.7727]\n", + " PeriodicSite: Li (15.68, 10.22, 2.786) [0.7719, 0.5033, 0.1372]\n", + " PeriodicSite: Li (12.74, 7.602, 10.11) [0.627, 0.3743, 0.4979]\n", + " PeriodicSite: Li (13.05, 15.7, 0.6208) [0.6423, 0.7728, 0.03057]\n", + " PeriodicSite: Li (12.32, 18.57, 10.85) [0.6067, 0.914, 0.5341]\n", + " PeriodicSite: Li (5.045, 2.989, 18.75) [0.2484, 0.1471, 0.9228]\n", + " PeriodicSite: Li (3.369, 10.09, 13.78) [0.1659, 0.4969, 0.6785]\n", + " PeriodicSite: Li (7.007, 0.02763, 3.256) [0.345, 0.001357, 0.1603]\n", + " PeriodicSite: Li (1.843, 15.53, 12.47) [0.09072, 0.7647, 0.6137]\n", + " PeriodicSite: Li (13.79, 7.893, 4.161) [0.679, 0.3886, 0.2048]\n", + " PeriodicSite: Li (13.77, 9.372, 13.21) [0.6778, 0.4614, 0.6505]\n", + " PeriodicSite: Li (13.25, 18.47, 5.221) [0.6521, 0.9093, 0.257]\n", + " PeriodicSite: Li (18.09, 4.825, 14.19) [0.8904, 0.2375, 0.6987]\n", + " PeriodicSite: Li (9.697, 2.451, 0.6484) [0.4774, 0.1207, 0.03192]\n", + " PeriodicSite: Li (10.09, 2.204, 11.62) [0.4967, 0.1085, 0.5721]\n", + " PeriodicSite: Li (6.684, 12.17, 4.976) [0.3291, 0.5993, 0.245]\n", + " PeriodicSite: Li (7.381, 12.34, 14.99) [0.3634, 0.6077, 0.7379]\n", + " PeriodicSite: Li (17.53, 4.416, 3.934) [0.8629, 0.2174, 0.1937]\n", + " PeriodicSite: Li (13.33, 4.885, 8.471) [0.6562, 0.2405, 0.417]\n", + " PeriodicSite: Li (20.04, 13.52, 2.878) [0.9864, 0.6658, 0.1417]\n", + " PeriodicSite: Li (16.82, 10.51, 13.55) [0.8281, 0.5172, 0.667]\n", + " PeriodicSite: Li (6.154, 18.24, 5.855) [0.303, 0.8979, 0.2883]\n", + " PeriodicSite: Li (8.586, 3.955, 13.99) [0.4227, 0.1947, 0.6886]\n", + " PeriodicSite: Li (4.354, 13.06, 19.22) [0.2144, 0.643, 0.9462]\n", + " PeriodicSite: Li (9.887, 13.29, 13.88) [0.4867, 0.6543, 0.6833]\n", + " PeriodicSite: Li (13.83, 19.82, 2.825) [0.6807, 0.9755, 0.1391]\n", + " PeriodicSite: Li (18.96, 2.066, 10.9) [0.9333, 0.1017, 0.5366]\n", + " PeriodicSite: Li (17.22, 13.42, 0.4008) [0.848, 0.6607, 0.01974]\n", + " PeriodicSite: Li (17.58, 14.9, 10.86) [0.8653, 0.7335, 0.5347]\n", + " PeriodicSite: Li (8.514, 3.484, 4.873) [0.4192, 0.1715, 0.2399]\n", + " PeriodicSite: Li (7.992, 0.2545, 11.12) [0.3935, 0.01253, 0.5474]\n", + " PeriodicSite: Li (9.574, 13.36, 3.075) [0.4713, 0.6575, 0.1514]\n", + " PeriodicSite: Li (3.751, 13.59, 11.12) [0.1846, 0.6691, 0.5475]\n", + " PeriodicSite: Li (19.82, 2.572, 2.835) [0.9755, 0.1266, 0.1396]\n", + " PeriodicSite: Li (0.278, 8.847, 12.06) [0.01369, 0.4356, 0.5937]\n", + " PeriodicSite: Li (15.82, 13.92, 2.365) [0.7787, 0.6854, 0.1165]\n", + " PeriodicSite: Li (16.02, 12.72, 14.67) [0.7886, 0.6264, 0.7222]\n", + " PeriodicSite: Li (3.456, 20.18, 6.877) [0.1702, 0.9934, 0.3386]\n", + " PeriodicSite: Li (7.356, 0.8901, 14.3) [0.3622, 0.04382, 0.7039]\n", + " PeriodicSite: Li (4.965, 13.61, 1.784) [0.2444, 0.6701, 0.08785]\n", + " PeriodicSite: Li (9.019, 6.917, 15.81) [0.444, 0.3405, 0.7782]\n", + " PeriodicSite: Li (17.03, 4.521, 0.9542) [0.8383, 0.2226, 0.04698]\n", + " PeriodicSite: Li (15.16, 17.19, 12.12) [0.7465, 0.8465, 0.5967]\n", + " PeriodicSite: Li (14.47, 12.88, 19.83) [0.7126, 0.6339, 0.9761]\n", + " PeriodicSite: Li (18.31, 11.63, 10.63) [0.9013, 0.5724, 0.5233]\n", + " PeriodicSite: Li (8.149, 8.085, 0.01564) [0.4012, 0.398, 0.0007731]\n", + " PeriodicSite: Li (5.399, 2.68, 12.67) [0.2658, 0.1319, 0.6239]\n", + " PeriodicSite: Li (8.064, 10.68, 1.9) [0.397, 0.5256, 0.09356]\n", + " PeriodicSite: Li (8.99, 12.0, 11.04) [0.4426, 0.591, 0.5433]\n", + " PeriodicSite: Li (15.2, 2.846, 1.669) [0.7484, 0.1401, 0.08218]\n", + " PeriodicSite: Li (17.0, 4.255, 11.53) [0.8369, 0.2095, 0.5675]\n", + " PeriodicSite: Li (0.3704, 11.71, 19.44) [0.01823, 0.5765, 0.9571]\n", + " PeriodicSite: Li (18.07, 14.77, 14.23) [0.8896, 0.727, 0.7005]\n", + " PeriodicSite: Li (5.838, 3.305, 1.267) [0.2874, 0.1627, 0.06236]\n", + " PeriodicSite: Li (7.003, 3.112, 10.14) [0.3448, 0.1532, 0.4994]\n", + " PeriodicSite: Li (6.937, 15.17, 2.265) [0.3415, 0.7466, 0.1115]\n", + " PeriodicSite: Li (4.353, 17.26, 11.51) [0.2143, 0.8499, 0.5667]\n", + " PeriodicSite: Li (18.3, 1.696, 0.5997) [0.9008, 0.08351, 0.02953]\n", + " PeriodicSite: Li (2.189, 6.862, 15.17) [0.1078, 0.3378, 0.747]\n", + " PeriodicSite: Li (6.259, 13.6, 9.024) [0.3081, 0.6695, 0.4443]\n", + " PeriodicSite: Li (15.39, 13.09, 11.14) [0.7577, 0.6445, 0.5483]\n", + " PeriodicSite: Li (16.86, 11.75, 5.08) [0.83, 0.5784, 0.2501]\n", + " PeriodicSite: Li (6.192, 7.955, 15.94) [0.3048, 0.3916, 0.7849]\n", + " PeriodicSite: Li (6.738, 14.96, 12.25) [0.3317, 0.7365, 0.603]\n", + " PeriodicSite: Li (1.532, 18.44, 0.1992) [0.07542, 0.9077, 0.009807]\n", + " PeriodicSite: Li (17.24, 10.05, 7.172) [0.8488, 0.4946, 0.3531]\n", + " PeriodicSite: Li (2.646, 4.717, 17.87) [0.1303, 0.2322, 0.8795]\n", + " PeriodicSite: Li (16.66, 1.706, 5.442) [0.8204, 0.08396, 0.2679]\n", + " PeriodicSite: Li (18.88, 20.09, 18.54) [0.9296, 0.9889, 0.9126]\n", + " PeriodicSite: Li (5.375, 8.445, 7.038) [0.2646, 0.4157, 0.3465]\n", + " PeriodicSite: Li (7.232, 5.434, 18.0) [0.356, 0.2675, 0.886]\n", + " PeriodicSite: Li (8.683, 19.4, 7.888) [0.4274, 0.9549, 0.3883]\n", + " PeriodicSite: Li (8.153, 15.92, 16.6) [0.4014, 0.7838, 0.8172]\n", + " PeriodicSite: Li (17.08, 7.208, 10.17) [0.8408, 0.3548, 0.5007]\n", + " PeriodicSite: Li (19.49, 7.954, 19.42) [0.9596, 0.3916, 0.9561]\n", + " PeriodicSite: Li (18.09, 19.91, 7.296) [0.8907, 0.98, 0.3592]\n", + " PeriodicSite: Li (19.85, 16.29, 17.47) [0.9774, 0.802, 0.8601]\n", + " PeriodicSite: Li (6.789, 5.246, 8.308) [0.3342, 0.2583, 0.409]\n", + " PeriodicSite: Li (3.672, 1.941, 15.69) [0.1808, 0.09553, 0.7723]\n", + " PeriodicSite: Li (8.135, 16.4, 9.55) [0.4005, 0.8073, 0.4702]\n", + " PeriodicSite: Li (16.92, 10.39, 17.47) [0.8328, 0.5113, 0.8602]\n", + " PeriodicSite: Li (19.9, 8.267, 8.624) [0.9796, 0.407, 0.4246]\n", + " PeriodicSite: Li (16.61, 4.983, 18.52) [0.8178, 0.2453, 0.9119]\n", + " PeriodicSite: Li (15.37, 17.36, 8.718) [0.7565, 0.8548, 0.4292]\n", + " PeriodicSite: Li (15.59, 15.87, 18.31) [0.7677, 0.7815, 0.9016]\n", + " PeriodicSite: Li (8.861, 8.305, 9.309) [0.4362, 0.4089, 0.4583]\n", + " PeriodicSite: Li (6.154, 6.437, 1.613) [0.303, 0.3169, 0.07943]\n", + " PeriodicSite: Li (5.357, 16.6, 8.108) [0.2637, 0.817, 0.3992]\n", + " PeriodicSite: Li (7.229, 12.97, 0.1447) [0.3559, 0.6384, 0.007128]\n", + " PeriodicSite: Li (15.45, 7.427, 7.982) [0.7605, 0.3656, 0.393]\n", + " PeriodicSite: Li (19.39, 7.46, 15.85) [0.9547, 0.3673, 0.7801]\n", + " PeriodicSite: Li (16.11, 17.91, 5.908) [0.793, 0.8816, 0.2908]\n", + " PeriodicSite: Li (17.09, 18.76, 15.73) [0.8415, 0.9238, 0.7744]\n", + " PeriodicSite: Li (7.212, 4.935, 11.65) [0.355, 0.243, 0.5735]\n", + " PeriodicSite: Li (5.104, 7.254, 18.81) [0.2513, 0.3571, 0.9261]\n", + " PeriodicSite: Li (10.2, 16.78, 7.61) [0.5022, 0.826, 0.3747]\n", + " PeriodicSite: Li (11.91, 19.01, 0.2845) [0.5862, 0.936, 0.01401]\n", + " PeriodicSite: Li (16.61, 7.91, 5.448) [0.8177, 0.3894, 0.2682]\n", + " PeriodicSite: Li (14.6, 7.278, 0.3576) [0.7188, 0.3583, 0.01761]\n", + " PeriodicSite: Li (18.5, 18.21, 10.13) [0.9107, 0.8964, 0.4988]\n", + " PeriodicSite: Li (17.1, 20.17, 3.327) [0.8417, 0.9931, 0.1638]\n", + " PeriodicSite: Li (5.365, 11.03, 2.992) [0.2641, 0.5428, 0.1473]\n", + " PeriodicSite: Li (10.01, 8.583, 18.43) [0.4926, 0.4226, 0.9072]\n", + " PeriodicSite: Li (8.183, 16.11, 5.545) [0.4028, 0.7933, 0.273]\n", + " PeriodicSite: Li (4.115, 0.1215, 17.8) [0.2026, 0.005983, 0.8763]\n", + " PeriodicSite: Li (19.1, 7.003, 5.515) [0.9402, 0.3448, 0.2715]\n", + " PeriodicSite: Li (19.1, 10.77, 2.414) [0.9405, 0.5302, 0.1188]\n", + " PeriodicSite: Li (3.154, 15.35, 2.272) [0.1553, 0.7557, 0.1119]\n", + " PeriodicSite: Li (14.76, 2.112, 13.81) [0.7267, 0.104, 0.6799]\n", + " PeriodicSite: Cl (7.966, 12.84, 12.75) [0.3922, 0.6319, 0.6277]\n", + " PeriodicSite: Cl (2.67, 12.75, 17.73) [0.1315, 0.6278, 0.8727]\n", + " PeriodicSite: Cl (12.88, 17.57, 12.78) [0.6342, 0.8648, 0.629]\n", + " PeriodicSite: Cl (17.81, 7.825, 17.61) [0.8768, 0.3852, 0.8667]\n", + " PeriodicSite: Cl (7.505, 2.218, 3.102) [0.3695, 0.1092, 0.1527]\n", + " PeriodicSite: Cl (7.79, 7.384, 7.307) [0.3835, 0.3635, 0.3597]\n", + " PeriodicSite: Cl (12.68, 12.44, 7.363) [0.6241, 0.6122, 0.3625]\n", + " PeriodicSite: Cl (3.038, 7.84, 2.878) [0.1495, 0.386, 0.1417]\n", + " PeriodicSite: Cl (2.61, 7.961, 13.23) [0.1285, 0.3919, 0.6515]\n", + " PeriodicSite: Cl (12.75, 12.13, 17.93) [0.6279, 0.5974, 0.8828]\n", + " PeriodicSite: Cl (17.93, 18.06, 18.01) [0.8828, 0.8891, 0.8865]\n", + " PeriodicSite: Cl (2.202, 2.978, 7.333) [0.1084, 0.1466, 0.361]\n", + " PeriodicSite: Cl (12.83, 2.81, 17.41) [0.6318, 0.1383, 0.857]\n", + " PeriodicSite: Cl (12.49, 7.329, 2.351) [0.615, 0.3608, 0.1157]\n", + " PeriodicSite: Cl (17.92, 2.539, 12.79) [0.8822, 0.125, 0.6295]\n", + " PeriodicSite: Cl (7.933, 18.05, 17.63) [0.3906, 0.8888, 0.8681]\n", + " PeriodicSite: Cl (20.18, 0.1062, 0.1112) [0.9934, 0.005221, 0.005479]\n", + " PeriodicSite: Cl (20.04, 0.1145, 10.46) [0.9867, 0.005629, 0.5149]\n", + " PeriodicSite: Cl (20.24, 9.967, 0.4204) [0.9965, 0.4907, 0.0207]\n", + " PeriodicSite: Cl (20.23, 10.06, 10.13) [0.996, 0.4953, 0.4987]\n", + " PeriodicSite: Cl (9.984, 0.3359, 19.69) [0.4915, 0.01653, 0.9696]\n", + " PeriodicSite: Cl (9.993, 0.05491, 9.926) [0.492, 0.0027, 0.4887]\n", + " PeriodicSite: Cl (9.374, 10.24, 19.96) [0.4615, 0.5042, 0.9827]\n", + " PeriodicSite: Cl (10.47, 10.15, 10.38) [0.5153, 0.4997, 0.5109]\n", + " PeriodicSite: Cl (0.331, 5.209, 4.869) [0.0163, 0.2565, 0.2397]\n", + " PeriodicSite: Cl (0.4294, 5.216, 15.13) [0.02114, 0.2568, 0.7451]\n", + " PeriodicSite: Cl (0.05599, 15.14, 4.622) [0.002751, 0.7454, 0.2276]\n", + " PeriodicSite: Cl (0.4597, 15.51, 15.3) [0.02263, 0.7635, 0.7532]\n", + " PeriodicSite: Cl (10.01, 5.41, 4.879) [0.4928, 0.2663, 0.2402]\n", + " PeriodicSite: Cl (10.56, 5.456, 14.9) [0.5199, 0.2686, 0.7338]\n", + " PeriodicSite: Cl (9.841, 14.85, 4.93) [0.4845, 0.7313, 0.2427]\n", + " PeriodicSite: Cl (10.17, 15.1, 15.37) [0.5006, 0.7432, 0.7565]\n", + " PeriodicSite: S (5.056, 0.0336, 5.026) [0.2489, 0.001652, 0.2474]\n", + " PeriodicSite: S (4.909, 0.06757, 15.36) [0.2417, 0.003325, 0.7563]\n", + " PeriodicSite: S (5.266, 10.33, 5.098) [0.2592, 0.5085, 0.251]\n", + " PeriodicSite: S (5.192, 10.12, 15.46) [0.2556, 0.4984, 0.761]\n", + " PeriodicSite: S (15.19, 19.97, 4.884) [0.7476, 0.983, 0.2404]\n", + " PeriodicSite: S (15.34, 0.2141, 15.15) [0.755, 0.01054, 0.746]\n", + " PeriodicSite: S (15.25, 9.857, 5.255) [0.751, 0.4853, 0.2587]\n", + " PeriodicSite: S (15.13, 10.43, 15.2) [0.7448, 0.5132, 0.7483]\n", + " PeriodicSite: S (4.758, 4.996, 20.01) [0.2342, 0.246, 0.985]\n", + " PeriodicSite: S (5.265, 4.772, 10.05) [0.2592, 0.2349, 0.4948]\n", + " PeriodicSite: S (4.923, 15.09, 0.1175) [0.2424, 0.7427, 0.005788]\n", + " PeriodicSite: S (5.141, 15.16, 10.19) [0.2531, 0.7465, 0.5015]\n", + " PeriodicSite: S (14.78, 4.823, 20.23) [0.7274, 0.2374, 0.9962]\n", + " PeriodicSite: S (15.46, 5.222, 9.883) [0.7611, 0.2571, 0.4865]\n", + " PeriodicSite: S (15.37, 15.08, 0.2332) [0.7566, 0.7424, 0.01149]\n", + " PeriodicSite: S (15.29, 15.2, 10.23) [0.7526, 0.7483, 0.5036]\n", + " PeriodicSite: S (8.994, 3.834, 8.857) [0.4428, 0.1888, 0.436]\n", + " PeriodicSite: S (8.922, 3.987, 18.94) [0.4392, 0.1963, 0.9323]\n", + " PeriodicSite: S (9.504, 13.92, 9.052) [0.4679, 0.6855, 0.4457]\n", + " PeriodicSite: S (8.644, 14.14, 19.06) [0.4255, 0.6959, 0.9385]\n", + " PeriodicSite: S (19.12, 3.807, 9.05) [0.9415, 0.1874, 0.4455]\n", + " PeriodicSite: S (18.64, 3.598, 19.37) [0.9177, 0.1771, 0.9538]\n", + " PeriodicSite: S (18.98, 14.29, 9.075) [0.9343, 0.7037, 0.4468]\n", + " PeriodicSite: S (19.3, 13.97, 19.08) [0.9499, 0.688, 0.9394]\n", + " PeriodicSite: S (4.099, 1.588, 1.459) [0.2018, 0.07819, 0.07183]\n", + " PeriodicSite: S (3.588, 1.27, 11.04) [0.1767, 0.06254, 0.5437]\n", + " PeriodicSite: S (3.508, 11.17, 1.392) [0.1727, 0.5499, 0.06854]\n", + " PeriodicSite: S (4.172, 11.24, 11.38) [0.2054, 0.5535, 0.5602]\n", + " PeriodicSite: S (13.51, 0.9081, 0.8824) [0.6653, 0.0447, 0.04345]\n", + " PeriodicSite: S (14.34, 1.97, 11.25) [0.7061, 0.09696, 0.5539]\n", + " PeriodicSite: S (13.96, 11.29, 1.629) [0.6873, 0.5558, 0.08021]\n", + " PeriodicSite: S (13.77, 11.2, 11.44) [0.6779, 0.5514, 0.5632]\n", + " PeriodicSite: S (6.555, 0.9213, 9.176) [0.3227, 0.04535, 0.4517]\n", + " PeriodicSite: S (6.162, 1.154, 19.21) [0.3034, 0.0568, 0.9456]\n", + " PeriodicSite: S (6.316, 11.31, 8.878) [0.3109, 0.5567, 0.4371]\n", + " PeriodicSite: S (5.905, 11.13, 19.2) [0.2907, 0.5481, 0.9453]\n", + " PeriodicSite: S (16.59, 0.9737, 8.957) [0.8169, 0.04793, 0.441]\n", + " PeriodicSite: S (16.27, 1.252, 19.05) [0.8008, 0.06164, 0.9379]\n", + " PeriodicSite: S (16.49, 11.73, 9.1) [0.812, 0.5777, 0.448]\n", + " PeriodicSite: S (16.23, 11.64, 19.25) [0.7992, 0.5732, 0.9476]\n", + " PeriodicSite: S (0.9657, 4.287, 1.624) [0.04754, 0.2111, 0.07997]\n", + " PeriodicSite: S (0.9285, 3.677, 11.54) [0.04571, 0.181, 0.5682]\n", + " PeriodicSite: S (1.325, 14.01, 1.015) [0.06523, 0.6899, 0.04997]\n", + " PeriodicSite: S (1.306, 13.78, 11.05) [0.06427, 0.6782, 0.5442]\n", + " PeriodicSite: S (11.22, 4.089, 1.07) [0.5524, 0.2013, 0.05267]\n", + " PeriodicSite: S (11.53, 4.239, 11.06) [0.5676, 0.2087, 0.5445]\n", + " PeriodicSite: S (10.93, 14.12, 1.329) [0.5383, 0.695, 0.06542]\n", + " PeriodicSite: S (11.24, 13.66, 11.87) [0.5533, 0.6726, 0.5846]\n", + " PeriodicSite: S (2.753, 2.508, 18.01) [0.1355, 0.1235, 0.8867]\n", + " PeriodicSite: S (2.618, 12.37, 7.565) [0.1289, 0.6092, 0.3725]\n", + " PeriodicSite: S (12.84, 2.283, 7.682) [0.6319, 0.1124, 0.3782]\n", + " PeriodicSite: S (8.976, 9.033, 3.505) [0.4419, 0.4447, 0.1726]\n", + " PeriodicSite: S (8.692, 8.761, 14.23) [0.4279, 0.4313, 0.7007]\n", + " PeriodicSite: S (8.887, 19.09, 3.907) [0.4375, 0.9399, 0.1924]\n", + " PeriodicSite: S (9.064, 19.44, 14.12) [0.4462, 0.957, 0.695]\n", + " PeriodicSite: S (19.09, 8.835, 3.908) [0.9398, 0.4349, 0.1924]\n", + " PeriodicSite: S (19.21, 8.913, 14.1) [0.9459, 0.4388, 0.694]\n", + " PeriodicSite: S (19.25, 19.14, 3.412) [0.9478, 0.9422, 0.168]\n", + " PeriodicSite: S (19.23, 19.3, 14.28) [0.9469, 0.9503, 0.7032]\n", + " PeriodicSite: S (3.788, 6.525, 6.186) [0.1865, 0.3212, 0.3045]\n", + " PeriodicSite: S (4.373, 6.219, 16.36) [0.2153, 0.3061, 0.8055]\n", + " PeriodicSite: S (3.357, 16.19, 6.357) [0.1653, 0.7972, 0.3129]\n", + " PeriodicSite: S (3.769, 16.43, 16.37) [0.1855, 0.8088, 0.8059]\n", + " PeriodicSite: S (13.92, 6.172, 6.273) [0.6851, 0.3039, 0.3088]\n", + " PeriodicSite: S (14.19, 6.491, 16.57) [0.6986, 0.3195, 0.8157]\n", + " PeriodicSite: S (13.96, 16.4, 6.478) [0.6873, 0.8074, 0.3189]\n", + " PeriodicSite: S (14.3, 16.6, 16.55) [0.704, 0.8172, 0.8146]\n", + " PeriodicSite: S (6.478, 6.358, 4.498) [0.3189, 0.313, 0.2215]\n", + " PeriodicSite: S (6.929, 5.91, 13.89) [0.3411, 0.2909, 0.684]\n", + " PeriodicSite: S (5.891, 16.58, 4.241) [0.29, 0.8163, 0.2088]\n", + " PeriodicSite: S (6.031, 16.53, 14.17) [0.2969, 0.8137, 0.6977]\n", + " PeriodicSite: S (16.07, 6.092, 3.717) [0.7911, 0.2999, 0.183]\n", + " PeriodicSite: S (16.19, 6.336, 13.88) [0.7968, 0.3119, 0.6832]\n", + " PeriodicSite: S (16.55, 16.33, 4.147) [0.8147, 0.8037, 0.2042]\n", + " PeriodicSite: S (16.74, 16.59, 14.27) [0.8241, 0.817, 0.7025]\n", + " PeriodicSite: S (0.8391, 8.612, 6.42) [0.04131, 0.424, 0.3161]\n", + " PeriodicSite: S (1.125, 9.048, 16.69) [0.05536, 0.4455, 0.8216]\n", + " PeriodicSite: S (1.222, 18.97, 6.185) [0.06016, 0.9338, 0.3045]\n", + " PeriodicSite: S (1.247, 18.96, 16.58) [0.06137, 0.9335, 0.8161]\n", + " PeriodicSite: S (11.39, 8.913, 5.704) [0.5606, 0.4388, 0.2808]\n", + " PeriodicSite: S (11.21, 8.769, 16.39) [0.5519, 0.4317, 0.8067]\n", + " PeriodicSite: S (11.21, 18.85, 6.405) [0.552, 0.9282, 0.3153]\n", + " PeriodicSite: S (11.56, 19.65, 16.05) [0.569, 0.9675, 0.7902]\n", + " PeriodicSite: S (2.417, 17.76, 2.427) [0.119, 0.8741, 0.1195]\n", + " PeriodicSite: S (2.273, 17.87, 12.7) [0.1119, 0.8799, 0.6253]\n", + " PeriodicSite: S (12.56, 7.581, 12.42) [0.6185, 0.3732, 0.6116]\n", + " PeriodicSite: S (12.56, 17.54, 2.415) [0.6182, 0.8635, 0.1189]\n", + " PeriodicSite: S (4.334, 4.049, 3.598) [0.2134, 0.1993, 0.1771]\n", + " PeriodicSite: S (3.95, 4.001, 13.89) [0.1945, 0.197, 0.6839]\n", + " PeriodicSite: S (3.718, 13.97, 3.972) [0.183, 0.6878, 0.1956]\n", + " PeriodicSite: S (3.836, 14.03, 14.07) [0.1889, 0.6909, 0.6928]\n", + " PeriodicSite: S (13.76, 3.726, 3.973) [0.6773, 0.1834, 0.1956]\n", + " PeriodicSite: S (13.78, 4.151, 14.13) [0.6782, 0.2044, 0.6958]\n", + " PeriodicSite: S (13.96, 14.07, 4.2) [0.6874, 0.6928, 0.2068]\n", + " PeriodicSite: S (14.28, 14.18, 14.16) [0.7029, 0.698, 0.6969]\n", + " PeriodicSite: S (9.107, 1.193, 6.164) [0.4483, 0.05874, 0.3034]\n", + " PeriodicSite: S (9.235, 1.885, 15.45) [0.4546, 0.0928, 0.7605]\n", + " PeriodicSite: S (9.031, 11.15, 6.093) [0.4446, 0.549, 0.2999]\n", + " PeriodicSite: S (9.14, 11.46, 16.27) [0.45, 0.564, 0.8009]\n", + " PeriodicSite: S (19.08, 0.9242, 5.85) [0.9395, 0.04549, 0.288]\n", + " PeriodicSite: S (19.56, 1.341, 16.79) [0.9628, 0.066, 0.8266]\n", + " PeriodicSite: S (19.05, 11.26, 6.215) [0.9377, 0.5546, 0.306]\n", + " PeriodicSite: S (18.81, 11.28, 16.11) [0.9262, 0.5551, 0.7932]\n", + " PeriodicSite: S (1.321, 1.069, 3.623) [0.06506, 0.0526, 0.1784]\n", + " PeriodicSite: S (1.528, 1.078, 14.27) [0.07523, 0.05306, 0.7024]\n", + " PeriodicSite: S (1.256, 11.33, 4.303) [0.06181, 0.5577, 0.2119]\n", + " PeriodicSite: S (1.188, 11.54, 14.33) [0.05849, 0.5684, 0.7055]\n", + " PeriodicSite: S (11.43, 0.7002, 3.824) [0.5628, 0.03447, 0.1882]\n", + " PeriodicSite: S (11.78, 1.223, 13.35) [0.5801, 0.06021, 0.6572]\n", + " PeriodicSite: S (11.34, 11.68, 3.541) [0.5583, 0.5752, 0.1743]\n", + " PeriodicSite: S (11.34, 11.09, 14.0) [0.5585, 0.5462, 0.6894]\n", + " PeriodicSite: S (6.073, 3.824, 6.48) [0.299, 0.1883, 0.319]\n", + " PeriodicSite: S (6.539, 3.623, 16.34) [0.3219, 0.1784, 0.8044]\n", + " PeriodicSite: S (6.023, 14.13, 6.535) [0.2965, 0.6956, 0.3217]\n", + " PeriodicSite: S (6.14, 13.97, 16.59) [0.3023, 0.6876, 0.8165]\n", + " PeriodicSite: S (16.33, 3.857, 6.061) [0.8038, 0.1899, 0.2984]\n", + " PeriodicSite: S (16.69, 4.024, 16.06) [0.8216, 0.1981, 0.7909]\n", + " PeriodicSite: S (16.36, 13.93, 6.459) [0.8054, 0.6857, 0.318]\n", + " PeriodicSite: S (16.57, 14.07, 16.43) [0.8158, 0.6927, 0.809]\n", + " PeriodicSite: S (7.762, 2.631, 12.21) [0.3821, 0.1295, 0.6011]\n", + " PeriodicSite: S (7.206, 12.81, 2.523) [0.3547, 0.6309, 0.1242]\n", + " PeriodicSite: S (17.33, 2.579, 2.749) [0.853, 0.1269, 0.1354]\n", + " PeriodicSite: S (17.57, 12.5, 2.811) [0.865, 0.6154, 0.1384]\n", + " PeriodicSite: S (17.37, 12.78, 12.6) [0.855, 0.6294, 0.6205]\n", + " PeriodicSite: S (3.917, 9.049, 9.061) [0.1928, 0.4455, 0.4461]\n", + " PeriodicSite: S (3.377, 8.851, 19.19) [0.1663, 0.4357, 0.9448]\n", + " PeriodicSite: S (4.059, 18.76, 9.124) [0.1998, 0.9234, 0.4492]\n", + " PeriodicSite: S (3.509, 19.34, 19.76) [0.1727, 0.9522, 0.9727]\n", + " PeriodicSite: S (14.34, 9.065, 9.127) [0.7058, 0.4463, 0.4493]\n", + " PeriodicSite: S (13.61, 9.132, 19.47) [0.6702, 0.4496, 0.9584]\n", + " PeriodicSite: S (13.85, 19.35, 9.327) [0.6818, 0.9525, 0.4592]\n", + " PeriodicSite: S (14.22, 18.84, 19.06) [0.7002, 0.9277, 0.9382]\n", + " PeriodicSite: S (8.593, 6.011, 1.26) [0.423, 0.2959, 0.06205]\n", + " PeriodicSite: S (9.236, 6.693, 10.93) [0.4547, 0.3295, 0.5381]\n", + " PeriodicSite: S (8.588, 16.63, 1.086) [0.4228, 0.8188, 0.05345]\n", + " PeriodicSite: S (8.915, 15.95, 11.7) [0.4389, 0.7854, 0.5758]\n", + " PeriodicSite: S (18.6, 6.285, 0.9159) [0.9156, 0.3094, 0.04509]\n", + " PeriodicSite: S (18.83, 5.784, 11.79) [0.9268, 0.2847, 0.5803]\n", + " PeriodicSite: S (18.99, 16.0, 1.437) [0.9351, 0.7878, 0.07075]\n", + " PeriodicSite: S (19.13, 16.35, 11.74) [0.9419, 0.8048, 0.578]\n", + " PeriodicSite: S (0.9208, 6.396, 9.444) [0.04533, 0.3149, 0.465]\n", + " PeriodicSite: S (0.604, 5.921, 18.85) [0.02974, 0.2915, 0.9282]\n", + " PeriodicSite: S (1.158, 16.65, 9.103) [0.057, 0.8197, 0.4481]\n", + " PeriodicSite: S (0.8873, 16.53, 19.13) [0.04368, 0.8138, 0.9416]\n", + " PeriodicSite: S (11.37, 6.211, 8.368) [0.5596, 0.3058, 0.4119]\n", + " PeriodicSite: S (11.13, 6.661, 19.22) [0.548, 0.3279, 0.946]\n", + " PeriodicSite: S (11.69, 16.14, 9.618) [0.5753, 0.7948, 0.4735]\n", + " PeriodicSite: S (11.29, 16.42, 19.44) [0.5561, 0.8082, 0.9571]\n", + " PeriodicSite: S (6.035, 8.961, 1.164) [0.2971, 0.4411, 0.05733]\n", + " PeriodicSite: S (6.695, 8.891, 10.94) [0.3296, 0.4377, 0.5386]\n", + " PeriodicSite: S (6.153, 19.07, 1.352) [0.3029, 0.9386, 0.06656]\n", + " PeriodicSite: S (5.955, 19.4, 11.81) [0.2932, 0.9549, 0.5812]\n", + " PeriodicSite: S (16.4, 8.872, 0.9039) [0.8074, 0.4368, 0.0445]\n", + " PeriodicSite: S (16.61, 9.317, 11.5) [0.8179, 0.4587, 0.5662]\n", + " PeriodicSite: S (16.24, 19.25, 1.446) [0.7994, 0.9476, 0.07118]\n", + " PeriodicSite: S (16.3, 19.32, 11.57) [0.8024, 0.9509, 0.5697]\n", + " PeriodicSite: S (7.83, 7.759, 17.85) [0.3855, 0.382, 0.8788]\n", + " PeriodicSite: S (7.73, 17.35, 7.542) [0.3805, 0.8541, 0.3713]\n", + " PeriodicSite: S (17.75, 7.522, 7.464) [0.8737, 0.3703, 0.3675]\n", + " PeriodicSite: S (17.48, 17.74, 7.884) [0.8605, 0.8733, 0.3881]\n", + " PeriodicSite: P (5.059, 0.1325, 0.3482) [0.2491, 0.006523, 0.01714]\n", + " PeriodicSite: P (4.999, 20.29, 10.28) [0.2461, 0.999, 0.5061]\n", + " PeriodicSite: P (4.665, 10.12, 0.03733) [0.2297, 0.4983, 0.00184]\n", + " PeriodicSite: P (5.28, 10.09, 10.06) [0.26, 0.4965, 0.4953]\n", + " PeriodicSite: P (15.14, 20.23, 20.23) [0.7453, 0.9958, 0.9961]\n", + " PeriodicSite: P (15.16, 0.2336, 10.34) [0.7464, 0.0115, 0.509]\n", + " PeriodicSite: P (15.05, 10.31, 0.116) [0.7407, 0.5075, 0.005714]\n", + " PeriodicSite: P (15.3, 10.39, 10.29) [0.7532, 0.5114, 0.5064]\n", + " PeriodicSite: P (5.029, 5.251, 5.296) [0.2476, 0.2585, 0.2607]\n", + " PeriodicSite: P (5.477, 4.927, 15.14) [0.2696, 0.2425, 0.7456]\n", + " PeriodicSite: P (4.825, 15.2, 5.192) [0.2375, 0.7482, 0.2556]\n", + " PeriodicSite: P (4.93, 15.16, 15.38) [0.2427, 0.7465, 0.7573]\n", + " PeriodicSite: P (14.99, 4.971, 4.956) [0.7378, 0.2447, 0.244]\n", + " PeriodicSite: P (15.14, 5.232, 15.3) [0.7456, 0.2576, 0.7531]\n", + " PeriodicSite: P (15.18, 15.27, 5.211) [0.7471, 0.7515, 0.2566]\n", + " PeriodicSite: P (15.49, 15.38, 15.38) [0.7625, 0.7573, 0.757]\n", + " PeriodicSite: P (0.09543, 20.17, 4.823) [0.00469, 0.9932, 0.2375]\n", + " PeriodicSite: P (0.2776, 0.06507, 15.53) [0.01367, 0.003205, 0.7647]\n", + " PeriodicSite: P (20.15, 9.954, 5.07) [0.9921, 0.4901, 0.2496]\n", + " PeriodicSite: P (20.27, 10.18, 15.26) [0.9982, 0.5009, 0.7513]\n", + " PeriodicSite: P (10.11, 20.06, 5.149) [0.4977, 0.9877, 0.2535]\n", + " PeriodicSite: P (10.44, 0.387, 14.71) [0.5141, 0.01905, 0.7243]\n", + " PeriodicSite: P (10.28, 10.24, 4.751) [0.5061, 0.504, 0.2339]\n", + " PeriodicSite: P (10.08, 9.955, 15.17) [0.4963, 0.4901, 0.747]\n", + " PeriodicSite: P (19.86, 4.922, 0.1115) [0.9779, 0.2423, 0.005494]\n", + " PeriodicSite: P (20.16, 5.021, 10.47) [0.9925, 0.2472, 0.5155]\n", + " PeriodicSite: P (20.28, 15.2, 0.08367) [0.9983, 0.7482, 0.004126]\n", + " PeriodicSite: P (20.28, 15.38, 10.27) [0.9984, 0.7572, 0.5055]\n", + " PeriodicSite: P (9.909, 5.275, 20.2) [0.4878, 0.2597, 0.9944]\n", + " PeriodicSite: P (10.23, 5.174, 9.818) [0.5036, 0.2547, 0.4833]\n", + " PeriodicSite: P (9.852, 15.26, 0.08758) [0.485, 0.7512, 0.004316]\n", + " PeriodicSite: P (10.37, 15.0, 10.59) [0.5108, 0.7383, 0.5212],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.153, 6.077, 4.616) [0.106, 0.2992, 0.2273]\n", + " PeriodicSite: Li (0.2253, 3.309, 13.71) [0.01109, 0.1629, 0.6751]\n", + " PeriodicSite: Li (0.2903, 12.4, 8.713) [0.01429, 0.6103, 0.4289]\n", + " PeriodicSite: Li (1.489, 13.17, 15.75) [0.07328, 0.6483, 0.7752]\n", + " PeriodicSite: Li (13.93, 0.4239, 7.422) [0.6856, 0.02086, 0.3654]\n", + " PeriodicSite: Li (11.73, 3.271, 15.16) [0.5775, 0.161, 0.7463]\n", + " PeriodicSite: Li (13.74, 11.75, 4.471) [0.6766, 0.5784, 0.2201]\n", + " PeriodicSite: Li (15.63, 8.293, 14.9) [0.7696, 0.4083, 0.7334]\n", + " PeriodicSite: Li (4.494, 4.879, 8.006) [0.2213, 0.2402, 0.3941]\n", + " PeriodicSite: Li (2.737, 3.054, 20.25) [0.1347, 0.1503, 0.9971]\n", + " PeriodicSite: Li (4.685, 8.298, 3.753) [0.2306, 0.4085, 0.1848]\n", + " PeriodicSite: Li (6.546, 9.968, 17.27) [0.3223, 0.4907, 0.8502]\n", + " PeriodicSite: Li (11.92, 4.22, 5.876) [0.5866, 0.2078, 0.2893]\n", + " PeriodicSite: Li (13.66, 0.2771, 16.81) [0.6727, 0.01363, 0.8278]\n", + " PeriodicSite: Li (10.53, 9.164, 12.32) [0.5183, 0.4512, 0.6066]\n", + " PeriodicSite: Li (8.515, 18.73, 19.46) [0.4192, 0.9219, 0.9581]\n", + " PeriodicSite: Li (6.554, 0.8438, 6.739) [0.3227, 0.04154, 0.3318]\n", + " PeriodicSite: Li (3.927, 20.04, 13.08) [0.1933, 0.9864, 0.6441]\n", + " PeriodicSite: Li (2.478, 10.91, 5.696) [0.122, 0.5374, 0.2804]\n", + " PeriodicSite: Li (6.801, 10.39, 13.22) [0.3348, 0.5114, 0.651]\n", + " PeriodicSite: Li (12.23, 1.84, 9.951) [0.602, 0.09057, 0.4899]\n", + " PeriodicSite: Li (10.72, 1.192, 17.98) [0.5275, 0.05868, 0.885]\n", + " PeriodicSite: Li (14.9, 13.68, 8.653) [0.7335, 0.6734, 0.426]\n", + " PeriodicSite: Li (11.99, 9.829, 0.8162) [0.5904, 0.4839, 0.04018]\n", + " PeriodicSite: Li (0.4984, 4.712, 7.518) [0.02453, 0.232, 0.3701]\n", + " PeriodicSite: Li (0.9567, 3.403, 17.76) [0.0471, 0.1675, 0.8744]\n", + " PeriodicSite: Li (1.842, 13.72, 5.891) [0.09069, 0.6752, 0.29]\n", + " PeriodicSite: Li (3.34, 15.19, 18.45) [0.1644, 0.7478, 0.9083]\n", + " PeriodicSite: Li (13.27, 1.624, 5.145) [0.6532, 0.07995, 0.2533]\n", + " PeriodicSite: Li (16.35, 1.732, 16.92) [0.8047, 0.08526, 0.8328]\n", + " PeriodicSite: Li (12.29, 12.01, 9.887) [0.6051, 0.5913, 0.4867]\n", + " PeriodicSite: Li (17.12, 16.85, 20.04) [0.8426, 0.8295, 0.9864]\n", + " PeriodicSite: Li (4.865, 2.323, 3.898) [0.2395, 0.1144, 0.1919]\n", + " PeriodicSite: Li (0.04193, 16.96, 3.06) [0.002057, 0.8348, 0.1506]\n", + " PeriodicSite: Li (2.538, 14.76, 9.189) [0.125, 0.7268, 0.4524]\n", + " PeriodicSite: Li (0.2997, 17.55, 14.02) [0.01475, 0.8641, 0.69]\n", + " PeriodicSite: Li (14.7, 3.109, 8.957) [0.7238, 0.153, 0.441]\n", + " PeriodicSite: Li (13.5, 5.908, 18.89) [0.6648, 0.2909, 0.93]\n", + " PeriodicSite: Li (17.29, 15.55, 8.614) [0.851, 0.7655, 0.4241]\n", + " PeriodicSite: Li (10.43, 12.22, 18.33) [0.5137, 0.6014, 0.9025]\n", + " PeriodicSite: Li (2.264, 2.657, 5.187) [0.1114, 0.1308, 0.2554]\n", + " PeriodicSite: Li (1.439, 0.7911, 18.3) [0.07083, 0.03895, 0.9008]\n", + " PeriodicSite: Li (4.564, 11.83, 6.758) [0.2247, 0.5826, 0.3327]\n", + " PeriodicSite: Li (18.24, 14.86, 4.662) [0.8982, 0.7317, 0.2295]\n", + " PeriodicSite: Li (10.67, 1.825, 7.66) [0.5251, 0.08986, 0.3771]\n", + " PeriodicSite: Li (17.11, 0.4152, 13.62) [0.8424, 0.02044, 0.6706]\n", + " PeriodicSite: Li (13.83, 10.46, 7.035) [0.6808, 0.5149, 0.3463]\n", + " PeriodicSite: Li (14.05, 9.488, 17.14) [0.6919, 0.4671, 0.844]\n", + " PeriodicSite: Li (4.747, 12.55, 16.9) [0.2337, 0.6178, 0.8322]\n", + " PeriodicSite: Li (2.274, 10.56, 9.516) [0.1119, 0.5198, 0.4685]\n", + " PeriodicSite: Li (2.091, 17.22, 4.891) [0.1029, 0.848, 0.2408]\n", + " PeriodicSite: Li (0.0802, 1.648, 7.8) [0.00395, 0.08113, 0.384]\n", + " PeriodicSite: Li (12.92, 5.332, 1.562) [0.6363, 0.2625, 0.07689]\n", + " PeriodicSite: Li (12.03, 6.984, 14.88) [0.5923, 0.3438, 0.7324]\n", + " PeriodicSite: Li (10.77, 13.41, 6.964) [0.5302, 0.66, 0.3428]\n", + " PeriodicSite: Li (13.38, 19.45, 14.31) [0.6585, 0.9577, 0.7043]\n", + " PeriodicSite: Li (2.87, 5.517, 1.531) [0.1413, 0.2716, 0.07537]\n", + " PeriodicSite: Li (3.193, 3.907, 10.29) [0.1572, 0.1924, 0.5065]\n", + " PeriodicSite: Li (6.967, 15.96, 19.57) [0.343, 0.7855, 0.9637]\n", + " PeriodicSite: Li (3.266, 18.78, 15.49) [0.1608, 0.9245, 0.7624]\n", + " PeriodicSite: Li (13.55, 2.683, 19.67) [0.6672, 0.1321, 0.9682]\n", + " PeriodicSite: Li (10.94, 5.926, 12.38) [0.5388, 0.2917, 0.6097]\n", + " PeriodicSite: Li (11.9, 15.49, 3.615) [0.5858, 0.7624, 0.178]\n", + " PeriodicSite: Li (10.33, 17.08, 13.71) [0.5088, 0.8407, 0.6748]\n", + " PeriodicSite: Li (3.039, 10.05, 17.08) [0.1496, 0.4946, 0.841]\n", + " PeriodicSite: Li (4.367, 7.056, 10.63) [0.215, 0.3474, 0.5232]\n", + " PeriodicSite: Li (4.215, 17.7, 0.8057) [0.2075, 0.8712, 0.03967]\n", + " PeriodicSite: Li (1.509, 18.12, 10.49) [0.07431, 0.8923, 0.5166]\n", + " PeriodicSite: Li (10.48, 6.399, 3.328) [0.5157, 0.315, 0.1638]\n", + " PeriodicSite: Li (14.45, 6.511, 12.48) [0.7115, 0.3205, 0.6144]\n", + " PeriodicSite: Li (10.24, 18.41, 2.174) [0.504, 0.9063, 0.107]\n", + " PeriodicSite: Li (13.19, 15.3, 11.78) [0.6493, 0.7531, 0.5801]\n", + " PeriodicSite: Li (1.601, 10.07, 1.874) [0.07884, 0.4957, 0.09224]\n", + " PeriodicSite: Li (17.32, 5.014, 7.882) [0.8529, 0.2469, 0.3881]\n", + " PeriodicSite: Li (3.401, 19.68, 3.564) [0.1674, 0.9689, 0.1754]\n", + " PeriodicSite: Li (0.6475, 19.56, 12.71) [0.03187, 0.9632, 0.6255]\n", + " PeriodicSite: Li (10.09, 7.242, 6.631) [0.4965, 0.3565, 0.3265]\n", + " PeriodicSite: Li (13.25, 12.15, 15.43) [0.6522, 0.5983, 0.7595]\n", + " PeriodicSite: Li (14.75, 16.46, 2.218) [0.7261, 0.8103, 0.1092]\n", + " PeriodicSite: Li (11.97, 15.31, 16.83) [0.5895, 0.7538, 0.8285]\n", + " PeriodicSite: Li (7.368, 9.039, 5.348) [0.3627, 0.445, 0.2633]\n", + " PeriodicSite: Li (0.219, 12.3, 12.46) [0.01078, 0.6055, 0.6136]\n", + " PeriodicSite: Li (19.63, 17.19, 7.009) [0.9663, 0.8465, 0.3451]\n", + " PeriodicSite: Li (6.179, 18.36, 16.07) [0.3042, 0.9037, 0.791]\n", + " PeriodicSite: Li (16.01, 10.66, 3.112) [0.7884, 0.5246, 0.1532]\n", + " PeriodicSite: Li (12.67, 7.605, 10.31) [0.6237, 0.3744, 0.5073]\n", + " PeriodicSite: Li (12.87, 16.01, 0.6273) [0.6334, 0.7883, 0.03089]\n", + " PeriodicSite: Li (10.92, 18.15, 11.35) [0.5375, 0.8934, 0.5586]\n", + " PeriodicSite: Li (5.215, 3.509, 18.7) [0.2567, 0.1727, 0.9207]\n", + " PeriodicSite: Li (3.61, 10.01, 13.81) [0.1777, 0.4927, 0.6801]\n", + " PeriodicSite: Li (6.639, 20.27, 3.499) [0.3268, 0.9977, 0.1722]\n", + " PeriodicSite: Li (2.446, 16.01, 14.02) [0.1204, 0.7883, 0.6901]\n", + " PeriodicSite: Li (13.66, 8.138, 4.455) [0.6723, 0.4006, 0.2193]\n", + " PeriodicSite: Li (13.7, 9.896, 13.37) [0.6745, 0.4872, 0.6582]\n", + " PeriodicSite: Li (13.02, 18.1, 5.166) [0.6409, 0.891, 0.2543]\n", + " PeriodicSite: Li (18.24, 4.96, 14.53) [0.8981, 0.2442, 0.7153]\n", + " PeriodicSite: Li (9.269, 2.028, 1.091) [0.4563, 0.09986, 0.05373]\n", + " PeriodicSite: Li (9.836, 2.087, 11.64) [0.4842, 0.1028, 0.573]\n", + " PeriodicSite: Li (6.832, 11.99, 5.206) [0.3364, 0.5905, 0.2563]\n", + " PeriodicSite: Li (6.622, 12.33, 14.94) [0.326, 0.607, 0.7357]\n", + " PeriodicSite: Li (18.35, 4.528, 3.408) [0.9035, 0.2229, 0.1678]\n", + " PeriodicSite: Li (13.33, 4.802, 8.543) [0.6562, 0.2364, 0.4206]\n", + " PeriodicSite: Li (19.96, 13.84, 2.816) [0.9826, 0.6815, 0.1387]\n", + " PeriodicSite: Li (17.74, 10.48, 13.54) [0.8736, 0.5158, 0.6665]\n", + " PeriodicSite: Li (5.702, 18.26, 5.612) [0.2807, 0.8989, 0.2763]\n", + " PeriodicSite: Li (8.421, 3.591, 14.66) [0.4146, 0.1768, 0.7217]\n", + " PeriodicSite: Li (3.65, 12.98, 19.82) [0.1797, 0.6389, 0.9756]\n", + " PeriodicSite: Li (9.872, 13.31, 13.98) [0.486, 0.655, 0.6882]\n", + " PeriodicSite: Li (13.36, 19.79, 3.247) [0.6576, 0.9741, 0.1599]\n", + " PeriodicSite: Li (19.82, 1.873, 11.2) [0.976, 0.09221, 0.5515]\n", + " PeriodicSite: Li (17.78, 13.64, 0.4546) [0.8751, 0.6717, 0.02238]\n", + " PeriodicSite: Li (17.38, 15.2, 12.19) [0.8555, 0.7485, 0.6]\n", + " PeriodicSite: Li (8.175, 3.09, 4.926) [0.4025, 0.1521, 0.2425]\n", + " PeriodicSite: Li (8.024, 0.3557, 11.77) [0.395, 0.01751, 0.5796]\n", + " PeriodicSite: Li (9.516, 13.08, 3.42) [0.4685, 0.6439, 0.1684]\n", + " PeriodicSite: Li (4.246, 13.71, 11.72) [0.209, 0.6748, 0.5769]\n", + " PeriodicSite: Li (20.14, 2.017, 2.029) [0.9917, 0.0993, 0.09988]\n", + " PeriodicSite: Li (0.6096, 7.846, 12.3) [0.03001, 0.3863, 0.6055]\n", + " PeriodicSite: Li (15.9, 13.97, 2.77) [0.7825, 0.6878, 0.1364]\n", + " PeriodicSite: Li (16.08, 12.26, 14.53) [0.7916, 0.6037, 0.7152]\n", + " PeriodicSite: Li (3.111, 19.76, 6.783) [0.1532, 0.9729, 0.3339]\n", + " PeriodicSite: Li (6.99, 0.9936, 14.36) [0.3441, 0.04891, 0.7067]\n", + " PeriodicSite: Li (4.598, 13.32, 2.068) [0.2264, 0.6559, 0.1018]\n", + " PeriodicSite: Li (8.795, 7.408, 15.83) [0.433, 0.3647, 0.7796]\n", + " PeriodicSite: Li (17.15, 4.091, 0.5472) [0.8441, 0.2014, 0.02695]\n", + " PeriodicSite: Li (15.0, 17.39, 11.97) [0.7386, 0.8564, 0.5891]\n", + " PeriodicSite: Li (14.31, 12.88, 19.82) [0.7043, 0.6343, 0.9756]\n", + " PeriodicSite: Li (18.12, 11.73, 10.48) [0.8921, 0.5774, 0.5158]\n", + " PeriodicSite: Li (7.737, 8.065, 20.09) [0.3809, 0.397, 0.9889]\n", + " PeriodicSite: Li (5.246, 2.324, 12.6) [0.2583, 0.1144, 0.6203]\n", + " PeriodicSite: Li (8.126, 10.81, 1.593) [0.4001, 0.5323, 0.07843]\n", + " PeriodicSite: Li (8.405, 11.9, 9.792) [0.4138, 0.5856, 0.4821]\n", + " PeriodicSite: Li (15.22, 2.704, 2.565) [0.7493, 0.1331, 0.1263]\n", + " PeriodicSite: Li (16.96, 3.751, 11.13) [0.8352, 0.1847, 0.5479]\n", + " PeriodicSite: Li (0.2066, 11.81, 19.2) [0.01017, 0.5814, 0.9451]\n", + " PeriodicSite: Li (18.74, 14.59, 14.41) [0.9224, 0.7185, 0.7093]\n", + " PeriodicSite: Li (5.348, 3.431, 1.447) [0.2633, 0.1689, 0.07125]\n", + " PeriodicSite: Li (7.02, 2.916, 10.03) [0.3456, 0.1436, 0.4939]\n", + " PeriodicSite: Li (7.165, 15.19, 2.538) [0.3527, 0.7478, 0.1249]\n", + " PeriodicSite: Li (4.231, 17.28, 11.39) [0.2083, 0.8508, 0.5606]\n", + " PeriodicSite: Li (18.21, 0.7419, 0.8246) [0.8963, 0.03652, 0.0406]\n", + " PeriodicSite: Li (2.49, 6.615, 14.67) [0.1226, 0.3257, 0.7222]\n", + " PeriodicSite: Li (5.374, 13.53, 8.712) [0.2646, 0.6663, 0.4289]\n", + " PeriodicSite: Li (15.99, 13.44, 11.49) [0.787, 0.6619, 0.5656]\n", + " PeriodicSite: Li (16.95, 11.84, 5.335) [0.8346, 0.5829, 0.2627]\n", + " PeriodicSite: Li (6.271, 8.254, 15.59) [0.3087, 0.4064, 0.7676]\n", + " PeriodicSite: Li (7.353, 14.97, 12.23) [0.362, 0.7371, 0.6023]\n", + " PeriodicSite: Li (1.616, 18.97, 0.5438) [0.07954, 0.9339, 0.02678]\n", + " PeriodicSite: Li (16.51, 9.614, 7.237) [0.8128, 0.4733, 0.3563]\n", + " PeriodicSite: Li (2.943, 5.07, 18.52) [0.1449, 0.2496, 0.9116]\n", + " PeriodicSite: Li (16.98, 2.272, 4.85) [0.8361, 0.1118, 0.2388]\n", + " PeriodicSite: Li (18.38, 19.96, 18.48) [0.905, 0.9825, 0.9098]\n", + " PeriodicSite: Li (5.225, 8.112, 6.929) [0.2572, 0.3994, 0.3411]\n", + " PeriodicSite: Li (7.869, 5.382, 17.72) [0.3874, 0.265, 0.8726]\n", + " PeriodicSite: Li (8.261, 19.56, 8.308) [0.4067, 0.9628, 0.409]\n", + " PeriodicSite: Li (8.296, 15.66, 17.22) [0.4084, 0.7712, 0.8477]\n", + " PeriodicSite: Li (16.94, 6.833, 9.883) [0.8339, 0.3364, 0.4866]\n", + " PeriodicSite: Li (19.38, 8.182, 19.78) [0.9539, 0.4028, 0.9738]\n", + " PeriodicSite: Li (17.56, 19.95, 6.956) [0.8644, 0.9821, 0.3425]\n", + " PeriodicSite: Li (20.17, 16.67, 17.44) [0.9929, 0.8207, 0.8587]\n", + " PeriodicSite: Li (7.031, 5.457, 8.428) [0.3461, 0.2687, 0.4149]\n", + " PeriodicSite: Li (3.367, 1.742, 15.58) [0.1658, 0.08574, 0.767]\n", + " PeriodicSite: Li (7.51, 16.12, 9.585) [0.3697, 0.7938, 0.4719]\n", + " PeriodicSite: Li (17.32, 10.05, 17.52) [0.8526, 0.4948, 0.8628]\n", + " PeriodicSite: Li (19.89, 8.823, 8.447) [0.9792, 0.4344, 0.4158]\n", + " PeriodicSite: Li (16.21, 5.639, 18.37) [0.798, 0.2776, 0.9046]\n", + " PeriodicSite: Li (15.43, 17.26, 8.72) [0.7596, 0.8495, 0.4293]\n", + " PeriodicSite: Li (15.66, 15.07, 18.28) [0.7708, 0.7419, 0.8997]\n", + " PeriodicSite: Li (8.689, 8.762, 9.248) [0.4278, 0.4314, 0.4553]\n", + " PeriodicSite: Li (6.392, 6.079, 1.449) [0.3147, 0.2993, 0.07133]\n", + " PeriodicSite: Li (4.907, 16.97, 8.393) [0.2416, 0.8352, 0.4132]\n", + " PeriodicSite: Li (6.763, 13.58, 0.1183) [0.333, 0.6688, 0.005825]\n", + " PeriodicSite: Li (15.24, 7.057, 7.714) [0.7505, 0.3474, 0.3798]\n", + " PeriodicSite: Li (19.82, 6.916, 16.57) [0.9757, 0.3405, 0.8158]\n", + " PeriodicSite: Li (16.08, 18.07, 5.906) [0.7917, 0.8898, 0.2908]\n", + " PeriodicSite: Li (15.76, 18.14, 16.11) [0.7759, 0.8933, 0.7932]\n", + " PeriodicSite: Li (7.05, 4.854, 12.24) [0.3471, 0.239, 0.6026]\n", + " PeriodicSite: Li (5.249, 7.007, 18.9) [0.2584, 0.3449, 0.9305]\n", + " PeriodicSite: Li (9.649, 17.34, 7.027) [0.475, 0.8535, 0.3459]\n", + " PeriodicSite: Li (12.53, 18.82, 0.3681) [0.617, 0.9267, 0.01812]\n", + " PeriodicSite: Li (16.69, 8.171, 5.371) [0.8216, 0.4023, 0.2644]\n", + " PeriodicSite: Li (15.25, 6.829, 1.521) [0.7505, 0.3362, 0.07488]\n", + " PeriodicSite: Li (18.47, 18.58, 10.01) [0.9095, 0.9148, 0.4927]\n", + " PeriodicSite: Li (16.56, 20.19, 2.949) [0.8151, 0.9941, 0.1452]\n", + " PeriodicSite: Li (5.681, 10.84, 3.061) [0.2797, 0.5337, 0.1507]\n", + " PeriodicSite: Li (9.89, 8.543, 18.44) [0.4869, 0.4206, 0.908]\n", + " PeriodicSite: Li (7.651, 15.78, 6.05) [0.3767, 0.7768, 0.2978]\n", + " PeriodicSite: Li (4.748, 0.9586, 17.62) [0.2337, 0.04719, 0.8676]\n", + " PeriodicSite: Li (19.43, 7.596, 5.942) [0.9567, 0.3739, 0.2925]\n", + " PeriodicSite: Li (18.51, 10.76, 2.009) [0.9111, 0.5296, 0.09893]\n", + " PeriodicSite: Li (2.916, 15.7, 1.463) [0.1435, 0.7731, 0.07201]\n", + " PeriodicSite: Li (14.2, 1.953, 13.61) [0.6989, 0.09615, 0.6699]\n", + " PeriodicSite: Cl (7.565, 12.61, 12.83) [0.3724, 0.621, 0.6318]\n", + " PeriodicSite: Cl (2.48, 12.3, 17.88) [0.1221, 0.6057, 0.8802]\n", + " PeriodicSite: Cl (12.6, 17.45, 13.05) [0.6204, 0.8593, 0.6424]\n", + " PeriodicSite: Cl (17.87, 7.625, 17.4) [0.8796, 0.3754, 0.8569]\n", + " PeriodicSite: Cl (7.177, 2.731, 2.766) [0.3533, 0.1345, 0.1362]\n", + " PeriodicSite: Cl (7.778, 7.834, 7.301) [0.3829, 0.3857, 0.3594]\n", + " PeriodicSite: Cl (12.92, 12.6, 7.325) [0.6362, 0.6201, 0.3606]\n", + " PeriodicSite: Cl (2.573, 7.615, 2.859) [0.1267, 0.3749, 0.1408]\n", + " PeriodicSite: Cl (3.114, 7.979, 12.78) [0.1533, 0.3928, 0.629]\n", + " PeriodicSite: Cl (12.49, 12.98, 17.96) [0.615, 0.6389, 0.8841]\n", + " PeriodicSite: Cl (17.85, 17.66, 18.16) [0.8786, 0.8696, 0.894]\n", + " PeriodicSite: Cl (2.043, 2.948, 7.457) [0.1006, 0.1451, 0.3671]\n", + " PeriodicSite: Cl (12.77, 2.363, 17.49) [0.6286, 0.1163, 0.8612]\n", + " PeriodicSite: Cl (12.87, 7.53, 2.34) [0.6335, 0.3707, 0.1152]\n", + " PeriodicSite: Cl (17.94, 2.748, 13.19) [0.8833, 0.1353, 0.6494]\n", + " PeriodicSite: Cl (8.037, 17.77, 17.36) [0.3957, 0.8749, 0.8544]\n", + " PeriodicSite: Cl (20.25, 0.1406, 20.24) [0.9967, 0.006915, 0.9962]\n", + " PeriodicSite: Cl (20.18, 20.18, 10.0) [0.9936, 0.9934, 0.4924]\n", + " PeriodicSite: Cl (20.17, 9.986, 0.5877) [0.993, 0.4916, 0.02894]\n", + " PeriodicSite: Cl (0.06631, 10.53, 10.27) [0.003263, 0.5185, 0.5055]\n", + " PeriodicSite: Cl (10.15, 20.28, 20.17) [0.4999, 0.9985, 0.9929]\n", + " PeriodicSite: Cl (10.39, 0.3253, 10.12) [0.5114, 0.01601, 0.4982]\n", + " PeriodicSite: Cl (9.72, 10.42, 19.99) [0.4785, 0.5128, 0.9843]\n", + " PeriodicSite: Cl (10.1, 10.31, 9.848) [0.4971, 0.5075, 0.4848]\n", + " PeriodicSite: Cl (20.3, 5.033, 5.106) [0.9994, 0.2478, 0.2514]\n", + " PeriodicSite: Cl (0.2097, 5.096, 15.29) [0.01032, 0.2509, 0.7529]\n", + " PeriodicSite: Cl (0.1592, 15.25, 4.696) [0.007834, 0.7506, 0.2312]\n", + " PeriodicSite: Cl (0.3344, 15.23, 15.3) [0.01646, 0.7497, 0.753]\n", + " PeriodicSite: Cl (9.987, 4.903, 5.134) [0.4916, 0.2414, 0.2527]\n", + " PeriodicSite: Cl (10.15, 5.295, 14.83) [0.4997, 0.2607, 0.7299]\n", + " PeriodicSite: Cl (9.897, 14.78, 5.091) [0.4872, 0.7276, 0.2506]\n", + " PeriodicSite: Cl (10.18, 15.34, 15.28) [0.5011, 0.7554, 0.7521]\n", + " PeriodicSite: S (4.823, 0.299, 5.232) [0.2375, 0.01472, 0.2576]\n", + " PeriodicSite: S (4.986, 0.04092, 15.11) [0.2455, 0.002013, 0.7438]\n", + " PeriodicSite: S (5.174, 10.15, 5.341) [0.2547, 0.4995, 0.2629]\n", + " PeriodicSite: S (5.298, 10.38, 15.41) [0.2608, 0.511, 0.7587]\n", + " PeriodicSite: S (14.91, 20.18, 5.246) [0.7341, 0.9934, 0.2582]\n", + " PeriodicSite: S (15.37, 0.2421, 15.32) [0.7566, 0.01191, 0.7544]\n", + " PeriodicSite: S (15.29, 10.24, 5.146) [0.7527, 0.5041, 0.2533]\n", + " PeriodicSite: S (15.24, 10.3, 15.4) [0.7504, 0.5071, 0.758]\n", + " PeriodicSite: S (4.678, 5.099, 0.09019) [0.2303, 0.251, 0.004442]\n", + " PeriodicSite: S (5.517, 5.141, 10.16) [0.2716, 0.2531, 0.5004]\n", + " PeriodicSite: S (4.957, 15.1, 0.3513) [0.244, 0.7435, 0.0173]\n", + " PeriodicSite: S (4.967, 15.27, 10.17) [0.2445, 0.752, 0.5008]\n", + " PeriodicSite: S (14.84, 4.657, 0.1058) [0.7305, 0.2293, 0.005215]\n", + " PeriodicSite: S (15.19, 5.495, 9.783) [0.7477, 0.2705, 0.4816]\n", + " PeriodicSite: S (15.33, 15.24, 0.3937) [0.7549, 0.7504, 0.01939]\n", + " PeriodicSite: S (15.35, 15.38, 10.45) [0.7556, 0.757, 0.5143]\n", + " PeriodicSite: S (8.982, 3.716, 8.606) [0.4422, 0.1829, 0.4237]\n", + " PeriodicSite: S (9.245, 3.806, 18.92) [0.4551, 0.1874, 0.9316]\n", + " PeriodicSite: S (9.252, 14.14, 9.015) [0.4555, 0.6962, 0.4438]\n", + " PeriodicSite: S (8.787, 14.34, 19.11) [0.4326, 0.7061, 0.941]\n", + " PeriodicSite: S (19.07, 3.665, 9.239) [0.9391, 0.1804, 0.4549]\n", + " PeriodicSite: S (18.91, 3.136, 19.33) [0.9307, 0.1544, 0.9517]\n", + " PeriodicSite: S (18.96, 13.95, 9.366) [0.9336, 0.6867, 0.4611]\n", + " PeriodicSite: S (19.31, 13.95, 18.58) [0.9508, 0.6867, 0.9147]\n", + " PeriodicSite: S (3.721, 1.486, 1.454) [0.1832, 0.07318, 0.0716]\n", + " PeriodicSite: S (3.94, 1.477, 10.83) [0.194, 0.07271, 0.533]\n", + " PeriodicSite: S (3.657, 11.35, 1.44) [0.1801, 0.559, 0.07087]\n", + " PeriodicSite: S (4.149, 11.11, 11.39) [0.2042, 0.5472, 0.5609]\n", + " PeriodicSite: S (13.94, 0.9396, 1.17) [0.6861, 0.04625, 0.05759]\n", + " PeriodicSite: S (14.44, 1.546, 11.1) [0.7111, 0.07611, 0.5464]\n", + " PeriodicSite: S (14.18, 11.19, 1.53) [0.6981, 0.5508, 0.07533]\n", + " PeriodicSite: S (14.12, 11.45, 11.33) [0.6954, 0.5637, 0.5576]\n", + " PeriodicSite: S (6.638, 0.9357, 9.02) [0.3268, 0.04606, 0.4441]\n", + " PeriodicSite: S (6.259, 1.49, 19.48) [0.3081, 0.07334, 0.9589]\n", + " PeriodicSite: S (6.355, 11.11, 8.74) [0.3128, 0.547, 0.4303]\n", + " PeriodicSite: S (6.076, 11.56, 19.27) [0.2991, 0.5693, 0.9488]\n", + " PeriodicSite: S (16.35, 1.029, 8.57) [0.805, 0.05066, 0.4219]\n", + " PeriodicSite: S (16.42, 1.265, 19.24) [0.8083, 0.06225, 0.9474]\n", + " PeriodicSite: S (16.1, 11.55, 8.889) [0.7928, 0.5684, 0.4376]\n", + " PeriodicSite: S (16.28, 11.22, 19.26) [0.8016, 0.5525, 0.9481]\n", + " PeriodicSite: S (0.9715, 3.878, 1.367) [0.04783, 0.1909, 0.0673]\n", + " PeriodicSite: S (1.175, 3.547, 11.48) [0.05783, 0.1746, 0.5653]\n", + " PeriodicSite: S (1.176, 13.53, 0.6716) [0.05788, 0.6659, 0.03306]\n", + " PeriodicSite: S (1.429, 14.23, 11.35) [0.07033, 0.7005, 0.5587]\n", + " PeriodicSite: S (11.26, 3.834, 1.121) [0.5543, 0.1888, 0.05519]\n", + " PeriodicSite: S (11.31, 3.884, 11.23) [0.5566, 0.1912, 0.5529]\n", + " PeriodicSite: S (11.06, 14.36, 1.29) [0.5445, 0.7071, 0.06349]\n", + " PeriodicSite: S (11.27, 13.81, 11.6) [0.5547, 0.6798, 0.571]\n", + " PeriodicSite: S (2.966, 2.762, 17.91) [0.146, 0.136, 0.8816]\n", + " PeriodicSite: S (2.508, 12.41, 7.771) [0.1235, 0.6111, 0.3826]\n", + " PeriodicSite: S (12.79, 2.637, 7.474) [0.6298, 0.1298, 0.368]\n", + " PeriodicSite: S (8.891, 9.082, 3.334) [0.4377, 0.4471, 0.1641]\n", + " PeriodicSite: S (8.867, 9.244, 14.04) [0.4366, 0.4551, 0.6914]\n", + " PeriodicSite: S (8.802, 18.6, 4.352) [0.4333, 0.9155, 0.2143]\n", + " PeriodicSite: S (9.035, 19.44, 13.45) [0.4448, 0.9568, 0.6623]\n", + " PeriodicSite: S (18.64, 9.187, 4.082) [0.9175, 0.4523, 0.201]\n", + " PeriodicSite: S (19.43, 8.809, 14.08) [0.9564, 0.4337, 0.693]\n", + " PeriodicSite: S (18.85, 19.1, 3.815) [0.928, 0.9401, 0.1878]\n", + " PeriodicSite: S (19.07, 19.37, 14.33) [0.9389, 0.9535, 0.7057]\n", + " PeriodicSite: S (3.864, 6.547, 6.26) [0.1902, 0.3223, 0.3082]\n", + " PeriodicSite: S (4.197, 6.418, 16.55) [0.2066, 0.316, 0.8149]\n", + " PeriodicSite: S (3.575, 16.09, 6.576) [0.176, 0.792, 0.3237]\n", + " PeriodicSite: S (4.271, 16.5, 16.6) [0.2103, 0.8125, 0.8173]\n", + " PeriodicSite: S (13.76, 6.155, 6.089) [0.6772, 0.303, 0.2998]\n", + " PeriodicSite: S (14.57, 6.777, 16.66) [0.7171, 0.3336, 0.82]\n", + " PeriodicSite: S (14.2, 16.33, 6.468) [0.6991, 0.8037, 0.3184]\n", + " PeriodicSite: S (14.42, 16.36, 16.77) [0.7097, 0.8055, 0.8257]\n", + " PeriodicSite: S (6.283, 6.434, 3.776) [0.3093, 0.3168, 0.1859]\n", + " PeriodicSite: S (6.595, 6.214, 14.17) [0.3247, 0.3059, 0.6978]\n", + " PeriodicSite: S (5.646, 16.58, 3.949) [0.278, 0.8163, 0.1944]\n", + " PeriodicSite: S (6.377, 16.42, 13.97) [0.314, 0.8086, 0.6876]\n", + " PeriodicSite: S (16.28, 6.072, 3.829) [0.8016, 0.2989, 0.1885]\n", + " PeriodicSite: S (16.44, 6.448, 13.89) [0.8093, 0.3174, 0.6838]\n", + " PeriodicSite: S (16.39, 16.31, 3.856) [0.8069, 0.803, 0.1898]\n", + " PeriodicSite: S (16.22, 16.49, 13.88) [0.7984, 0.8118, 0.6832]\n", + " PeriodicSite: S (0.9722, 9.132, 6.499) [0.04786, 0.4496, 0.3199]\n", + " PeriodicSite: S (0.9744, 8.87, 16.75) [0.04797, 0.4367, 0.8246]\n", + " PeriodicSite: S (0.6672, 18.91, 6.222) [0.03284, 0.9308, 0.3063]\n", + " PeriodicSite: S (1.2, 18.78, 16.46) [0.05907, 0.9245, 0.8105]\n", + " PeriodicSite: S (11.46, 8.806, 5.63) [0.5643, 0.4335, 0.2772]\n", + " PeriodicSite: S (11.15, 8.951, 16.45) [0.5489, 0.4407, 0.8101]\n", + " PeriodicSite: S (11.17, 19.03, 6.669) [0.5498, 0.9367, 0.3283]\n", + " PeriodicSite: S (11.54, 19.34, 16.07) [0.5679, 0.9522, 0.7912]\n", + " PeriodicSite: S (2.423, 17.67, 2.374) [0.1193, 0.8697, 0.1169]\n", + " PeriodicSite: S (2.549, 18.09, 12.74) [0.1255, 0.8906, 0.627]\n", + " PeriodicSite: S (12.67, 7.831, 12.78) [0.6236, 0.3855, 0.6293]\n", + " PeriodicSite: S (12.7, 17.54, 2.483) [0.6251, 0.8633, 0.1223]\n", + " PeriodicSite: S (3.562, 4.358, 3.9) [0.1754, 0.2145, 0.192]\n", + " PeriodicSite: S (4.134, 3.993, 14.01) [0.2035, 0.1966, 0.6896]\n", + " PeriodicSite: S (3.435, 14.02, 4.067) [0.1691, 0.6901, 0.2002]\n", + " PeriodicSite: S (4.016, 13.99, 14.27) [0.1977, 0.6887, 0.7026]\n", + " PeriodicSite: S (13.82, 3.861, 3.896) [0.6803, 0.1901, 0.1918]\n", + " PeriodicSite: S (13.86, 4.445, 14.03) [0.6822, 0.2188, 0.6905]\n", + " PeriodicSite: S (13.97, 14.13, 3.933) [0.6878, 0.6954, 0.1936]\n", + " PeriodicSite: S (14.11, 14.0, 14.15) [0.6948, 0.6894, 0.6965]\n", + " PeriodicSite: S (8.804, 1.091, 6.123) [0.4335, 0.05371, 0.3014]\n", + " PeriodicSite: S (9.589, 1.6, 15.89) [0.4721, 0.07874, 0.7824]\n", + " PeriodicSite: S (9.02, 10.96, 6.126) [0.4441, 0.5397, 0.3016]\n", + " PeriodicSite: S (9.049, 11.63, 16.39) [0.4455, 0.5728, 0.807]\n", + " PeriodicSite: S (19.2, 1.499, 5.723) [0.9454, 0.07381, 0.2818]\n", + " PeriodicSite: S (19.67, 1.185, 16.87) [0.9685, 0.05833, 0.8303]\n", + " PeriodicSite: S (18.85, 11.16, 6.745) [0.9279, 0.5494, 0.3321]\n", + " PeriodicSite: S (18.99, 11.39, 16.32) [0.9349, 0.5605, 0.8034]\n", + " PeriodicSite: S (1.248, 0.6403, 3.64) [0.06142, 0.03152, 0.1792]\n", + " PeriodicSite: S (1.496, 1.005, 14.15) [0.07364, 0.04949, 0.6966]\n", + " PeriodicSite: S (0.6804, 11.55, 4.126) [0.0335, 0.5689, 0.2031]\n", + " PeriodicSite: S (1.31, 11.16, 14.34) [0.06447, 0.5495, 0.706]\n", + " PeriodicSite: S (11.14, 0.5974, 3.794) [0.5484, 0.0294, 0.1868]\n", + " PeriodicSite: S (11.69, 1.04, 13.3) [0.5756, 0.0512, 0.6545]\n", + " PeriodicSite: S (11.16, 11.41, 3.479) [0.5493, 0.5618, 0.1713]\n", + " PeriodicSite: S (11.43, 11.24, 14.09) [0.5625, 0.5533, 0.6935]\n", + " PeriodicSite: S (6.095, 4.039, 6.309) [0.3001, 0.1988, 0.3106]\n", + " PeriodicSite: S (6.499, 3.691, 16.45) [0.32, 0.1817, 0.8099]\n", + " PeriodicSite: S (5.981, 13.86, 6.233) [0.2944, 0.6822, 0.3069]\n", + " PeriodicSite: S (6.45, 14.13, 16.43) [0.3176, 0.6958, 0.8089]\n", + " PeriodicSite: S (16.07, 3.872, 6.321) [0.7911, 0.1906, 0.3112]\n", + " PeriodicSite: S (16.66, 4.279, 16.33) [0.82, 0.2106, 0.8038]\n", + " PeriodicSite: S (16.45, 13.99, 6.354) [0.81, 0.6888, 0.3128]\n", + " PeriodicSite: S (16.82, 14.18, 16.17) [0.8282, 0.6982, 0.796]\n", + " PeriodicSite: S (7.481, 2.479, 12.51) [0.3683, 0.1221, 0.616]\n", + " PeriodicSite: S (7.17, 12.73, 2.508) [0.353, 0.6268, 0.1235]\n", + " PeriodicSite: S (17.67, 2.245, 2.594) [0.87, 0.1105, 0.1277]\n", + " PeriodicSite: S (17.8, 12.79, 2.958) [0.8761, 0.6296, 0.1456]\n", + " PeriodicSite: S (18.08, 12.88, 12.78) [0.89, 0.6341, 0.6293]\n", + " PeriodicSite: S (4.072, 8.809, 8.987) [0.2005, 0.4337, 0.4425]\n", + " PeriodicSite: S (3.876, 8.765, 19.41) [0.1908, 0.4315, 0.9554]\n", + " PeriodicSite: S (3.775, 19.03, 8.88) [0.1859, 0.9369, 0.4372]\n", + " PeriodicSite: S (3.85, 19.52, 19.22) [0.1895, 0.9612, 0.9463]\n", + " PeriodicSite: S (14.05, 8.93, 8.965) [0.6919, 0.4396, 0.4414]\n", + " PeriodicSite: S (13.93, 8.856, 19.4) [0.6858, 0.436, 0.9552]\n", + " PeriodicSite: S (13.9, 19.14, 9.163) [0.6844, 0.9423, 0.4511]\n", + " PeriodicSite: S (14.27, 18.98, 18.84) [0.7025, 0.9342, 0.9274]\n", + " PeriodicSite: S (8.796, 6.368, 1.096) [0.433, 0.3135, 0.05397]\n", + " PeriodicSite: S (8.958, 6.15, 11.02) [0.441, 0.3028, 0.5427]\n", + " PeriodicSite: S (8.519, 16.8, 0.8567) [0.4194, 0.8269, 0.04218]\n", + " PeriodicSite: S (9.003, 16.55, 11.33) [0.4432, 0.815, 0.5576]\n", + " PeriodicSite: S (18.55, 6.044, 0.8158) [0.9132, 0.2975, 0.04017]\n", + " PeriodicSite: S (19.03, 6.032, 11.71) [0.9368, 0.297, 0.5764]\n", + " PeriodicSite: S (19.08, 15.78, 1.089) [0.9394, 0.777, 0.05361]\n", + " PeriodicSite: S (19.33, 16.54, 11.68) [0.9517, 0.8144, 0.575]\n", + " PeriodicSite: S (1.286, 6.196, 9.481) [0.06329, 0.305, 0.4668]\n", + " PeriodicSite: S (0.8481, 5.704, 18.88) [0.04175, 0.2808, 0.9297]\n", + " PeriodicSite: S (0.7818, 16.36, 8.767) [0.03848, 0.8055, 0.4316]\n", + " PeriodicSite: S (1.337, 16.4, 19.3) [0.06583, 0.8076, 0.9503]\n", + " PeriodicSite: S (11.28, 6.293, 8.797) [0.5555, 0.3098, 0.4331]\n", + " PeriodicSite: S (11.14, 6.467, 19.26) [0.5486, 0.3184, 0.9482]\n", + " PeriodicSite: S (11.74, 16.34, 9.507) [0.5779, 0.8047, 0.4681]\n", + " PeriodicSite: S (11.12, 16.78, 19.11) [0.5473, 0.8259, 0.9407]\n", + " PeriodicSite: S (6.049, 9.04, 1.372) [0.2978, 0.445, 0.06756]\n", + " PeriodicSite: S (6.549, 8.834, 11.14) [0.3224, 0.4349, 0.5484]\n", + " PeriodicSite: S (5.935, 19.32, 1.478) [0.2922, 0.9513, 0.07278]\n", + " PeriodicSite: S (5.827, 19.33, 11.6) [0.2868, 0.9514, 0.5712]\n", + " PeriodicSite: S (16.57, 8.836, 1.345) [0.816, 0.435, 0.06623]\n", + " PeriodicSite: S (16.62, 9.098, 11.14) [0.818, 0.4479, 0.5484]\n", + " PeriodicSite: S (16.68, 18.92, 1.027) [0.8212, 0.9312, 0.05055]\n", + " PeriodicSite: S (16.57, 19.35, 11.49) [0.816, 0.9528, 0.5657]\n", + " PeriodicSite: S (7.358, 7.71, 17.83) [0.3622, 0.3796, 0.8777]\n", + " PeriodicSite: S (7.35, 17.56, 7.659) [0.3618, 0.8647, 0.377]\n", + " PeriodicSite: S (17.69, 7.394, 7.527) [0.8709, 0.364, 0.3706]\n", + " PeriodicSite: S (17.56, 17.79, 7.934) [0.8645, 0.876, 0.3906]\n", + " PeriodicSite: P (4.963, 0.3451, 0.2146) [0.2443, 0.01699, 0.01057]\n", + " PeriodicSite: P (5.018, 20.29, 9.975) [0.247, 0.9987, 0.4911]\n", + " PeriodicSite: P (4.863, 10.21, 0.1369) [0.2394, 0.5024, 0.006743]\n", + " PeriodicSite: P (5.283, 10.06, 10.12) [0.2601, 0.4952, 0.4984]\n", + " PeriodicSite: P (15.28, 20.17, 20.22) [0.7523, 0.9932, 0.9956]\n", + " PeriodicSite: P (15.4, 0.06389, 10.09) [0.7582, 0.003139, 0.4968]\n", + " PeriodicSite: P (15.3, 9.938, 0.2137) [0.7531, 0.4893, 0.01053]\n", + " PeriodicSite: P (15.32, 10.26, 10.19) [0.7541, 0.505, 0.5016]\n", + " PeriodicSite: P (5.047, 5.322, 4.936) [0.2484, 0.262, 0.243]\n", + " PeriodicSite: P (5.343, 5.02, 15.3) [0.2631, 0.2471, 0.7531]\n", + " PeriodicSite: P (4.702, 15.18, 5.231) [0.2315, 0.7475, 0.2575]\n", + " PeriodicSite: P (5.271, 15.28, 15.21) [0.2595, 0.7521, 0.7489]\n", + " PeriodicSite: P (15.03, 5.01, 5.071) [0.7402, 0.2467, 0.2497]\n", + " PeriodicSite: P (15.29, 5.379, 15.21) [0.7527, 0.2648, 0.749]\n", + " PeriodicSite: P (15.29, 15.2, 5.255) [0.7529, 0.7484, 0.2587]\n", + " PeriodicSite: P (15.36, 15.2, 15.24) [0.756, 0.7484, 0.7503]\n", + " PeriodicSite: P (20.14, 20.19, 4.859) [0.9913, 0.9939, 0.2392]\n", + " PeriodicSite: P (0.2045, 20.31, 15.46) [0.01006, 0.9997, 0.7611]\n", + " PeriodicSite: P (20.0, 10.25, 5.321) [0.9846, 0.5048, 0.262]\n", + " PeriodicSite: P (20.27, 10.07, 15.52) [0.9981, 0.496, 0.7638]\n", + " PeriodicSite: P (10.07, 19.98, 5.106) [0.4959, 0.9838, 0.2514]\n", + " PeriodicSite: P (10.45, 0.212, 14.65) [0.5145, 0.01044, 0.7214]\n", + " PeriodicSite: P (10.11, 10.14, 4.538) [0.4975, 0.4994, 0.2234]\n", + " PeriodicSite: P (10.13, 10.31, 15.36) [0.4989, 0.5074, 0.7561]\n", + " PeriodicSite: P (19.96, 4.769, 20.26) [0.9829, 0.2348, 0.9973]\n", + " PeriodicSite: P (20.27, 4.895, 10.49) [0.9979, 0.241, 0.5166]\n", + " PeriodicSite: P (0.0649, 14.96, 20.05) [0.003194, 0.7364, 0.9873]\n", + " PeriodicSite: P (20.29, 15.23, 10.33) [0.999, 0.7499, 0.5084]\n", + " PeriodicSite: P (10.14, 5.035, 20.24) [0.4993, 0.2479, 0.9964]\n", + " PeriodicSite: P (10.12, 4.995, 9.876) [0.498, 0.2459, 0.4862]\n", + " PeriodicSite: P (9.979, 15.63, 20.31) [0.4913, 0.7695, 1.0]\n", + " PeriodicSite: P (10.38, 15.19, 10.32) [0.511, 0.748, 0.5082],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.774, 6.609, 4.866) [0.08733, 0.3254, 0.2396]\n", + " PeriodicSite: Li (0.1932, 3.198, 13.65) [0.009512, 0.1575, 0.6722]\n", + " PeriodicSite: Li (0.265, 12.33, 8.392) [0.01304, 0.6068, 0.4132]\n", + " PeriodicSite: Li (1.098, 12.94, 16.35) [0.05406, 0.6372, 0.8051]\n", + " PeriodicSite: Li (14.45, 0.4966, 7.357) [0.7113, 0.02444, 0.3622]\n", + " PeriodicSite: Li (11.61, 3.104, 15.9) [0.5718, 0.1528, 0.7828]\n", + " PeriodicSite: Li (13.89, 12.07, 4.73) [0.684, 0.5944, 0.2329]\n", + " PeriodicSite: Li (15.87, 8.078, 15.43) [0.7813, 0.3977, 0.7595]\n", + " PeriodicSite: Li (4.857, 4.85, 7.639) [0.2391, 0.2388, 0.3761]\n", + " PeriodicSite: Li (2.87, 2.954, 20.19) [0.1413, 0.1454, 0.9941]\n", + " PeriodicSite: Li (4.173, 8.11, 4.362) [0.2054, 0.3993, 0.2148]\n", + " PeriodicSite: Li (7.354, 9.998, 17.32) [0.362, 0.4922, 0.8527]\n", + " PeriodicSite: Li (12.32, 4.677, 5.819) [0.6067, 0.2303, 0.2865]\n", + " PeriodicSite: Li (13.34, 0.08325, 16.58) [0.657, 0.004094, 0.8162]\n", + " PeriodicSite: Li (10.94, 10.03, 12.46) [0.5385, 0.4938, 0.6132]\n", + " PeriodicSite: Li (9.399, 18.58, 18.84) [0.4627, 0.9149, 0.9273]\n", + " PeriodicSite: Li (6.181, 1.718, 6.288) [0.3043, 0.08459, 0.3096]\n", + " PeriodicSite: Li (4.266, 19.69, 12.92) [0.21, 0.9695, 0.6359]\n", + " PeriodicSite: Li (2.785, 10.86, 5.894) [0.1371, 0.5348, 0.2902]\n", + " PeriodicSite: Li (6.589, 9.69, 13.8) [0.3244, 0.477, 0.6792]\n", + " PeriodicSite: Li (12.36, 1.632, 9.916) [0.6087, 0.08033, 0.4882]\n", + " PeriodicSite: Li (10.43, 1.346, 18.36) [0.5133, 0.06624, 0.9039]\n", + " PeriodicSite: Li (14.74, 13.64, 8.445) [0.7257, 0.6717, 0.4158]\n", + " PeriodicSite: Li (12.33, 9.384, 1.265) [0.6068, 0.462, 0.0623]\n", + " PeriodicSite: Li (0.6465, 4.282, 7.668) [0.03183, 0.2108, 0.3775]\n", + " PeriodicSite: Li (0.5622, 2.955, 16.93) [0.02768, 0.1455, 0.8335]\n", + " PeriodicSite: Li (1.843, 13.87, 6.058) [0.09074, 0.6827, 0.2982]\n", + " PeriodicSite: Li (3.831, 16.23, 18.58) [0.1886, 0.7991, 0.9145]\n", + " PeriodicSite: Li (13.1, 1.803, 5.269) [0.645, 0.08877, 0.2594]\n", + " PeriodicSite: Li (16.14, 1.634, 16.61) [0.7946, 0.08045, 0.8175]\n", + " PeriodicSite: Li (12.19, 11.56, 9.837) [0.6001, 0.5692, 0.4843]\n", + " PeriodicSite: Li (17.34, 16.57, 20.17) [0.8535, 0.8158, 0.9931]\n", + " PeriodicSite: Li (4.735, 1.812, 3.64) [0.2331, 0.08922, 0.1792]\n", + " PeriodicSite: Li (19.97, 17.73, 2.543) [0.9831, 0.8727, 0.1252]\n", + " PeriodicSite: Li (3.018, 14.64, 9.206) [0.1486, 0.7207, 0.4532]\n", + " PeriodicSite: Li (0.1681, 17.34, 13.2) [0.008273, 0.8538, 0.6498]\n", + " PeriodicSite: Li (15.14, 3.035, 8.462) [0.7453, 0.1494, 0.4166]\n", + " PeriodicSite: Li (13.7, 6.023, 19.19) [0.6745, 0.2965, 0.9446]\n", + " PeriodicSite: Li (17.38, 15.31, 8.293) [0.8557, 0.7536, 0.4083]\n", + " PeriodicSite: Li (10.35, 12.61, 18.84) [0.5095, 0.6207, 0.9275]\n", + " PeriodicSite: Li (1.268, 2.828, 5.041) [0.06243, 0.1392, 0.2482]\n", + " PeriodicSite: Li (2.123, 0.3732, 17.77) [0.1045, 0.01837, 0.8747]\n", + " PeriodicSite: Li (4.965, 11.8, 6.862) [0.2444, 0.5809, 0.3378]\n", + " PeriodicSite: Li (18.21, 14.68, 4.057) [0.8965, 0.7225, 0.1997]\n", + " PeriodicSite: Li (10.41, 2.228, 7.298) [0.5123, 0.1097, 0.3593]\n", + " PeriodicSite: Li (16.94, 20.09, 13.52) [0.8342, 0.9888, 0.6658]\n", + " PeriodicSite: Li (13.0, 10.41, 6.881) [0.6399, 0.5127, 0.3388]\n", + " PeriodicSite: Li (13.95, 9.538, 17.09) [0.6866, 0.4696, 0.8413]\n", + " PeriodicSite: Li (4.963, 12.65, 16.4) [0.2443, 0.6229, 0.8074]\n", + " PeriodicSite: Li (2.391, 11.15, 9.657) [0.1177, 0.5488, 0.4754]\n", + " PeriodicSite: Li (2.007, 16.33, 4.589) [0.09879, 0.8039, 0.2259]\n", + " PeriodicSite: Li (0.2175, 0.879, 8.297) [0.01071, 0.04328, 0.4085]\n", + " PeriodicSite: Li (13.06, 4.995, 1.897) [0.643, 0.2459, 0.09339]\n", + " PeriodicSite: Li (12.15, 7.464, 15.1) [0.5983, 0.3674, 0.7433]\n", + " PeriodicSite: Li (10.34, 13.18, 6.942) [0.5092, 0.6487, 0.3417]\n", + " PeriodicSite: Li (13.42, 18.95, 14.15) [0.6609, 0.9328, 0.6967]\n", + " PeriodicSite: Li (2.613, 6.517, 0.4021) [0.1286, 0.3208, 0.0198]\n", + " PeriodicSite: Li (2.876, 3.623, 10.08) [0.1416, 0.1784, 0.4964]\n", + " PeriodicSite: Li (6.691, 15.95, 19.41) [0.3294, 0.785, 0.9554]\n", + " PeriodicSite: Li (3.087, 18.9, 15.09) [0.152, 0.9304, 0.7429]\n", + " PeriodicSite: Li (13.75, 2.92, 19.53) [0.6768, 0.1438, 0.9617]\n", + " PeriodicSite: Li (11.17, 5.585, 12.71) [0.5499, 0.2749, 0.6256]\n", + " PeriodicSite: Li (11.83, 15.86, 3.142) [0.5823, 0.7808, 0.1547]\n", + " PeriodicSite: Li (10.68, 17.29, 13.87) [0.526, 0.8512, 0.6828]\n", + " PeriodicSite: Li (3.294, 10.43, 16.68) [0.1622, 0.5136, 0.8211]\n", + " PeriodicSite: Li (4.472, 7.152, 10.79) [0.2202, 0.3521, 0.5311]\n", + " PeriodicSite: Li (4.26, 16.94, 1.553) [0.2097, 0.8338, 0.07647]\n", + " PeriodicSite: Li (2.054, 18.13, 10.48) [0.1011, 0.8925, 0.5159]\n", + " PeriodicSite: Li (10.51, 6.987, 2.688) [0.5176, 0.344, 0.1323]\n", + " PeriodicSite: Li (14.12, 5.911, 12.65) [0.695, 0.291, 0.6225]\n", + " PeriodicSite: Li (10.32, 18.65, 2.454) [0.508, 0.9183, 0.1208]\n", + " PeriodicSite: Li (12.96, 15.39, 10.48) [0.6382, 0.7578, 0.5158]\n", + " PeriodicSite: Li (1.568, 10.1, 1.55) [0.0772, 0.4971, 0.07629]\n", + " PeriodicSite: Li (17.87, 5.241, 7.459) [0.8798, 0.258, 0.3672]\n", + " PeriodicSite: Li (3.156, 19.57, 3.352) [0.1553, 0.9635, 0.165]\n", + " PeriodicSite: Li (0.9525, 19.96, 12.56) [0.04689, 0.9827, 0.6183]\n", + " PeriodicSite: Li (9.759, 6.747, 6.818) [0.4804, 0.3322, 0.3357]\n", + " PeriodicSite: Li (13.84, 12.76, 16.14) [0.6816, 0.628, 0.7944]\n", + " PeriodicSite: Li (14.95, 17.59, 2.196) [0.7359, 0.8659, 0.1081]\n", + " PeriodicSite: Li (11.88, 15.27, 16.57) [0.5847, 0.7515, 0.816]\n", + " PeriodicSite: Li (7.357, 9.052, 5.46) [0.3622, 0.4457, 0.2688]\n", + " PeriodicSite: Li (20.26, 12.58, 12.25) [0.9974, 0.6192, 0.603]\n", + " PeriodicSite: Li (19.77, 17.07, 6.643) [0.9735, 0.8403, 0.327]\n", + " PeriodicSite: Li (6.13, 18.39, 15.87) [0.3018, 0.9052, 0.7815]\n", + " PeriodicSite: Li (15.82, 10.78, 2.912) [0.7787, 0.5307, 0.1434]\n", + " PeriodicSite: Li (12.74, 7.438, 10.41) [0.627, 0.3662, 0.5126]\n", + " PeriodicSite: Li (13.02, 15.08, 20.0) [0.641, 0.7423, 0.9845]\n", + " PeriodicSite: Li (11.58, 18.55, 10.53) [0.5703, 0.9131, 0.5183]\n", + " PeriodicSite: Li (5.033, 3.275, 18.63) [0.2478, 0.1612, 0.9171]\n", + " PeriodicSite: Li (3.646, 9.84, 13.44) [0.1795, 0.4844, 0.6617]\n", + " PeriodicSite: Li (6.876, 20.19, 3.691) [0.3385, 0.9939, 0.1817]\n", + " PeriodicSite: Li (2.338, 15.82, 14.29) [0.1151, 0.7788, 0.7036]\n", + " PeriodicSite: Li (13.36, 8.491, 4.226) [0.6575, 0.418, 0.2081]\n", + " PeriodicSite: Li (13.75, 9.663, 13.39) [0.6768, 0.4757, 0.6591]\n", + " PeriodicSite: Li (12.89, 18.43, 4.906) [0.6347, 0.9073, 0.2415]\n", + " PeriodicSite: Li (18.11, 4.625, 14.28) [0.8917, 0.2277, 0.703]\n", + " PeriodicSite: Li (9.123, 2.102, 0.8142) [0.4491, 0.1035, 0.04009]\n", + " PeriodicSite: Li (10.11, 2.175, 11.93) [0.4978, 0.1071, 0.5871]\n", + " PeriodicSite: Li (7.051, 12.6, 4.805) [0.3471, 0.6202, 0.2365]\n", + " PeriodicSite: Li (7.143, 12.17, 15.01) [0.3516, 0.5993, 0.7391]\n", + " PeriodicSite: Li (17.97, 4.543, 3.176) [0.8848, 0.2236, 0.1563]\n", + " PeriodicSite: Li (13.22, 4.863, 8.566) [0.6508, 0.2394, 0.4217]\n", + " PeriodicSite: Li (19.69, 13.07, 2.37) [0.9695, 0.6436, 0.1167]\n", + " PeriodicSite: Li (17.34, 10.42, 13.55) [0.8536, 0.513, 0.6669]\n", + " PeriodicSite: Li (6.014, 18.42, 5.865) [0.2961, 0.907, 0.2887]\n", + " PeriodicSite: Li (8.15, 3.85, 14.76) [0.4013, 0.1895, 0.7264]\n", + " PeriodicSite: Li (3.641, 12.87, 19.86) [0.1793, 0.6337, 0.9776]\n", + " PeriodicSite: Li (9.939, 13.78, 13.16) [0.4893, 0.6784, 0.648]\n", + " PeriodicSite: Li (13.18, 0.1186, 3.228) [0.6489, 0.005831, 0.1589]\n", + " PeriodicSite: Li (19.58, 1.981, 11.02) [0.9641, 0.0975, 0.5424]\n", + " PeriodicSite: Li (17.62, 13.47, 0.3597) [0.8675, 0.663, 0.01772]\n", + " PeriodicSite: Li (17.4, 15.01, 12.09) [0.8567, 0.7391, 0.5951]\n", + " PeriodicSite: Li (7.876, 4.548, 3.81) [0.3877, 0.2239, 0.1876]\n", + " PeriodicSite: Li (7.939, 0.3898, 11.2) [0.3908, 0.01919, 0.5515]\n", + " PeriodicSite: Li (9.768, 13.31, 3.465) [0.4809, 0.6552, 0.1706]\n", + " PeriodicSite: Li (5.044, 13.53, 12.16) [0.2483, 0.6661, 0.5988]\n", + " PeriodicSite: Li (20.17, 1.985, 1.739) [0.9932, 0.09769, 0.0856]\n", + " PeriodicSite: Li (0.5235, 7.965, 12.39) [0.02577, 0.3921, 0.6101]\n", + " PeriodicSite: Li (15.5, 13.99, 2.373) [0.7629, 0.689, 0.1168]\n", + " PeriodicSite: Li (16.16, 12.49, 14.46) [0.7956, 0.6151, 0.7119]\n", + " PeriodicSite: Li (3.21, 0.1838, 6.661) [0.158, 0.009049, 0.3279]\n", + " PeriodicSite: Li (7.463, 0.6386, 14.34) [0.3674, 0.03144, 0.7062]\n", + " PeriodicSite: Li (5.166, 14.0, 2.542) [0.2543, 0.6894, 0.1252]\n", + " PeriodicSite: Li (8.609, 7.221, 15.5) [0.4238, 0.3555, 0.7631]\n", + " PeriodicSite: Li (17.46, 3.673, 0.1894) [0.8595, 0.1808, 0.009331]\n", + " PeriodicSite: Li (14.95, 17.42, 11.61) [0.7359, 0.8575, 0.5718]\n", + " PeriodicSite: Li (14.4, 12.78, 19.54) [0.7089, 0.6293, 0.9621]\n", + " PeriodicSite: Li (17.94, 11.5, 10.7) [0.8832, 0.5663, 0.527]\n", + " PeriodicSite: Li (8.23, 8.26, 20.04) [0.4052, 0.4067, 0.9866]\n", + " PeriodicSite: Li (5.459, 2.013, 13.49) [0.2687, 0.09912, 0.6643]\n", + " PeriodicSite: Li (8.849, 10.99, 2.067) [0.4356, 0.5408, 0.1017]\n", + " PeriodicSite: Li (8.602, 12.4, 10.52) [0.4235, 0.6107, 0.5178]\n", + " PeriodicSite: Li (15.36, 3.144, 2.162) [0.756, 0.1548, 0.1064]\n", + " PeriodicSite: Li (17.38, 4.607, 11.32) [0.8556, 0.2268, 0.5572]\n", + " PeriodicSite: Li (20.09, 11.69, 18.82) [0.9891, 0.5755, 0.9267]\n", + " PeriodicSite: Li (19.0, 13.67, 14.77) [0.9354, 0.6732, 0.7271]\n", + " PeriodicSite: Li (5.027, 3.399, 1.317) [0.2475, 0.1674, 0.06482]\n", + " PeriodicSite: Li (6.351, 2.899, 10.1) [0.3127, 0.1427, 0.4971]\n", + " PeriodicSite: Li (7.289, 15.37, 1.72) [0.3588, 0.7567, 0.08467]\n", + " PeriodicSite: Li (4.721, 16.78, 12.28) [0.2324, 0.8261, 0.6048]\n", + " PeriodicSite: Li (18.21, 0.3452, 0.7413) [0.8967, 0.01699, 0.0365]\n", + " PeriodicSite: Li (2.154, 6.188, 14.58) [0.106, 0.3046, 0.7177]\n", + " PeriodicSite: Li (5.078, 13.24, 9.087) [0.25, 0.6519, 0.4474]\n", + " PeriodicSite: Li (15.39, 13.6, 11.78) [0.7577, 0.6696, 0.5802]\n", + " PeriodicSite: Li (16.84, 11.81, 5.209) [0.8291, 0.5816, 0.2564]\n", + " PeriodicSite: Li (5.279, 8.183, 16.28) [0.2599, 0.4028, 0.8014]\n", + " PeriodicSite: Li (7.21, 14.98, 11.82) [0.355, 0.7375, 0.5821]\n", + " PeriodicSite: Li (2.116, 18.91, 0.5243) [0.1041, 0.931, 0.02581]\n", + " PeriodicSite: Li (16.08, 9.889, 7.571) [0.7915, 0.4868, 0.3727]\n", + " PeriodicSite: Li (2.877, 4.779, 18.28) [0.1416, 0.2353, 0.9]\n", + " PeriodicSite: Li (16.87, 2.266, 4.764) [0.8304, 0.1116, 0.2345]\n", + " PeriodicSite: Li (18.71, 19.8, 18.35) [0.9209, 0.9746, 0.9034]\n", + " PeriodicSite: Li (5.094, 8.941, 7.293) [0.2508, 0.4402, 0.359]\n", + " PeriodicSite: Li (8.012, 5.415, 17.72) [0.3945, 0.2666, 0.8722]\n", + " PeriodicSite: Li (8.727, 19.44, 7.916) [0.4296, 0.9572, 0.3897]\n", + " PeriodicSite: Li (8.367, 15.74, 16.92) [0.4119, 0.7748, 0.8331]\n", + " PeriodicSite: Li (17.15, 6.967, 10.11) [0.8443, 0.343, 0.4979]\n", + " PeriodicSite: Li (18.95, 7.828, 20.01) [0.9327, 0.3854, 0.9849]\n", + " PeriodicSite: Li (17.41, 19.79, 6.979) [0.8571, 0.9743, 0.3436]\n", + " PeriodicSite: Li (0.0127, 16.63, 17.09) [0.0006221, 0.8188, 0.8413]\n", + " PeriodicSite: Li (6.949, 5.716, 9.235) [0.3421, 0.2814, 0.4547]\n", + " PeriodicSite: Li (3.346, 1.894, 15.27) [0.1648, 0.09324, 0.752]\n", + " PeriodicSite: Li (7.501, 16.31, 9.41) [0.3693, 0.8027, 0.4633]\n", + " PeriodicSite: Li (17.37, 10.6, 17.22) [0.8551, 0.5219, 0.8479]\n", + " PeriodicSite: Li (19.49, 9.239, 8.328) [0.9595, 0.4548, 0.41]\n", + " PeriodicSite: Li (16.34, 5.489, 18.55) [0.8043, 0.2702, 0.9131]\n", + " PeriodicSite: Li (15.09, 16.93, 8.59) [0.743, 0.8333, 0.4229]\n", + " PeriodicSite: Li (15.92, 15.69, 18.08) [0.7837, 0.7725, 0.8899]\n", + " PeriodicSite: Li (9.016, 8.393, 9.73) [0.4439, 0.4132, 0.479]\n", + " PeriodicSite: Li (6.354, 5.698, 1.272) [0.3128, 0.2805, 0.06263]\n", + " PeriodicSite: Li (5.292, 17.82, 8.954) [0.2605, 0.8774, 0.4408]\n", + " PeriodicSite: Li (6.914, 13.25, 0.2932) [0.3404, 0.6525, 0.01444]\n", + " PeriodicSite: Li (15.33, 7.224, 8.095) [0.7545, 0.3556, 0.3985]\n", + " PeriodicSite: Li (19.76, 7.237, 16.82) [0.9727, 0.3563, 0.8283]\n", + " PeriodicSite: Li (15.84, 18.32, 5.582) [0.78, 0.902, 0.2748]\n", + " PeriodicSite: Li (16.06, 18.06, 16.12) [0.7906, 0.8889, 0.7934]\n", + " PeriodicSite: Li (6.504, 5.145, 12.04) [0.3202, 0.2533, 0.5926]\n", + " PeriodicSite: Li (5.411, 7.12, 18.7) [0.2664, 0.3505, 0.9205]\n", + " PeriodicSite: Li (10.02, 17.0, 7.224) [0.4933, 0.8369, 0.3556]\n", + " PeriodicSite: Li (12.45, 18.71, 0.2216) [0.6131, 0.921, 0.01092]\n", + " PeriodicSite: Li (16.75, 7.897, 5.04) [0.8248, 0.3888, 0.2481]\n", + " PeriodicSite: Li (15.42, 7.175, 1.553) [0.759, 0.3532, 0.07645]\n", + " PeriodicSite: Li (17.74, 18.33, 9.691) [0.8736, 0.9022, 0.4771]\n", + " PeriodicSite: Li (16.57, 20.31, 3.043) [0.8158, 0.9999, 0.1498]\n", + " PeriodicSite: Li (5.82, 10.84, 2.771) [0.2865, 0.5335, 0.1364]\n", + " PeriodicSite: Li (10.26, 8.198, 18.24) [0.5051, 0.4036, 0.8979]\n", + " PeriodicSite: Li (7.604, 15.99, 5.956) [0.3743, 0.7872, 0.2932]\n", + " PeriodicSite: Li (4.708, 0.7056, 17.76) [0.2318, 0.03473, 0.8742]\n", + " PeriodicSite: Li (19.19, 7.562, 6.214) [0.9447, 0.3723, 0.3059]\n", + " PeriodicSite: Li (18.73, 10.31, 2.02) [0.9221, 0.5075, 0.09944]\n", + " PeriodicSite: Li (2.291, 15.31, 2.1) [0.1128, 0.7539, 0.1034]\n", + " PeriodicSite: Li (14.49, 1.787, 13.56) [0.7135, 0.08799, 0.6677]\n", + " PeriodicSite: Cl (7.581, 12.76, 12.69) [0.3732, 0.6283, 0.6246]\n", + " PeriodicSite: Cl (2.776, 12.37, 17.74) [0.1366, 0.6088, 0.8733]\n", + " PeriodicSite: Cl (12.45, 17.67, 12.41) [0.6129, 0.8701, 0.611]\n", + " PeriodicSite: Cl (17.76, 7.952, 17.93) [0.8741, 0.3915, 0.8825]\n", + " PeriodicSite: Cl (7.075, 2.527, 2.63) [0.3483, 0.1244, 0.1295]\n", + " PeriodicSite: Cl (7.752, 7.653, 7.628) [0.3816, 0.3767, 0.3755]\n", + " PeriodicSite: Cl (12.5, 12.73, 7.849) [0.6154, 0.6268, 0.3864]\n", + " PeriodicSite: Cl (1.848, 7.54, 2.606) [0.09095, 0.3712, 0.1283]\n", + " PeriodicSite: Cl (2.598, 7.412, 12.74) [0.1279, 0.3649, 0.6274]\n", + " PeriodicSite: Cl (12.57, 13.37, 18.14) [0.6188, 0.6584, 0.8931]\n", + " PeriodicSite: Cl (17.66, 17.56, 17.61) [0.8694, 0.8644, 0.8668]\n", + " PeriodicSite: Cl (2.383, 2.807, 7.685) [0.1173, 0.1382, 0.3783]\n", + " PeriodicSite: Cl (12.53, 2.103, 17.9) [0.6167, 0.1035, 0.8813]\n", + " PeriodicSite: Cl (12.93, 7.329, 2.475) [0.6366, 0.3608, 0.1218]\n", + " PeriodicSite: Cl (18.23, 2.937, 12.79) [0.8975, 0.1446, 0.6298]\n", + " PeriodicSite: Cl (7.386, 17.69, 17.79) [0.3636, 0.8709, 0.8758]\n", + " PeriodicSite: Cl (20.22, 20.19, 20.21) [0.9956, 0.994, 0.9952]\n", + " PeriodicSite: Cl (0.2572, 20.06, 10.28) [0.01266, 0.9878, 0.5063]\n", + " PeriodicSite: Cl (20.24, 9.965, 20.28) [0.9965, 0.4906, 0.9984]\n", + " PeriodicSite: Cl (0.1781, 10.69, 10.18) [0.008768, 0.5263, 0.5011]\n", + " PeriodicSite: Cl (10.43, 20.25, 0.1127) [0.5137, 0.9969, 0.005554]\n", + " PeriodicSite: Cl (10.09, 0.3973, 10.02) [0.4968, 0.01955, 0.4934]\n", + " PeriodicSite: Cl (10.31, 9.931, 20.17) [0.5075, 0.4889, 0.9931]\n", + " PeriodicSite: Cl (9.9, 10.45, 10.03) [0.4874, 0.5144, 0.4936]\n", + " PeriodicSite: Cl (20.03, 5.365, 5.856) [0.986, 0.2641, 0.2883]\n", + " PeriodicSite: Cl (0.009788, 5.044, 15.37) [0.0004837, 0.2483, 0.7567]\n", + " PeriodicSite: Cl (20.1, 15.66, 5.041) [0.9895, 0.7707, 0.2482]\n", + " PeriodicSite: Cl (0.356, 15.34, 15.03) [0.01752, 0.7551, 0.7401]\n", + " PeriodicSite: Cl (10.13, 5.257, 5.003) [0.4989, 0.2588, 0.2463]\n", + " PeriodicSite: Cl (10.21, 5.177, 15.02) [0.5025, 0.2548, 0.7394]\n", + " PeriodicSite: Cl (9.86, 15.2, 5.366) [0.4854, 0.7485, 0.2642]\n", + " PeriodicSite: Cl (10.44, 15.14, 14.87) [0.5139, 0.7455, 0.7322]\n", + " PeriodicSite: S (4.874, 20.13, 4.884) [0.2399, 0.9912, 0.2404]\n", + " PeriodicSite: S (5.154, 0.292, 15.06) [0.2537, 0.01438, 0.7415]\n", + " PeriodicSite: S (5.19, 10.07, 5.075) [0.2555, 0.4956, 0.2498]\n", + " PeriodicSite: S (5.319, 10.48, 15.53) [0.2619, 0.5158, 0.7644]\n", + " PeriodicSite: S (15.03, 20.26, 4.997) [0.74, 0.9976, 0.246]\n", + " PeriodicSite: S (15.1, 20.25, 15.07) [0.7436, 0.9969, 0.7421]\n", + " PeriodicSite: S (15.04, 10.22, 5.225) [0.7402, 0.5033, 0.2572]\n", + " PeriodicSite: S (15.27, 10.31, 15.2) [0.7516, 0.5076, 0.7481]\n", + " PeriodicSite: S (4.627, 5.113, 20.04) [0.2278, 0.2517, 0.9866]\n", + " PeriodicSite: S (5.075, 4.843, 9.833) [0.2498, 0.2384, 0.4841]\n", + " PeriodicSite: S (5.048, 15.12, 0.2604) [0.2485, 0.7443, 0.01282]\n", + " PeriodicSite: S (5.456, 15.14, 10.39) [0.2686, 0.7453, 0.5114]\n", + " PeriodicSite: S (15.3, 4.789, 0.2413) [0.7532, 0.2358, 0.01188]\n", + " PeriodicSite: S (15.36, 5.126, 9.927) [0.7562, 0.2524, 0.4887]\n", + " PeriodicSite: S (15.39, 14.84, 20.14) [0.7577, 0.7306, 0.9913]\n", + " PeriodicSite: S (15.34, 15.29, 10.24) [0.7551, 0.7528, 0.504]\n", + " PeriodicSite: S (8.799, 3.923, 8.791) [0.4332, 0.1931, 0.4328]\n", + " PeriodicSite: S (8.92, 3.814, 19.08) [0.4391, 0.1878, 0.9394]\n", + " PeriodicSite: S (8.892, 14.31, 8.808) [0.4378, 0.7043, 0.4336]\n", + " PeriodicSite: S (8.826, 14.51, 19.03) [0.4345, 0.7146, 0.9367]\n", + " PeriodicSite: S (19.16, 3.715, 9.22) [0.9432, 0.1829, 0.4539]\n", + " PeriodicSite: S (19.51, 3.216, 18.94) [0.9606, 0.1583, 0.9322]\n", + " PeriodicSite: S (19.14, 13.91, 9.682) [0.9424, 0.6848, 0.4766]\n", + " PeriodicSite: S (19.42, 14.04, 18.55) [0.9559, 0.6912, 0.9131]\n", + " PeriodicSite: S (3.67, 1.195, 1.423) [0.1807, 0.05882, 0.07006]\n", + " PeriodicSite: S (4.009, 1.28, 11.41) [0.1974, 0.06302, 0.5619]\n", + " PeriodicSite: S (3.736, 10.95, 1.494) [0.1839, 0.5391, 0.07353]\n", + " PeriodicSite: S (4.089, 11.47, 11.49) [0.2013, 0.5646, 0.5655]\n", + " PeriodicSite: S (14.28, 1.033, 1.096) [0.7032, 0.05086, 0.05398]\n", + " PeriodicSite: S (14.69, 1.827, 11.26) [0.7233, 0.08996, 0.5543]\n", + " PeriodicSite: S (14.15, 11.22, 1.15) [0.6964, 0.5524, 0.05664]\n", + " PeriodicSite: S (13.83, 11.19, 11.44) [0.681, 0.5508, 0.5633]\n", + " PeriodicSite: S (6.335, 0.7913, 8.935) [0.3119, 0.03895, 0.4399]\n", + " PeriodicSite: S (6.314, 1.34, 19.67) [0.3108, 0.06598, 0.9684]\n", + " PeriodicSite: S (6.569, 11.34, 8.926) [0.3234, 0.5584, 0.4395]\n", + " PeriodicSite: S (5.913, 11.57, 19.18) [0.2911, 0.5697, 0.9441]\n", + " PeriodicSite: S (16.52, 1.085, 8.68) [0.8135, 0.05343, 0.4273]\n", + " PeriodicSite: S (16.66, 0.9766, 19.01) [0.8204, 0.04807, 0.9358]\n", + " PeriodicSite: S (16.19, 11.71, 9.147) [0.7971, 0.5764, 0.4503]\n", + " PeriodicSite: S (16.27, 11.22, 19.08) [0.8012, 0.5521, 0.9394]\n", + " PeriodicSite: S (1.235, 3.975, 0.9994) [0.06082, 0.1957, 0.0492]\n", + " PeriodicSite: S (1.122, 3.504, 11.72) [0.05523, 0.1725, 0.5768]\n", + " PeriodicSite: S (1.322, 13.45, 0.9118) [0.06505, 0.6621, 0.04489]\n", + " PeriodicSite: S (1.423, 14.26, 11.7) [0.07004, 0.7022, 0.5758]\n", + " PeriodicSite: S (11.06, 3.746, 1.316) [0.5444, 0.1844, 0.06479]\n", + " PeriodicSite: S (11.43, 4.091, 11.02) [0.5627, 0.2014, 0.5424]\n", + " PeriodicSite: S (11.03, 14.31, 1.31) [0.543, 0.7046, 0.0645]\n", + " PeriodicSite: S (11.21, 13.93, 11.16) [0.5517, 0.6859, 0.5492]\n", + " PeriodicSite: S (2.845, 2.443, 17.68) [0.1401, 0.1203, 0.8703]\n", + " PeriodicSite: S (2.897, 12.75, 7.642) [0.1426, 0.6277, 0.3762]\n", + " PeriodicSite: S (12.92, 2.615, 7.488) [0.6361, 0.1288, 0.3686]\n", + " PeriodicSite: S (9.01, 8.819, 3.67) [0.4435, 0.4342, 0.1807]\n", + " PeriodicSite: S (9.072, 9.236, 13.98) [0.4466, 0.4547, 0.6882]\n", + " PeriodicSite: S (8.605, 18.57, 4.378) [0.4236, 0.914, 0.2156]\n", + " PeriodicSite: S (9.109, 19.42, 13.7) [0.4485, 0.956, 0.6743]\n", + " PeriodicSite: S (18.72, 9.322, 4.196) [0.9217, 0.4589, 0.2066]\n", + " PeriodicSite: S (19.43, 8.653, 14.16) [0.9567, 0.426, 0.6972]\n", + " PeriodicSite: S (18.72, 18.95, 4.323) [0.9215, 0.9331, 0.2128]\n", + " PeriodicSite: S (19.2, 19.18, 14.02) [0.945, 0.9443, 0.6903]\n", + " PeriodicSite: S (3.783, 6.401, 6.081) [0.1862, 0.3151, 0.2994]\n", + " PeriodicSite: S (3.866, 6.316, 16.48) [0.1903, 0.311, 0.8113]\n", + " PeriodicSite: S (3.447, 16.21, 6.438) [0.1697, 0.7978, 0.317]\n", + " PeriodicSite: S (4.24, 16.91, 16.29) [0.2087, 0.8323, 0.8022]\n", + " PeriodicSite: S (14.03, 6.314, 6.075) [0.6909, 0.3108, 0.2991]\n", + " PeriodicSite: S (14.29, 6.506, 16.43) [0.7036, 0.3203, 0.8088]\n", + " PeriodicSite: S (13.95, 16.54, 6.502) [0.6868, 0.8145, 0.3201]\n", + " PeriodicSite: S (14.21, 16.38, 16.5) [0.6998, 0.8062, 0.8121]\n", + " PeriodicSite: S (5.929, 6.453, 3.552) [0.2919, 0.3177, 0.1749]\n", + " PeriodicSite: S (6.391, 6.495, 14.28) [0.3146, 0.3197, 0.703]\n", + " PeriodicSite: S (5.954, 16.03, 4.112) [0.2931, 0.7894, 0.2024]\n", + " PeriodicSite: S (6.521, 16.29, 13.89) [0.321, 0.802, 0.6837]\n", + " PeriodicSite: S (16.46, 6.044, 3.887) [0.8104, 0.2975, 0.1914]\n", + " PeriodicSite: S (16.43, 6.265, 13.86) [0.809, 0.3084, 0.6822]\n", + " PeriodicSite: S (16.3, 16.28, 4.047) [0.8024, 0.8015, 0.1992]\n", + " PeriodicSite: S (16.32, 16.81, 13.96) [0.8035, 0.8277, 0.6874]\n", + " PeriodicSite: S (0.8227, 8.816, 6.479) [0.0405, 0.434, 0.319]\n", + " PeriodicSite: S (1.435, 8.688, 16.58) [0.07065, 0.4277, 0.8162]\n", + " PeriodicSite: S (0.9768, 19.18, 6.391) [0.04808, 0.9442, 0.3146]\n", + " PeriodicSite: S (1.16, 19.02, 16.48) [0.05713, 0.9366, 0.8114]\n", + " PeriodicSite: S (11.52, 8.825, 5.78) [0.5673, 0.4345, 0.2846]\n", + " PeriodicSite: S (11.47, 9.288, 16.47) [0.5646, 0.4573, 0.811]\n", + " PeriodicSite: S (11.05, 19.25, 6.633) [0.5438, 0.9477, 0.3266]\n", + " PeriodicSite: S (11.42, 19.11, 16.14) [0.5622, 0.9406, 0.7944]\n", + " PeriodicSite: S (2.18, 17.58, 2.352) [0.1073, 0.8653, 0.1158]\n", + " PeriodicSite: S (2.325, 17.97, 12.79) [0.1144, 0.8845, 0.6296]\n", + " PeriodicSite: S (12.51, 7.63, 12.84) [0.6158, 0.3756, 0.6323]\n", + " PeriodicSite: S (12.66, 17.98, 2.586) [0.6234, 0.8853, 0.1273]\n", + " PeriodicSite: S (3.489, 3.867, 3.867) [0.1718, 0.1904, 0.1904]\n", + " PeriodicSite: S (4.132, 4.027, 14.15) [0.2034, 0.1983, 0.6966]\n", + " PeriodicSite: S (3.318, 13.93, 4.056) [0.1633, 0.6856, 0.1997]\n", + " PeriodicSite: S (3.971, 14.04, 14.51) [0.1955, 0.6914, 0.7145]\n", + " PeriodicSite: S (13.91, 3.745, 3.919) [0.6847, 0.1843, 0.1929]\n", + " PeriodicSite: S (13.8, 3.95, 14.45) [0.6792, 0.1945, 0.7113]\n", + " PeriodicSite: S (13.74, 14.23, 4.153) [0.6763, 0.7004, 0.2044]\n", + " PeriodicSite: S (14.26, 13.9, 13.98) [0.7018, 0.6845, 0.688]\n", + " PeriodicSite: S (8.552, 1.0, 6.431) [0.421, 0.04924, 0.3166]\n", + " PeriodicSite: S (9.559, 1.639, 16.1) [0.4706, 0.08069, 0.7925]\n", + " PeriodicSite: S (9.12, 11.34, 5.722) [0.449, 0.5583, 0.2817]\n", + " PeriodicSite: S (9.059, 11.57, 16.55) [0.446, 0.5694, 0.8146]\n", + " PeriodicSite: S (18.85, 1.209, 6.378) [0.9279, 0.0595, 0.314]\n", + " PeriodicSite: S (19.25, 1.16, 16.57) [0.9475, 0.0571, 0.8159]\n", + " PeriodicSite: S (18.79, 11.4, 6.922) [0.9252, 0.5613, 0.3408]\n", + " PeriodicSite: S (19.52, 11.32, 16.19) [0.9612, 0.5572, 0.7971]\n", + " PeriodicSite: S (0.8677, 0.9417, 3.81) [0.04272, 0.04636, 0.1876]\n", + " PeriodicSite: S (1.286, 1.163, 14.3) [0.0633, 0.05726, 0.7041]\n", + " PeriodicSite: S (0.7799, 11.69, 4.491) [0.03839, 0.5755, 0.2211]\n", + " PeriodicSite: S (1.613, 11.1, 14.24) [0.0794, 0.5463, 0.7009]\n", + " PeriodicSite: S (10.89, 0.9195, 3.854) [0.5363, 0.04526, 0.1897]\n", + " PeriodicSite: S (11.91, 1.345, 13.89) [0.5863, 0.06621, 0.6837]\n", + " PeriodicSite: S (11.2, 11.12, 3.218) [0.5515, 0.5477, 0.1584]\n", + " PeriodicSite: S (11.41, 11.52, 14.26) [0.562, 0.5674, 0.7022]\n", + " PeriodicSite: S (6.072, 4.029, 5.908) [0.2989, 0.1983, 0.2908]\n", + " PeriodicSite: S (6.579, 3.976, 16.52) [0.3239, 0.1957, 0.8132]\n", + " PeriodicSite: S (5.897, 13.78, 6.36) [0.2903, 0.6785, 0.3131]\n", + " PeriodicSite: S (6.42, 14.34, 16.58) [0.316, 0.7058, 0.8162]\n", + " PeriodicSite: S (16.09, 3.75, 6.367) [0.7924, 0.1846, 0.3135]\n", + " PeriodicSite: S (16.56, 4.202, 16.5) [0.8154, 0.2068, 0.8123]\n", + " PeriodicSite: S (16.29, 14.04, 6.492) [0.8019, 0.6913, 0.3196]\n", + " PeriodicSite: S (16.72, 14.26, 16.12) [0.8233, 0.702, 0.7935]\n", + " PeriodicSite: S (7.61, 2.598, 12.61) [0.3746, 0.1279, 0.6206]\n", + " PeriodicSite: S (7.489, 12.83, 2.591) [0.3687, 0.6314, 0.1276]\n", + " PeriodicSite: S (17.59, 2.237, 2.262) [0.866, 0.1101, 0.1114]\n", + " PeriodicSite: S (17.48, 12.54, 2.631) [0.8605, 0.6175, 0.1295]\n", + " PeriodicSite: S (17.68, 12.63, 12.81) [0.8706, 0.6218, 0.6307]\n", + " PeriodicSite: S (3.93, 8.887, 9.217) [0.1935, 0.4375, 0.4538]\n", + " PeriodicSite: S (4.015, 8.894, 19.17) [0.1977, 0.4379, 0.9438]\n", + " PeriodicSite: S (3.647, 19.35, 8.82) [0.1795, 0.9528, 0.4342]\n", + " PeriodicSite: S (3.838, 19.36, 19.28) [0.1889, 0.9529, 0.949]\n", + " PeriodicSite: S (13.9, 9.135, 8.924) [0.6844, 0.4497, 0.4393]\n", + " PeriodicSite: S (14.17, 8.613, 19.71) [0.6977, 0.424, 0.9705]\n", + " PeriodicSite: S (13.93, 19.38, 9.715) [0.686, 0.954, 0.4783]\n", + " PeriodicSite: S (14.08, 18.91, 18.87) [0.693, 0.9307, 0.9289]\n", + " PeriodicSite: S (8.866, 6.247, 0.9774) [0.4365, 0.3075, 0.04812]\n", + " PeriodicSite: S (8.623, 6.249, 11.12) [0.4245, 0.3076, 0.5477]\n", + " PeriodicSite: S (8.743, 17.01, 0.9523) [0.4304, 0.8373, 0.04689]\n", + " PeriodicSite: S (8.984, 16.47, 11.43) [0.4423, 0.8107, 0.5627]\n", + " PeriodicSite: S (18.69, 5.673, 0.9911) [0.9202, 0.2793, 0.0488]\n", + " PeriodicSite: S (19.18, 6.245, 11.44) [0.9444, 0.3075, 0.5634]\n", + " PeriodicSite: S (19.2, 15.52, 1.107) [0.9452, 0.7642, 0.05452]\n", + " PeriodicSite: S (19.35, 16.68, 11.24) [0.9527, 0.8212, 0.5535]\n", + " PeriodicSite: S (1.349, 5.908, 9.209) [0.06644, 0.2909, 0.4534]\n", + " PeriodicSite: S (0.8284, 6.26, 18.99) [0.04079, 0.3082, 0.935]\n", + " PeriodicSite: S (1.064, 16.19, 8.895) [0.0524, 0.797, 0.4379]\n", + " PeriodicSite: S (1.479, 16.38, 19.23) [0.07281, 0.8062, 0.9469]\n", + " PeriodicSite: S (11.13, 6.472, 8.784) [0.5482, 0.3186, 0.4325]\n", + " PeriodicSite: S (11.44, 6.056, 19.08) [0.563, 0.2982, 0.9396]\n", + " PeriodicSite: S (11.45, 16.5, 9.028) [0.5636, 0.8125, 0.4445]\n", + " PeriodicSite: S (11.14, 16.55, 18.99) [0.5486, 0.8149, 0.935]\n", + " PeriodicSite: S (6.69, 9.224, 1.274) [0.3294, 0.4541, 0.06272]\n", + " PeriodicSite: S (6.342, 8.991, 11.38) [0.3122, 0.4426, 0.5601]\n", + " PeriodicSite: S (6.186, 19.19, 1.437) [0.3045, 0.9447, 0.07077]\n", + " PeriodicSite: S (5.939, 18.89, 11.23) [0.2924, 0.9301, 0.5526]\n", + " PeriodicSite: S (16.76, 9.092, 1.44) [0.8251, 0.4476, 0.07091]\n", + " PeriodicSite: S (16.58, 9.337, 11.27) [0.8165, 0.4597, 0.555]\n", + " PeriodicSite: S (16.54, 18.86, 0.9843) [0.8144, 0.9284, 0.04846]\n", + " PeriodicSite: S (16.71, 19.33, 11.42) [0.8226, 0.9516, 0.562]\n", + " PeriodicSite: S (7.822, 7.704, 17.71) [0.3851, 0.3793, 0.8721]\n", + " PeriodicSite: S (7.684, 17.57, 7.628) [0.3783, 0.8649, 0.3756]\n", + " PeriodicSite: S (17.46, 7.799, 7.567) [0.8596, 0.384, 0.3725]\n", + " PeriodicSite: S (17.42, 17.43, 7.514) [0.8577, 0.8581, 0.37]\n", + " PeriodicSite: P (5.076, 0.1801, 0.3574) [0.2499, 0.008862, 0.0176]\n", + " PeriodicSite: P (4.925, 20.29, 10.12) [0.2424, 0.9989, 0.4981]\n", + " PeriodicSite: P (5.122, 10.06, 0.07362) [0.2522, 0.4951, 0.003627]\n", + " PeriodicSite: P (5.286, 10.21, 10.15) [0.2603, 0.5029, 0.4999]\n", + " PeriodicSite: P (15.31, 20.06, 20.06) [0.7536, 0.9875, 0.9874]\n", + " PeriodicSite: P (15.47, 0.2255, 10.28) [0.7617, 0.01109, 0.5061]\n", + " PeriodicSite: P (15.4, 10.05, 0.1674) [0.758, 0.4946, 0.008244]\n", + " PeriodicSite: P (15.1, 10.21, 10.19) [0.7435, 0.5028, 0.5015]\n", + " PeriodicSite: P (4.867, 5.222, 4.826) [0.2396, 0.2571, 0.2376]\n", + " PeriodicSite: P (5.18, 5.133, 15.47) [0.255, 0.2527, 0.7614]\n", + " PeriodicSite: P (4.645, 14.94, 5.22) [0.2287, 0.7356, 0.257]\n", + " PeriodicSite: P (5.275, 15.49, 15.19) [0.2597, 0.7624, 0.7479]\n", + " PeriodicSite: P (15.15, 4.919, 5.067) [0.7457, 0.2421, 0.2494]\n", + " PeriodicSite: P (15.23, 5.146, 15.28) [0.7499, 0.2533, 0.7522]\n", + " PeriodicSite: P (15.09, 15.28, 5.298) [0.7427, 0.7523, 0.2608]\n", + " PeriodicSite: P (15.29, 15.34, 15.12) [0.7526, 0.7554, 0.7441]\n", + " PeriodicSite: P (19.95, 20.3, 5.155) [0.982, 0.9992, 0.2538]\n", + " PeriodicSite: P (20.28, 20.26, 15.32) [0.9982, 0.9973, 0.7544]\n", + " PeriodicSite: P (19.92, 10.33, 5.599) [0.9807, 0.5088, 0.2756]\n", + " PeriodicSite: P (0.3842, 9.868, 15.21) [0.01891, 0.4858, 0.7488]\n", + " PeriodicSite: P (9.719, 20.11, 5.305) [0.4785, 0.99, 0.2612]\n", + " PeriodicSite: P (10.45, 0.07822, 14.96) [0.5143, 0.003847, 0.7363]\n", + " PeriodicSite: P (10.26, 9.988, 4.749) [0.505, 0.4917, 0.2338]\n", + " PeriodicSite: P (10.12, 10.38, 15.27) [0.4982, 0.5108, 0.7517]\n", + " PeriodicSite: P (20.16, 4.806, 20.15) [0.9924, 0.2366, 0.992]\n", + " PeriodicSite: P (0.09609, 4.91, 10.44) [0.004731, 0.2417, 0.514]\n", + " PeriodicSite: P (0.2915, 14.81, 20.0) [0.01435, 0.7293, 0.9848]\n", + " PeriodicSite: P (0.1257, 15.25, 10.43) [0.006182, 0.751, 0.5137]\n", + " PeriodicSite: P (10.04, 5.0, 20.26) [0.4943, 0.2461, 0.9975]\n", + " PeriodicSite: P (9.906, 5.079, 9.93) [0.4877, 0.25, 0.4889]\n", + " PeriodicSite: P (9.99, 15.59, 0.02958) [0.4918, 0.7678, 0.00146]\n", + " PeriodicSite: P (10.04, 15.3, 10.18) [0.4943, 0.7531, 0.5013],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.146, 7.099, 4.79) [0.05642, 0.3495, 0.2358]\n", + " PeriodicSite: Li (0.02239, 3.137, 13.64) [0.001105, 0.1544, 0.6717]\n", + " PeriodicSite: Li (0.2261, 12.37, 8.145) [0.01113, 0.609, 0.401]\n", + " PeriodicSite: Li (1.475, 12.77, 15.55) [0.07263, 0.6285, 0.7656]\n", + " PeriodicSite: Li (14.72, 0.9134, 7.164) [0.7249, 0.04496, 0.3527]\n", + " PeriodicSite: Li (11.73, 3.145, 16.02) [0.5776, 0.1548, 0.7888]\n", + " PeriodicSite: Li (13.21, 11.84, 4.719) [0.6504, 0.5831, 0.2323]\n", + " PeriodicSite: Li (16.04, 7.734, 15.82) [0.7897, 0.3807, 0.7788]\n", + " PeriodicSite: Li (4.452, 4.565, 8.013) [0.2192, 0.2247, 0.3945]\n", + " PeriodicSite: Li (3.193, 2.945, 0.1114) [0.1572, 0.145, 0.005488]\n", + " PeriodicSite: Li (4.06, 8.288, 3.715) [0.1999, 0.408, 0.1829]\n", + " PeriodicSite: Li (7.355, 10.06, 17.07) [0.3621, 0.4954, 0.8405]\n", + " PeriodicSite: Li (12.41, 4.454, 6.031) [0.6109, 0.2193, 0.2969]\n", + " PeriodicSite: Li (13.45, 20.01, 17.16) [0.6622, 0.985, 0.8448]\n", + " PeriodicSite: Li (11.15, 9.441, 12.75) [0.549, 0.4648, 0.6277]\n", + " PeriodicSite: Li (8.494, 19.05, 19.35) [0.4181, 0.9378, 0.9526]\n", + " PeriodicSite: Li (6.037, 1.443, 6.533) [0.2972, 0.07105, 0.3216]\n", + " PeriodicSite: Li (5.167, 19.15, 13.23) [0.2544, 0.9427, 0.6514]\n", + " PeriodicSite: Li (3.021, 11.39, 5.973) [0.1487, 0.5605, 0.294]\n", + " PeriodicSite: Li (7.247, 9.997, 13.6) [0.3568, 0.4922, 0.6694]\n", + " PeriodicSite: Li (13.1, 1.431, 9.585) [0.6448, 0.07045, 0.4719]\n", + " PeriodicSite: Li (10.51, 1.942, 18.92) [0.5176, 0.09563, 0.9313]\n", + " PeriodicSite: Li (14.09, 14.15, 8.036) [0.6936, 0.6968, 0.3956]\n", + " PeriodicSite: Li (12.52, 8.964, 0.8887) [0.6163, 0.4413, 0.04376]\n", + " PeriodicSite: Li (0.6177, 4.156, 7.55) [0.03041, 0.2046, 0.3717]\n", + " PeriodicSite: Li (0.4693, 2.769, 16.87) [0.02311, 0.1363, 0.8303]\n", + " PeriodicSite: Li (1.971, 14.5, 6.505) [0.09701, 0.714, 0.3202]\n", + " PeriodicSite: Li (3.977, 16.6, 19.65) [0.1958, 0.8174, 0.9672]\n", + " PeriodicSite: Li (13.17, 1.779, 5.161) [0.6482, 0.08758, 0.2541]\n", + " PeriodicSite: Li (16.26, 1.731, 16.29) [0.8003, 0.08523, 0.8022]\n", + " PeriodicSite: Li (11.58, 11.81, 9.809) [0.5701, 0.5816, 0.4829]\n", + " PeriodicSite: Li (17.39, 16.89, 0.1531) [0.8563, 0.8316, 0.007541]\n", + " PeriodicSite: Li (4.879, 1.792, 3.675) [0.2402, 0.08822, 0.1809]\n", + " PeriodicSite: Li (20.3, 17.14, 2.981) [0.9996, 0.8439, 0.1468]\n", + " PeriodicSite: Li (2.841, 14.41, 9.676) [0.1399, 0.7096, 0.4764]\n", + " PeriodicSite: Li (0.1024, 16.8, 13.38) [0.005039, 0.8271, 0.6585]\n", + " PeriodicSite: Li (15.58, 3.376, 8.257) [0.767, 0.1662, 0.4065]\n", + " PeriodicSite: Li (13.47, 5.657, 19.07) [0.6629, 0.2785, 0.9391]\n", + " PeriodicSite: Li (16.98, 15.56, 8.391) [0.8359, 0.7662, 0.4131]\n", + " PeriodicSite: Li (10.49, 11.88, 18.81) [0.5165, 0.5848, 0.9262]\n", + " PeriodicSite: Li (1.628, 3.296, 5.173) [0.08017, 0.1622, 0.2547]\n", + " PeriodicSite: Li (2.063, 0.1513, 18.96) [0.1016, 0.007452, 0.9332]\n", + " PeriodicSite: Li (4.754, 11.1, 7.603) [0.234, 0.5465, 0.3743]\n", + " PeriodicSite: Li (17.81, 14.61, 4.424) [0.8767, 0.7193, 0.2178]\n", + " PeriodicSite: Li (10.4, 2.202, 8.273) [0.5122, 0.1084, 0.4073]\n", + " PeriodicSite: Li (16.97, 0.7224, 13.6) [0.8355, 0.03556, 0.6694]\n", + " PeriodicSite: Li (13.02, 10.28, 7.041) [0.641, 0.5063, 0.3466]\n", + " PeriodicSite: Li (13.94, 10.09, 17.01) [0.6862, 0.4967, 0.8376]\n", + " PeriodicSite: Li (5.026, 12.55, 15.98) [0.2474, 0.6176, 0.7866]\n", + " PeriodicSite: Li (2.165, 10.98, 10.02) [0.1066, 0.5404, 0.4931]\n", + " PeriodicSite: Li (2.071, 17.6, 5.266) [0.1019, 0.8664, 0.2593]\n", + " PeriodicSite: Li (1.802, 0.5908, 9.168) [0.08872, 0.02908, 0.4514]\n", + " PeriodicSite: Li (13.27, 4.966, 1.88) [0.6533, 0.2445, 0.09255]\n", + " PeriodicSite: Li (12.55, 7.045, 15.24) [0.6181, 0.3468, 0.7505]\n", + " PeriodicSite: Li (10.41, 13.82, 6.928) [0.5126, 0.6805, 0.3411]\n", + " PeriodicSite: Li (13.62, 18.66, 14.64) [0.6704, 0.9187, 0.7207]\n", + " PeriodicSite: Li (2.829, 5.943, 0.8593) [0.1393, 0.2926, 0.04231]\n", + " PeriodicSite: Li (3.256, 4.133, 10.84) [0.1603, 0.2035, 0.5338]\n", + " PeriodicSite: Li (6.943, 16.82, 19.98) [0.3418, 0.8279, 0.9837]\n", + " PeriodicSite: Li (3.064, 18.78, 15.15) [0.1508, 0.9248, 0.7459]\n", + " PeriodicSite: Li (13.48, 2.978, 20.15) [0.6637, 0.1466, 0.9919]\n", + " PeriodicSite: Li (10.6, 6.459, 12.81) [0.5221, 0.318, 0.6307]\n", + " PeriodicSite: Li (11.86, 16.0, 2.647) [0.5841, 0.7877, 0.1303]\n", + " PeriodicSite: Li (10.28, 17.41, 13.19) [0.5059, 0.8569, 0.6493]\n", + " PeriodicSite: Li (3.728, 9.959, 16.92) [0.1835, 0.4903, 0.8332]\n", + " PeriodicSite: Li (3.725, 6.968, 10.67) [0.1834, 0.343, 0.5252]\n", + " PeriodicSite: Li (4.61, 17.45, 2.419) [0.227, 0.859, 0.1191]\n", + " PeriodicSite: Li (1.852, 18.15, 10.8) [0.09118, 0.8937, 0.5316]\n", + " PeriodicSite: Li (10.53, 7.101, 2.647) [0.5182, 0.3496, 0.1303]\n", + " PeriodicSite: Li (13.97, 5.748, 12.06) [0.6877, 0.283, 0.594]\n", + " PeriodicSite: Li (10.59, 19.7, 2.315) [0.5215, 0.9699, 0.114]\n", + " PeriodicSite: Li (12.83, 15.99, 10.64) [0.6317, 0.7871, 0.5237]\n", + " PeriodicSite: Li (2.1, 9.229, 0.3248) [0.1034, 0.4544, 0.01599]\n", + " PeriodicSite: Li (17.44, 5.584, 8.225) [0.8587, 0.2749, 0.4049]\n", + " PeriodicSite: Li (2.693, 20.11, 3.165) [0.1326, 0.99, 0.1558]\n", + " PeriodicSite: Li (1.68, 20.04, 12.77) [0.0827, 0.9866, 0.6289]\n", + " PeriodicSite: Li (9.821, 7.275, 6.472) [0.4835, 0.3582, 0.3186]\n", + " PeriodicSite: Li (13.62, 12.79, 15.72) [0.6706, 0.6296, 0.7738]\n", + " PeriodicSite: Li (14.75, 17.32, 1.953) [0.7263, 0.8526, 0.09614]\n", + " PeriodicSite: Li (11.92, 15.45, 16.47) [0.587, 0.7607, 0.8107]\n", + " PeriodicSite: Li (7.479, 9.86, 6.154) [0.3682, 0.4854, 0.303]\n", + " PeriodicSite: Li (20.17, 12.66, 11.61) [0.9931, 0.623, 0.5718]\n", + " PeriodicSite: Li (19.17, 17.23, 6.353) [0.9436, 0.8484, 0.3128]\n", + " PeriodicSite: Li (6.051, 18.02, 15.99) [0.2979, 0.8871, 0.7871]\n", + " PeriodicSite: Li (15.77, 10.89, 2.813) [0.7764, 0.5361, 0.1385]\n", + " PeriodicSite: Li (12.92, 7.526, 10.54) [0.6359, 0.3705, 0.5189]\n", + " PeriodicSite: Li (13.21, 15.28, 20.25) [0.6506, 0.752, 0.9971]\n", + " PeriodicSite: Li (11.36, 18.79, 10.43) [0.5595, 0.9251, 0.5136]\n", + " PeriodicSite: Li (5.099, 2.783, 18.5) [0.251, 0.137, 0.9107]\n", + " PeriodicSite: Li (3.653, 9.783, 13.29) [0.1798, 0.4816, 0.6541]\n", + " PeriodicSite: Li (6.782, 0.206, 3.394) [0.3339, 0.01014, 0.1671]\n", + " PeriodicSite: Li (2.277, 15.59, 13.5) [0.1121, 0.7673, 0.6644]\n", + " PeriodicSite: Li (12.88, 8.341, 4.746) [0.6342, 0.4106, 0.2337]\n", + " PeriodicSite: Li (14.25, 9.231, 13.6) [0.7017, 0.4545, 0.6694]\n", + " PeriodicSite: Li (12.71, 18.3, 4.735) [0.6257, 0.9009, 0.2331]\n", + " PeriodicSite: Li (17.88, 4.624, 14.51) [0.8803, 0.2276, 0.7144]\n", + " PeriodicSite: Li (8.363, 1.557, 0.7178) [0.4117, 0.07667, 0.03534]\n", + " PeriodicSite: Li (10.07, 1.925, 12.12) [0.4958, 0.09476, 0.5967]\n", + " PeriodicSite: Li (6.815, 12.44, 4.748) [0.3355, 0.6125, 0.2338]\n", + " PeriodicSite: Li (7.447, 12.36, 15.15) [0.3666, 0.6083, 0.7457]\n", + " PeriodicSite: Li (18.08, 4.477, 3.311) [0.8903, 0.2204, 0.163]\n", + " PeriodicSite: Li (13.16, 3.942, 9.711) [0.6481, 0.194, 0.4781]\n", + " PeriodicSite: Li (20.01, 13.3, 3.046) [0.985, 0.6546, 0.15]\n", + " PeriodicSite: Li (17.3, 10.03, 13.44) [0.8519, 0.4938, 0.6619]\n", + " PeriodicSite: Li (6.762, 18.65, 5.611) [0.3329, 0.9184, 0.2762]\n", + " PeriodicSite: Li (8.323, 3.738, 14.56) [0.4098, 0.184, 0.7166]\n", + " PeriodicSite: Li (3.863, 13.49, 19.6) [0.1902, 0.6641, 0.9648]\n", + " PeriodicSite: Li (10.17, 13.68, 13.33) [0.5006, 0.6735, 0.6562]\n", + " PeriodicSite: Li (13.45, 20.3, 2.969) [0.6622, 0.9995, 0.1462]\n", + " PeriodicSite: Li (19.37, 2.155, 10.88) [0.9536, 0.1061, 0.5358]\n", + " PeriodicSite: Li (17.58, 13.3, 0.0822) [0.8653, 0.6547, 0.004053]\n", + " PeriodicSite: Li (17.4, 14.56, 11.29) [0.8567, 0.7169, 0.556]\n", + " PeriodicSite: Li (8.096, 4.477, 4.166) [0.3986, 0.2204, 0.2051]\n", + " PeriodicSite: Li (8.104, 0.2598, 11.78) [0.399, 0.01279, 0.5799]\n", + " PeriodicSite: Li (9.764, 13.16, 3.52) [0.4807, 0.6477, 0.1733]\n", + " PeriodicSite: Li (5.429, 13.36, 12.08) [0.2673, 0.6578, 0.5949]\n", + " PeriodicSite: Li (0.1424, 1.609, 1.882) [0.00701, 0.07922, 0.09267]\n", + " PeriodicSite: Li (0.3395, 8.411, 11.94) [0.01672, 0.4141, 0.5879]\n", + " PeriodicSite: Li (15.46, 14.19, 2.258) [0.7611, 0.6985, 0.1112]\n", + " PeriodicSite: Li (15.69, 12.19, 14.13) [0.7725, 0.6, 0.6958]\n", + " PeriodicSite: Li (3.432, 20.22, 6.663) [0.1689, 0.9956, 0.328]\n", + " PeriodicSite: Li (7.329, 0.4456, 15.19) [0.3608, 0.02194, 0.7479]\n", + " PeriodicSite: Li (5.646, 13.22, 2.423) [0.278, 0.6507, 0.1193]\n", + " PeriodicSite: Li (8.481, 7.174, 15.67) [0.4175, 0.3532, 0.7717]\n", + " PeriodicSite: Li (17.26, 3.684, 20.21) [0.8496, 0.1814, 0.9949]\n", + " PeriodicSite: Li (15.2, 17.09, 11.78) [0.7483, 0.8412, 0.5802]\n", + " PeriodicSite: Li (14.79, 12.95, 19.66) [0.728, 0.6375, 0.9677]\n", + " PeriodicSite: Li (17.59, 11.05, 10.96) [0.8662, 0.5442, 0.5398]\n", + " PeriodicSite: Li (8.383, 7.793, 19.88) [0.4127, 0.3836, 0.9788]\n", + " PeriodicSite: Li (5.796, 1.765, 13.25) [0.2853, 0.08688, 0.6525]\n", + " PeriodicSite: Li (9.079, 10.42, 1.712) [0.447, 0.5132, 0.08429]\n", + " PeriodicSite: Li (8.24, 12.12, 10.75) [0.4056, 0.5968, 0.5291]\n", + " PeriodicSite: Li (15.52, 2.76, 2.11) [0.7641, 0.1358, 0.1039]\n", + " PeriodicSite: Li (16.89, 4.14, 11.01) [0.8314, 0.2038, 0.5422]\n", + " PeriodicSite: Li (0.7779, 11.93, 19.13) [0.0383, 0.5875, 0.9417]\n", + " PeriodicSite: Li (18.46, 13.6, 15.02) [0.9087, 0.6693, 0.7395]\n", + " PeriodicSite: Li (5.538, 3.731, 1.813) [0.2726, 0.1837, 0.08926]\n", + " PeriodicSite: Li (7.081, 3.524, 10.17) [0.3486, 0.1735, 0.5004]\n", + " PeriodicSite: Li (7.521, 15.29, 2.118) [0.3703, 0.7528, 0.1043]\n", + " PeriodicSite: Li (4.663, 16.99, 11.69) [0.2296, 0.8366, 0.5754]\n", + " PeriodicSite: Li (18.19, 0.4184, 0.675) [0.8953, 0.02059, 0.03324]\n", + " PeriodicSite: Li (2.038, 6.791, 14.84) [0.1003, 0.3343, 0.7303]\n", + " PeriodicSite: Li (5.529, 13.49, 8.895) [0.2722, 0.6641, 0.4379]\n", + " PeriodicSite: Li (15.13, 13.44, 11.59) [0.7449, 0.6614, 0.5705]\n", + " PeriodicSite: Li (17.13, 11.74, 4.956) [0.8433, 0.5779, 0.244]\n", + " PeriodicSite: Li (5.74, 8.081, 15.89) [0.2826, 0.3978, 0.7824]\n", + " PeriodicSite: Li (7.155, 15.31, 12.19) [0.3522, 0.7539, 0.6001]\n", + " PeriodicSite: Li (1.643, 17.73, 0.7042) [0.08086, 0.8728, 0.03467]\n", + " PeriodicSite: Li (16.0, 10.45, 7.838) [0.7875, 0.5142, 0.3859]\n", + " PeriodicSite: Li (3.03, 4.688, 18.45) [0.1492, 0.2308, 0.9082]\n", + " PeriodicSite: Li (16.93, 1.96, 5.046) [0.8335, 0.09649, 0.2484]\n", + " PeriodicSite: Li (19.0, 19.83, 17.98) [0.9355, 0.9764, 0.8854]\n", + " PeriodicSite: Li (4.946, 8.266, 7.061) [0.2435, 0.4069, 0.3476]\n", + " PeriodicSite: Li (8.548, 5.396, 17.97) [0.4209, 0.2656, 0.8844]\n", + " PeriodicSite: Li (7.836, 19.69, 8.26) [0.3858, 0.9692, 0.4066]\n", + " PeriodicSite: Li (7.99, 16.13, 15.89) [0.3934, 0.7942, 0.7824]\n", + " PeriodicSite: Li (17.17, 7.492, 10.19) [0.8454, 0.3688, 0.5017]\n", + " PeriodicSite: Li (19.13, 7.895, 20.05) [0.9418, 0.3887, 0.9871]\n", + " PeriodicSite: Li (17.58, 19.9, 7.245) [0.8654, 0.9799, 0.3567]\n", + " PeriodicSite: Li (19.55, 16.39, 17.19) [0.9624, 0.8068, 0.8463]\n", + " PeriodicSite: Li (7.29, 6.079, 9.337) [0.3589, 0.2993, 0.4597]\n", + " PeriodicSite: Li (3.493, 2.173, 15.27) [0.172, 0.107, 0.7515]\n", + " PeriodicSite: Li (7.392, 16.03, 9.21) [0.3639, 0.7892, 0.4534]\n", + " PeriodicSite: Li (17.55, 10.17, 16.87) [0.8642, 0.5009, 0.8305]\n", + " PeriodicSite: Li (19.06, 9.69, 8.169) [0.9382, 0.477, 0.4022]\n", + " PeriodicSite: Li (17.2, 5.692, 18.72) [0.8467, 0.2802, 0.9216]\n", + " PeriodicSite: Li (15.04, 17.37, 8.811) [0.7405, 0.8551, 0.4338]\n", + " PeriodicSite: Li (15.85, 15.73, 18.05) [0.7801, 0.7743, 0.8885]\n", + " PeriodicSite: Li (9.149, 8.41, 9.513) [0.4504, 0.414, 0.4683]\n", + " PeriodicSite: Li (6.289, 6.325, 0.8703) [0.3096, 0.3114, 0.04285]\n", + " PeriodicSite: Li (4.965, 17.21, 8.369) [0.2444, 0.8474, 0.412]\n", + " PeriodicSite: Li (7.251, 13.41, 0.4352) [0.357, 0.6601, 0.02143]\n", + " PeriodicSite: Li (15.47, 7.362, 8.088) [0.7617, 0.3624, 0.3982]\n", + " PeriodicSite: Li (20.01, 7.138, 16.68) [0.9853, 0.3514, 0.8213]\n", + " PeriodicSite: Li (16.22, 17.91, 5.718) [0.7984, 0.8815, 0.2815]\n", + " PeriodicSite: Li (15.99, 18.45, 16.36) [0.7873, 0.9085, 0.8055]\n", + " PeriodicSite: Li (6.109, 5.035, 12.47) [0.3007, 0.2479, 0.6139]\n", + " PeriodicSite: Li (5.688, 6.281, 18.18) [0.28, 0.3092, 0.8948]\n", + " PeriodicSite: Li (9.608, 17.4, 7.047) [0.473, 0.8566, 0.347]\n", + " PeriodicSite: Li (12.31, 18.63, 0.2179) [0.6062, 0.9173, 0.01073]\n", + " PeriodicSite: Li (16.64, 8.619, 4.992) [0.819, 0.4243, 0.2458]\n", + " PeriodicSite: Li (15.1, 6.977, 1.56) [0.7433, 0.3435, 0.07681]\n", + " PeriodicSite: Li (18.55, 18.99, 9.814) [0.9133, 0.9349, 0.4831]\n", + " PeriodicSite: Li (16.87, 0.06964, 3.477) [0.8305, 0.003421, 0.1712]\n", + " PeriodicSite: Li (6.236, 10.46, 2.831) [0.307, 0.515, 0.1394]\n", + " PeriodicSite: Li (10.15, 8.041, 17.98) [0.4995, 0.3959, 0.885]\n", + " PeriodicSite: Li (7.643, 15.73, 6.106) [0.3763, 0.7745, 0.3006]\n", + " PeriodicSite: Li (4.62, 0.2605, 17.5) [0.2275, 0.01283, 0.8616]\n", + " PeriodicSite: Li (19.18, 7.684, 6.098) [0.9442, 0.3783, 0.3002]\n", + " PeriodicSite: Li (18.5, 10.36, 1.732) [0.9109, 0.51, 0.08528]\n", + " PeriodicSite: Li (2.99, 15.16, 2.151) [0.1472, 0.7461, 0.1059]\n", + " PeriodicSite: Li (14.03, 1.482, 13.94) [0.6906, 0.07294, 0.6863]\n", + " PeriodicSite: Cl (7.89, 13.11, 12.78) [0.3885, 0.6456, 0.6292]\n", + " PeriodicSite: Cl (2.613, 12.61, 17.58) [0.1286, 0.6208, 0.8654]\n", + " PeriodicSite: Cl (12.78, 17.78, 12.1) [0.6294, 0.8755, 0.5956]\n", + " PeriodicSite: Cl (17.88, 7.791, 17.93) [0.8802, 0.3836, 0.8827]\n", + " PeriodicSite: Cl (6.891, 2.525, 2.733) [0.3393, 0.1243, 0.1345]\n", + " PeriodicSite: Cl (7.482, 7.74, 7.698) [0.3684, 0.3811, 0.379]\n", + " PeriodicSite: Cl (12.29, 12.25, 7.679) [0.6049, 0.6033, 0.378]\n", + " PeriodicSite: Cl (2.007, 7.876, 2.712) [0.09882, 0.3877, 0.1335]\n", + " PeriodicSite: Cl (2.458, 7.488, 12.72) [0.121, 0.3686, 0.6262]\n", + " PeriodicSite: Cl (12.84, 12.86, 18.04) [0.6322, 0.6332, 0.8879]\n", + " PeriodicSite: Cl (17.72, 17.36, 17.86) [0.8724, 0.8546, 0.8791]\n", + " PeriodicSite: Cl (2.484, 2.237, 7.177) [0.1223, 0.1101, 0.3533]\n", + " PeriodicSite: Cl (12.68, 2.266, 17.83) [0.6244, 0.1116, 0.8778]\n", + " PeriodicSite: Cl (12.76, 7.21, 2.393) [0.6282, 0.355, 0.1178]\n", + " PeriodicSite: Cl (18.04, 2.611, 12.83) [0.8882, 0.1285, 0.6316]\n", + " PeriodicSite: Cl (7.49, 17.9, 17.7) [0.3688, 0.8812, 0.8716]\n", + " PeriodicSite: Cl (20.2, 19.86, 20.27) [0.9946, 0.9778, 0.998]\n", + " PeriodicSite: Cl (0.237, 20.3, 10.57) [0.01166, 0.9992, 0.5206]\n", + " PeriodicSite: Cl (20.11, 10.06, 0.1822) [0.9898, 0.4951, 0.008976]\n", + " PeriodicSite: Cl (20.14, 10.43, 10.39) [0.9915, 0.5133, 0.5117]\n", + " PeriodicSite: Cl (9.972, 0.2511, 20.19) [0.4909, 0.01236, 0.994]\n", + " PeriodicSite: Cl (9.991, 0.3474, 10.24) [0.4919, 0.0171, 0.5039]\n", + " PeriodicSite: Cl (10.44, 9.488, 20.18) [0.5142, 0.4671, 0.9936]\n", + " PeriodicSite: Cl (10.04, 10.1, 10.93) [0.4944, 0.4972, 0.5382]\n", + " PeriodicSite: Cl (0.0008812, 4.919, 5.66) [4.267e-05, 0.2421, 0.2787]\n", + " PeriodicSite: Cl (20.23, 4.93, 15.25) [0.9958, 0.2427, 0.7506]\n", + " PeriodicSite: Cl (20.12, 15.25, 5.043) [0.9907, 0.7508, 0.2483]\n", + " PeriodicSite: Cl (20.24, 15.04, 15.03) [0.9965, 0.7404, 0.7401]\n", + " PeriodicSite: Cl (10.06, 5.563, 4.758) [0.4954, 0.2739, 0.2342]\n", + " PeriodicSite: Cl (10.1, 5.456, 15.29) [0.4971, 0.2686, 0.7526]\n", + " PeriodicSite: Cl (10.13, 15.14, 5.154) [0.4986, 0.7451, 0.2537]\n", + " PeriodicSite: Cl (10.14, 15.52, 15.1) [0.4994, 0.764, 0.7434]\n", + " PeriodicSite: S (5.016, 20.16, 4.767) [0.247, 0.9925, 0.2347]\n", + " PeriodicSite: S (5.136, 0.1153, 15.15) [0.2528, 0.005674, 0.746]\n", + " PeriodicSite: S (5.16, 10.17, 5.388) [0.254, 0.5007, 0.2652]\n", + " PeriodicSite: S (5.624, 10.27, 15.29) [0.2769, 0.5057, 0.7528]\n", + " PeriodicSite: S (14.91, 0.09516, 4.86) [0.7342, 0.004678, 0.2392]\n", + " PeriodicSite: S (14.99, 20.29, 15.26) [0.7382, 0.9991, 0.7515]\n", + " PeriodicSite: S (14.91, 10.29, 5.466) [0.7343, 0.5063, 0.2691]\n", + " PeriodicSite: S (15.74, 9.993, 15.36) [0.7747, 0.4919, 0.7562]\n", + " PeriodicSite: S (4.77, 4.957, 19.97) [0.2348, 0.244, 0.9833]\n", + " PeriodicSite: S (5.085, 5.073, 10.22) [0.2504, 0.2497, 0.5033]\n", + " PeriodicSite: S (5.37, 15.07, 0.7036) [0.2644, 0.7419, 0.03464]\n", + " PeriodicSite: S (5.215, 15.16, 10.47) [0.2567, 0.7461, 0.5156]\n", + " PeriodicSite: S (14.99, 4.738, 0.0226) [0.7381, 0.2332, 0.001117]\n", + " PeriodicSite: S (15.26, 5.579, 9.975) [0.7514, 0.2746, 0.4911]\n", + " PeriodicSite: S (15.57, 15.23, 20.19) [0.7664, 0.7496, 0.9941]\n", + " PeriodicSite: S (15.21, 15.44, 9.987) [0.7486, 0.7599, 0.4917]\n", + " PeriodicSite: S (8.764, 4.246, 8.836) [0.4315, 0.209, 0.435]\n", + " PeriodicSite: S (8.695, 3.519, 19.66) [0.4281, 0.1733, 0.9677]\n", + " PeriodicSite: S (8.807, 13.82, 8.925) [0.4336, 0.6801, 0.4394]\n", + " PeriodicSite: S (9.05, 13.98, 19.13) [0.4455, 0.6881, 0.9417]\n", + " PeriodicSite: S (18.99, 3.944, 9.256) [0.9351, 0.1942, 0.4557]\n", + " PeriodicSite: S (19.42, 3.829, 18.82) [0.9562, 0.1885, 0.9265]\n", + " PeriodicSite: S (19.25, 14.12, 9.216) [0.9477, 0.6952, 0.4537]\n", + " PeriodicSite: S (19.36, 13.74, 18.84) [0.9531, 0.6763, 0.9277]\n", + " PeriodicSite: S (3.851, 0.849, 1.376) [0.1896, 0.0418, 0.06775]\n", + " PeriodicSite: S (3.847, 0.9732, 11.45) [0.1894, 0.04791, 0.5637]\n", + " PeriodicSite: S (4.328, 11.13, 1.152) [0.2131, 0.5477, 0.05671]\n", + " PeriodicSite: S (4.006, 11.41, 11.7) [0.1972, 0.5617, 0.5761]\n", + " PeriodicSite: S (14.26, 0.8947, 0.8572) [0.7021, 0.04404, 0.0422]\n", + " PeriodicSite: S (14.67, 1.885, 11.25) [0.7224, 0.09278, 0.5538]\n", + " PeriodicSite: S (14.32, 11.38, 1.035) [0.7047, 0.5602, 0.05094]\n", + " PeriodicSite: S (13.67, 11.11, 11.84) [0.6728, 0.5471, 0.5827]\n", + " PeriodicSite: S (6.216, 1.135, 9.034) [0.306, 0.05586, 0.4447]\n", + " PeriodicSite: S (6.231, 0.8163, 19.24) [0.3068, 0.04019, 0.9472]\n", + " PeriodicSite: S (6.533, 11.17, 9.308) [0.3216, 0.5501, 0.4582]\n", + " PeriodicSite: S (6.033, 11.38, 18.83) [0.297, 0.5604, 0.9269]\n", + " PeriodicSite: S (16.62, 1.246, 8.869) [0.8184, 0.06133, 0.4367]\n", + " PeriodicSite: S (16.71, 0.6025, 18.84) [0.8229, 0.02965, 0.9278]\n", + " PeriodicSite: S (15.93, 11.92, 9.564) [0.7841, 0.5867, 0.4709]\n", + " PeriodicSite: S (16.54, 11.24, 18.9) [0.8145, 0.5534, 0.9303]\n", + " PeriodicSite: S (1.365, 4.281, 1.258) [0.06722, 0.2108, 0.06195]\n", + " PeriodicSite: S (0.9849, 3.797, 11.64) [0.04849, 0.1869, 0.573]\n", + " PeriodicSite: S (1.552, 13.56, 0.7673) [0.07642, 0.6675, 0.03778]\n", + " PeriodicSite: S (1.269, 14.51, 11.61) [0.06248, 0.7142, 0.5714]\n", + " PeriodicSite: S (11.24, 3.785, 1.35) [0.5534, 0.1863, 0.06645]\n", + " PeriodicSite: S (11.24, 4.042, 11.27) [0.5535, 0.199, 0.5549]\n", + " PeriodicSite: S (11.4, 14.4, 1.236) [0.5614, 0.7087, 0.06083]\n", + " PeriodicSite: S (11.45, 14.06, 11.05) [0.5635, 0.6921, 0.544]\n", + " PeriodicSite: S (2.912, 2.18, 17.96) [0.1434, 0.1073, 0.8844]\n", + " PeriodicSite: S (2.642, 12.73, 8.044) [0.1301, 0.6269, 0.396]\n", + " PeriodicSite: S (12.69, 2.731, 7.766) [0.6247, 0.1345, 0.3824]\n", + " PeriodicSite: S (8.977, 8.993, 3.872) [0.4419, 0.4427, 0.1906]\n", + " PeriodicSite: S (9.425, 9.093, 14.42) [0.464, 0.4477, 0.7097]\n", + " PeriodicSite: S (8.726, 19.29, 3.877) [0.4296, 0.9495, 0.1909]\n", + " PeriodicSite: S (9.048, 19.5, 13.76) [0.4455, 0.9602, 0.6776]\n", + " PeriodicSite: S (18.85, 9.306, 4.107) [0.928, 0.4582, 0.2022]\n", + " PeriodicSite: S (19.08, 8.933, 14.3) [0.9393, 0.4398, 0.7041]\n", + " PeriodicSite: S (18.88, 18.92, 4.328) [0.9294, 0.9316, 0.2131]\n", + " PeriodicSite: S (19.73, 18.99, 13.67) [0.9712, 0.9347, 0.6729]\n", + " PeriodicSite: S (3.427, 6.143, 5.798) [0.1687, 0.3024, 0.2854]\n", + " PeriodicSite: S (3.99, 6.362, 16.36) [0.1964, 0.3132, 0.8055]\n", + " PeriodicSite: S (3.657, 16.34, 6.492) [0.18, 0.8044, 0.3196]\n", + " PeriodicSite: S (3.834, 16.66, 16.32) [0.1888, 0.8202, 0.8033]\n", + " PeriodicSite: S (14.14, 5.999, 6.104) [0.6963, 0.2953, 0.3005]\n", + " PeriodicSite: S (14.23, 6.261, 16.81) [0.7004, 0.3082, 0.8276]\n", + " PeriodicSite: S (13.95, 16.79, 6.168) [0.6869, 0.8267, 0.3036]\n", + " PeriodicSite: S (14.21, 16.74, 15.8) [0.6995, 0.8242, 0.7781]\n", + " PeriodicSite: S (5.572, 6.057, 3.168) [0.2743, 0.2982, 0.156]\n", + " PeriodicSite: S (6.332, 6.484, 14.06) [0.3117, 0.3192, 0.692]\n", + " PeriodicSite: S (5.983, 16.3, 4.227) [0.2946, 0.8027, 0.2081]\n", + " PeriodicSite: S (6.391, 16.84, 14.2) [0.3147, 0.8291, 0.6991]\n", + " PeriodicSite: S (16.47, 6.069, 3.565) [0.8107, 0.2988, 0.1755]\n", + " PeriodicSite: S (15.91, 5.922, 14.12) [0.783, 0.2915, 0.6951]\n", + " PeriodicSite: S (16.05, 16.2, 3.699) [0.7901, 0.7976, 0.1821]\n", + " PeriodicSite: S (16.65, 16.41, 13.61) [0.8196, 0.8079, 0.6698]\n", + " PeriodicSite: S (0.8621, 9.041, 6.387) [0.04244, 0.4451, 0.3145]\n", + " PeriodicSite: S (1.503, 8.846, 16.13) [0.07397, 0.4355, 0.7942]\n", + " PeriodicSite: S (1.091, 19.41, 6.374) [0.0537, 0.9555, 0.3138]\n", + " PeriodicSite: S (0.8833, 19.2, 16.82) [0.04348, 0.9452, 0.8283]\n", + " PeriodicSite: S (11.27, 9.091, 6.33) [0.5547, 0.4475, 0.3116]\n", + " PeriodicSite: S (11.9, 9.195, 16.51) [0.5859, 0.4527, 0.813]\n", + " PeriodicSite: S (10.95, 19.28, 6.506) [0.5391, 0.9491, 0.3203]\n", + " PeriodicSite: S (11.48, 19.0, 16.15) [0.5652, 0.9354, 0.7949]\n", + " PeriodicSite: S (2.403, 17.68, 2.847) [0.1183, 0.8705, 0.1401]\n", + " PeriodicSite: S (2.757, 17.89, 12.86) [0.1357, 0.8809, 0.6332]\n", + " PeriodicSite: S (12.62, 7.432, 12.74) [0.6212, 0.3659, 0.6271]\n", + " PeriodicSite: S (12.31, 18.24, 2.504) [0.6061, 0.8979, 0.1233]\n", + " PeriodicSite: S (3.537, 3.683, 3.633) [0.1741, 0.1813, 0.1788]\n", + " PeriodicSite: S (4.066, 4.094, 13.88) [0.2002, 0.2016, 0.6832]\n", + " PeriodicSite: S (3.738, 13.77, 4.163) [0.184, 0.6778, 0.205]\n", + " PeriodicSite: S (4.239, 14.19, 14.0) [0.2087, 0.6983, 0.689]\n", + " PeriodicSite: S (13.9, 3.742, 4.022) [0.6843, 0.1842, 0.198]\n", + " PeriodicSite: S (13.55, 3.721, 14.69) [0.667, 0.1832, 0.7231]\n", + " PeriodicSite: S (13.31, 14.25, 3.673) [0.6554, 0.7016, 0.1808]\n", + " PeriodicSite: S (13.93, 14.15, 13.78) [0.6857, 0.6968, 0.6785]\n", + " PeriodicSite: S (8.678, 1.279, 6.667) [0.4272, 0.06294, 0.3282]\n", + " PeriodicSite: S (9.039, 1.23, 16.42) [0.445, 0.06056, 0.8085]\n", + " PeriodicSite: S (9.204, 11.71, 5.714) [0.4531, 0.5766, 0.2813]\n", + " PeriodicSite: S (9.332, 11.57, 16.61) [0.4594, 0.5698, 0.8176]\n", + " PeriodicSite: S (18.99, 1.214, 6.623) [0.9351, 0.05976, 0.3261]\n", + " PeriodicSite: S (18.88, 0.9766, 16.14) [0.9295, 0.04807, 0.7945]\n", + " PeriodicSite: S (18.9, 11.63, 6.722) [0.9302, 0.5725, 0.3309]\n", + " PeriodicSite: S (19.77, 11.27, 16.63) [0.9735, 0.5546, 0.8187]\n", + " PeriodicSite: S (0.9026, 1.488, 3.96) [0.04444, 0.07328, 0.195]\n", + " PeriodicSite: S (1.237, 1.345, 14.49) [0.06091, 0.06623, 0.7131]\n", + " PeriodicSite: S (1.058, 11.5, 4.185) [0.05209, 0.5662, 0.206]\n", + " PeriodicSite: S (1.632, 11.22, 13.82) [0.08036, 0.5526, 0.6805]\n", + " PeriodicSite: S (10.97, 1.472, 4.014) [0.5401, 0.07249, 0.1976]\n", + " PeriodicSite: S (11.43, 1.446, 14.09) [0.5629, 0.07116, 0.6935]\n", + " PeriodicSite: S (11.5, 10.96, 3.431) [0.5664, 0.5393, 0.1689]\n", + " PeriodicSite: S (11.65, 11.59, 14.2) [0.5736, 0.5704, 0.699]\n", + " PeriodicSite: S (6.017, 4.12, 5.863) [0.2962, 0.2028, 0.2887]\n", + " PeriodicSite: S (6.63, 4.173, 16.36) [0.3264, 0.2054, 0.8053]\n", + " PeriodicSite: S (6.15, 14.07, 6.48) [0.3028, 0.6927, 0.319]\n", + " PeriodicSite: S (6.247, 14.38, 16.62) [0.3075, 0.7081, 0.8181]\n", + " PeriodicSite: S (16.8, 3.905, 6.052) [0.827, 0.1923, 0.298]\n", + " PeriodicSite: S (16.37, 3.963, 16.71) [0.8059, 0.1951, 0.8227]\n", + " PeriodicSite: S (15.54, 13.93, 6.186) [0.765, 0.6859, 0.3045]\n", + " PeriodicSite: S (16.23, 14.2, 16.19) [0.7991, 0.6992, 0.7969]\n", + " PeriodicSite: S (7.783, 2.676, 12.51) [0.3832, 0.1318, 0.6159]\n", + " PeriodicSite: S (7.646, 12.49, 2.594) [0.3764, 0.615, 0.1277]\n", + " PeriodicSite: S (17.8, 2.196, 2.497) [0.8765, 0.1081, 0.123]\n", + " PeriodicSite: S (17.53, 12.93, 2.798) [0.8631, 0.6365, 0.1378]\n", + " PeriodicSite: S (17.58, 12.45, 12.73) [0.8655, 0.6128, 0.6269]\n", + " PeriodicSite: S (3.853, 9.108, 9.108) [0.1897, 0.4484, 0.4484]\n", + " PeriodicSite: S (3.963, 8.59, 19.18) [0.1951, 0.4229, 0.9441]\n", + " PeriodicSite: S (3.541, 19.26, 8.939) [0.1743, 0.948, 0.4401]\n", + " PeriodicSite: S (3.732, 18.79, 19.16) [0.1837, 0.9253, 0.9432]\n", + " PeriodicSite: S (14.05, 9.097, 9.081) [0.6917, 0.4478, 0.4471]\n", + " PeriodicSite: S (14.2, 8.859, 19.25) [0.6992, 0.4361, 0.9479]\n", + " PeriodicSite: S (13.92, 19.65, 9.115) [0.6853, 0.9675, 0.4487]\n", + " PeriodicSite: S (14.1, 18.73, 19.0) [0.6942, 0.922, 0.9354]\n", + " PeriodicSite: S (8.963, 6.132, 1.175) [0.4412, 0.3019, 0.05786]\n", + " PeriodicSite: S (8.763, 6.432, 11.16) [0.4314, 0.3167, 0.5495]\n", + " PeriodicSite: S (8.93, 16.79, 0.7764) [0.4396, 0.8264, 0.03823]\n", + " PeriodicSite: S (9.054, 16.36, 11.4) [0.4457, 0.8055, 0.5611]\n", + " PeriodicSite: S (18.64, 5.718, 0.7225) [0.9179, 0.2815, 0.03558]\n", + " PeriodicSite: S (19.04, 6.272, 11.36) [0.9375, 0.3088, 0.5593]\n", + " PeriodicSite: S (19.25, 15.77, 1.245) [0.9478, 0.7765, 0.0613]\n", + " PeriodicSite: S (19.08, 16.58, 11.41) [0.9394, 0.8161, 0.5617]\n", + " PeriodicSite: S (1.521, 5.922, 9.24) [0.07488, 0.2916, 0.4549]\n", + " PeriodicSite: S (1.101, 6.604, 19.26) [0.05421, 0.3251, 0.9484]\n", + " PeriodicSite: S (1.318, 16.5, 9.04) [0.06488, 0.8122, 0.445]\n", + " PeriodicSite: S (1.151, 16.31, 19.11) [0.05667, 0.8028, 0.9408]\n", + " PeriodicSite: S (11.01, 6.578, 8.659) [0.542, 0.3238, 0.4263]\n", + " PeriodicSite: S (10.96, 5.735, 18.84) [0.5396, 0.2824, 0.9275]\n", + " PeriodicSite: S (11.05, 16.41, 8.648) [0.5441, 0.808, 0.4257]\n", + " PeriodicSite: S (11.5, 16.47, 19.1) [0.5662, 0.8109, 0.9404]\n", + " PeriodicSite: S (6.653, 8.825, 0.9627) [0.3276, 0.4344, 0.0474]\n", + " PeriodicSite: S (6.019, 8.65, 11.64) [0.2963, 0.4258, 0.573]\n", + " PeriodicSite: S (6.281, 18.95, 1.195) [0.3092, 0.9328, 0.05882]\n", + " PeriodicSite: S (6.17, 18.68, 10.69) [0.3037, 0.9194, 0.5264]\n", + " PeriodicSite: S (16.56, 8.89, 1.123) [0.8151, 0.4377, 0.05529]\n", + " PeriodicSite: S (16.15, 9.186, 11.63) [0.7953, 0.4522, 0.5726]\n", + " PeriodicSite: S (16.39, 18.91, 1.227) [0.8068, 0.9311, 0.0604]\n", + " PeriodicSite: S (16.37, 19.31, 11.5) [0.8059, 0.9505, 0.566]\n", + " PeriodicSite: S (7.7, 7.695, 17.65) [0.3791, 0.3789, 0.8691]\n", + " PeriodicSite: S (7.379, 17.49, 7.537) [0.3633, 0.8611, 0.3711]\n", + " PeriodicSite: S (17.5, 7.947, 7.819) [0.8613, 0.3913, 0.3849]\n", + " PeriodicSite: S (17.56, 17.73, 7.864) [0.8643, 0.873, 0.3872]\n", + " PeriodicSite: P (4.949, 19.91, 0.07482) [0.2436, 0.98, 0.003686]\n", + " PeriodicSite: P (5.026, 20.27, 10.15) [0.2474, 0.9981, 0.4995]\n", + " PeriodicSite: P (5.319, 9.979, 20.14) [0.2618, 0.4913, 0.9913]\n", + " PeriodicSite: P (5.136, 10.1, 10.49) [0.2529, 0.4973, 0.5165]\n", + " PeriodicSite: P (15.31, 19.92, 20.0) [0.7539, 0.9807, 0.9848]\n", + " PeriodicSite: P (15.43, 0.2487, 10.25) [0.7595, 0.01224, 0.5045]\n", + " PeriodicSite: P (15.46, 10.1, 20.14) [0.7613, 0.497, 0.9915]\n", + " PeriodicSite: P (14.89, 10.39, 10.49) [0.733, 0.5114, 0.5167]\n", + " PeriodicSite: P (4.614, 4.978, 4.594) [0.2272, 0.2451, 0.2262]\n", + " PeriodicSite: P (5.37, 5.138, 15.11) [0.2644, 0.253, 0.744]\n", + " PeriodicSite: P (4.839, 15.09, 5.294) [0.2382, 0.7429, 0.2606]\n", + " PeriodicSite: P (5.174, 15.5, 15.34) [0.2547, 0.7631, 0.7551]\n", + " PeriodicSite: P (15.38, 5.02, 4.91) [0.7571, 0.2471, 0.2417]\n", + " PeriodicSite: P (15.0, 4.859, 15.52) [0.7387, 0.2392, 0.7643]\n", + " PeriodicSite: P (14.55, 15.29, 4.942) [0.7164, 0.7526, 0.2433]\n", + " PeriodicSite: P (15.34, 15.4, 14.69) [0.755, 0.7579, 0.7234]\n", + " PeriodicSite: P (20.13, 0.1573, 5.243) [0.9908, 0.007733, 0.2581]\n", + " PeriodicSite: P (0.00892, 20.13, 15.23) [0.000434, 0.991, 0.7499]\n", + " PeriodicSite: P (20.11, 10.41, 5.26) [0.9901, 0.5126, 0.259]\n", + " PeriodicSite: P (0.2019, 10.02, 15.16) [0.009941, 0.4933, 0.7462]\n", + " PeriodicSite: P (9.825, 0.1149, 5.219) [0.4837, 0.005651, 0.2569]\n", + " PeriodicSite: P (10.27, 0.1833, 15.13) [0.5055, 0.009022, 0.745]\n", + " PeriodicSite: P (10.25, 10.21, 4.86) [0.5047, 0.5028, 0.2393]\n", + " PeriodicSite: P (10.65, 10.38, 15.48) [0.5244, 0.511, 0.7622]\n", + " PeriodicSite: P (20.29, 5.031, 20.09) [0.9988, 0.2477, 0.9891]\n", + " PeriodicSite: P (0.04548, 5.11, 10.33) [0.002239, 0.2516, 0.5088]\n", + " PeriodicSite: P (0.167, 14.88, 20.15) [0.008222, 0.7326, 0.9921]\n", + " PeriodicSite: P (0.0718, 15.46, 10.25) [0.003531, 0.7613, 0.5045]\n", + " PeriodicSite: P (10.15, 4.762, 0.06499) [0.4996, 0.2344, 0.003203]\n", + " PeriodicSite: P (10.08, 5.305, 9.958) [0.4963, 0.2612, 0.4902]\n", + " PeriodicSite: P (10.22, 15.37, 20.24) [0.5031, 0.7566, 0.9965]\n", + " PeriodicSite: P (10.09, 15.19, 9.916) [0.4965, 0.748, 0.4882],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.651, 7.309, 4.258) [0.08128, 0.3598, 0.2096]\n", + " PeriodicSite: Li (19.97, 2.718, 13.6) [0.9831, 0.1338, 0.6695]\n", + " PeriodicSite: Li (0.04424, 12.35, 8.042) [0.002175, 0.6079, 0.3959]\n", + " PeriodicSite: Li (1.054, 13.1, 15.46) [0.05191, 0.6449, 0.761]\n", + " PeriodicSite: Li (14.95, 1.307, 7.363) [0.7358, 0.06432, 0.3625]\n", + " PeriodicSite: Li (11.76, 3.534, 15.86) [0.5788, 0.174, 0.7808]\n", + " PeriodicSite: Li (13.75, 12.54, 5.45) [0.677, 0.6173, 0.2683]\n", + " PeriodicSite: Li (16.01, 7.765, 15.96) [0.7883, 0.3823, 0.7856]\n", + " PeriodicSite: Li (4.005, 4.345, 7.984) [0.1972, 0.2139, 0.3931]\n", + " PeriodicSite: Li (2.821, 2.901, 0.02943) [0.1389, 0.1428, 0.00145]\n", + " PeriodicSite: Li (4.184, 8.198, 4.208) [0.206, 0.4036, 0.2072]\n", + " PeriodicSite: Li (7.45, 10.0, 16.99) [0.3668, 0.4923, 0.8365]\n", + " PeriodicSite: Li (11.96, 4.695, 6.371) [0.5886, 0.2311, 0.3137]\n", + " PeriodicSite: Li (13.06, 0.3262, 16.64) [0.6429, 0.01605, 0.8194]\n", + " PeriodicSite: Li (11.37, 9.745, 12.69) [0.5597, 0.4798, 0.6249]\n", + " PeriodicSite: Li (8.239, 19.06, 19.47) [0.4056, 0.9382, 0.9587]\n", + " PeriodicSite: Li (6.33, 1.455, 6.381) [0.3117, 0.07161, 0.3142]\n", + " PeriodicSite: Li (4.703, 18.82, 13.67) [0.2316, 0.9265, 0.6728]\n", + " PeriodicSite: Li (3.446, 11.81, 4.92) [0.1697, 0.5816, 0.2422]\n", + " PeriodicSite: Li (7.147, 9.843, 13.67) [0.3519, 0.4846, 0.673]\n", + " PeriodicSite: Li (12.53, 1.082, 9.529) [0.6169, 0.05326, 0.4691]\n", + " PeriodicSite: Li (10.38, 1.903, 19.09) [0.511, 0.09368, 0.9397]\n", + " PeriodicSite: Li (13.97, 14.91, 7.785) [0.6876, 0.7339, 0.3833]\n", + " PeriodicSite: Li (12.55, 9.552, 0.6543) [0.6179, 0.4702, 0.03222]\n", + " PeriodicSite: Li (0.3664, 4.445, 7.669) [0.01804, 0.2188, 0.3776]\n", + " PeriodicSite: Li (0.3953, 3.148, 16.82) [0.01947, 0.155, 0.8281]\n", + " PeriodicSite: Li (1.593, 14.81, 7.144) [0.07844, 0.7294, 0.3517]\n", + " PeriodicSite: Li (3.734, 15.56, 19.14) [0.1838, 0.7661, 0.9422]\n", + " PeriodicSite: Li (13.06, 1.313, 5.668) [0.6427, 0.06462, 0.279]\n", + " PeriodicSite: Li (15.42, 1.637, 17.18) [0.7591, 0.08061, 0.8459]\n", + " PeriodicSite: Li (11.84, 11.68, 9.639) [0.5831, 0.5752, 0.4745]\n", + " PeriodicSite: Li (17.17, 16.63, 0.0316) [0.8452, 0.8187, 0.001562]\n", + " PeriodicSite: Li (4.866, 1.979, 3.672) [0.2396, 0.09741, 0.1808]\n", + " PeriodicSite: Li (0.2053, 17.02, 3.396) [0.0101, 0.8377, 0.1672]\n", + " PeriodicSite: Li (2.752, 14.64, 9.869) [0.1355, 0.7209, 0.4859]\n", + " PeriodicSite: Li (19.78, 17.03, 13.74) [0.9737, 0.8385, 0.6764]\n", + " PeriodicSite: Li (14.67, 4.424, 7.615) [0.7225, 0.2178, 0.3749]\n", + " PeriodicSite: Li (13.59, 6.075, 19.28) [0.6689, 0.2991, 0.9494]\n", + " PeriodicSite: Li (17.2, 15.85, 8.595) [0.8468, 0.7802, 0.4231]\n", + " PeriodicSite: Li (11.34, 12.38, 19.13) [0.5582, 0.6094, 0.9416]\n", + " PeriodicSite: Li (1.514, 2.821, 5.175) [0.07452, 0.1389, 0.2548]\n", + " PeriodicSite: Li (1.575, 0.2869, 18.73) [0.07753, 0.01413, 0.9221]\n", + " PeriodicSite: Li (3.842, 10.43, 7.171) [0.1891, 0.5135, 0.3531]\n", + " PeriodicSite: Li (18.0, 14.37, 4.477) [0.8864, 0.7075, 0.2204]\n", + " PeriodicSite: Li (10.7, 2.266, 7.843) [0.5266, 0.1116, 0.3861]\n", + " PeriodicSite: Li (16.82, 0.3783, 13.39) [0.8282, 0.01862, 0.659]\n", + " PeriodicSite: Li (13.31, 10.34, 6.802) [0.6552, 0.5089, 0.3349]\n", + " PeriodicSite: Li (14.83, 10.93, 17.55) [0.7303, 0.5382, 0.8641]\n", + " PeriodicSite: Li (4.628, 12.57, 15.67) [0.2279, 0.6189, 0.7714]\n", + " PeriodicSite: Li (2.191, 10.82, 9.667) [0.1079, 0.5329, 0.4759]\n", + " PeriodicSite: Li (2.682, 17.46, 4.951) [0.132, 0.8598, 0.2438]\n", + " PeriodicSite: Li (2.089, 1.038, 9.813) [0.1029, 0.0511, 0.4831]\n", + " PeriodicSite: Li (13.34, 5.493, 2.249) [0.657, 0.2704, 0.1107]\n", + " PeriodicSite: Li (12.03, 7.132, 15.36) [0.5921, 0.3511, 0.7562]\n", + " PeriodicSite: Li (10.26, 13.61, 6.93) [0.5052, 0.6698, 0.3412]\n", + " PeriodicSite: Li (13.78, 18.64, 14.4) [0.6783, 0.9177, 0.7088]\n", + " PeriodicSite: Li (2.687, 5.611, 0.8045) [0.1323, 0.2762, 0.03961]\n", + " PeriodicSite: Li (3.375, 4.199, 11.3) [0.1661, 0.2067, 0.5564]\n", + " PeriodicSite: Li (7.151, 15.86, 19.52) [0.3521, 0.7809, 0.9612]\n", + " PeriodicSite: Li (2.567, 18.14, 15.14) [0.1264, 0.893, 0.7452]\n", + " PeriodicSite: Li (13.32, 3.434, 19.96) [0.6557, 0.169, 0.9826]\n", + " PeriodicSite: Li (11.04, 5.999, 12.91) [0.5437, 0.2954, 0.6354]\n", + " PeriodicSite: Li (10.83, 16.74, 3.014) [0.5333, 0.824, 0.1484]\n", + " PeriodicSite: Li (10.77, 18.02, 13.61) [0.5301, 0.8871, 0.6702]\n", + " PeriodicSite: Li (4.317, 10.54, 17.43) [0.2125, 0.5188, 0.8581]\n", + " PeriodicSite: Li (3.853, 6.935, 10.39) [0.1897, 0.3414, 0.5116]\n", + " PeriodicSite: Li (5.147, 18.12, 3.126) [0.2534, 0.8919, 0.1539]\n", + " PeriodicSite: Li (1.616, 18.37, 10.55) [0.07955, 0.9043, 0.5195]\n", + " PeriodicSite: Li (10.57, 7.276, 3.552) [0.5204, 0.3582, 0.1749]\n", + " PeriodicSite: Li (14.35, 5.589, 12.4) [0.7067, 0.2752, 0.6107]\n", + " PeriodicSite: Li (10.61, 19.67, 2.526) [0.5224, 0.9686, 0.1244]\n", + " PeriodicSite: Li (13.0, 15.95, 11.05) [0.64, 0.7851, 0.5442]\n", + " PeriodicSite: Li (2.455, 9.526, 0.905) [0.1209, 0.469, 0.04456]\n", + " PeriodicSite: Li (17.15, 5.274, 7.982) [0.8442, 0.2596, 0.3929]\n", + " PeriodicSite: Li (3.152, 19.88, 3.108) [0.1552, 0.9788, 0.153]\n", + " PeriodicSite: Li (1.527, 20.05, 12.96) [0.07515, 0.9873, 0.6382]\n", + " PeriodicSite: Li (9.524, 6.854, 6.928) [0.4689, 0.3374, 0.3411]\n", + " PeriodicSite: Li (13.39, 12.71, 15.3) [0.6592, 0.6258, 0.753]\n", + " PeriodicSite: Li (14.73, 17.08, 1.987) [0.7252, 0.8407, 0.09782]\n", + " PeriodicSite: Li (11.74, 16.85, 16.33) [0.5778, 0.8295, 0.8037]\n", + " PeriodicSite: Li (7.007, 10.53, 7.233) [0.345, 0.5183, 0.3561]\n", + " PeriodicSite: Li (19.75, 12.45, 12.15) [0.9722, 0.6131, 0.5983]\n", + " PeriodicSite: Li (19.47, 17.87, 6.486) [0.9584, 0.88, 0.3193]\n", + " PeriodicSite: Li (5.138, 17.99, 17.52) [0.253, 0.8857, 0.8626]\n", + " PeriodicSite: Li (15.94, 10.68, 2.859) [0.7849, 0.526, 0.1408]\n", + " PeriodicSite: Li (13.09, 7.75, 10.93) [0.6444, 0.3816, 0.538]\n", + " PeriodicSite: Li (13.17, 15.24, 0.02297) [0.6484, 0.7505, 0.001136]\n", + " PeriodicSite: Li (11.05, 18.16, 10.21) [0.5441, 0.8942, 0.5024]\n", + " PeriodicSite: Li (5.313, 3.05, 18.37) [0.2616, 0.1501, 0.9044]\n", + " PeriodicSite: Li (3.759, 9.842, 13.36) [0.1851, 0.4845, 0.6578]\n", + " PeriodicSite: Li (6.651, 0.04177, 2.955) [0.3275, 0.002054, 0.1455]\n", + " PeriodicSite: Li (1.991, 15.61, 13.0) [0.09801, 0.7685, 0.6398]\n", + " PeriodicSite: Li (13.21, 9.661, 3.888) [0.6502, 0.4756, 0.1914]\n", + " PeriodicSite: Li (14.63, 9.028, 13.74) [0.7202, 0.4444, 0.6763]\n", + " PeriodicSite: Li (13.17, 18.43, 4.75) [0.6486, 0.9073, 0.2339]\n", + " PeriodicSite: Li (18.14, 4.323, 15.28) [0.8932, 0.2128, 0.7521]\n", + " PeriodicSite: Li (7.24, 2.247, 0.4957) [0.3564, 0.1106, 0.0244]\n", + " PeriodicSite: Li (9.487, 2.953, 12.17) [0.467, 0.1454, 0.5992]\n", + " PeriodicSite: Li (6.793, 12.57, 4.705) [0.3344, 0.6191, 0.2316]\n", + " PeriodicSite: Li (7.269, 12.34, 15.24) [0.3578, 0.6073, 0.7505]\n", + " PeriodicSite: Li (18.79, 5.225, 3.17) [0.9249, 0.2572, 0.1561]\n", + " PeriodicSite: Li (12.79, 4.2, 9.469) [0.6299, 0.2067, 0.4661]\n", + " PeriodicSite: Li (20.08, 13.69, 2.91) [0.9884, 0.6739, 0.1433]\n", + " PeriodicSite: Li (17.59, 10.87, 13.86) [0.866, 0.5351, 0.6826]\n", + " PeriodicSite: Li (6.898, 18.93, 5.492) [0.3396, 0.9321, 0.2704]\n", + " PeriodicSite: Li (8.233, 2.631, 14.86) [0.4053, 0.1295, 0.7314]\n", + " PeriodicSite: Li (4.011, 12.78, 19.97) [0.1975, 0.6289, 0.9832]\n", + " PeriodicSite: Li (10.58, 13.46, 13.85) [0.5209, 0.6629, 0.6816]\n", + " PeriodicSite: Li (14.31, 19.98, 2.613) [0.7044, 0.9834, 0.1286]\n", + " PeriodicSite: Li (19.26, 2.146, 10.94) [0.9483, 0.1056, 0.5387]\n", + " PeriodicSite: Li (17.42, 13.43, 0.7214) [0.8576, 0.6611, 0.03552]\n", + " PeriodicSite: Li (17.13, 14.9, 11.4) [0.8433, 0.7334, 0.5614]\n", + " PeriodicSite: Li (8.319, 3.517, 4.696) [0.4096, 0.1732, 0.2312]\n", + " PeriodicSite: Li (8.195, 0.6028, 12.03) [0.4034, 0.02968, 0.5925]\n", + " PeriodicSite: Li (9.541, 12.86, 3.39) [0.4697, 0.6333, 0.1669]\n", + " PeriodicSite: Li (5.783, 12.96, 11.36) [0.2847, 0.6382, 0.5592]\n", + " PeriodicSite: Li (19.95, 1.851, 2.178) [0.9821, 0.09111, 0.1072]\n", + " PeriodicSite: Li (0.1997, 8.702, 11.95) [0.00983, 0.4284, 0.5882]\n", + " PeriodicSite: Li (15.42, 13.86, 2.405) [0.7591, 0.6821, 0.1184]\n", + " PeriodicSite: Li (15.7, 12.21, 13.87) [0.7729, 0.6011, 0.683]\n", + " PeriodicSite: Li (3.354, 0.2357, 7.019) [0.1651, 0.0116, 0.3456]\n", + " PeriodicSite: Li (7.015, 19.58, 15.82) [0.3453, 0.9638, 0.7789]\n", + " PeriodicSite: Li (5.103, 12.83, 2.071) [0.2512, 0.6316, 0.102]\n", + " PeriodicSite: Li (8.855, 7.307, 15.49) [0.436, 0.3597, 0.7628]\n", + " PeriodicSite: Li (17.62, 3.873, 0.5601) [0.8675, 0.1907, 0.02758]\n", + " PeriodicSite: Li (15.43, 17.16, 11.8) [0.7597, 0.8446, 0.5809]\n", + " PeriodicSite: Li (14.99, 13.02, 19.53) [0.738, 0.6408, 0.9614]\n", + " PeriodicSite: Li (17.61, 11.11, 11.03) [0.8668, 0.5471, 0.5432]\n", + " PeriodicSite: Li (8.237, 7.874, 19.99) [0.4055, 0.3877, 0.9843]\n", + " PeriodicSite: Li (5.422, 1.513, 13.54) [0.2669, 0.0745, 0.6667]\n", + " PeriodicSite: Li (8.876, 9.992, 1.763) [0.437, 0.4919, 0.08679]\n", + " PeriodicSite: Li (8.996, 12.15, 11.43) [0.4429, 0.5984, 0.5626]\n", + " PeriodicSite: Li (15.63, 2.985, 1.929) [0.7693, 0.147, 0.09496]\n", + " PeriodicSite: Li (16.62, 3.722, 10.67) [0.8183, 0.1832, 0.5254]\n", + " PeriodicSite: Li (0.2416, 11.81, 18.83) [0.01189, 0.5816, 0.9271]\n", + " PeriodicSite: Li (17.91, 14.43, 14.68) [0.8817, 0.7104, 0.7229]\n", + " PeriodicSite: Li (5.354, 4.339, 2.002) [0.2636, 0.2136, 0.09856]\n", + " PeriodicSite: Li (6.952, 3.092, 10.2) [0.3423, 0.1522, 0.5023]\n", + " PeriodicSite: Li (7.02, 14.76, 1.977) [0.3456, 0.7268, 0.09734]\n", + " PeriodicSite: Li (4.437, 17.06, 11.26) [0.2184, 0.8397, 0.5546]\n", + " PeriodicSite: Li (18.27, 0.3985, 0.8037) [0.8993, 0.01961, 0.03957]\n", + " PeriodicSite: Li (1.877, 6.914, 14.46) [0.0924, 0.3404, 0.7119]\n", + " PeriodicSite: Li (5.042, 13.31, 8.361) [0.2482, 0.6553, 0.4116]\n", + " PeriodicSite: Li (14.94, 13.21, 11.08) [0.7353, 0.6503, 0.5457]\n", + " PeriodicSite: Li (17.08, 11.6, 4.86) [0.8407, 0.5708, 0.2393]\n", + " PeriodicSite: Li (5.833, 7.926, 16.12) [0.2872, 0.3902, 0.7938]\n", + " PeriodicSite: Li (7.07, 15.14, 12.62) [0.3481, 0.7455, 0.6211]\n", + " PeriodicSite: Li (0.9982, 17.85, 0.7347) [0.04913, 0.8789, 0.03617]\n", + " PeriodicSite: Li (16.67, 10.42, 7.14) [0.8204, 0.513, 0.3515]\n", + " PeriodicSite: Li (3.018, 5.161, 18.37) [0.1486, 0.2541, 0.9046]\n", + " PeriodicSite: Li (17.23, 2.11, 4.863) [0.8481, 0.1039, 0.2394]\n", + " PeriodicSite: Li (18.62, 19.51, 18.08) [0.9166, 0.9605, 0.8899]\n", + " PeriodicSite: Li (5.12, 7.853, 7.064) [0.2521, 0.3866, 0.3478]\n", + " PeriodicSite: Li (8.559, 5.105, 17.6) [0.4214, 0.2513, 0.8664]\n", + " PeriodicSite: Li (7.923, 20.0, 8.262) [0.3901, 0.9845, 0.4068]\n", + " PeriodicSite: Li (8.367, 15.79, 16.71) [0.4119, 0.7775, 0.8228]\n", + " PeriodicSite: Li (17.28, 7.029, 10.13) [0.8505, 0.346, 0.4987]\n", + " PeriodicSite: Li (18.49, 8.539, 20.0) [0.9101, 0.4204, 0.9848]\n", + " PeriodicSite: Li (17.71, 20.24, 7.142) [0.872, 0.9963, 0.3516]\n", + " PeriodicSite: Li (19.77, 15.68, 17.58) [0.9735, 0.7721, 0.8656]\n", + " PeriodicSite: Li (6.901, 7.002, 9.722) [0.3397, 0.3447, 0.4786]\n", + " PeriodicSite: Li (3.43, 2.088, 15.67) [0.1689, 0.1028, 0.7717]\n", + " PeriodicSite: Li (7.757, 16.37, 9.072) [0.3819, 0.8058, 0.4466]\n", + " PeriodicSite: Li (17.52, 9.937, 16.77) [0.8625, 0.4892, 0.8257]\n", + " PeriodicSite: Li (19.5, 8.85, 8.538) [0.9598, 0.4357, 0.4203]\n", + " PeriodicSite: Li (16.62, 5.113, 18.45) [0.8184, 0.2517, 0.9085]\n", + " PeriodicSite: Li (15.33, 17.67, 9.013) [0.7545, 0.8698, 0.4437]\n", + " PeriodicSite: Li (15.44, 15.93, 17.94) [0.7601, 0.7843, 0.8833]\n", + " PeriodicSite: Li (9.757, 8.5, 9.464) [0.4803, 0.4185, 0.4659]\n", + " PeriodicSite: Li (6.56, 6.195, 0.5523) [0.3229, 0.305, 0.02719]\n", + " PeriodicSite: Li (5.065, 16.61, 8.286) [0.2494, 0.8179, 0.4079]\n", + " PeriodicSite: Li (7.941, 12.77, 0.1642) [0.3909, 0.6286, 0.008085]\n", + " PeriodicSite: Li (15.19, 7.462, 8.421) [0.7479, 0.3673, 0.4146]\n", + " PeriodicSite: Li (0.113, 6.767, 16.99) [0.005564, 0.3331, 0.8363]\n", + " PeriodicSite: Li (16.03, 17.79, 6.031) [0.7892, 0.8758, 0.2969]\n", + " PeriodicSite: Li (15.86, 18.97, 16.91) [0.781, 0.9339, 0.8327]\n", + " PeriodicSite: Li (6.408, 4.654, 12.05) [0.3155, 0.2291, 0.5933]\n", + " PeriodicSite: Li (5.566, 6.39, 18.34) [0.274, 0.3146, 0.9028]\n", + " PeriodicSite: Li (9.914, 17.76, 7.226) [0.4881, 0.8745, 0.3558]\n", + " PeriodicSite: Li (11.49, 18.13, 0.2948) [0.5658, 0.8926, 0.01452]\n", + " PeriodicSite: Li (16.06, 7.946, 5.81) [0.7907, 0.3912, 0.286]\n", + " PeriodicSite: Li (16.15, 6.758, 1.114) [0.795, 0.3327, 0.05487]\n", + " PeriodicSite: Li (18.27, 18.47, 9.543) [0.8993, 0.9093, 0.4698]\n", + " PeriodicSite: Li (16.9, 20.14, 3.37) [0.8318, 0.9913, 0.1659]\n", + " PeriodicSite: Li (6.298, 10.13, 3.099) [0.3101, 0.4987, 0.1526]\n", + " PeriodicSite: Li (10.08, 8.269, 18.07) [0.496, 0.4071, 0.8894]\n", + " PeriodicSite: Li (7.984, 16.04, 5.861) [0.3931, 0.7895, 0.2885]\n", + " PeriodicSite: Li (4.226, 0.3658, 17.76) [0.208, 0.01801, 0.8746]\n", + " PeriodicSite: Li (19.15, 7.4, 5.983) [0.9427, 0.3643, 0.2945]\n", + " PeriodicSite: Li (19.51, 10.73, 2.387) [0.9603, 0.5281, 0.1175]\n", + " PeriodicSite: Li (3.527, 15.4, 2.253) [0.1736, 0.758, 0.1109]\n", + " PeriodicSite: Li (13.87, 1.632, 13.88) [0.6829, 0.08035, 0.6834]\n", + " PeriodicSite: Cl (7.99, 13.04, 13.15) [0.3934, 0.6419, 0.6472]\n", + " PeriodicSite: Cl (3.243, 12.46, 17.51) [0.1596, 0.6134, 0.8619]\n", + " PeriodicSite: Cl (12.53, 17.8, 12.3) [0.6169, 0.8765, 0.6056]\n", + " PeriodicSite: Cl (18.02, 7.366, 17.43) [0.887, 0.3626, 0.8582]\n", + " PeriodicSite: Cl (7.25, 2.338, 2.78) [0.3569, 0.1151, 0.1368]\n", + " PeriodicSite: Cl (7.554, 8.132, 7.542) [0.3719, 0.4004, 0.3713]\n", + " PeriodicSite: Cl (12.58, 12.68, 7.394) [0.6192, 0.6243, 0.364]\n", + " PeriodicSite: Cl (2.811, 7.991, 2.574) [0.1384, 0.3934, 0.1267]\n", + " PeriodicSite: Cl (2.485, 8.081, 12.4) [0.1223, 0.3978, 0.6107]\n", + " PeriodicSite: Cl (13.25, 12.45, 17.66) [0.6523, 0.6128, 0.8697]\n", + " PeriodicSite: Cl (17.73, 17.29, 18.03) [0.8729, 0.8513, 0.8878]\n", + " PeriodicSite: Cl (2.523, 2.904, 7.432) [0.1242, 0.143, 0.3659]\n", + " PeriodicSite: Cl (12.53, 2.226, 17.81) [0.6169, 0.1096, 0.8767]\n", + " PeriodicSite: Cl (12.77, 7.849, 2.359) [0.6286, 0.3864, 0.1161]\n", + " PeriodicSite: Cl (17.67, 2.644, 12.87) [0.8699, 0.1302, 0.6336]\n", + " PeriodicSite: Cl (7.394, 17.7, 17.78) [0.364, 0.8713, 0.8755]\n", + " PeriodicSite: Cl (20.2, 20.16, 0.1925) [0.9944, 0.9926, 0.009483]\n", + " PeriodicSite: Cl (0.2334, 0.09658, 10.35) [0.01149, 0.004756, 0.5097]\n", + " PeriodicSite: Cl (0.08188, 10.12, 0.3901) [0.004026, 0.4984, 0.01921]\n", + " PeriodicSite: Cl (19.88, 10.24, 10.36) [0.9785, 0.504, 0.5098]\n", + " PeriodicSite: Cl (9.75, 20.21, 0.2871) [0.48, 0.9951, 0.01414]\n", + " PeriodicSite: Cl (10.29, 0.4022, 10.27) [0.5066, 0.0198, 0.5058]\n", + " PeriodicSite: Cl (10.16, 9.685, 19.99) [0.5003, 0.4768, 0.984]\n", + " PeriodicSite: Cl (9.991, 10.25, 10.99) [0.4919, 0.5047, 0.5412]\n", + " PeriodicSite: Cl (0.03552, 5.335, 4.782) [0.001748, 0.2627, 0.2354]\n", + " PeriodicSite: Cl (20.24, 5.07, 15.53) [0.9966, 0.2496, 0.7645]\n", + " PeriodicSite: Cl (19.96, 15.22, 5.094) [0.9826, 0.7492, 0.2508]\n", + " PeriodicSite: Cl (20.2, 14.96, 15.16) [0.9944, 0.7366, 0.7466]\n", + " PeriodicSite: Cl (9.948, 5.227, 5.145) [0.4898, 0.2573, 0.2533]\n", + " PeriodicSite: Cl (10.08, 5.186, 15.27) [0.496, 0.2553, 0.7517]\n", + " PeriodicSite: Cl (9.751, 15.21, 4.841) [0.4801, 0.7487, 0.2383]\n", + " PeriodicSite: Cl (10.16, 15.78, 15.05) [0.5, 0.777, 0.7409]\n", + " PeriodicSite: S (4.953, 20.09, 4.789) [0.2438, 0.989, 0.2357]\n", + " PeriodicSite: S (4.503, 20.25, 15.56) [0.2217, 0.9969, 0.7661]\n", + " PeriodicSite: S (5.174, 10.13, 5.375) [0.2547, 0.4985, 0.2646]\n", + " PeriodicSite: S (5.671, 10.55, 15.18) [0.2792, 0.5194, 0.7473]\n", + " PeriodicSite: S (15.22, 0.1895, 5.082) [0.7495, 0.009323, 0.2502]\n", + " PeriodicSite: S (15.05, 0.1948, 15.26) [0.7411, 0.009587, 0.7512]\n", + " PeriodicSite: S (15.18, 10.12, 5.126) [0.7473, 0.4983, 0.2524]\n", + " PeriodicSite: S (15.57, 10.29, 15.41) [0.7663, 0.5064, 0.7588]\n", + " PeriodicSite: S (4.796, 4.805, 19.99) [0.2361, 0.2366, 0.984]\n", + " PeriodicSite: S (5.135, 4.851, 10.15) [0.2528, 0.2388, 0.4997]\n", + " PeriodicSite: S (4.967, 14.72, 0.5278) [0.2445, 0.7245, 0.02599]\n", + " PeriodicSite: S (5.324, 15.15, 10.07) [0.2621, 0.7457, 0.496]\n", + " PeriodicSite: S (15.15, 4.572, 0.2829) [0.7458, 0.2251, 0.01393]\n", + " PeriodicSite: S (15.36, 5.33, 9.826) [0.7564, 0.2624, 0.4838]\n", + " PeriodicSite: S (15.42, 15.02, 0.2152) [0.7592, 0.7396, 0.0106]\n", + " PeriodicSite: S (15.21, 15.57, 9.883) [0.7489, 0.7663, 0.4866]\n", + " PeriodicSite: S (8.997, 4.204, 8.637) [0.4429, 0.207, 0.4252]\n", + " PeriodicSite: S (8.503, 3.527, 19.33) [0.4186, 0.1736, 0.9517]\n", + " PeriodicSite: S (9.004, 13.68, 9.134) [0.4433, 0.6733, 0.4497]\n", + " PeriodicSite: S (9.335, 13.79, 18.73) [0.4596, 0.679, 0.9221]\n", + " PeriodicSite: S (18.81, 3.96, 9.403) [0.9262, 0.1949, 0.4629]\n", + " PeriodicSite: S (18.99, 3.905, 18.73) [0.9348, 0.1922, 0.9222]\n", + " PeriodicSite: S (18.88, 14.25, 9.145) [0.9295, 0.7014, 0.4502]\n", + " PeriodicSite: S (19.26, 14.11, 19.21) [0.9484, 0.6944, 0.9458]\n", + " PeriodicSite: S (3.982, 0.8964, 1.144) [0.196, 0.04413, 0.05631]\n", + " PeriodicSite: S (3.751, 1.086, 11.43) [0.1847, 0.05344, 0.5627]\n", + " PeriodicSite: S (4.049, 10.94, 1.259) [0.1993, 0.5388, 0.06197]\n", + " PeriodicSite: S (3.758, 11.09, 11.59) [0.185, 0.5459, 0.5706]\n", + " PeriodicSite: S (14.01, 0.8058, 0.6651) [0.6895, 0.03966, 0.03275]\n", + " PeriodicSite: S (14.0, 1.614, 11.37) [0.6894, 0.07947, 0.5596]\n", + " PeriodicSite: S (14.07, 11.4, 0.9533) [0.6926, 0.5614, 0.04694]\n", + " PeriodicSite: S (13.64, 11.05, 12.0) [0.6715, 0.5441, 0.5907]\n", + " PeriodicSite: S (5.956, 1.323, 8.679) [0.2932, 0.06512, 0.4273]\n", + " PeriodicSite: S (6.26, 0.5724, 18.82) [0.3082, 0.02818, 0.9265]\n", + " PeriodicSite: S (6.384, 11.23, 9.494) [0.3143, 0.553, 0.4674]\n", + " PeriodicSite: S (6.353, 11.07, 18.94) [0.3128, 0.5448, 0.9322]\n", + " PeriodicSite: S (16.51, 1.486, 9.108) [0.813, 0.07313, 0.4484]\n", + " PeriodicSite: S (16.77, 0.6466, 19.22) [0.8257, 0.03183, 0.946]\n", + " PeriodicSite: S (15.89, 11.6, 9.428) [0.7821, 0.5709, 0.4642]\n", + " PeriodicSite: S (16.74, 11.25, 18.98) [0.8242, 0.5539, 0.9345]\n", + " PeriodicSite: S (0.7641, 3.861, 1.203) [0.03762, 0.1901, 0.05921]\n", + " PeriodicSite: S (0.7942, 3.749, 11.58) [0.0391, 0.1845, 0.5699]\n", + " PeriodicSite: S (1.497, 13.76, 0.9575) [0.07368, 0.6776, 0.04714]\n", + " PeriodicSite: S (0.9788, 14.21, 11.46) [0.04818, 0.6998, 0.564]\n", + " PeriodicSite: S (11.27, 3.583, 1.006) [0.5546, 0.1764, 0.04951]\n", + " PeriodicSite: S (11.23, 4.322, 11.21) [0.5527, 0.2128, 0.5519]\n", + " PeriodicSite: S (11.46, 14.04, 1.078) [0.564, 0.691, 0.05307]\n", + " PeriodicSite: S (11.37, 14.03, 11.47) [0.5599, 0.6908, 0.5649]\n", + " PeriodicSite: S (2.792, 2.716, 17.96) [0.1375, 0.1337, 0.8842]\n", + " PeriodicSite: S (2.68, 12.58, 8.075) [0.132, 0.6192, 0.3976]\n", + " PeriodicSite: S (12.91, 2.758, 7.704) [0.6355, 0.1358, 0.3793]\n", + " PeriodicSite: S (8.545, 9.124, 4.079) [0.4207, 0.4492, 0.2008]\n", + " PeriodicSite: S (9.367, 9.133, 14.26) [0.4612, 0.4496, 0.7022]\n", + " PeriodicSite: S (8.825, 19.65, 3.952) [0.4345, 0.9674, 0.1945]\n", + " PeriodicSite: S (8.875, 19.32, 14.05) [0.4369, 0.9509, 0.6918]\n", + " PeriodicSite: S (18.73, 8.896, 4.121) [0.9219, 0.4379, 0.2029]\n", + " PeriodicSite: S (19.18, 8.612, 14.47) [0.9443, 0.424, 0.7123]\n", + " PeriodicSite: S (19.18, 18.99, 4.133) [0.9443, 0.9347, 0.2035]\n", + " PeriodicSite: S (19.76, 19.33, 13.77) [0.9729, 0.9519, 0.678]\n", + " PeriodicSite: S (3.572, 6.238, 5.961) [0.1759, 0.3071, 0.2935]\n", + " PeriodicSite: S (4.147, 6.353, 16.16) [0.2042, 0.3128, 0.7956]\n", + " PeriodicSite: S (3.878, 16.08, 6.556) [0.1909, 0.7915, 0.3228]\n", + " PeriodicSite: S (3.794, 16.17, 16.49) [0.1868, 0.7963, 0.8116]\n", + " PeriodicSite: S (13.88, 6.31, 5.991) [0.6832, 0.3106, 0.295]\n", + " PeriodicSite: S (14.06, 6.482, 16.79) [0.6924, 0.3191, 0.8264]\n", + " PeriodicSite: S (13.57, 16.61, 6.16) [0.6682, 0.8178, 0.3032]\n", + " PeriodicSite: S (14.28, 16.58, 15.74) [0.7029, 0.8163, 0.7751]\n", + " PeriodicSite: S (5.764, 6.388, 3.533) [0.2838, 0.3145, 0.1739]\n", + " PeriodicSite: S (6.57, 6.369, 13.96) [0.3235, 0.3136, 0.6875]\n", + " PeriodicSite: S (6.355, 16.19, 4.127) [0.3129, 0.797, 0.2032]\n", + " PeriodicSite: S (6.053, 16.92, 14.17) [0.298, 0.8332, 0.6976]\n", + " PeriodicSite: S (16.31, 6.558, 3.525) [0.803, 0.3229, 0.1736]\n", + " PeriodicSite: S (16.43, 5.927, 14.5) [0.8088, 0.2918, 0.714]\n", + " PeriodicSite: S (16.22, 16.47, 3.899) [0.7984, 0.8109, 0.192]\n", + " PeriodicSite: S (16.57, 15.92, 13.58) [0.8157, 0.7836, 0.6687]\n", + " PeriodicSite: S (0.9521, 9.262, 6.333) [0.04687, 0.456, 0.3118]\n", + " PeriodicSite: S (1.804, 8.733, 16.06) [0.0888, 0.4299, 0.7904]\n", + " PeriodicSite: S (1.112, 19.04, 6.489) [0.05472, 0.9373, 0.3195]\n", + " PeriodicSite: S (0.8496, 19.11, 16.77) [0.04182, 0.9406, 0.8254]\n", + " PeriodicSite: S (11.07, 8.924, 6.338) [0.5451, 0.4393, 0.312]\n", + " PeriodicSite: S (11.79, 8.963, 16.7) [0.5803, 0.4412, 0.8219]\n", + " PeriodicSite: S (11.41, 19.48, 6.338) [0.5615, 0.9591, 0.312]\n", + " PeriodicSite: S (11.55, 19.08, 15.68) [0.5686, 0.9391, 0.772]\n", + " PeriodicSite: S (2.425, 17.56, 2.587) [0.1194, 0.8646, 0.1274]\n", + " PeriodicSite: S (2.679, 17.82, 12.66) [0.1319, 0.8773, 0.6233]\n", + " PeriodicSite: S (12.85, 7.394, 13.08) [0.6325, 0.364, 0.6437]\n", + " PeriodicSite: S (12.53, 18.31, 2.37) [0.6167, 0.9014, 0.1167]\n", + " PeriodicSite: S (3.385, 4.057, 3.458) [0.1666, 0.1997, 0.1702]\n", + " PeriodicSite: S (4.246, 3.879, 13.95) [0.2091, 0.1909, 0.6867]\n", + " PeriodicSite: S (4.15, 13.93, 3.871) [0.2043, 0.6858, 0.1906]\n", + " PeriodicSite: S (4.244, 14.21, 13.88) [0.2089, 0.6997, 0.6835]\n", + " PeriodicSite: S (14.39, 3.645, 4.032) [0.7086, 0.1794, 0.1985]\n", + " PeriodicSite: S (13.66, 3.994, 14.55) [0.6726, 0.1966, 0.7163]\n", + " PeriodicSite: S (13.5, 14.53, 3.592) [0.6645, 0.7152, 0.1769]\n", + " PeriodicSite: S (13.77, 14.23, 13.43) [0.678, 0.7007, 0.6613]\n", + " PeriodicSite: S (8.792, 1.394, 6.564) [0.4328, 0.06864, 0.3232]\n", + " PeriodicSite: S (9.071, 1.096, 16.56) [0.4466, 0.05394, 0.8154]\n", + " PeriodicSite: S (8.965, 11.59, 6.077) [0.4413, 0.5705, 0.2992]\n", + " PeriodicSite: S (9.378, 11.22, 16.95) [0.4617, 0.5524, 0.8343]\n", + " PeriodicSite: S (19.44, 1.526, 6.11) [0.9569, 0.07512, 0.3008]\n", + " PeriodicSite: S (18.73, 0.997, 16.28) [0.9222, 0.04907, 0.8015]\n", + " PeriodicSite: S (18.98, 11.59, 6.263) [0.9343, 0.5707, 0.3083]\n", + " PeriodicSite: S (19.67, 11.33, 16.6) [0.9686, 0.5579, 0.8172]\n", + " PeriodicSite: S (1.385, 0.9363, 3.782) [0.06818, 0.0461, 0.1862]\n", + " PeriodicSite: S (1.411, 1.48, 14.6) [0.06948, 0.07288, 0.719]\n", + " PeriodicSite: S (0.8475, 11.37, 3.697) [0.04172, 0.56, 0.182]\n", + " PeriodicSite: S (1.254, 11.2, 13.89) [0.06172, 0.5514, 0.684]\n", + " PeriodicSite: S (11.2, 1.873, 4.383) [0.5514, 0.0922, 0.2158]\n", + " PeriodicSite: S (10.96, 1.7, 13.96) [0.5394, 0.08371, 0.6873]\n", + " PeriodicSite: S (11.47, 11.27, 3.972) [0.5647, 0.5547, 0.1955]\n", + " PeriodicSite: S (11.57, 11.45, 14.26) [0.5698, 0.5636, 0.7018]\n", + " PeriodicSite: S (5.943, 3.793, 5.686) [0.2926, 0.1867, 0.2799]\n", + " PeriodicSite: S (6.544, 3.87, 16.38) [0.3222, 0.1905, 0.8063]\n", + " PeriodicSite: S (6.562, 13.98, 6.538) [0.323, 0.6883, 0.3219]\n", + " PeriodicSite: S (6.572, 14.28, 16.46) [0.3235, 0.7031, 0.8103]\n", + " PeriodicSite: S (16.78, 4.269, 6.122) [0.8262, 0.2102, 0.3014]\n", + " PeriodicSite: S (16.25, 3.716, 16.74) [0.8002, 0.1829, 0.8242]\n", + " PeriodicSite: S (15.71, 14.01, 6.097) [0.7733, 0.6898, 0.3002]\n", + " PeriodicSite: S (15.8, 13.69, 16.12) [0.7779, 0.6738, 0.7934]\n", + " PeriodicSite: S (7.343, 2.574, 12.64) [0.3615, 0.1267, 0.6223]\n", + " PeriodicSite: S (7.449, 12.43, 2.326) [0.3667, 0.612, 0.1145]\n", + " PeriodicSite: S (17.65, 2.029, 2.335) [0.8688, 0.09987, 0.115]\n", + " PeriodicSite: S (17.56, 12.63, 2.901) [0.8645, 0.6217, 0.1428]\n", + " PeriodicSite: S (17.51, 12.71, 12.6) [0.8621, 0.6259, 0.6204]\n", + " PeriodicSite: S (3.872, 8.963, 9.005) [0.1906, 0.4413, 0.4433]\n", + " PeriodicSite: S (4.026, 8.709, 19.2) [0.1982, 0.4288, 0.9452]\n", + " PeriodicSite: S (3.758, 19.22, 8.993) [0.185, 0.946, 0.4427]\n", + " PeriodicSite: S (3.656, 18.75, 19.22) [0.18, 0.9233, 0.9463]\n", + " PeriodicSite: S (13.56, 9.131, 9.26) [0.6677, 0.4495, 0.4559]\n", + " PeriodicSite: S (14.42, 8.873, 18.96) [0.7099, 0.4368, 0.9335]\n", + " PeriodicSite: S (13.99, 19.65, 8.94) [0.6887, 0.9674, 0.4401]\n", + " PeriodicSite: S (14.47, 18.67, 18.79) [0.7124, 0.919, 0.9251]\n", + " PeriodicSite: S (8.965, 5.985, 1.316) [0.4414, 0.2947, 0.0648]\n", + " PeriodicSite: S (8.811, 6.506, 11.07) [0.4338, 0.3203, 0.5448]\n", + " PeriodicSite: S (8.959, 16.23, 0.8807) [0.441, 0.7992, 0.04336]\n", + " PeriodicSite: S (9.231, 16.51, 11.07) [0.4545, 0.813, 0.5451]\n", + " PeriodicSite: S (18.84, 6.138, 0.8586) [0.9274, 0.3022, 0.04228]\n", + " PeriodicSite: S (19.19, 6.519, 11.48) [0.9445, 0.3209, 0.565]\n", + " PeriodicSite: S (19.4, 16.21, 1.48) [0.9553, 0.7978, 0.07285]\n", + " PeriodicSite: S (19.28, 16.88, 11.39) [0.949, 0.831, 0.5607]\n", + " PeriodicSite: S (1.214, 6.002, 9.157) [0.05975, 0.2955, 0.4508]\n", + " PeriodicSite: S (1.068, 6.424, 19.31) [0.05258, 0.3163, 0.9508]\n", + " PeriodicSite: S (1.237, 16.45, 8.917) [0.06089, 0.8101, 0.439]\n", + " PeriodicSite: S (1.153, 16.32, 19.08) [0.05677, 0.8035, 0.9395]\n", + " PeriodicSite: S (11.27, 6.58, 8.797) [0.5546, 0.3239, 0.4331]\n", + " PeriodicSite: S (10.94, 5.617, 18.81) [0.5388, 0.2765, 0.9258]\n", + " PeriodicSite: S (11.53, 16.01, 8.781) [0.5677, 0.788, 0.4323]\n", + " PeriodicSite: S (11.39, 16.46, 19.06) [0.5606, 0.8101, 0.9383]\n", + " PeriodicSite: S (6.716, 8.991, 1.08) [0.3306, 0.4427, 0.05318]\n", + " PeriodicSite: S (5.925, 8.47, 11.5) [0.2917, 0.417, 0.5663]\n", + " PeriodicSite: S (6.147, 18.74, 1.085) [0.3026, 0.9225, 0.05343]\n", + " PeriodicSite: S (6.202, 19.08, 11.24) [0.3053, 0.9392, 0.5532]\n", + " PeriodicSite: S (16.7, 9.134, 1.081) [0.8223, 0.4497, 0.05324]\n", + " PeriodicSite: S (16.18, 9.079, 11.57) [0.7968, 0.447, 0.5695]\n", + " PeriodicSite: S (16.39, 18.68, 1.191) [0.8067, 0.9196, 0.05864]\n", + " PeriodicSite: S (16.39, 19.37, 11.28) [0.8069, 0.9537, 0.5555]\n", + " PeriodicSite: S (7.759, 7.488, 17.66) [0.382, 0.3686, 0.8694]\n", + " PeriodicSite: S (7.532, 17.71, 7.346) [0.3708, 0.8717, 0.3617]\n", + " PeriodicSite: S (17.52, 7.709, 7.727) [0.8624, 0.3795, 0.3804]\n", + " PeriodicSite: S (17.46, 17.86, 7.519) [0.8595, 0.8793, 0.3702]\n", + " PeriodicSite: P (5.02, 20.01, 20.26) [0.2471, 0.9852, 0.9972]\n", + " PeriodicSite: P (4.974, 0.01244, 10.1) [0.2449, 0.0006108, 0.4971]\n", + " PeriodicSite: P (5.311, 9.917, 20.22) [0.2615, 0.4882, 0.9952]\n", + " PeriodicSite: P (5.014, 9.973, 10.45) [0.2469, 0.491, 0.5143]\n", + " PeriodicSite: P (15.43, 19.91, 20.17) [0.7598, 0.9802, 0.9931]\n", + " PeriodicSite: P (15.16, 0.3831, 10.27) [0.7464, 0.01885, 0.5055]\n", + " PeriodicSite: P (15.39, 10.17, 20.17) [0.7579, 0.5007, 0.993]\n", + " PeriodicSite: P (14.9, 10.21, 10.57) [0.7333, 0.5027, 0.5204]\n", + " PeriodicSite: P (4.748, 5.081, 4.708) [0.2338, 0.2502, 0.2318]\n", + " PeriodicSite: P (5.33, 5.09, 15.16) [0.2624, 0.2506, 0.7464]\n", + " PeriodicSite: P (5.145, 15.06, 5.37) [0.2533, 0.7414, 0.2644]\n", + " PeriodicSite: P (5.153, 15.41, 15.2) [0.2537, 0.7586, 0.7484]\n", + " PeriodicSite: P (15.38, 5.183, 4.858) [0.757, 0.2552, 0.2392]\n", + " PeriodicSite: P (15.02, 5.018, 15.68) [0.7397, 0.247, 0.7719]\n", + " PeriodicSite: P (14.78, 15.41, 4.945) [0.7278, 0.7587, 0.2434]\n", + " PeriodicSite: P (15.12, 15.04, 14.72) [0.7444, 0.7403, 0.7248]\n", + " PeriodicSite: P (0.09393, 20.27, 5.085) [0.004616, 0.9979, 0.2503]\n", + " PeriodicSite: P (0.03139, 0.1092, 15.45) [0.00155, 0.005377, 0.7609]\n", + " PeriodicSite: P (20.03, 10.3, 5.078) [0.9859, 0.507, 0.25]\n", + " PeriodicSite: P (0.2859, 10.01, 15.21) [0.01407, 0.4928, 0.7486]\n", + " PeriodicSite: P (10.09, 0.4549, 5.224) [0.4969, 0.02239, 0.2572]\n", + " PeriodicSite: P (10.19, 0.2194, 15.11) [0.5016, 0.0108, 0.7439]\n", + " PeriodicSite: P (10.04, 10.21, 5.035) [0.4941, 0.5028, 0.2479]\n", + " PeriodicSite: P (10.49, 10.22, 15.62) [0.5166, 0.5033, 0.769]\n", + " PeriodicSite: P (20.16, 4.986, 20.12) [0.9925, 0.2455, 0.9904]\n", + " PeriodicSite: P (20.13, 5.12, 10.47) [0.9911, 0.252, 0.5152]\n", + " PeriodicSite: P (0.2847, 15.08, 0.1263) [0.01401, 0.7422, 0.006217]\n", + " PeriodicSite: P (20.2, 15.54, 10.15) [0.9945, 0.7653, 0.4996]\n", + " PeriodicSite: P (9.908, 4.73, 0.09414) [0.4878, 0.2328, 0.004638]\n", + " PeriodicSite: P (10.05, 5.389, 10.02) [0.4949, 0.2653, 0.4931]\n", + " PeriodicSite: P (10.2, 15.1, 20.04) [0.5021, 0.7432, 0.9864]\n", + " PeriodicSite: P (10.21, 15.02, 10.14) [0.5028, 0.7396, 0.4994],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.408, 7.304, 4.316) [0.06933, 0.3596, 0.2125]\n", + " PeriodicSite: Li (20.0, 3.901, 13.42) [0.9849, 0.1921, 0.6606]\n", + " PeriodicSite: Li (20.16, 12.43, 8.338) [0.9927, 0.6121, 0.4105]\n", + " PeriodicSite: Li (0.8906, 13.0, 16.26) [0.04384, 0.64, 0.8007]\n", + " PeriodicSite: Li (14.76, 1.34, 7.286) [0.7266, 0.06596, 0.3587]\n", + " PeriodicSite: Li (11.68, 3.035, 15.55) [0.575, 0.1494, 0.7655]\n", + " PeriodicSite: Li (14.16, 12.81, 5.636) [0.697, 0.6304, 0.2775]\n", + " PeriodicSite: Li (15.64, 7.84, 15.63) [0.7701, 0.386, 0.7697]\n", + " PeriodicSite: Li (4.233, 4.471, 7.898) [0.2084, 0.2201, 0.3888]\n", + " PeriodicSite: Li (3.07, 3.174, 20.05) [0.1511, 0.1563, 0.9869]\n", + " PeriodicSite: Li (4.778, 8.15, 3.866) [0.2352, 0.4012, 0.1903]\n", + " PeriodicSite: Li (7.296, 9.629, 17.14) [0.3592, 0.4741, 0.8438]\n", + " PeriodicSite: Li (12.41, 4.836, 5.729) [0.6109, 0.2381, 0.2821]\n", + " PeriodicSite: Li (13.25, 20.17, 16.9) [0.6521, 0.9929, 0.8321]\n", + " PeriodicSite: Li (11.41, 9.934, 12.62) [0.5615, 0.489, 0.6211]\n", + " PeriodicSite: Li (8.064, 19.16, 19.44) [0.397, 0.9431, 0.9569]\n", + " PeriodicSite: Li (6.044, 1.131, 6.432) [0.2976, 0.05569, 0.3166]\n", + " PeriodicSite: Li (4.684, 18.61, 13.43) [0.2306, 0.9162, 0.6613]\n", + " PeriodicSite: Li (3.277, 11.37, 4.411) [0.1613, 0.5596, 0.2171]\n", + " PeriodicSite: Li (6.597, 9.836, 13.44) [0.3248, 0.4842, 0.6617]\n", + " PeriodicSite: Li (12.36, 0.9632, 9.305) [0.6083, 0.04742, 0.4581]\n", + " PeriodicSite: Li (10.29, 1.703, 19.42) [0.5067, 0.08386, 0.9561]\n", + " PeriodicSite: Li (13.68, 14.91, 8.227) [0.6734, 0.7341, 0.405]\n", + " PeriodicSite: Li (12.66, 9.161, 0.364) [0.6232, 0.451, 0.01792]\n", + " PeriodicSite: Li (0.5398, 4.276, 7.669) [0.02657, 0.2105, 0.3775]\n", + " PeriodicSite: Li (0.4332, 3.233, 17.28) [0.02133, 0.1592, 0.8508]\n", + " PeriodicSite: Li (1.963, 14.38, 6.402) [0.09663, 0.7082, 0.3152]\n", + " PeriodicSite: Li (3.718, 15.21, 18.39) [0.183, 0.7487, 0.9052]\n", + " PeriodicSite: Li (12.66, 1.598, 5.577) [0.6234, 0.07866, 0.2746]\n", + " PeriodicSite: Li (15.3, 1.636, 16.99) [0.7533, 0.08054, 0.8366]\n", + " PeriodicSite: Li (12.17, 12.15, 9.762) [0.5991, 0.5981, 0.4806]\n", + " PeriodicSite: Li (17.25, 16.65, 20.27) [0.8491, 0.8199, 0.998]\n", + " PeriodicSite: Li (4.159, 1.697, 4.074) [0.2048, 0.08352, 0.2006]\n", + " PeriodicSite: Li (0.4586, 16.58, 3.39) [0.02257, 0.8164, 0.1669]\n", + " PeriodicSite: Li (2.801, 14.46, 9.562) [0.1379, 0.7119, 0.4707]\n", + " PeriodicSite: Li (19.8, 17.2, 13.51) [0.975, 0.8467, 0.665]\n", + " PeriodicSite: Li (14.36, 4.789, 7.883) [0.7069, 0.2358, 0.3881]\n", + " PeriodicSite: Li (13.53, 6.364, 18.98) [0.6661, 0.3133, 0.9346]\n", + " PeriodicSite: Li (17.03, 15.69, 8.27) [0.8386, 0.7726, 0.4071]\n", + " PeriodicSite: Li (10.42, 11.89, 18.58) [0.5131, 0.5856, 0.9149]\n", + " PeriodicSite: Li (1.355, 2.803, 4.855) [0.06672, 0.138, 0.239]\n", + " PeriodicSite: Li (1.532, 0.466, 18.44) [0.07543, 0.02294, 0.9079]\n", + " PeriodicSite: Li (3.057, 10.3, 7.062) [0.1505, 0.5069, 0.3477]\n", + " PeriodicSite: Li (17.82, 14.66, 4.108) [0.8775, 0.7219, 0.2022]\n", + " PeriodicSite: Li (10.53, 3.263, 7.569) [0.5184, 0.1606, 0.3726]\n", + " PeriodicSite: Li (17.22, 1.147, 14.95) [0.8479, 0.05648, 0.7358]\n", + " PeriodicSite: Li (13.47, 9.906, 7.02) [0.663, 0.4877, 0.3456]\n", + " PeriodicSite: Li (14.01, 10.25, 17.22) [0.6897, 0.5044, 0.8476]\n", + " PeriodicSite: Li (4.567, 12.18, 15.59) [0.2248, 0.5998, 0.7674]\n", + " PeriodicSite: Li (2.095, 11.18, 9.451) [0.1031, 0.5505, 0.4653]\n", + " PeriodicSite: Li (3.345, 18.13, 4.884) [0.1647, 0.8926, 0.2404]\n", + " PeriodicSite: Li (1.779, 1.473, 9.323) [0.0876, 0.07253, 0.459]\n", + " PeriodicSite: Li (13.04, 5.802, 1.51) [0.642, 0.2856, 0.07434]\n", + " PeriodicSite: Li (12.35, 6.996, 15.0) [0.608, 0.3444, 0.7383]\n", + " PeriodicSite: Li (10.43, 13.21, 6.585) [0.5135, 0.6503, 0.3242]\n", + " PeriodicSite: Li (14.09, 18.87, 14.05) [0.6938, 0.9291, 0.6918]\n", + " PeriodicSite: Li (2.909, 5.08, 1.573) [0.1432, 0.2501, 0.07743]\n", + " PeriodicSite: Li (4.058, 3.729, 11.7) [0.1998, 0.1836, 0.5759]\n", + " PeriodicSite: Li (6.587, 15.22, 18.5) [0.3243, 0.7493, 0.9108]\n", + " PeriodicSite: Li (2.719, 18.4, 15.11) [0.1338, 0.9061, 0.7438]\n", + " PeriodicSite: Li (13.28, 3.733, 19.39) [0.6539, 0.1838, 0.9545]\n", + " PeriodicSite: Li (10.99, 6.121, 12.87) [0.5409, 0.3013, 0.6336]\n", + " PeriodicSite: Li (11.27, 16.15, 2.8) [0.5549, 0.7949, 0.1379]\n", + " PeriodicSite: Li (10.35, 17.72, 13.8) [0.5096, 0.8722, 0.6794]\n", + " PeriodicSite: Li (3.747, 10.23, 17.66) [0.1845, 0.5037, 0.8693]\n", + " PeriodicSite: Li (4.183, 7.207, 11.18) [0.2059, 0.3548, 0.5503]\n", + " PeriodicSite: Li (5.116, 17.8, 3.056) [0.2519, 0.8764, 0.1505]\n", + " PeriodicSite: Li (1.545, 17.95, 10.38) [0.07607, 0.8836, 0.5108]\n", + " PeriodicSite: Li (10.3, 6.68, 3.142) [0.507, 0.3289, 0.1547]\n", + " PeriodicSite: Li (14.85, 6.746, 12.55) [0.7309, 0.3321, 0.6178]\n", + " PeriodicSite: Li (11.3, 20.13, 2.192) [0.5563, 0.9912, 0.1079]\n", + " PeriodicSite: Li (13.21, 15.35, 11.56) [0.6505, 0.7556, 0.5693]\n", + " PeriodicSite: Li (2.398, 8.864, 0.349) [0.1181, 0.4364, 0.01718]\n", + " PeriodicSite: Li (17.34, 5.473, 8.029) [0.8538, 0.2694, 0.3953]\n", + " PeriodicSite: Li (3.392, 19.64, 2.796) [0.167, 0.9667, 0.1377]\n", + " PeriodicSite: Li (1.583, 0.1291, 12.25) [0.07792, 0.006354, 0.603]\n", + " PeriodicSite: Li (9.425, 7.106, 7.076) [0.464, 0.3498, 0.3484]\n", + " PeriodicSite: Li (13.56, 12.38, 15.56) [0.6674, 0.6094, 0.7662]\n", + " PeriodicSite: Li (14.68, 16.48, 2.363) [0.7226, 0.8111, 0.1163]\n", + " PeriodicSite: Li (11.79, 16.32, 16.76) [0.5806, 0.8035, 0.825]\n", + " PeriodicSite: Li (6.799, 10.29, 7.502) [0.3347, 0.5066, 0.3693]\n", + " PeriodicSite: Li (20.17, 12.08, 12.13) [0.993, 0.5949, 0.5971]\n", + " PeriodicSite: Li (19.19, 17.4, 6.316) [0.9448, 0.8568, 0.3109]\n", + " PeriodicSite: Li (5.144, 18.22, 17.3) [0.2532, 0.8968, 0.8519]\n", + " PeriodicSite: Li (15.59, 10.8, 3.028) [0.7677, 0.5317, 0.1491]\n", + " PeriodicSite: Li (12.99, 6.83, 10.57) [0.6393, 0.3362, 0.5206]\n", + " PeriodicSite: Li (13.03, 15.23, 0.1083) [0.6416, 0.7496, 0.005336]\n", + " PeriodicSite: Li (11.38, 18.34, 10.57) [0.56, 0.903, 0.5205]\n", + " PeriodicSite: Li (5.393, 3.477, 18.48) [0.2655, 0.1712, 0.9098]\n", + " PeriodicSite: Li (3.397, 9.624, 14.65) [0.1672, 0.4738, 0.7211]\n", + " PeriodicSite: Li (7.011, 0.03763, 2.94) [0.3452, 0.00185, 0.1447]\n", + " PeriodicSite: Li (2.353, 15.51, 12.78) [0.1159, 0.7636, 0.629]\n", + " PeriodicSite: Li (12.67, 9.871, 3.853) [0.6237, 0.486, 0.1897]\n", + " PeriodicSite: Li (14.45, 9.25, 13.09) [0.7113, 0.4554, 0.6446]\n", + " PeriodicSite: Li (12.33, 17.95, 4.919) [0.607, 0.8836, 0.2422]\n", + " PeriodicSite: Li (18.22, 4.686, 15.99) [0.8971, 0.2307, 0.7871]\n", + " PeriodicSite: Li (7.137, 3.273, 0.175) [0.3513, 0.1611, 0.008619]\n", + " PeriodicSite: Li (9.682, 3.47, 12.78) [0.4767, 0.1709, 0.6292]\n", + " PeriodicSite: Li (6.999, 12.32, 4.948) [0.3446, 0.6066, 0.2436]\n", + " PeriodicSite: Li (7.112, 12.13, 15.05) [0.3501, 0.5971, 0.741]\n", + " PeriodicSite: Li (18.7, 5.115, 3.309) [0.9205, 0.2518, 0.1629]\n", + " PeriodicSite: Li (13.3, 3.247, 9.991) [0.6549, 0.1599, 0.4919]\n", + " PeriodicSite: Li (19.88, 13.13, 3.451) [0.9786, 0.6463, 0.1699]\n", + " PeriodicSite: Li (17.84, 10.32, 13.66) [0.8781, 0.5082, 0.6726]\n", + " PeriodicSite: Li (7.303, 18.83, 5.631) [0.3595, 0.9272, 0.2772]\n", + " PeriodicSite: Li (7.583, 2.226, 14.91) [0.3733, 0.1096, 0.7339]\n", + " PeriodicSite: Li (4.398, 12.6, 19.68) [0.2165, 0.6204, 0.969]\n", + " PeriodicSite: Li (10.47, 13.51, 13.45) [0.5153, 0.6652, 0.6623]\n", + " PeriodicSite: Li (14.33, 19.46, 2.856) [0.7053, 0.958, 0.1406]\n", + " PeriodicSite: Li (18.98, 2.217, 10.72) [0.9346, 0.1091, 0.5279]\n", + " PeriodicSite: Li (17.33, 13.43, 0.2875) [0.8533, 0.661, 0.01416]\n", + " PeriodicSite: Li (17.51, 15.1, 11.3) [0.8618, 0.7434, 0.5562]\n", + " PeriodicSite: Li (8.806, 3.33, 4.428) [0.4335, 0.164, 0.218]\n", + " PeriodicSite: Li (8.178, 0.4649, 11.47) [0.4026, 0.02288, 0.5648]\n", + " PeriodicSite: Li (9.91, 13.39, 2.675) [0.4879, 0.6592, 0.1317]\n", + " PeriodicSite: Li (5.263, 13.43, 11.56) [0.2591, 0.6609, 0.5692]\n", + " PeriodicSite: Li (20.12, 2.14, 2.006) [0.9906, 0.1053, 0.09875]\n", + " PeriodicSite: Li (0.2088, 8.101, 12.28) [0.01028, 0.3988, 0.6044]\n", + " PeriodicSite: Li (15.23, 13.52, 2.053) [0.7497, 0.6656, 0.1011]\n", + " PeriodicSite: Li (15.47, 12.14, 13.95) [0.7616, 0.5978, 0.6867]\n", + " PeriodicSite: Li (3.454, 0.03862, 6.485) [0.17, 0.0019, 0.3193]\n", + " PeriodicSite: Li (7.158, 19.65, 15.78) [0.3524, 0.9672, 0.7771]\n", + " PeriodicSite: Li (5.262, 12.72, 2.07) [0.2591, 0.6262, 0.1019]\n", + " PeriodicSite: Li (8.74, 7.039, 15.6) [0.4303, 0.3465, 0.7678]\n", + " PeriodicSite: Li (17.15, 3.674, 0.3408) [0.8443, 0.1809, 0.01678]\n", + " PeriodicSite: Li (14.94, 17.48, 11.88) [0.7354, 0.8606, 0.5849]\n", + " PeriodicSite: Li (14.88, 13.11, 19.0) [0.7328, 0.6455, 0.9352]\n", + " PeriodicSite: Li (17.72, 11.0, 10.4) [0.8723, 0.5416, 0.5118]\n", + " PeriodicSite: Li (8.456, 8.098, 20.02) [0.4163, 0.3987, 0.9856]\n", + " PeriodicSite: Li (5.541, 1.183, 13.04) [0.2728, 0.05822, 0.6417]\n", + " PeriodicSite: Li (9.412, 10.44, 2.125) [0.4633, 0.5139, 0.1046]\n", + " PeriodicSite: Li (8.987, 12.1, 10.74) [0.4424, 0.5958, 0.5288]\n", + " PeriodicSite: Li (15.36, 2.462, 1.759) [0.7563, 0.1212, 0.08662]\n", + " PeriodicSite: Li (15.98, 3.505, 11.16) [0.7868, 0.1725, 0.5497]\n", + " PeriodicSite: Li (20.26, 11.9, 19.3) [0.9972, 0.5859, 0.95]\n", + " PeriodicSite: Li (18.31, 13.98, 14.73) [0.9012, 0.6883, 0.7253]\n", + " PeriodicSite: Li (5.065, 3.568, 2.093) [0.2493, 0.1756, 0.103]\n", + " PeriodicSite: Li (6.691, 3.247, 9.978) [0.3294, 0.1599, 0.4912]\n", + " PeriodicSite: Li (6.856, 14.88, 1.747) [0.3375, 0.7326, 0.08601]\n", + " PeriodicSite: Li (4.376, 16.92, 11.47) [0.2155, 0.833, 0.5646]\n", + " PeriodicSite: Li (17.86, 0.572, 0.6625) [0.8794, 0.02815, 0.03262]\n", + " PeriodicSite: Li (2.135, 6.543, 14.71) [0.1051, 0.3221, 0.7242]\n", + " PeriodicSite: Li (4.548, 13.01, 7.785) [0.2239, 0.6404, 0.3833]\n", + " PeriodicSite: Li (15.77, 12.92, 10.98) [0.7762, 0.6362, 0.5405]\n", + " PeriodicSite: Li (17.16, 11.9, 5.074) [0.8449, 0.5856, 0.2498]\n", + " PeriodicSite: Li (5.716, 7.577, 16.02) [0.2814, 0.373, 0.7889]\n", + " PeriodicSite: Li (7.036, 15.3, 12.33) [0.3464, 0.7533, 0.607]\n", + " PeriodicSite: Li (1.425, 18.32, 0.8597) [0.07015, 0.902, 0.04233]\n", + " PeriodicSite: Li (16.9, 10.06, 7.584) [0.8322, 0.4954, 0.3734]\n", + " PeriodicSite: Li (2.538, 4.584, 17.84) [0.125, 0.2257, 0.8781]\n", + " PeriodicSite: Li (15.99, 2.51, 4.236) [0.7873, 0.1235, 0.2085]\n", + " PeriodicSite: Li (19.29, 19.7, 18.36) [0.9496, 0.9698, 0.904]\n", + " PeriodicSite: Li (5.251, 8.49, 6.929) [0.2585, 0.418, 0.3411]\n", + " PeriodicSite: Li (8.376, 5.099, 17.41) [0.4124, 0.251, 0.857]\n", + " PeriodicSite: Li (8.354, 19.98, 8.631) [0.4113, 0.9838, 0.4249]\n", + " PeriodicSite: Li (8.171, 15.78, 16.27) [0.4023, 0.7769, 0.8008]\n", + " PeriodicSite: Li (17.14, 6.525, 10.33) [0.8436, 0.3212, 0.5084]\n", + " PeriodicSite: Li (18.99, 8.201, 19.78) [0.9349, 0.4037, 0.9738]\n", + " PeriodicSite: Li (17.72, 0.329, 6.745) [0.8725, 0.01619, 0.3321]\n", + " PeriodicSite: Li (20.11, 15.95, 17.65) [0.9898, 0.7851, 0.869]\n", + " PeriodicSite: Li (7.172, 6.302, 9.66) [0.3531, 0.3102, 0.4756]\n", + " PeriodicSite: Li (3.174, 1.301, 15.44) [0.1562, 0.06407, 0.7601]\n", + " PeriodicSite: Li (7.412, 15.81, 9.109) [0.3649, 0.7781, 0.4485]\n", + " PeriodicSite: Li (17.38, 10.15, 17.16) [0.8556, 0.4998, 0.8447]\n", + " PeriodicSite: Li (19.75, 8.245, 9.253) [0.9726, 0.4059, 0.4555]\n", + " PeriodicSite: Li (16.67, 5.581, 18.65) [0.8206, 0.2748, 0.9182]\n", + " PeriodicSite: Li (15.61, 17.67, 9.44) [0.7685, 0.8701, 0.4647]\n", + " PeriodicSite: Li (15.52, 16.28, 18.09) [0.7639, 0.8016, 0.8905]\n", + " PeriodicSite: Li (9.405, 8.377, 9.582) [0.463, 0.4124, 0.4717]\n", + " PeriodicSite: Li (6.298, 6.046, 1.44) [0.3101, 0.2976, 0.07092]\n", + " PeriodicSite: Li (5.851, 17.69, 7.975) [0.2881, 0.8707, 0.3926]\n", + " PeriodicSite: Li (8.003, 12.84, 0.3502) [0.394, 0.6324, 0.01724]\n", + " PeriodicSite: Li (15.03, 7.328, 8.178) [0.74, 0.3607, 0.4026]\n", + " PeriodicSite: Li (0.0161, 7.004, 16.79) [0.000794, 0.3448, 0.8267]\n", + " PeriodicSite: Li (15.78, 18.18, 6.351) [0.7768, 0.8949, 0.3127]\n", + " PeriodicSite: Li (16.21, 18.17, 16.13) [0.7978, 0.8945, 0.794]\n", + " PeriodicSite: Li (6.8, 4.717, 12.02) [0.3348, 0.2322, 0.5917]\n", + " PeriodicSite: Li (5.665, 6.565, 18.73) [0.2789, 0.3232, 0.922]\n", + " PeriodicSite: Li (10.45, 17.33, 7.594) [0.5143, 0.8534, 0.3739]\n", + " PeriodicSite: Li (12.23, 18.37, 0.2283) [0.6021, 0.9042, 0.01125]\n", + " PeriodicSite: Li (16.41, 8.292, 5.22) [0.8079, 0.4082, 0.257]\n", + " PeriodicSite: Li (16.05, 6.566, 1.427) [0.7903, 0.3232, 0.07028]\n", + " PeriodicSite: Li (18.45, 18.87, 9.712) [0.9083, 0.9291, 0.4782]\n", + " PeriodicSite: Li (17.38, 0.2172, 3.694) [0.8558, 0.01069, 0.1819]\n", + " PeriodicSite: Li (6.504, 10.21, 3.41) [0.3202, 0.5029, 0.1679]\n", + " PeriodicSite: Li (9.831, 8.229, 17.93) [0.484, 0.4051, 0.8828]\n", + " PeriodicSite: Li (8.161, 15.79, 6.307) [0.4018, 0.7774, 0.3105]\n", + " PeriodicSite: Li (4.431, 0.6427, 17.44) [0.2182, 0.03164, 0.8584]\n", + " PeriodicSite: Li (18.9, 7.551, 5.863) [0.9306, 0.3717, 0.2886]\n", + " PeriodicSite: Li (18.52, 10.57, 1.98) [0.9115, 0.5205, 0.09746]\n", + " PeriodicSite: Li (3.126, 15.78, 1.028) [0.1539, 0.7768, 0.05061]\n", + " PeriodicSite: Li (14.38, 1.81, 13.87) [0.708, 0.0891, 0.6829]\n", + " PeriodicSite: Cl (7.84, 13.14, 13.0) [0.386, 0.6469, 0.64]\n", + " PeriodicSite: Cl (2.913, 12.34, 17.46) [0.1434, 0.6073, 0.8595]\n", + " PeriodicSite: Cl (12.83, 17.64, 12.28) [0.6318, 0.8683, 0.6044]\n", + " PeriodicSite: Cl (17.71, 7.826, 18.1) [0.8718, 0.3853, 0.8913]\n", + " PeriodicSite: Cl (7.27, 2.64, 2.418) [0.3579, 0.13, 0.1191]\n", + " PeriodicSite: Cl (7.654, 7.926, 8.152) [0.3768, 0.3902, 0.4014]\n", + " PeriodicSite: Cl (12.6, 12.89, 7.63) [0.6201, 0.6347, 0.3756]\n", + " PeriodicSite: Cl (2.823, 7.542, 2.515) [0.139, 0.3713, 0.1238]\n", + " PeriodicSite: Cl (2.348, 7.688, 12.69) [0.1156, 0.3785, 0.6248]\n", + " PeriodicSite: Cl (12.91, 12.21, 18.07) [0.6357, 0.6009, 0.8897]\n", + " PeriodicSite: Cl (17.61, 17.48, 17.9) [0.867, 0.8607, 0.8811]\n", + " PeriodicSite: Cl (2.174, 2.716, 7.449) [0.107, 0.1337, 0.3667]\n", + " PeriodicSite: Cl (12.42, 1.98, 17.85) [0.6114, 0.09749, 0.8788]\n", + " PeriodicSite: Cl (12.28, 7.844, 2.328) [0.6043, 0.3861, 0.1146]\n", + " PeriodicSite: Cl (17.86, 2.585, 12.68) [0.8791, 0.1273, 0.624]\n", + " PeriodicSite: Cl (7.187, 17.43, 17.93) [0.3538, 0.8582, 0.8827]\n", + " PeriodicSite: Cl (0.1267, 0.1445, 0.08125) [0.006238, 0.007112, 0.004]\n", + " PeriodicSite: Cl (0.08026, 0.02557, 10.13) [0.003954, 0.00126, 0.4986]\n", + " PeriodicSite: Cl (20.28, 9.881, 20.14) [0.9985, 0.4864, 0.9915]\n", + " PeriodicSite: Cl (20.09, 10.51, 9.906) [0.9892, 0.5175, 0.4877]\n", + " PeriodicSite: Cl (10.12, 19.82, 0.3968) [0.4983, 0.9758, 0.01954]\n", + " PeriodicSite: Cl (10.19, 0.09324, 9.969) [0.5016, 0.004586, 0.4908]\n", + " PeriodicSite: Cl (10.14, 10.17, 0.086) [0.4994, 0.5009, 0.004237]\n", + " PeriodicSite: Cl (10.48, 10.49, 10.1) [0.5159, 0.5163, 0.4974]\n", + " PeriodicSite: Cl (20.26, 5.756, 5.012) [0.9972, 0.2833, 0.2468]\n", + " PeriodicSite: Cl (0.1926, 4.906, 15.49) [0.009485, 0.2415, 0.7627]\n", + " PeriodicSite: Cl (20.16, 15.3, 5.105) [0.9924, 0.7534, 0.2513]\n", + " PeriodicSite: Cl (19.93, 15.38, 15.37) [0.981, 0.7573, 0.7565]\n", + " PeriodicSite: Cl (10.15, 5.162, 5.468) [0.4999, 0.2541, 0.2692]\n", + " PeriodicSite: Cl (10.25, 5.099, 15.06) [0.5045, 0.251, 0.7413]\n", + " PeriodicSite: Cl (10.05, 15.07, 4.761) [0.4946, 0.7419, 0.2344]\n", + " PeriodicSite: Cl (10.28, 15.68, 15.12) [0.5062, 0.7722, 0.7445]\n", + " PeriodicSite: S (5.106, 19.91, 4.647) [0.2514, 0.9802, 0.2288]\n", + " PeriodicSite: S (4.899, 19.91, 15.36) [0.2412, 0.9799, 0.7562]\n", + " PeriodicSite: S (5.049, 10.25, 5.471) [0.2486, 0.5047, 0.2693]\n", + " PeriodicSite: S (5.688, 10.04, 15.51) [0.28, 0.4944, 0.7637]\n", + " PeriodicSite: S (15.41, 0.4222, 5.155) [0.7586, 0.02078, 0.2538]\n", + " PeriodicSite: S (15.22, 0.06705, 15.38) [0.7494, 0.003295, 0.7572]\n", + " PeriodicSite: S (15.01, 10.54, 5.177) [0.7388, 0.5189, 0.2549]\n", + " PeriodicSite: S (15.63, 10.05, 15.21) [0.7695, 0.4949, 0.7486]\n", + " PeriodicSite: S (4.888, 4.842, 0.1214) [0.2406, 0.2384, 0.005978]\n", + " PeriodicSite: S (5.047, 5.304, 10.13) [0.2485, 0.2611, 0.499]\n", + " PeriodicSite: S (5.203, 14.61, 20.15) [0.2561, 0.7194, 0.9922]\n", + " PeriodicSite: S (5.218, 15.33, 10.18) [0.2569, 0.7548, 0.5014]\n", + " PeriodicSite: S (15.16, 4.955, 0.1552) [0.7461, 0.2439, 0.007645]\n", + " PeriodicSite: S (15.02, 5.475, 10.13) [0.7396, 0.2695, 0.4989]\n", + " PeriodicSite: S (15.44, 15.12, 0.07195) [0.7601, 0.7446, 0.003547]\n", + " PeriodicSite: S (15.47, 15.41, 10.22) [0.7614, 0.7589, 0.5029]\n", + " PeriodicSite: S (8.697, 4.211, 8.942) [0.4282, 0.2073, 0.4402]\n", + " PeriodicSite: S (9.044, 3.585, 18.95) [0.4452, 0.1765, 0.9329]\n", + " PeriodicSite: S (9.272, 14.15, 8.783) [0.4565, 0.6967, 0.4324]\n", + " PeriodicSite: S (8.943, 14.08, 18.49) [0.4403, 0.6932, 0.9103]\n", + " PeriodicSite: S (18.87, 4.081, 9.282) [0.9289, 0.2009, 0.457]\n", + " PeriodicSite: S (18.78, 3.955, 19.0) [0.9247, 0.1947, 0.9356]\n", + " PeriodicSite: S (18.7, 14.13, 9.308) [0.9207, 0.6957, 0.4583]\n", + " PeriodicSite: S (19.37, 14.11, 19.08) [0.9534, 0.6944, 0.9391]\n", + " PeriodicSite: S (4.104, 1.443, 1.399) [0.2021, 0.07104, 0.06888]\n", + " PeriodicSite: S (3.532, 1.314, 11.37) [0.1739, 0.0647, 0.5598]\n", + " PeriodicSite: S (3.937, 10.78, 1.366) [0.1938, 0.5309, 0.06725]\n", + " PeriodicSite: S (3.815, 11.21, 11.32) [0.1878, 0.5518, 0.5572]\n", + " PeriodicSite: S (13.86, 0.9346, 0.6877) [0.6822, 0.04601, 0.03386]\n", + " PeriodicSite: S (14.05, 1.556, 11.34) [0.6917, 0.07661, 0.5585]\n", + " PeriodicSite: S (14.21, 11.03, 1.219) [0.6995, 0.5429, 0.06001]\n", + " PeriodicSite: S (13.98, 11.37, 11.56) [0.6884, 0.5596, 0.5693]\n", + " PeriodicSite: S (6.104, 1.081, 8.946) [0.3005, 0.05324, 0.4404]\n", + " PeriodicSite: S (6.203, 0.8483, 19.02) [0.3054, 0.04176, 0.9366]\n", + " PeriodicSite: S (6.338, 11.54, 9.219) [0.312, 0.5682, 0.4538]\n", + " PeriodicSite: S (6.297, 10.96, 19.2) [0.31, 0.5397, 0.9452]\n", + " PeriodicSite: S (16.54, 1.288, 9.007) [0.8145, 0.06339, 0.4434]\n", + " PeriodicSite: S (16.53, 0.4814, 18.81) [0.8138, 0.02369, 0.926]\n", + " PeriodicSite: S (15.9, 11.47, 8.9) [0.7829, 0.5645, 0.4382]\n", + " PeriodicSite: S (16.51, 11.43, 19.14) [0.8126, 0.5627, 0.9423]\n", + " PeriodicSite: S (0.9282, 3.855, 1.083) [0.04569, 0.1898, 0.05331]\n", + " PeriodicSite: S (0.8923, 3.723, 11.47) [0.04393, 0.1833, 0.5646]\n", + " PeriodicSite: S (1.294, 13.97, 1.414) [0.06371, 0.6879, 0.06961]\n", + " PeriodicSite: S (1.085, 14.02, 11.4) [0.05342, 0.6904, 0.5612]\n", + " PeriodicSite: S (11.42, 3.669, 0.9979) [0.5623, 0.1806, 0.04913]\n", + " PeriodicSite: S (11.33, 4.225, 11.24) [0.5576, 0.208, 0.5531]\n", + " PeriodicSite: S (11.05, 13.61, 0.5766) [0.5442, 0.6698, 0.02839]\n", + " PeriodicSite: S (11.21, 13.7, 11.32) [0.552, 0.6744, 0.5573]\n", + " PeriodicSite: S (2.566, 2.281, 18.0) [0.1263, 0.1123, 0.8862]\n", + " PeriodicSite: S (2.298, 12.58, 7.816) [0.1132, 0.6193, 0.3848]\n", + " PeriodicSite: S (12.92, 2.832, 7.569) [0.636, 0.1394, 0.3726]\n", + " PeriodicSite: S (8.848, 9.029, 3.877) [0.4356, 0.4445, 0.1909]\n", + " PeriodicSite: S (9.106, 8.909, 14.25) [0.4483, 0.4386, 0.7015]\n", + " PeriodicSite: S (9.105, 19.16, 4.166) [0.4482, 0.9431, 0.2051]\n", + " PeriodicSite: S (8.547, 19.37, 13.9) [0.4208, 0.9537, 0.6841]\n", + " PeriodicSite: S (18.76, 9.214, 4.112) [0.9234, 0.4536, 0.2025]\n", + " PeriodicSite: S (19.54, 8.67, 14.31) [0.9619, 0.4268, 0.7047]\n", + " PeriodicSite: S (19.47, 18.84, 4.052) [0.9586, 0.9275, 0.1995]\n", + " PeriodicSite: S (18.98, 19.69, 14.15) [0.9344, 0.9691, 0.6965]\n", + " PeriodicSite: S (4.263, 6.557, 6.16) [0.2099, 0.3228, 0.3033]\n", + " PeriodicSite: S (3.988, 6.129, 16.51) [0.1963, 0.3018, 0.8129]\n", + " PeriodicSite: S (3.912, 16.31, 6.148) [0.1926, 0.8027, 0.3026]\n", + " PeriodicSite: S (3.687, 16.33, 16.18) [0.1815, 0.8042, 0.7968]\n", + " PeriodicSite: S (14.06, 6.499, 6.067) [0.6922, 0.3199, 0.2987]\n", + " PeriodicSite: S (14.22, 6.352, 16.86) [0.7002, 0.3127, 0.8299]\n", + " PeriodicSite: S (13.9, 16.78, 6.455) [0.6844, 0.8259, 0.3178]\n", + " PeriodicSite: S (14.17, 16.76, 16.13) [0.6978, 0.8252, 0.7941]\n", + " PeriodicSite: S (6.431, 6.183, 3.888) [0.3166, 0.3044, 0.1914]\n", + " PeriodicSite: S (6.537, 6.031, 14.09) [0.3218, 0.2969, 0.6934]\n", + " PeriodicSite: S (6.378, 16.19, 3.893) [0.314, 0.7973, 0.1917]\n", + " PeriodicSite: S (6.366, 16.79, 14.14) [0.3134, 0.8266, 0.6963]\n", + " PeriodicSite: S (16.54, 6.398, 3.822) [0.814, 0.315, 0.1882]\n", + " PeriodicSite: S (16.58, 6.138, 14.36) [0.8163, 0.3022, 0.7069]\n", + " PeriodicSite: S (16.33, 16.76, 4.154) [0.8037, 0.8251, 0.2045]\n", + " PeriodicSite: S (16.29, 16.71, 13.8) [0.8022, 0.8225, 0.6796]\n", + " PeriodicSite: S (0.8727, 8.826, 6.377) [0.04296, 0.4345, 0.3139]\n", + " PeriodicSite: S (1.828, 8.649, 16.41) [0.09, 0.4258, 0.8081]\n", + " PeriodicSite: S (1.46, 19.22, 6.32) [0.07188, 0.9461, 0.3111]\n", + " PeriodicSite: S (0.8383, 19.21, 16.55) [0.04127, 0.9456, 0.8147]\n", + " PeriodicSite: S (11.1, 8.894, 6.172) [0.5464, 0.4379, 0.3039]\n", + " PeriodicSite: S (11.59, 8.89, 16.48) [0.5706, 0.4377, 0.8115]\n", + " PeriodicSite: S (11.49, 19.92, 6.48) [0.5658, 0.9809, 0.319]\n", + " PeriodicSite: S (11.36, 19.16, 15.62) [0.5591, 0.9431, 0.7689]\n", + " PeriodicSite: S (2.617, 17.52, 2.672) [0.1288, 0.8626, 0.1315]\n", + " PeriodicSite: S (2.563, 17.83, 12.7) [0.1262, 0.8779, 0.625]\n", + " PeriodicSite: S (12.87, 7.404, 12.77) [0.6335, 0.3645, 0.6286]\n", + " PeriodicSite: S (12.71, 17.9, 2.607) [0.6255, 0.881, 0.1283]\n", + " PeriodicSite: S (3.404, 4.278, 3.686) [0.1676, 0.2106, 0.1815]\n", + " PeriodicSite: S (4.159, 3.742, 14.09) [0.2048, 0.1842, 0.6939]\n", + " PeriodicSite: S (4.08, 13.63, 3.881) [0.2009, 0.6711, 0.1911]\n", + " PeriodicSite: S (4.196, 13.94, 13.83) [0.2066, 0.6862, 0.6811]\n", + " PeriodicSite: S (14.11, 3.983, 3.715) [0.6947, 0.1961, 0.1829]\n", + " PeriodicSite: S (13.79, 4.266, 14.14) [0.679, 0.21, 0.6959]\n", + " PeriodicSite: S (14.01, 14.45, 3.842) [0.6897, 0.7115, 0.1892]\n", + " PeriodicSite: S (13.83, 14.23, 13.77) [0.6808, 0.7003, 0.6781]\n", + " PeriodicSite: S (8.64, 1.301, 6.55) [0.4253, 0.06405, 0.3224]\n", + " PeriodicSite: S (8.758, 0.9583, 16.61) [0.4312, 0.04718, 0.8177]\n", + " PeriodicSite: S (8.846, 11.31, 6.456) [0.4355, 0.5567, 0.3178]\n", + " PeriodicSite: S (9.09, 11.16, 16.8) [0.4475, 0.5493, 0.8273]\n", + " PeriodicSite: S (19.35, 1.434, 5.504) [0.9527, 0.07061, 0.271]\n", + " PeriodicSite: S (18.93, 1.378, 16.82) [0.932, 0.06786, 0.8278]\n", + " PeriodicSite: S (19.02, 11.43, 6.571) [0.9362, 0.5625, 0.3235]\n", + " PeriodicSite: S (19.74, 11.23, 16.65) [0.9716, 0.5527, 0.8196]\n", + " PeriodicSite: S (1.468, 0.9738, 3.608) [0.07229, 0.04794, 0.1776]\n", + " PeriodicSite: S (0.998, 1.641, 14.4) [0.04914, 0.08077, 0.709]\n", + " PeriodicSite: S (0.8589, 11.31, 3.95) [0.04228, 0.5568, 0.1944]\n", + " PeriodicSite: S (1.463, 11.17, 13.9) [0.07202, 0.5501, 0.6844]\n", + " PeriodicSite: S (10.73, 1.645, 3.968) [0.5285, 0.081, 0.1953]\n", + " PeriodicSite: S (10.73, 1.645, 14.0) [0.528, 0.08097, 0.6892]\n", + " PeriodicSite: S (11.09, 11.66, 4.071) [0.5461, 0.5738, 0.2004]\n", + " PeriodicSite: S (11.28, 11.56, 14.57) [0.5551, 0.5693, 0.7172]\n", + " PeriodicSite: S (5.843, 3.585, 5.982) [0.2877, 0.1765, 0.2945]\n", + " PeriodicSite: S (6.325, 3.668, 16.55) [0.3114, 0.1806, 0.8148]\n", + " PeriodicSite: S (6.467, 14.11, 6.329) [0.3184, 0.6948, 0.3116]\n", + " PeriodicSite: S (6.339, 14.16, 16.18) [0.3121, 0.6971, 0.7965]\n", + " PeriodicSite: S (16.48, 4.099, 6.23) [0.8114, 0.2018, 0.3067]\n", + " PeriodicSite: S (16.22, 3.825, 16.76) [0.7984, 0.1883, 0.8253]\n", + " PeriodicSite: S (16.01, 14.19, 6.28) [0.7883, 0.6984, 0.3092]\n", + " PeriodicSite: S (16.07, 13.98, 15.88) [0.791, 0.6884, 0.7819]\n", + " PeriodicSite: S (7.411, 2.522, 12.22) [0.3649, 0.1242, 0.6014]\n", + " PeriodicSite: S (7.698, 12.48, 2.548) [0.379, 0.6142, 0.1254]\n", + " PeriodicSite: S (17.52, 2.341, 2.395) [0.8627, 0.1152, 0.1179]\n", + " PeriodicSite: S (17.51, 12.7, 2.585) [0.8622, 0.6252, 0.1273]\n", + " PeriodicSite: S (17.58, 12.37, 12.42) [0.8655, 0.6091, 0.6114]\n", + " PeriodicSite: S (3.946, 9.111, 8.875) [0.1942, 0.4485, 0.4369]\n", + " PeriodicSite: S (4.298, 8.532, 19.27) [0.2116, 0.4201, 0.9485]\n", + " PeriodicSite: S (3.426, 19.29, 9.147) [0.1687, 0.9497, 0.4503]\n", + " PeriodicSite: S (3.605, 19.33, 19.4) [0.1775, 0.9517, 0.9553]\n", + " PeriodicSite: S (13.47, 8.885, 9.228) [0.6634, 0.4374, 0.4543]\n", + " PeriodicSite: S (14.52, 8.669, 19.13) [0.7149, 0.4268, 0.942]\n", + " PeriodicSite: S (13.92, 19.42, 9.136) [0.6853, 0.956, 0.4498]\n", + " PeriodicSite: S (14.04, 18.73, 18.85) [0.6911, 0.9218, 0.9282]\n", + " PeriodicSite: S (9.015, 6.118, 1.175) [0.4438, 0.3012, 0.05783]\n", + " PeriodicSite: S (9.008, 6.578, 11.1) [0.4435, 0.3238, 0.5465]\n", + " PeriodicSite: S (8.938, 16.1, 1.093) [0.44, 0.7924, 0.05382]\n", + " PeriodicSite: S (9.231, 16.44, 11.25) [0.4544, 0.8094, 0.554]\n", + " PeriodicSite: S (18.93, 6.327, 1.042) [0.9318, 0.3115, 0.05133]\n", + " PeriodicSite: S (19.06, 6.394, 11.72) [0.9384, 0.3148, 0.5769]\n", + " PeriodicSite: S (19.33, 16.35, 1.309) [0.9515, 0.8051, 0.06447]\n", + " PeriodicSite: S (19.15, 16.7, 11.1) [0.9427, 0.8219, 0.5466]\n", + " PeriodicSite: S (0.8913, 6.23, 9.022) [0.04388, 0.3067, 0.4442]\n", + " PeriodicSite: S (0.9207, 6.196, 18.89) [0.04533, 0.305, 0.9298]\n", + " PeriodicSite: S (1.177, 16.04, 8.579) [0.05795, 0.7898, 0.4224]\n", + " PeriodicSite: S (1.416, 16.37, 19.39) [0.0697, 0.806, 0.9544]\n", + " PeriodicSite: S (11.3, 6.324, 8.775) [0.5564, 0.3113, 0.432]\n", + " PeriodicSite: S (11.33, 6.025, 19.02) [0.5577, 0.2966, 0.9366]\n", + " PeriodicSite: S (11.79, 16.25, 9.314) [0.5807, 0.7998, 0.4585]\n", + " PeriodicSite: S (11.4, 16.43, 19.26) [0.5611, 0.8089, 0.9482]\n", + " PeriodicSite: S (6.53, 8.624, 1.331) [0.3215, 0.4246, 0.06553]\n", + " PeriodicSite: S (5.922, 8.736, 11.26) [0.2915, 0.4301, 0.5545]\n", + " PeriodicSite: S (6.122, 18.86, 1.222) [0.3014, 0.9284, 0.06018]\n", + " PeriodicSite: S (6.103, 19.44, 11.68) [0.3004, 0.9571, 0.5751]\n", + " PeriodicSite: S (17.03, 9.014, 1.223) [0.8382, 0.4437, 0.06021]\n", + " PeriodicSite: S (16.25, 8.982, 11.19) [0.8002, 0.4422, 0.551]\n", + " PeriodicSite: S (16.17, 18.98, 1.131) [0.7961, 0.9346, 0.05568]\n", + " PeriodicSite: S (16.3, 19.35, 11.5) [0.8025, 0.9527, 0.5662]\n", + " PeriodicSite: S (7.734, 7.367, 17.71) [0.3808, 0.3627, 0.8717]\n", + " PeriodicSite: S (8.187, 17.78, 7.784) [0.403, 0.8751, 0.3832]\n", + " PeriodicSite: S (17.41, 7.776, 7.677) [0.8572, 0.3828, 0.3779]\n", + " PeriodicSite: S (17.63, 18.23, 7.769) [0.868, 0.8973, 0.3825]\n", + " PeriodicSite: P (4.981, 20.28, 0.1526) [0.2452, 0.9983, 0.007514]\n", + " PeriodicSite: P (4.875, 0.06865, 10.3) [0.24, 0.003378, 0.5071]\n", + " PeriodicSite: P (5.316, 9.746, 0.1469) [0.2617, 0.4798, 0.007234]\n", + " PeriodicSite: P (5.048, 10.2, 10.16) [0.2485, 0.5022, 0.5003]\n", + " PeriodicSite: P (15.09, 19.96, 20.05) [0.7429, 0.9828, 0.987]\n", + " PeriodicSite: P (15.27, 0.2476, 10.18) [0.7517, 0.01218, 0.5011]\n", + " PeriodicSite: P (15.66, 9.949, 0.002644) [0.7711, 0.4898, 0.0001353]\n", + " PeriodicSite: P (14.85, 10.14, 10.08) [0.7312, 0.4994, 0.4963]\n", + " PeriodicSite: P (4.957, 5.163, 4.833) [0.2441, 0.2542, 0.238]\n", + " PeriodicSite: P (5.375, 4.9, 15.19) [0.2646, 0.2412, 0.748]\n", + " PeriodicSite: P (5.126, 14.96, 4.936) [0.2524, 0.7365, 0.243]\n", + " PeriodicSite: P (5.182, 15.35, 15.06) [0.2551, 0.7557, 0.7415]\n", + " PeriodicSite: P (15.25, 5.16, 4.954) [0.7509, 0.254, 0.2439]\n", + " PeriodicSite: P (15.12, 5.043, 15.46) [0.7445, 0.2483, 0.7611]\n", + " PeriodicSite: P (15.08, 15.61, 5.127) [0.7426, 0.7687, 0.2524]\n", + " PeriodicSite: P (15.1, 15.42, 14.87) [0.7435, 0.759, 0.7319]\n", + " PeriodicSite: P (0.2913, 20.24, 5.04) [0.01433, 0.9964, 0.2481]\n", + " PeriodicSite: P (20.12, 0.3418, 15.42) [0.9907, 0.01682, 0.7593]\n", + " PeriodicSite: P (20.16, 10.14, 5.239) [0.9924, 0.4994, 0.2579]\n", + " PeriodicSite: P (0.5495, 9.897, 15.39) [0.02705, 0.4872, 0.7577]\n", + " PeriodicSite: P (9.946, 0.2506, 5.375) [0.4896, 0.01234, 0.2646]\n", + " PeriodicSite: P (9.8, 0.09398, 15.06) [0.4825, 0.004624, 0.7412]\n", + " PeriodicSite: P (9.908, 10.18, 5.156) [0.4878, 0.5011, 0.2538]\n", + " PeriodicSite: P (10.24, 10.1, 15.52) [0.5041, 0.4971, 0.7642]\n", + " PeriodicSite: P (20.09, 5.123, 20.17) [0.9891, 0.2522, 0.993]\n", + " PeriodicSite: P (20.18, 5.228, 10.42) [0.9937, 0.2574, 0.5128]\n", + " PeriodicSite: P (0.1363, 15.1, 0.2531) [0.006704, 0.7432, 0.01246]\n", + " PeriodicSite: P (20.29, 15.16, 10.07) [0.9989, 0.7461, 0.496]\n", + " PeriodicSite: P (10.15, 4.821, 20.2) [0.4996, 0.2373, 0.9946]\n", + " PeriodicSite: P (10.05, 5.272, 9.926) [0.4949, 0.2596, 0.4887]\n", + " PeriodicSite: P (10.01, 15.06, 19.99) [0.493, 0.7413, 0.9842]\n", + " PeriodicSite: P (10.27, 15.11, 10.15) [0.5054, 0.7441, 0.4997],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.941, 6.666, 4.966) [0.09553, 0.3282, 0.2445]\n", + " PeriodicSite: Li (20.27, 3.949, 13.18) [0.998, 0.1944, 0.6489]\n", + " PeriodicSite: Li (0.4112, 12.57, 7.967) [0.02024, 0.619, 0.3922]\n", + " PeriodicSite: Li (0.3819, 13.13, 15.32) [0.0188, 0.6465, 0.7544]\n", + " PeriodicSite: Li (14.45, 1.397, 7.328) [0.7114, 0.06879, 0.3608]\n", + " PeriodicSite: Li (11.87, 3.543, 15.48) [0.5844, 0.1744, 0.762]\n", + " PeriodicSite: Li (14.5, 12.73, 5.687) [0.7138, 0.6266, 0.28]\n", + " PeriodicSite: Li (15.86, 8.024, 15.81) [0.7808, 0.395, 0.7781]\n", + " PeriodicSite: Li (4.343, 4.803, 8.278) [0.2138, 0.2365, 0.4075]\n", + " PeriodicSite: Li (3.064, 2.473, 19.96) [0.1508, 0.1218, 0.9827]\n", + " PeriodicSite: Li (5.038, 7.686, 4.017) [0.248, 0.3784, 0.1978]\n", + " PeriodicSite: Li (7.122, 9.641, 17.44) [0.3506, 0.4746, 0.8584]\n", + " PeriodicSite: Li (12.38, 4.666, 5.826) [0.6096, 0.2297, 0.2868]\n", + " PeriodicSite: Li (13.3, 19.91, 17.17) [0.6546, 0.9804, 0.8452]\n", + " PeriodicSite: Li (11.61, 10.09, 11.57) [0.5715, 0.4967, 0.5698]\n", + " PeriodicSite: Li (8.064, 18.71, 20.02) [0.397, 0.9211, 0.9858]\n", + " PeriodicSite: Li (6.325, 0.9971, 6.483) [0.3114, 0.04909, 0.3192]\n", + " PeriodicSite: Li (4.715, 18.19, 13.27) [0.2321, 0.8957, 0.6533]\n", + " PeriodicSite: Li (4.149, 11.64, 3.991) [0.2042, 0.5728, 0.1965]\n", + " PeriodicSite: Li (6.654, 9.647, 13.52) [0.3276, 0.4749, 0.6655]\n", + " PeriodicSite: Li (11.33, 0.5992, 7.988) [0.5577, 0.0295, 0.3932]\n", + " PeriodicSite: Li (10.55, 0.9217, 18.26) [0.5194, 0.04537, 0.8987]\n", + " PeriodicSite: Li (13.95, 15.27, 8.377) [0.6866, 0.7515, 0.4124]\n", + " PeriodicSite: Li (12.42, 9.182, 0.8108) [0.6115, 0.452, 0.03992]\n", + " PeriodicSite: Li (0.6723, 4.681, 7.809) [0.0331, 0.2305, 0.3845]\n", + " PeriodicSite: Li (0.2809, 2.748, 17.89) [0.01383, 0.1353, 0.8808]\n", + " PeriodicSite: Li (2.158, 14.34, 5.942) [0.1062, 0.7059, 0.2925]\n", + " PeriodicSite: Li (2.987, 14.83, 18.24) [0.1471, 0.7303, 0.8982]\n", + " PeriodicSite: Li (12.99, 0.9086, 5.131) [0.6394, 0.04472, 0.2526]\n", + " PeriodicSite: Li (14.93, 1.895, 17.06) [0.7351, 0.0933, 0.8398]\n", + " PeriodicSite: Li (11.58, 12.18, 9.53) [0.5699, 0.5995, 0.4692]\n", + " PeriodicSite: Li (17.19, 16.79, 0.001679) [0.8463, 0.8265, 8.87e-05]\n", + " PeriodicSite: Li (3.774, 1.826, 4.993) [0.1858, 0.08991, 0.2458]\n", + " PeriodicSite: Li (0.5254, 16.79, 3.002) [0.02586, 0.8264, 0.1478]\n", + " PeriodicSite: Li (3.064, 14.54, 9.179) [0.1509, 0.716, 0.4519]\n", + " PeriodicSite: Li (0.1107, 17.68, 14.21) [0.005447, 0.8702, 0.6996]\n", + " PeriodicSite: Li (14.62, 4.373, 8.136) [0.7198, 0.2153, 0.4005]\n", + " PeriodicSite: Li (14.07, 6.361, 18.74) [0.6925, 0.3131, 0.9227]\n", + " PeriodicSite: Li (17.29, 15.55, 8.216) [0.8514, 0.7653, 0.4045]\n", + " PeriodicSite: Li (10.42, 12.02, 18.7) [0.5128, 0.5918, 0.9204]\n", + " PeriodicSite: Li (1.061, 2.812, 5.062) [0.05225, 0.1385, 0.2492]\n", + " PeriodicSite: Li (1.711, 0.3313, 18.32) [0.08425, 0.01631, 0.9017]\n", + " PeriodicSite: Li (2.797, 10.2, 6.386) [0.1377, 0.5022, 0.3144]\n", + " PeriodicSite: Li (18.25, 15.27, 3.27) [0.8986, 0.7519, 0.161]\n", + " PeriodicSite: Li (10.14, 3.291, 7.238) [0.4994, 0.162, 0.3563]\n", + " PeriodicSite: Li (17.02, 1.268, 14.68) [0.838, 0.06241, 0.7228]\n", + " PeriodicSite: Li (13.26, 10.48, 7.156) [0.6529, 0.5162, 0.3523]\n", + " PeriodicSite: Li (13.65, 10.16, 16.88) [0.6719, 0.5004, 0.8309]\n", + " PeriodicSite: Li (3.836, 12.17, 15.1) [0.1889, 0.5991, 0.7433]\n", + " PeriodicSite: Li (2.184, 11.17, 9.292) [0.1075, 0.5498, 0.4575]\n", + " PeriodicSite: Li (2.989, 18.23, 4.835) [0.1471, 0.8973, 0.238]\n", + " PeriodicSite: Li (1.7, 1.576, 9.257) [0.0837, 0.07759, 0.4557]\n", + " PeriodicSite: Li (13.4, 5.662, 1.765) [0.6596, 0.2787, 0.08687]\n", + " PeriodicSite: Li (12.54, 7.591, 14.7) [0.6172, 0.3737, 0.7239]\n", + " PeriodicSite: Li (11.09, 12.98, 5.826) [0.5461, 0.6392, 0.2868]\n", + " PeriodicSite: Li (13.44, 18.42, 14.89) [0.6618, 0.9068, 0.7331]\n", + " PeriodicSite: Li (3.289, 5.213, 1.137) [0.1619, 0.2566, 0.05597]\n", + " PeriodicSite: Li (3.375, 4.244, 11.38) [0.1662, 0.2089, 0.5602]\n", + " PeriodicSite: Li (6.341, 15.81, 18.91) [0.3122, 0.7783, 0.9308]\n", + " PeriodicSite: Li (2.78, 18.71, 15.11) [0.1369, 0.9212, 0.7437]\n", + " PeriodicSite: Li (13.11, 3.26, 19.6) [0.6456, 0.1605, 0.9647]\n", + " PeriodicSite: Li (10.92, 6.479, 12.64) [0.5374, 0.319, 0.6222]\n", + " PeriodicSite: Li (10.93, 16.31, 3.114) [0.5382, 0.803, 0.1533]\n", + " PeriodicSite: Li (10.54, 17.02, 13.37) [0.519, 0.8378, 0.6582]\n", + " PeriodicSite: Li (3.951, 10.05, 17.31) [0.1945, 0.4945, 0.852]\n", + " PeriodicSite: Li (4.186, 7.091, 10.21) [0.2061, 0.3491, 0.5027]\n", + " PeriodicSite: Li (5.202, 17.95, 2.377) [0.2561, 0.8839, 0.117]\n", + " PeriodicSite: Li (1.254, 18.01, 10.33) [0.06175, 0.8869, 0.5084]\n", + " PeriodicSite: Li (10.12, 6.948, 3.05) [0.4984, 0.342, 0.1502]\n", + " PeriodicSite: Li (14.78, 6.858, 12.28) [0.7276, 0.3376, 0.6044]\n", + " PeriodicSite: Li (10.82, 19.68, 2.33) [0.5326, 0.969, 0.1147]\n", + " PeriodicSite: Li (13.33, 15.33, 11.58) [0.6562, 0.7548, 0.5703]\n", + " PeriodicSite: Li (2.249, 8.833, 0.826) [0.1107, 0.4348, 0.04067]\n", + " PeriodicSite: Li (18.04, 5.287, 6.859) [0.8881, 0.2603, 0.3377]\n", + " PeriodicSite: Li (2.979, 20.06, 2.542) [0.1467, 0.9877, 0.1251]\n", + " PeriodicSite: Li (1.756, 20.26, 12.09) [0.08645, 0.9973, 0.5952]\n", + " PeriodicSite: Li (9.944, 7.25, 6.704) [0.4895, 0.3569, 0.3301]\n", + " PeriodicSite: Li (12.9, 12.71, 15.33) [0.6353, 0.6259, 0.7548]\n", + " PeriodicSite: Li (14.63, 16.89, 1.781) [0.7201, 0.8317, 0.08769]\n", + " PeriodicSite: Li (11.45, 16.53, 16.57) [0.5639, 0.8139, 0.8156]\n", + " PeriodicSite: Li (7.28, 10.02, 6.745) [0.3584, 0.4933, 0.332]\n", + " PeriodicSite: Li (0.1289, 12.19, 12.06) [0.006343, 0.5999, 0.5938]\n", + " PeriodicSite: Li (19.62, 17.99, 6.694) [0.966, 0.8856, 0.3296]\n", + " PeriodicSite: Li (4.855, 18.56, 17.12) [0.239, 0.9138, 0.8429]\n", + " PeriodicSite: Li (16.36, 10.58, 3.229) [0.8052, 0.5208, 0.159]\n", + " PeriodicSite: Li (13.05, 7.189, 10.03) [0.6427, 0.3539, 0.4939]\n", + " PeriodicSite: Li (12.9, 15.01, 20.31) [0.6353, 0.739, 0.9999]\n", + " PeriodicSite: Li (12.31, 18.88, 10.83) [0.6062, 0.9294, 0.5332]\n", + " PeriodicSite: Li (5.353, 3.629, 18.32) [0.2635, 0.1787, 0.9019]\n", + " PeriodicSite: Li (3.282, 9.537, 13.63) [0.1616, 0.4695, 0.6712]\n", + " PeriodicSite: Li (7.096, 0.3544, 3.416) [0.3494, 0.01745, 0.1682]\n", + " PeriodicSite: Li (2.511, 15.81, 12.81) [0.1236, 0.7786, 0.6306]\n", + " PeriodicSite: Li (13.32, 9.089, 4.268) [0.656, 0.4475, 0.2101]\n", + " PeriodicSite: Li (13.8, 10.22, 13.65) [0.6791, 0.5033, 0.6719]\n", + " PeriodicSite: Li (12.72, 17.77, 5.035) [0.626, 0.8749, 0.2479]\n", + " PeriodicSite: Li (18.2, 4.94, 15.54) [0.8958, 0.2432, 0.7652]\n", + " PeriodicSite: Li (7.686, 3.802, 0.4949) [0.3784, 0.1872, 0.02437]\n", + " PeriodicSite: Li (9.686, 3.818, 13.28) [0.4769, 0.188, 0.6537]\n", + " PeriodicSite: Li (7.15, 12.11, 4.86) [0.352, 0.5961, 0.2393]\n", + " PeriodicSite: Li (7.282, 12.3, 15.11) [0.3585, 0.6053, 0.7438]\n", + " PeriodicSite: Li (18.75, 4.463, 3.181) [0.9231, 0.2197, 0.1566]\n", + " PeriodicSite: Li (13.05, 3.286, 9.779) [0.6426, 0.1618, 0.4814]\n", + " PeriodicSite: Li (20.18, 13.07, 3.53) [0.9935, 0.6433, 0.1738]\n", + " PeriodicSite: Li (17.19, 10.28, 13.29) [0.8461, 0.5061, 0.6544]\n", + " PeriodicSite: Li (6.252, 17.91, 5.569) [0.3078, 0.8815, 0.2742]\n", + " PeriodicSite: Li (8.121, 2.171, 14.89) [0.3998, 0.1069, 0.7331]\n", + " PeriodicSite: Li (4.313, 12.26, 19.51) [0.2123, 0.6036, 0.9604]\n", + " PeriodicSite: Li (9.914, 13.25, 12.99) [0.4881, 0.6521, 0.6394]\n", + " PeriodicSite: Li (14.46, 19.55, 2.99) [0.712, 0.9624, 0.1472]\n", + " PeriodicSite: Li (18.77, 1.871, 10.45) [0.9242, 0.0921, 0.5146]\n", + " PeriodicSite: Li (17.58, 13.72, 0.48) [0.8657, 0.6753, 0.02364]\n", + " PeriodicSite: Li (17.71, 14.76, 11.22) [0.8718, 0.7267, 0.5524]\n", + " PeriodicSite: Li (9.12, 3.322, 3.932) [0.449, 0.1635, 0.1936]\n", + " PeriodicSite: Li (8.821, 1.006, 11.92) [0.4343, 0.04953, 0.587]\n", + " PeriodicSite: Li (8.876, 14.52, 3.478) [0.437, 0.7146, 0.1712]\n", + " PeriodicSite: Li (5.485, 13.17, 11.01) [0.27, 0.6486, 0.5418]\n", + " PeriodicSite: Li (20.26, 1.789, 1.493) [0.9974, 0.08807, 0.07351]\n", + " PeriodicSite: Li (0.4392, 7.536, 12.73) [0.02162, 0.371, 0.6269]\n", + " PeriodicSite: Li (15.35, 13.58, 2.384) [0.7555, 0.6686, 0.1174]\n", + " PeriodicSite: Li (15.71, 12.75, 14.3) [0.7733, 0.6279, 0.7041]\n", + " PeriodicSite: Li (3.645, 20.31, 7.082) [0.1794, 0.9998, 0.3487]\n", + " PeriodicSite: Li (6.926, 19.52, 15.76) [0.341, 0.9612, 0.776]\n", + " PeriodicSite: Li (5.103, 12.99, 2.096) [0.2512, 0.6395, 0.1032]\n", + " PeriodicSite: Li (8.474, 7.075, 15.42) [0.4172, 0.3483, 0.7592]\n", + " PeriodicSite: Li (17.39, 4.17, 0.573) [0.8561, 0.2053, 0.02821]\n", + " PeriodicSite: Li (15.17, 17.23, 12.27) [0.7471, 0.8483, 0.6043]\n", + " PeriodicSite: Li (14.89, 13.02, 18.97) [0.7328, 0.6409, 0.934]\n", + " PeriodicSite: Li (17.9, 11.29, 10.78) [0.8813, 0.556, 0.5307]\n", + " PeriodicSite: Li (8.285, 8.252, 20.18) [0.4079, 0.4062, 0.9933]\n", + " PeriodicSite: Li (5.196, 1.44, 13.42) [0.2558, 0.07091, 0.6607]\n", + " PeriodicSite: Li (9.379, 11.25, 1.929) [0.4617, 0.5537, 0.09496]\n", + " PeriodicSite: Li (8.46, 12.69, 10.02) [0.4165, 0.6246, 0.4931]\n", + " PeriodicSite: Li (14.71, 2.932, 1.715) [0.724, 0.1443, 0.08445]\n", + " PeriodicSite: Li (16.26, 3.65, 11.0) [0.8005, 0.1797, 0.5416]\n", + " PeriodicSite: Li (0.6901, 11.85, 18.64) [0.03398, 0.5836, 0.9175]\n", + " PeriodicSite: Li (17.94, 14.88, 14.53) [0.8832, 0.7326, 0.7153]\n", + " PeriodicSite: Li (5.48, 3.163, 2.376) [0.2698, 0.1557, 0.117]\n", + " PeriodicSite: Li (6.849, 3.09, 10.3) [0.3372, 0.1521, 0.507]\n", + " PeriodicSite: Li (6.867, 14.99, 1.615) [0.3381, 0.7381, 0.07953]\n", + " PeriodicSite: Li (4.115, 17.4, 10.91) [0.2026, 0.8568, 0.5373]\n", + " PeriodicSite: Li (17.55, 0.595, 0.8043) [0.8638, 0.02928, 0.0396]\n", + " PeriodicSite: Li (2.275, 5.752, 14.93) [0.112, 0.2832, 0.735]\n", + " PeriodicSite: Li (4.947, 12.1, 7.391) [0.2436, 0.5959, 0.3639]\n", + " PeriodicSite: Li (15.28, 12.97, 10.56) [0.7525, 0.6386, 0.5197]\n", + " PeriodicSite: Li (17.53, 12.47, 5.003) [0.8631, 0.6138, 0.2463]\n", + " PeriodicSite: Li (5.288, 7.718, 15.97) [0.2603, 0.38, 0.7863]\n", + " PeriodicSite: Li (6.934, 14.98, 12.11) [0.3414, 0.7375, 0.5962]\n", + " PeriodicSite: Li (2.159, 18.15, 0.3603) [0.1063, 0.8938, 0.01774]\n", + " PeriodicSite: Li (16.71, 10.16, 7.107) [0.8224, 0.5003, 0.3499]\n", + " PeriodicSite: Li (2.367, 5.047, 17.89) [0.1165, 0.2485, 0.8807]\n", + " PeriodicSite: Li (16.15, 2.457, 4.055) [0.7949, 0.1209, 0.1996]\n", + " PeriodicSite: Li (18.31, 20.29, 18.27) [0.9013, 0.9989, 0.8994]\n", + " PeriodicSite: Li (5.152, 7.979, 7.075) [0.2536, 0.3928, 0.3483]\n", + " PeriodicSite: Li (8.514, 5.071, 17.54) [0.4191, 0.2497, 0.8637]\n", + " PeriodicSite: Li (7.448, 19.58, 8.606) [0.3667, 0.9641, 0.4237]\n", + " PeriodicSite: Li (8.057, 16.14, 15.9) [0.3967, 0.7945, 0.7826]\n", + " PeriodicSite: Li (17.43, 6.406, 9.782) [0.8579, 0.3154, 0.4816]\n", + " PeriodicSite: Li (18.77, 8.376, 20.14) [0.9239, 0.4123, 0.9917]\n", + " PeriodicSite: Li (17.38, 20.3, 7.22) [0.8557, 0.9996, 0.3555]\n", + " PeriodicSite: Li (19.71, 16.22, 17.33) [0.9706, 0.7983, 0.8534]\n", + " PeriodicSite: Li (7.098, 6.108, 9.328) [0.3495, 0.3007, 0.4592]\n", + " PeriodicSite: Li (2.779, 1.643, 15.62) [0.1368, 0.08091, 0.7688]\n", + " PeriodicSite: Li (7.466, 16.12, 9.215) [0.3676, 0.7935, 0.4537]\n", + " PeriodicSite: Li (17.15, 10.46, 16.9) [0.8445, 0.5152, 0.832]\n", + " PeriodicSite: Li (20.27, 8.718, 8.755) [0.998, 0.4292, 0.431]\n", + " PeriodicSite: Li (16.52, 5.378, 18.37) [0.8135, 0.2648, 0.9045]\n", + " PeriodicSite: Li (15.53, 17.39, 8.874) [0.7648, 0.8559, 0.4369]\n", + " PeriodicSite: Li (15.03, 16.8, 18.74) [0.7401, 0.8271, 0.9225]\n", + " PeriodicSite: Li (9.438, 8.278, 9.827) [0.4646, 0.4075, 0.4838]\n", + " PeriodicSite: Li (6.171, 6.291, 1.336) [0.3038, 0.3097, 0.0658]\n", + " PeriodicSite: Li (5.323, 16.53, 8.171) [0.262, 0.8139, 0.4023]\n", + " PeriodicSite: Li (7.15, 13.14, 0.1331) [0.352, 0.6469, 0.006555]\n", + " PeriodicSite: Li (15.46, 6.992, 8.303) [0.7609, 0.3442, 0.4088]\n", + " PeriodicSite: Li (19.85, 7.983, 17.12) [0.9772, 0.393, 0.8428]\n", + " PeriodicSite: Li (15.93, 18.27, 6.153) [0.7841, 0.8997, 0.3029]\n", + " PeriodicSite: Li (16.31, 18.76, 15.91) [0.8031, 0.9236, 0.7831]\n", + " PeriodicSite: Li (6.909, 5.107, 12.35) [0.3401, 0.2514, 0.6082]\n", + " PeriodicSite: Li (5.663, 6.389, 18.56) [0.2788, 0.3145, 0.9138]\n", + " PeriodicSite: Li (9.732, 17.88, 8.38) [0.4791, 0.8802, 0.4125]\n", + " PeriodicSite: Li (11.76, 18.11, 0.3413) [0.5788, 0.8914, 0.01681]\n", + " PeriodicSite: Li (15.89, 7.943, 5.418) [0.7824, 0.3911, 0.2667]\n", + " PeriodicSite: Li (16.25, 6.486, 1.412) [0.8, 0.3193, 0.06954]\n", + " PeriodicSite: Li (18.54, 18.54, 9.739) [0.9125, 0.9128, 0.4795]\n", + " PeriodicSite: Li (17.84, 0.5373, 3.753) [0.8785, 0.02644, 0.1848]\n", + " PeriodicSite: Li (6.877, 10.04, 3.37) [0.3386, 0.4944, 0.1659]\n", + " PeriodicSite: Li (10.03, 7.882, 17.83) [0.4936, 0.388, 0.878]\n", + " PeriodicSite: Li (8.267, 15.67, 6.36) [0.407, 0.7716, 0.3131]\n", + " PeriodicSite: Li (5.006, 1.211, 17.46) [0.2465, 0.05961, 0.8596]\n", + " PeriodicSite: Li (18.95, 7.568, 5.648) [0.9327, 0.3726, 0.2781]\n", + " PeriodicSite: Li (19.64, 10.82, 2.293) [0.9667, 0.5325, 0.1129]\n", + " PeriodicSite: Li (2.935, 15.26, 1.829) [0.1445, 0.751, 0.09007]\n", + " PeriodicSite: Li (14.36, 1.308, 13.47) [0.7072, 0.0644, 0.663]\n", + " PeriodicSite: Cl (7.443, 12.79, 12.33) [0.3664, 0.6297, 0.6069]\n", + " PeriodicSite: Cl (2.643, 12.51, 17.82) [0.1301, 0.6158, 0.8772]\n", + " PeriodicSite: Cl (12.83, 17.58, 12.83) [0.6316, 0.8657, 0.6318]\n", + " PeriodicSite: Cl (17.61, 7.765, 17.59) [0.8671, 0.3823, 0.8658]\n", + " PeriodicSite: Cl (7.531, 2.509, 2.546) [0.3707, 0.1235, 0.1253]\n", + " PeriodicSite: Cl (7.681, 8.091, 7.809) [0.3781, 0.3983, 0.3844]\n", + " PeriodicSite: Cl (12.63, 12.82, 7.436) [0.622, 0.631, 0.3661]\n", + " PeriodicSite: Cl (2.674, 7.571, 2.798) [0.1317, 0.3727, 0.1377]\n", + " PeriodicSite: Cl (2.87, 7.086, 13.08) [0.1413, 0.3489, 0.6441]\n", + " PeriodicSite: Cl (12.71, 11.99, 17.7) [0.6259, 0.5903, 0.8715]\n", + " PeriodicSite: Cl (17.7, 17.57, 18.08) [0.8715, 0.8649, 0.8903]\n", + " PeriodicSite: Cl (2.109, 2.661, 7.149) [0.1038, 0.131, 0.352]\n", + " PeriodicSite: Cl (12.72, 2.035, 17.58) [0.6262, 0.1002, 0.8654]\n", + " PeriodicSite: Cl (12.13, 7.702, 2.469) [0.5972, 0.3792, 0.1216]\n", + " PeriodicSite: Cl (17.67, 2.676, 12.84) [0.8701, 0.1317, 0.6322]\n", + " PeriodicSite: Cl (7.157, 17.78, 17.48) [0.3524, 0.8752, 0.8604]\n", + " PeriodicSite: Cl (19.84, 0.09293, 19.99) [0.9767, 0.004568, 0.984]\n", + " PeriodicSite: Cl (20.23, 20.26, 10.42) [0.9961, 0.9973, 0.5131]\n", + " PeriodicSite: Cl (0.3178, 9.95, 0.1125) [0.01564, 0.4898, 0.005539]\n", + " PeriodicSite: Cl (0.06984, 10.39, 10.17) [0.003436, 0.5118, 0.5006]\n", + " PeriodicSite: Cl (10.3, 19.84, 20.19) [0.5073, 0.9766, 0.9937]\n", + " PeriodicSite: Cl (9.939, 19.72, 9.859) [0.4893, 0.9707, 0.4854]\n", + " PeriodicSite: Cl (10.08, 9.883, 20.13) [0.4965, 0.4866, 0.9912]\n", + " PeriodicSite: Cl (10.37, 10.37, 9.858) [0.5106, 0.5103, 0.4853]\n", + " PeriodicSite: Cl (20.18, 4.935, 5.592) [0.9936, 0.243, 0.2753]\n", + " PeriodicSite: Cl (0.1607, 5.221, 15.64) [0.007915, 0.2571, 0.7699]\n", + " PeriodicSite: Cl (20.12, 15.05, 4.753) [0.9907, 0.7411, 0.234]\n", + " PeriodicSite: Cl (20.1, 15.35, 15.22) [0.9896, 0.7556, 0.7492]\n", + " PeriodicSite: Cl (10.26, 5.041, 4.942) [0.5052, 0.2481, 0.2433]\n", + " PeriodicSite: Cl (10.35, 5.499, 14.76) [0.5097, 0.2707, 0.7268]\n", + " PeriodicSite: Cl (10.53, 15.13, 4.855) [0.5183, 0.7448, 0.239]\n", + " PeriodicSite: Cl (10.02, 15.4, 15.21) [0.4935, 0.7581, 0.7486]\n", + " PeriodicSite: S (5.003, 20.08, 5.193) [0.2463, 0.9888, 0.2557]\n", + " PeriodicSite: S (4.633, 20.2, 15.4) [0.2281, 0.9944, 0.7583]\n", + " PeriodicSite: S (5.382, 9.927, 5.172) [0.2649, 0.4887, 0.2546]\n", + " PeriodicSite: S (5.047, 10.04, 15.34) [0.2485, 0.4943, 0.7552]\n", + " PeriodicSite: S (15.4, 0.328, 5.213) [0.7581, 0.01614, 0.2566]\n", + " PeriodicSite: S (14.85, 0.2963, 15.37) [0.7312, 0.01458, 0.7567]\n", + " PeriodicSite: S (15.15, 10.47, 5.379) [0.7456, 0.5152, 0.2648]\n", + " PeriodicSite: S (15.39, 10.51, 15.34) [0.7575, 0.5175, 0.755]\n", + " PeriodicSite: S (5.326, 4.637, 0.1885) [0.2622, 0.2283, 0.009284]\n", + " PeriodicSite: S (5.314, 5.105, 10.34) [0.2616, 0.2513, 0.5091]\n", + " PeriodicSite: S (5.182, 14.33, 0.0847) [0.2551, 0.7052, 0.004172]\n", + " PeriodicSite: S (5.137, 15.5, 10.23) [0.2529, 0.7628, 0.5037]\n", + " PeriodicSite: S (15.12, 4.983, 20.28) [0.7442, 0.2453, 0.9983]\n", + " PeriodicSite: S (15.06, 5.389, 10.0) [0.7417, 0.2653, 0.4925]\n", + " PeriodicSite: S (15.3, 15.03, 0.06442) [0.7534, 0.7397, 0.003177]\n", + " PeriodicSite: S (15.42, 15.45, 10.32) [0.7592, 0.7605, 0.5079]\n", + " PeriodicSite: S (8.59, 4.121, 8.933) [0.4229, 0.2029, 0.4398]\n", + " PeriodicSite: S (9.517, 3.65, 18.97) [0.4685, 0.1797, 0.934]\n", + " PeriodicSite: S (9.265, 14.44, 8.704) [0.4561, 0.7108, 0.4285]\n", + " PeriodicSite: S (8.689, 14.29, 18.85) [0.4277, 0.7037, 0.9282]\n", + " PeriodicSite: S (18.86, 4.135, 8.963) [0.9285, 0.2035, 0.4412]\n", + " PeriodicSite: S (19.0, 4.086, 19.03) [0.9354, 0.2012, 0.9367]\n", + " PeriodicSite: S (19.0, 13.98, 9.271) [0.9356, 0.6881, 0.4564]\n", + " PeriodicSite: S (19.43, 14.01, 19.05) [0.9565, 0.6897, 0.9379]\n", + " PeriodicSite: S (3.88, 1.351, 1.279) [0.191, 0.06651, 0.06298]\n", + " PeriodicSite: S (3.576, 1.523, 10.88) [0.1761, 0.075, 0.5356]\n", + " PeriodicSite: S (3.77, 10.94, 1.091) [0.1856, 0.5388, 0.05373]\n", + " PeriodicSite: S (3.927, 11.29, 11.68) [0.1933, 0.5561, 0.5752]\n", + " PeriodicSite: S (13.75, 0.8799, 1.078) [0.6769, 0.04331, 0.0531]\n", + " PeriodicSite: S (14.23, 1.661, 11.24) [0.7006, 0.08174, 0.5534]\n", + " PeriodicSite: S (14.36, 11.06, 1.569) [0.707, 0.5444, 0.07723]\n", + " PeriodicSite: S (13.87, 11.36, 11.38) [0.6828, 0.5592, 0.5604]\n", + " PeriodicSite: S (6.296, 1.104, 8.955) [0.3099, 0.05435, 0.4408]\n", + " PeriodicSite: S (6.191, 1.457, 19.38) [0.3048, 0.07175, 0.954]\n", + " PeriodicSite: S (6.091, 11.75, 9.153) [0.2999, 0.5786, 0.4506]\n", + " PeriodicSite: S (6.211, 10.73, 19.33) [0.3058, 0.5282, 0.9516]\n", + " PeriodicSite: S (16.61, 1.393, 9.154) [0.8179, 0.06859, 0.4507]\n", + " PeriodicSite: S (16.17, 0.9036, 19.0) [0.7959, 0.04448, 0.9354]\n", + " PeriodicSite: S (16.15, 11.45, 8.913) [0.7953, 0.5637, 0.4388]\n", + " PeriodicSite: S (16.61, 11.42, 19.27) [0.8179, 0.562, 0.9488]\n", + " PeriodicSite: S (1.235, 3.898, 1.089) [0.06081, 0.1919, 0.0536]\n", + " PeriodicSite: S (1.085, 3.738, 10.86) [0.05341, 0.184, 0.5347]\n", + " PeriodicSite: S (1.114, 13.96, 1.519) [0.05482, 0.6875, 0.07477]\n", + " PeriodicSite: S (1.375, 13.96, 11.18) [0.06771, 0.6874, 0.5503]\n", + " PeriodicSite: S (11.58, 3.897, 1.201) [0.5702, 0.1919, 0.05912]\n", + " PeriodicSite: S (11.19, 4.061, 11.29) [0.5509, 0.1999, 0.5559]\n", + " PeriodicSite: S (11.08, 13.48, 0.7555) [0.5457, 0.6635, 0.0372]\n", + " PeriodicSite: S (11.3, 13.82, 11.18) [0.5565, 0.6804, 0.5505]\n", + " PeriodicSite: S (2.842, 2.618, 17.72) [0.1399, 0.1289, 0.8726]\n", + " PeriodicSite: S (2.629, 12.69, 7.421) [0.1294, 0.6246, 0.3653]\n", + " PeriodicSite: S (12.43, 2.796, 7.523) [0.6119, 0.1376, 0.3704]\n", + " PeriodicSite: S (8.918, 8.956, 4.112) [0.439, 0.4409, 0.2025]\n", + " PeriodicSite: S (9.056, 9.247, 13.74) [0.4458, 0.4553, 0.6765]\n", + " PeriodicSite: S (9.015, 18.91, 4.218) [0.4438, 0.931, 0.2077]\n", + " PeriodicSite: S (8.822, 19.12, 13.63) [0.4343, 0.9411, 0.671]\n", + " PeriodicSite: S (18.65, 9.239, 4.242) [0.9181, 0.4548, 0.2088]\n", + " PeriodicSite: S (19.24, 9.001, 14.48) [0.9471, 0.4431, 0.7128]\n", + " PeriodicSite: S (19.45, 19.1, 3.658) [0.9576, 0.9402, 0.1801]\n", + " PeriodicSite: S (18.65, 19.35, 14.33) [0.9183, 0.9526, 0.7054]\n", + " PeriodicSite: S (3.721, 6.2, 6.236) [0.1832, 0.3052, 0.307]\n", + " PeriodicSite: S (4.234, 5.837, 16.81) [0.2085, 0.2874, 0.8277]\n", + " PeriodicSite: S (3.874, 16.25, 6.179) [0.1907, 0.7998, 0.3042]\n", + " PeriodicSite: S (3.7, 16.34, 16.14) [0.1822, 0.8046, 0.7945]\n", + " PeriodicSite: S (14.19, 6.625, 6.204) [0.6988, 0.3261, 0.3054]\n", + " PeriodicSite: S (14.12, 6.385, 16.23) [0.6951, 0.3143, 0.7992]\n", + " PeriodicSite: S (14.19, 16.71, 6.585) [0.6987, 0.8227, 0.3242]\n", + " PeriodicSite: S (13.83, 16.59, 16.48) [0.6808, 0.8169, 0.8113]\n", + " PeriodicSite: S (6.517, 5.652, 4.192) [0.3208, 0.2782, 0.2064]\n", + " PeriodicSite: S (6.265, 6.119, 14.38) [0.3084, 0.3012, 0.708]\n", + " PeriodicSite: S (6.567, 16.26, 3.993) [0.3233, 0.8005, 0.1966]\n", + " PeriodicSite: S (6.29, 16.3, 13.91) [0.3097, 0.8027, 0.6846]\n", + " PeriodicSite: S (16.8, 6.172, 4.146) [0.827, 0.3038, 0.2041]\n", + " PeriodicSite: S (16.54, 6.024, 14.11) [0.8141, 0.2965, 0.6949]\n", + " PeriodicSite: S (16.4, 16.83, 4.081) [0.8072, 0.8284, 0.2009]\n", + " PeriodicSite: S (16.51, 16.57, 14.04) [0.813, 0.8158, 0.6913]\n", + " PeriodicSite: S (0.841, 8.908, 6.33) [0.0414, 0.4385, 0.3116]\n", + " PeriodicSite: S (1.61, 8.699, 16.38) [0.07926, 0.4283, 0.8062]\n", + " PeriodicSite: S (1.26, 19.42, 6.295) [0.06202, 0.9559, 0.3099]\n", + " PeriodicSite: S (0.8825, 19.29, 16.53) [0.04344, 0.9494, 0.8138]\n", + " PeriodicSite: S (11.57, 8.822, 6.063) [0.5694, 0.4343, 0.2985]\n", + " PeriodicSite: S (11.22, 8.905, 16.25) [0.5524, 0.4384, 0.7998]\n", + " PeriodicSite: S (11.4, 19.37, 6.26) [0.5612, 0.9537, 0.3082]\n", + " PeriodicSite: S (11.28, 18.93, 15.83) [0.5553, 0.9322, 0.7792]\n", + " PeriodicSite: S (2.874, 17.56, 2.504) [0.1415, 0.8646, 0.1233]\n", + " PeriodicSite: S (2.186, 18.0, 12.76) [0.1076, 0.886, 0.628]\n", + " PeriodicSite: S (12.92, 8.118, 12.49) [0.6359, 0.3996, 0.6148]\n", + " PeriodicSite: S (12.72, 17.95, 2.735) [0.6264, 0.8835, 0.1347]\n", + " PeriodicSite: S (3.751, 3.75, 3.814) [0.1846, 0.1846, 0.1878]\n", + " PeriodicSite: S (3.805, 3.776, 14.22) [0.1873, 0.1859, 0.6998]\n", + " PeriodicSite: S (3.754, 14.2, 3.816) [0.1848, 0.6992, 0.1879]\n", + " PeriodicSite: S (3.904, 14.01, 13.78) [0.1922, 0.6897, 0.6782]\n", + " PeriodicSite: S (13.83, 4.459, 3.742) [0.681, 0.2195, 0.1842]\n", + " PeriodicSite: S (13.93, 3.595, 14.48) [0.6858, 0.177, 0.713]\n", + " PeriodicSite: S (14.1, 14.49, 4.102) [0.6943, 0.7133, 0.202]\n", + " PeriodicSite: S (13.97, 14.32, 13.95) [0.6876, 0.705, 0.687]\n", + " PeriodicSite: S (8.818, 1.221, 6.344) [0.4341, 0.06012, 0.3123]\n", + " PeriodicSite: S (8.784, 0.5612, 16.51) [0.4325, 0.02762, 0.813]\n", + " PeriodicSite: S (9.057, 11.47, 6.443) [0.4459, 0.5646, 0.3172]\n", + " PeriodicSite: S (9.096, 11.2, 16.53) [0.4478, 0.5513, 0.8138]\n", + " PeriodicSite: S (19.35, 1.389, 5.686) [0.9528, 0.0684, 0.2799]\n", + " PeriodicSite: S (19.0, 1.596, 16.55) [0.9355, 0.07856, 0.8146]\n", + " PeriodicSite: S (18.88, 11.56, 6.516) [0.9294, 0.5693, 0.3208]\n", + " PeriodicSite: S (19.45, 11.37, 16.58) [0.9574, 0.5598, 0.8162]\n", + " PeriodicSite: S (1.522, 1.23, 3.576) [0.07495, 0.06053, 0.1761]\n", + " PeriodicSite: S (0.7628, 1.197, 13.9) [0.03756, 0.05893, 0.6842]\n", + " PeriodicSite: S (1.05, 11.22, 4.097) [0.05171, 0.5525, 0.2017]\n", + " PeriodicSite: S (1.534, 11.33, 14.24) [0.0755, 0.5579, 0.7012]\n", + " PeriodicSite: S (10.95, 1.343, 3.905) [0.539, 0.0661, 0.1922]\n", + " PeriodicSite: S (11.0, 1.528, 14.07) [0.5416, 0.07521, 0.6927]\n", + " PeriodicSite: S (11.33, 11.32, 3.905) [0.5577, 0.5572, 0.1923]\n", + " PeriodicSite: S (11.42, 11.42, 14.03) [0.5623, 0.5622, 0.6908]\n", + " PeriodicSite: S (5.87, 3.641, 6.768) [0.289, 0.1792, 0.3332]\n", + " PeriodicSite: S (6.471, 3.204, 16.42) [0.3186, 0.1577, 0.8086]\n", + " PeriodicSite: S (6.296, 14.07, 6.383) [0.3099, 0.6925, 0.3142]\n", + " PeriodicSite: S (6.028, 14.02, 16.45) [0.2968, 0.6901, 0.8101]\n", + " PeriodicSite: S (16.0, 3.783, 6.23) [0.7878, 0.1863, 0.3067]\n", + " PeriodicSite: S (16.28, 3.823, 16.7) [0.8013, 0.1882, 0.8224]\n", + " PeriodicSite: S (16.45, 14.47, 6.391) [0.81, 0.7124, 0.3146]\n", + " PeriodicSite: S (16.29, 14.38, 16.3) [0.8019, 0.7078, 0.8026]\n", + " PeriodicSite: S (7.242, 2.747, 12.78) [0.3565, 0.1352, 0.6293]\n", + " PeriodicSite: S (7.428, 12.63, 2.494) [0.3657, 0.622, 0.1228]\n", + " PeriodicSite: S (17.65, 2.347, 2.207) [0.8692, 0.1155, 0.1087]\n", + " PeriodicSite: S (17.87, 12.92, 2.765) [0.8799, 0.6359, 0.1361]\n", + " PeriodicSite: S (17.94, 12.65, 12.84) [0.883, 0.6226, 0.6321]\n", + " PeriodicSite: S (3.874, 9.321, 9.115) [0.1907, 0.4589, 0.4487]\n", + " PeriodicSite: S (3.984, 8.218, 19.5) [0.1961, 0.4046, 0.96]\n", + " PeriodicSite: S (3.726, 18.93, 8.959) [0.1834, 0.932, 0.441]\n", + " PeriodicSite: S (3.842, 19.31, 19.27) [0.1891, 0.9508, 0.9487]\n", + " PeriodicSite: S (13.84, 9.042, 8.894) [0.6812, 0.4451, 0.4379]\n", + " PeriodicSite: S (14.06, 9.025, 19.3) [0.692, 0.4443, 0.9504]\n", + " PeriodicSite: S (14.0, 19.65, 8.964) [0.6893, 0.9676, 0.4413]\n", + " PeriodicSite: S (13.78, 18.66, 19.13) [0.6784, 0.9186, 0.9417]\n", + " PeriodicSite: S (8.993, 5.98, 1.07) [0.4428, 0.2944, 0.05269]\n", + " PeriodicSite: S (8.955, 6.428, 11.49) [0.4409, 0.3165, 0.5656]\n", + " PeriodicSite: S (8.962, 16.1, 1.282) [0.4412, 0.7924, 0.0631]\n", + " PeriodicSite: S (9.048, 16.23, 11.3) [0.4454, 0.7992, 0.5565]\n", + " PeriodicSite: S (19.04, 6.057, 1.343) [0.9373, 0.2982, 0.06615]\n", + " PeriodicSite: S (19.02, 6.148, 11.72) [0.9363, 0.3027, 0.577]\n", + " PeriodicSite: S (19.16, 16.36, 1.23) [0.943, 0.8055, 0.06057]\n", + " PeriodicSite: S (19.27, 16.55, 11.31) [0.9488, 0.8146, 0.5567]\n", + " PeriodicSite: S (0.9529, 6.623, 9.173) [0.04691, 0.326, 0.4516]\n", + " PeriodicSite: S (0.9133, 6.529, 19.05) [0.04497, 0.3214, 0.9376]\n", + " PeriodicSite: S (1.074, 16.21, 8.694) [0.05285, 0.7983, 0.428]\n", + " PeriodicSite: S (1.63, 16.3, 19.51) [0.08026, 0.8022, 0.9604]\n", + " PeriodicSite: S (11.05, 6.471, 8.977) [0.5441, 0.3186, 0.442]\n", + " PeriodicSite: S (11.59, 6.446, 19.27) [0.5705, 0.3174, 0.9487]\n", + " PeriodicSite: S (11.64, 16.67, 9.265) [0.5732, 0.8205, 0.4561]\n", + " PeriodicSite: S (11.35, 16.25, 19.16) [0.5587, 0.7998, 0.9433]\n", + " PeriodicSite: S (6.358, 8.498, 1.644) [0.313, 0.4184, 0.08095]\n", + " PeriodicSite: S (6.592, 9.19, 11.14) [0.3245, 0.4524, 0.5485]\n", + " PeriodicSite: S (6.621, 19.47, 1.326) [0.326, 0.9586, 0.06528]\n", + " PeriodicSite: S (5.621, 19.31, 11.59) [0.2767, 0.9505, 0.5707]\n", + " PeriodicSite: S (16.8, 8.882, 1.314) [0.8272, 0.4373, 0.06471]\n", + " PeriodicSite: S (16.41, 8.996, 11.28) [0.8077, 0.4429, 0.5554]\n", + " PeriodicSite: S (16.1, 18.98, 1.244) [0.7928, 0.9342, 0.06123]\n", + " PeriodicSite: S (16.37, 19.19, 11.34) [0.806, 0.9447, 0.5581]\n", + " PeriodicSite: S (7.738, 7.43, 17.81) [0.381, 0.3658, 0.8766]\n", + " PeriodicSite: S (7.481, 17.52, 7.489) [0.3683, 0.8624, 0.3687]\n", + " PeriodicSite: S (17.6, 7.442, 7.558) [0.8667, 0.3664, 0.3721]\n", + " PeriodicSite: S (17.67, 17.91, 7.672) [0.8699, 0.882, 0.3777]\n", + " PeriodicSite: P (5.192, 0.1582, 0.2219) [0.2556, 0.007784, 0.01093]\n", + " PeriodicSite: P (4.772, 0.02443, 10.06) [0.2349, 0.001201, 0.4953]\n", + " PeriodicSite: P (5.097, 9.584, 0.3633) [0.2509, 0.4718, 0.01789]\n", + " PeriodicSite: P (5.231, 10.36, 10.32) [0.2575, 0.51, 0.5081]\n", + " PeriodicSite: P (14.95, 20.03, 20.13) [0.7362, 0.9863, 0.9911]\n", + " PeriodicSite: P (15.32, 0.2397, 10.27) [0.7542, 0.0118, 0.5054]\n", + " PeriodicSite: P (15.48, 10.06, 0.1231) [0.762, 0.4953, 0.006064]\n", + " PeriodicSite: P (15.08, 10.07, 10.17) [0.7426, 0.496, 0.5008]\n", + " PeriodicSite: P (5.035, 4.755, 5.283) [0.2479, 0.2341, 0.2601]\n", + " PeriodicSite: P (5.242, 4.677, 15.48) [0.2581, 0.2303, 0.762]\n", + " PeriodicSite: P (5.15, 15.2, 5.129) [0.2536, 0.7481, 0.2525]\n", + " PeriodicSite: P (4.99, 15.22, 15.04) [0.2457, 0.7493, 0.7404]\n", + " PeriodicSite: P (15.2, 5.3, 5.103) [0.7482, 0.2609, 0.2512]\n", + " PeriodicSite: P (15.24, 4.952, 15.31) [0.7504, 0.2438, 0.7536]\n", + " PeriodicSite: P (15.27, 15.62, 5.253) [0.7515, 0.7691, 0.2586]\n", + " PeriodicSite: P (15.09, 15.51, 15.18) [0.7427, 0.7636, 0.7474]\n", + " PeriodicSite: P (0.2243, 0.06943, 4.684) [0.01104, 0.003418, 0.2306]\n", + " PeriodicSite: P (20.0, 0.167, 15.37) [0.9846, 0.008216, 0.7566]\n", + " PeriodicSite: P (19.94, 10.33, 5.326) [0.9816, 0.5087, 0.2622]\n", + " PeriodicSite: P (0.2825, 10.09, 15.44) [0.01391, 0.4965, 0.7603]\n", + " PeriodicSite: P (10.02, 0.05808, 5.127) [0.4933, 0.002855, 0.2524]\n", + " PeriodicSite: P (10.01, 20.3, 14.92) [0.4927, 0.9991, 0.7345]\n", + " PeriodicSite: P (10.25, 10.17, 5.159) [0.5047, 0.5008, 0.254]\n", + " PeriodicSite: P (10.16, 10.15, 15.11) [0.5002, 0.4997, 0.744]\n", + " PeriodicSite: P (20.22, 5.166, 20.18) [0.9954, 0.2543, 0.9937]\n", + " PeriodicSite: P (20.15, 5.237, 10.16) [0.9922, 0.2578, 0.5004]\n", + " PeriodicSite: P (0.1982, 15.18, 0.0809) [0.00975, 0.7474, 0.003984]\n", + " PeriodicSite: P (20.28, 15.24, 10.17) [0.9985, 0.7505, 0.5008]\n", + " PeriodicSite: P (10.48, 5.088, 20.27) [0.5158, 0.2505, 0.9979]\n", + " PeriodicSite: P (9.878, 5.168, 10.06) [0.4863, 0.2544, 0.4951]\n", + " PeriodicSite: P (10.06, 15.02, 20.19) [0.4953, 0.7395, 0.9939]\n", + " PeriodicSite: P (10.42, 15.39, 10.12) [0.5128, 0.7579, 0.4984],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.043, 6.345, 4.98) [0.1006, 0.3124, 0.2452]\n", + " PeriodicSite: Li (19.98, 2.629, 12.66) [0.9838, 0.1294, 0.6235]\n", + " PeriodicSite: Li (0.1552, 12.7, 7.855) [0.007639, 0.6253, 0.3867]\n", + " PeriodicSite: Li (20.24, 13.03, 15.25) [0.9965, 0.6413, 0.7509]\n", + " PeriodicSite: Li (14.96, 1.726, 7.196) [0.7366, 0.08495, 0.3543]\n", + " PeriodicSite: Li (12.12, 3.653, 15.8) [0.5965, 0.1798, 0.7777]\n", + " PeriodicSite: Li (14.94, 12.44, 5.9) [0.7353, 0.6124, 0.2905]\n", + " PeriodicSite: Li (16.23, 7.809, 15.54) [0.7991, 0.3844, 0.7652]\n", + " PeriodicSite: Li (3.991, 4.279, 8.519) [0.1965, 0.2107, 0.4194]\n", + " PeriodicSite: Li (3.362, 3.012, 0.3607) [0.1655, 0.1483, 0.01776]\n", + " PeriodicSite: Li (5.081, 8.261, 4.317) [0.2501, 0.4067, 0.2125]\n", + " PeriodicSite: Li (7.263, 9.485, 16.7) [0.3576, 0.4669, 0.8222]\n", + " PeriodicSite: Li (12.67, 4.065, 5.43) [0.6236, 0.2001, 0.2673]\n", + " PeriodicSite: Li (13.71, 20.23, 17.33) [0.6748, 0.9957, 0.853]\n", + " PeriodicSite: Li (11.44, 9.69, 11.62) [0.5631, 0.477, 0.5721]\n", + " PeriodicSite: Li (8.017, 18.2, 19.94) [0.3947, 0.8962, 0.9819]\n", + " PeriodicSite: Li (6.331, 1.039, 6.16) [0.3117, 0.05113, 0.3033]\n", + " PeriodicSite: Li (4.768, 18.7, 13.11) [0.2347, 0.9208, 0.6454]\n", + " PeriodicSite: Li (3.508, 10.83, 4.021) [0.1727, 0.5334, 0.198]\n", + " PeriodicSite: Li (6.613, 10.42, 12.92) [0.3255, 0.5132, 0.636]\n", + " PeriodicSite: Li (10.85, 0.6354, 7.749) [0.5343, 0.03128, 0.3815]\n", + " PeriodicSite: Li (10.4, 1.524, 18.78) [0.5118, 0.07501, 0.9245]\n", + " PeriodicSite: Li (13.65, 15.54, 8.469) [0.6718, 0.765, 0.417]\n", + " PeriodicSite: Li (12.04, 9.463, 1.114) [0.5927, 0.4659, 0.05485]\n", + " PeriodicSite: Li (0.5451, 5.171, 7.366) [0.02684, 0.2546, 0.3626]\n", + " PeriodicSite: Li (20.14, 2.715, 17.16) [0.9914, 0.1336, 0.8447]\n", + " PeriodicSite: Li (2.255, 14.2, 5.677) [0.111, 0.6989, 0.2795]\n", + " PeriodicSite: Li (3.217, 14.72, 18.36) [0.1584, 0.7247, 0.9037]\n", + " PeriodicSite: Li (13.06, 0.77, 5.924) [0.6427, 0.0379, 0.2916]\n", + " PeriodicSite: Li (15.1, 2.334, 15.99) [0.7434, 0.1149, 0.7871]\n", + " PeriodicSite: Li (11.54, 12.18, 9.107) [0.5683, 0.5995, 0.4483]\n", + " PeriodicSite: Li (17.06, 16.99, 0.203) [0.8399, 0.8365, 0.01]\n", + " PeriodicSite: Li (3.313, 1.748, 4.819) [0.1631, 0.08604, 0.2372]\n", + " PeriodicSite: Li (0.5992, 17.57, 3.268) [0.02949, 0.8651, 0.1609]\n", + " PeriodicSite: Li (3.135, 14.91, 8.656) [0.1543, 0.7342, 0.4262]\n", + " PeriodicSite: Li (0.2826, 17.55, 13.47) [0.01391, 0.8642, 0.6632]\n", + " PeriodicSite: Li (14.06, 4.826, 7.965) [0.6923, 0.2376, 0.3921]\n", + " PeriodicSite: Li (14.1, 6.436, 18.97) [0.6942, 0.3168, 0.934]\n", + " PeriodicSite: Li (16.98, 15.78, 8.225) [0.8359, 0.777, 0.4049]\n", + " PeriodicSite: Li (10.52, 11.6, 17.96) [0.5181, 0.5713, 0.8841]\n", + " PeriodicSite: Li (0.7227, 2.729, 5.892) [0.03558, 0.1343, 0.2901]\n", + " PeriodicSite: Li (1.936, 0.4066, 18.47) [0.09532, 0.02002, 0.9094]\n", + " PeriodicSite: Li (2.338, 10.54, 6.493) [0.1151, 0.5189, 0.3197]\n", + " PeriodicSite: Li (18.11, 15.29, 2.945) [0.8916, 0.7527, 0.145]\n", + " PeriodicSite: Li (10.36, 3.354, 6.904) [0.5099, 0.1651, 0.3399]\n", + " PeriodicSite: Li (16.93, 0.4443, 13.95) [0.8334, 0.02187, 0.6867]\n", + " PeriodicSite: Li (13.66, 10.43, 6.667) [0.6723, 0.5135, 0.3282]\n", + " PeriodicSite: Li (13.71, 10.44, 17.12) [0.6751, 0.5141, 0.8427]\n", + " PeriodicSite: Li (3.375, 12.23, 15.66) [0.1661, 0.6021, 0.7711]\n", + " PeriodicSite: Li (2.118, 11.43, 9.679) [0.1042, 0.5629, 0.4765]\n", + " PeriodicSite: Li (3.107, 18.0, 4.827) [0.153, 0.8862, 0.2376]\n", + " PeriodicSite: Li (1.392, 1.826, 9.297) [0.06855, 0.08992, 0.4577]\n", + " PeriodicSite: Li (13.33, 5.924, 1.303) [0.6562, 0.2917, 0.06414]\n", + " PeriodicSite: Li (12.2, 6.982, 14.62) [0.6005, 0.3437, 0.7198]\n", + " PeriodicSite: Li (11.8, 13.26, 5.219) [0.5809, 0.6526, 0.2569]\n", + " PeriodicSite: Li (13.66, 18.21, 14.86) [0.6725, 0.8965, 0.7315]\n", + " PeriodicSite: Li (3.661, 5.325, 1.929) [0.1802, 0.2622, 0.09496]\n", + " PeriodicSite: Li (3.182, 4.916, 11.76) [0.1566, 0.242, 0.5788]\n", + " PeriodicSite: Li (6.474, 15.31, 18.54) [0.3187, 0.7538, 0.9127]\n", + " PeriodicSite: Li (2.65, 18.92, 14.97) [0.1305, 0.9316, 0.7372]\n", + " PeriodicSite: Li (13.71, 3.132, 19.82) [0.6752, 0.1542, 0.9756]\n", + " PeriodicSite: Li (10.84, 6.3, 12.51) [0.5337, 0.3101, 0.6158]\n", + " PeriodicSite: Li (10.4, 17.3, 3.292) [0.5119, 0.8518, 0.1621]\n", + " PeriodicSite: Li (10.33, 16.93, 13.29) [0.5087, 0.8335, 0.6542]\n", + " PeriodicSite: Li (3.689, 10.08, 17.52) [0.1816, 0.4962, 0.8625]\n", + " PeriodicSite: Li (4.801, 7.364, 11.29) [0.2364, 0.3625, 0.5557]\n", + " PeriodicSite: Li (4.918, 18.23, 2.856) [0.2421, 0.8975, 0.1406]\n", + " PeriodicSite: Li (1.091, 18.1, 10.6) [0.05372, 0.8913, 0.522]\n", + " PeriodicSite: Li (10.77, 6.819, 2.823) [0.5302, 0.3357, 0.139]\n", + " PeriodicSite: Li (15.03, 7.082, 11.77) [0.7399, 0.3486, 0.5797]\n", + " PeriodicSite: Li (11.75, 20.27, 1.615) [0.5784, 0.9978, 0.07951]\n", + " PeriodicSite: Li (13.29, 15.38, 11.98) [0.6541, 0.7571, 0.5897]\n", + " PeriodicSite: Li (1.882, 8.787, 1.41) [0.09263, 0.4326, 0.06944]\n", + " PeriodicSite: Li (17.97, 5.582, 7.101) [0.8849, 0.2748, 0.3496]\n", + " PeriodicSite: Li (2.786, 20.04, 2.926) [0.1371, 0.9868, 0.144]\n", + " PeriodicSite: Li (1.874, 20.29, 12.38) [0.09224, 0.9988, 0.6095]\n", + " PeriodicSite: Li (9.923, 6.904, 6.57) [0.4885, 0.3399, 0.3235]\n", + " PeriodicSite: Li (12.39, 12.61, 15.41) [0.61, 0.6206, 0.7585]\n", + " PeriodicSite: Li (14.47, 16.86, 1.938) [0.7126, 0.83, 0.09542]\n", + " PeriodicSite: Li (10.7, 16.32, 16.97) [0.527, 0.8036, 0.8353]\n", + " PeriodicSite: Li (7.628, 9.851, 6.472) [0.3755, 0.485, 0.3186]\n", + " PeriodicSite: Li (20.3, 12.69, 12.24) [0.9994, 0.6248, 0.6025]\n", + " PeriodicSite: Li (20.01, 17.09, 7.05) [0.9851, 0.8413, 0.3471]\n", + " PeriodicSite: Li (4.911, 18.61, 16.92) [0.2418, 0.9163, 0.833]\n", + " PeriodicSite: Li (16.36, 10.54, 3.028) [0.8052, 0.5187, 0.1491]\n", + " PeriodicSite: Li (12.97, 6.929, 10.18) [0.6385, 0.3411, 0.5013]\n", + " PeriodicSite: Li (13.03, 14.74, 0.2264) [0.6414, 0.7259, 0.01115]\n", + " PeriodicSite: Li (11.59, 18.35, 10.57) [0.5706, 0.9035, 0.5202]\n", + " PeriodicSite: Li (4.734, 3.948, 18.56) [0.233, 0.1944, 0.9137]\n", + " PeriodicSite: Li (3.01, 9.683, 13.39) [0.1482, 0.4767, 0.659]\n", + " PeriodicSite: Li (6.468, 0.3518, 2.913) [0.3184, 0.01732, 0.1434]\n", + " PeriodicSite: Li (2.132, 15.41, 13.12) [0.1049, 0.7586, 0.646]\n", + " PeriodicSite: Li (13.79, 9.762, 3.84) [0.6791, 0.4806, 0.189]\n", + " PeriodicSite: Li (14.42, 9.447, 13.11) [0.7101, 0.4651, 0.6455]\n", + " PeriodicSite: Li (12.7, 17.51, 4.721) [0.6252, 0.8622, 0.2324]\n", + " PeriodicSite: Li (17.94, 4.359, 14.12) [0.883, 0.2146, 0.6952]\n", + " PeriodicSite: Li (7.833, 2.79, 0.1627) [0.3856, 0.1374, 0.008013]\n", + " PeriodicSite: Li (9.038, 4.314, 12.97) [0.445, 0.2124, 0.6384]\n", + " PeriodicSite: Li (7.985, 12.84, 4.784) [0.3931, 0.6319, 0.2355]\n", + " PeriodicSite: Li (6.622, 12.33, 14.86) [0.326, 0.607, 0.7316]\n", + " PeriodicSite: Li (18.29, 4.031, 3.912) [0.9005, 0.1984, 0.1926]\n", + " PeriodicSite: Li (12.55, 2.757, 9.741) [0.6176, 0.1357, 0.4796]\n", + " PeriodicSite: Li (20.21, 13.64, 3.086) [0.995, 0.6714, 0.1519]\n", + " PeriodicSite: Li (17.35, 10.73, 13.38) [0.8542, 0.5284, 0.6586]\n", + " PeriodicSite: Li (6.274, 18.37, 6.112) [0.3089, 0.9044, 0.3009]\n", + " PeriodicSite: Li (7.939, 2.577, 14.91) [0.3909, 0.1269, 0.7339]\n", + " PeriodicSite: Li (4.346, 12.57, 19.66) [0.214, 0.619, 0.9677]\n", + " PeriodicSite: Li (9.804, 13.28, 12.64) [0.4826, 0.654, 0.6224]\n", + " PeriodicSite: Li (14.27, 19.63, 3.196) [0.7024, 0.9666, 0.1573]\n", + " PeriodicSite: Li (18.48, 1.327, 10.29) [0.9096, 0.06532, 0.5068]\n", + " PeriodicSite: Li (17.31, 13.49, 0.3625) [0.8522, 0.664, 0.01785]\n", + " PeriodicSite: Li (17.3, 14.98, 11.7) [0.8519, 0.7376, 0.5761]\n", + " PeriodicSite: Li (9.876, 2.739, 3.657) [0.4862, 0.1349, 0.1801]\n", + " PeriodicSite: Li (9.203, 1.054, 12.53) [0.4531, 0.05189, 0.6166]\n", + " PeriodicSite: Li (8.334, 14.93, 3.263) [0.4103, 0.7352, 0.1606]\n", + " PeriodicSite: Li (5.08, 13.17, 10.57) [0.2501, 0.6483, 0.5202]\n", + " PeriodicSite: Li (20.15, 2.028, 1.813) [0.9919, 0.09985, 0.08925]\n", + " PeriodicSite: Li (0.1504, 6.91, 13.44) [0.007403, 0.3402, 0.6615]\n", + " PeriodicSite: Li (15.63, 13.9, 2.383) [0.7695, 0.6845, 0.1173]\n", + " PeriodicSite: Li (16.11, 12.54, 14.63) [0.7929, 0.6172, 0.7204]\n", + " PeriodicSite: Li (3.244, 0.05694, 7.055) [0.1597, 0.002802, 0.3473]\n", + " PeriodicSite: Li (7.166, 19.35, 15.12) [0.3528, 0.9527, 0.7445]\n", + " PeriodicSite: Li (5.025, 13.05, 2.098) [0.2474, 0.6427, 0.1033]\n", + " PeriodicSite: Li (9.078, 7.353, 15.51) [0.4469, 0.362, 0.7636]\n", + " PeriodicSite: Li (17.4, 3.567, 0.3466) [0.8567, 0.1756, 0.01707]\n", + " PeriodicSite: Li (15.11, 17.37, 11.73) [0.744, 0.855, 0.5774]\n", + " PeriodicSite: Li (15.09, 13.38, 18.46) [0.743, 0.6589, 0.9089]\n", + " PeriodicSite: Li (18.47, 11.82, 10.85) [0.9095, 0.582, 0.534]\n", + " PeriodicSite: Li (8.236, 8.35, 20.31) [0.4055, 0.4111, 0.9999]\n", + " PeriodicSite: Li (5.369, 1.432, 13.08) [0.2643, 0.07052, 0.6441]\n", + " PeriodicSite: Li (9.441, 11.78, 2.101) [0.4648, 0.5801, 0.1034]\n", + " PeriodicSite: Li (7.936, 12.08, 10.24) [0.3907, 0.5948, 0.5044]\n", + " PeriodicSite: Li (15.33, 3.194, 1.841) [0.755, 0.1573, 0.09066]\n", + " PeriodicSite: Li (15.37, 3.644, 11.12) [0.7566, 0.1794, 0.5473]\n", + " PeriodicSite: Li (0.2023, 11.85, 19.1) [0.009959, 0.5832, 0.9402]\n", + " PeriodicSite: Li (18.1, 15.07, 14.46) [0.8911, 0.7419, 0.7121]\n", + " PeriodicSite: Li (5.457, 3.05, 2.507) [0.2687, 0.1502, 0.1234]\n", + " PeriodicSite: Li (6.223, 2.83, 10.47) [0.3064, 0.1393, 0.5152]\n", + " PeriodicSite: Li (6.768, 15.13, 1.226) [0.3332, 0.745, 0.06035]\n", + " PeriodicSite: Li (4.294, 17.25, 11.01) [0.2114, 0.8491, 0.5423]\n", + " PeriodicSite: Li (17.74, 0.5214, 0.8557) [0.8735, 0.02566, 0.04213]\n", + " PeriodicSite: Li (2.426, 5.584, 15.02) [0.1195, 0.2749, 0.7395]\n", + " PeriodicSite: Li (4.672, 12.18, 6.911) [0.23, 0.5996, 0.3402]\n", + " PeriodicSite: Li (14.97, 13.25, 10.34) [0.737, 0.6525, 0.5092]\n", + " PeriodicSite: Li (17.87, 12.25, 4.921) [0.8798, 0.6033, 0.2423]\n", + " PeriodicSite: Li (5.204, 8.022, 15.34) [0.2562, 0.3949, 0.7554]\n", + " PeriodicSite: Li (6.233, 15.09, 12.36) [0.3069, 0.7428, 0.6086]\n", + " PeriodicSite: Li (2.83, 18.3, 0.2692) [0.1393, 0.9007, 0.01326]\n", + " PeriodicSite: Li (17.01, 10.13, 7.487) [0.8376, 0.4986, 0.3686]\n", + " PeriodicSite: Li (2.012, 4.525, 18.48) [0.09907, 0.2228, 0.9098]\n", + " PeriodicSite: Li (15.59, 1.965, 4.204) [0.7674, 0.09674, 0.207]\n", + " PeriodicSite: Li (17.72, 20.28, 17.78) [0.8726, 0.9985, 0.8752]\n", + " PeriodicSite: Li (4.924, 8.119, 7.077) [0.2424, 0.3997, 0.3484]\n", + " PeriodicSite: Li (7.74, 5.266, 18.0) [0.381, 0.2592, 0.8863]\n", + " PeriodicSite: Li (7.852, 18.84, 9.82) [0.3865, 0.9276, 0.4834]\n", + " PeriodicSite: Li (7.548, 15.72, 15.75) [0.3716, 0.7739, 0.7753]\n", + " PeriodicSite: Li (17.48, 6.317, 9.802) [0.8604, 0.311, 0.4826]\n", + " PeriodicSite: Li (19.01, 8.24, 0.1576) [0.9357, 0.4056, 0.007763]\n", + " PeriodicSite: Li (17.26, 20.11, 7.403) [0.8496, 0.9901, 0.3645]\n", + " PeriodicSite: Li (19.54, 16.27, 17.72) [0.9622, 0.8008, 0.8721]\n", + " PeriodicSite: Li (6.636, 5.478, 8.837) [0.3267, 0.2697, 0.4351]\n", + " PeriodicSite: Li (2.86, 1.856, 15.49) [0.1408, 0.09139, 0.7624]\n", + " PeriodicSite: Li (7.458, 15.68, 9.373) [0.3672, 0.7718, 0.4615]\n", + " PeriodicSite: Li (17.16, 10.26, 16.96) [0.845, 0.5052, 0.8348]\n", + " PeriodicSite: Li (20.22, 8.225, 8.714) [0.9953, 0.4049, 0.429]\n", + " PeriodicSite: Li (16.78, 5.717, 18.58) [0.8262, 0.2815, 0.9146]\n", + " PeriodicSite: Li (15.64, 17.97, 8.566) [0.7698, 0.8847, 0.4217]\n", + " PeriodicSite: Li (15.62, 16.11, 18.53) [0.7692, 0.793, 0.9124]\n", + " PeriodicSite: Li (8.474, 8.346, 9.81) [0.4172, 0.4109, 0.483]\n", + " PeriodicSite: Li (6.909, 5.101, 1.789) [0.3401, 0.2511, 0.08808]\n", + " PeriodicSite: Li (5.216, 16.94, 8.124) [0.2568, 0.8339, 0.3999]\n", + " PeriodicSite: Li (7.422, 12.45, 0.2015) [0.3654, 0.6131, 0.009921]\n", + " PeriodicSite: Li (15.62, 7.133, 8.043) [0.7688, 0.3512, 0.396]\n", + " PeriodicSite: Li (20.05, 6.968, 17.29) [0.9872, 0.343, 0.8512]\n", + " PeriodicSite: Li (16.34, 18.28, 5.859) [0.8044, 0.9001, 0.2884]\n", + " PeriodicSite: Li (16.25, 18.18, 15.97) [0.8002, 0.8952, 0.7864]\n", + " PeriodicSite: Li (6.458, 4.746, 12.22) [0.3179, 0.2337, 0.6017]\n", + " PeriodicSite: Li (5.723, 7.054, 19.64) [0.2817, 0.3473, 0.9668]\n", + " PeriodicSite: Li (9.823, 18.19, 7.844) [0.4836, 0.8953, 0.3862]\n", + " PeriodicSite: Li (11.75, 18.12, 20.3) [0.5785, 0.8918, 0.9996]\n", + " PeriodicSite: Li (16.23, 8.135, 5.057) [0.7991, 0.4005, 0.249]\n", + " PeriodicSite: Li (16.07, 6.589, 1.819) [0.7913, 0.3244, 0.08957]\n", + " PeriodicSite: Li (18.13, 18.17, 9.926) [0.8927, 0.8943, 0.4887]\n", + " PeriodicSite: Li (17.38, 0.2827, 3.88) [0.8554, 0.01391, 0.191]\n", + " PeriodicSite: Li (6.45, 10.64, 3.34) [0.3176, 0.5239, 0.1644]\n", + " PeriodicSite: Li (10.09, 8.421, 17.79) [0.4968, 0.4146, 0.8758]\n", + " PeriodicSite: Li (8.321, 15.57, 6.753) [0.4097, 0.7663, 0.3325]\n", + " PeriodicSite: Li (4.938, 1.02, 17.36) [0.2431, 0.0502, 0.8547]\n", + " PeriodicSite: Li (18.94, 7.512, 5.588) [0.9322, 0.3698, 0.2751]\n", + " PeriodicSite: Li (19.48, 11.04, 2.273) [0.9588, 0.5434, 0.1119]\n", + " PeriodicSite: Li (2.848, 15.63, 1.45) [0.1402, 0.7694, 0.07141]\n", + " PeriodicSite: Li (13.41, 0.661, 14.3) [0.66, 0.03253, 0.7043]\n", + " PeriodicSite: Cl (7.445, 12.59, 12.41) [0.3665, 0.6199, 0.6112]\n", + " PeriodicSite: Cl (2.807, 12.33, 17.95) [0.1382, 0.6068, 0.8837]\n", + " PeriodicSite: Cl (12.71, 17.64, 12.4) [0.6259, 0.8682, 0.6104]\n", + " PeriodicSite: Cl (17.67, 7.466, 17.32) [0.8701, 0.3675, 0.8527]\n", + " PeriodicSite: Cl (7.862, 2.243, 2.584) [0.3871, 0.1104, 0.1272]\n", + " PeriodicSite: Cl (7.647, 7.603, 7.64) [0.3765, 0.3743, 0.3761]\n", + " PeriodicSite: Cl (13.08, 12.76, 7.248) [0.644, 0.6283, 0.3568]\n", + " PeriodicSite: Cl (2.752, 7.355, 3.074) [0.1355, 0.3621, 0.1514]\n", + " PeriodicSite: Cl (2.7, 7.283, 12.97) [0.1329, 0.3586, 0.6385]\n", + " PeriodicSite: Cl (12.87, 12.84, 17.8) [0.6334, 0.6323, 0.8766]\n", + " PeriodicSite: Cl (17.4, 17.77, 18.06) [0.8565, 0.8748, 0.8893]\n", + " PeriodicSite: Cl (2.457, 2.342, 7.425) [0.1209, 0.1153, 0.3655]\n", + " PeriodicSite: Cl (12.49, 2.439, 17.72) [0.6151, 0.1201, 0.8725]\n", + " PeriodicSite: Cl (12.88, 7.799, 2.685) [0.6343, 0.384, 0.1322]\n", + " PeriodicSite: Cl (17.67, 2.711, 12.66) [0.87, 0.1335, 0.6234]\n", + " PeriodicSite: Cl (7.293, 17.54, 17.63) [0.359, 0.8633, 0.8678]\n", + " PeriodicSite: Cl (19.8, 0.4965, 19.92) [0.975, 0.02444, 0.9809]\n", + " PeriodicSite: Cl (20.27, 20.29, 10.48) [0.9981, 0.9987, 0.5157]\n", + " PeriodicSite: Cl (20.25, 10.21, 0.4702) [0.9968, 0.5027, 0.02315]\n", + " PeriodicSite: Cl (0.283, 10.72, 10.7) [0.01393, 0.5277, 0.5265]\n", + " PeriodicSite: Cl (10.26, 19.9, 19.9) [0.505, 0.9796, 0.9795]\n", + " PeriodicSite: Cl (9.912, 19.84, 9.795) [0.488, 0.977, 0.4822]\n", + " PeriodicSite: Cl (9.989, 9.936, 20.1) [0.4918, 0.4891, 0.9894]\n", + " PeriodicSite: Cl (9.888, 10.51, 9.953) [0.4868, 0.5174, 0.49]\n", + " PeriodicSite: Cl (20.01, 5.204, 5.253) [0.9851, 0.2562, 0.2586]\n", + " PeriodicSite: Cl (0.21, 5.292, 15.24) [0.01034, 0.2605, 0.7504]\n", + " PeriodicSite: Cl (0.2265, 15.65, 4.775) [0.01114, 0.7707, 0.2351]\n", + " PeriodicSite: Cl (0.08326, 15.37, 15.26) [0.004096, 0.7565, 0.7512]\n", + " PeriodicSite: Cl (10.17, 5.02, 5.02) [0.5007, 0.2471, 0.2472]\n", + " PeriodicSite: Cl (10.34, 5.4, 14.68) [0.5089, 0.2659, 0.7228]\n", + " PeriodicSite: Cl (9.876, 15.37, 4.951) [0.4862, 0.7564, 0.2437]\n", + " PeriodicSite: Cl (9.597, 15.21, 14.91) [0.4725, 0.7489, 0.7339]\n", + " PeriodicSite: S (4.71, 20.3, 5.095) [0.2319, 0.9995, 0.2508]\n", + " PeriodicSite: S (4.627, 20.25, 15.1) [0.2278, 0.9971, 0.7433]\n", + " PeriodicSite: S (4.983, 10.25, 5.473) [0.2453, 0.5048, 0.2695]\n", + " PeriodicSite: S (5.158, 10.24, 15.47) [0.254, 0.5041, 0.7618]\n", + " PeriodicSite: S (15.27, 0.05932, 5.264) [0.7516, 0.002914, 0.2591]\n", + " PeriodicSite: S (15.26, 20.14, 15.49) [0.7511, 0.9913, 0.7624]\n", + " PeriodicSite: S (15.56, 10.27, 5.232) [0.7662, 0.5058, 0.2576]\n", + " PeriodicSite: S (15.4, 10.25, 15.28) [0.7581, 0.5044, 0.7522]\n", + " PeriodicSite: S (5.208, 4.786, 0.3695) [0.2564, 0.2356, 0.01819]\n", + " PeriodicSite: S (4.961, 5.113, 10.47) [0.2442, 0.2517, 0.5154]\n", + " PeriodicSite: S (4.89, 14.97, 20.13) [0.2407, 0.7371, 0.9909]\n", + " PeriodicSite: S (5.142, 15.35, 10.22) [0.2531, 0.7559, 0.5032]\n", + " PeriodicSite: S (15.43, 4.979, 0.1702) [0.7599, 0.2451, 0.008382]\n", + " PeriodicSite: S (15.08, 5.436, 9.865) [0.7423, 0.2676, 0.4857]\n", + " PeriodicSite: S (15.53, 15.09, 0.2048) [0.7646, 0.7429, 0.01009]\n", + " PeriodicSite: S (15.25, 15.6, 10.15) [0.7508, 0.768, 0.4997]\n", + " PeriodicSite: S (8.813, 3.921, 8.631) [0.4339, 0.1931, 0.4249]\n", + " PeriodicSite: S (9.389, 3.869, 19.04) [0.4623, 0.1905, 0.9374]\n", + " PeriodicSite: S (9.161, 14.1, 8.818) [0.451, 0.6944, 0.4341]\n", + " PeriodicSite: S (8.552, 13.96, 19.18) [0.421, 0.6871, 0.9445]\n", + " PeriodicSite: S (19.08, 4.166, 9.021) [0.9391, 0.2051, 0.4441]\n", + " PeriodicSite: S (19.29, 4.115, 18.9) [0.9495, 0.2026, 0.9304]\n", + " PeriodicSite: S (19.1, 14.03, 9.136) [0.9403, 0.6907, 0.4498]\n", + " PeriodicSite: S (19.28, 13.9, 19.25) [0.9491, 0.6845, 0.9476]\n", + " PeriodicSite: S (4.129, 1.105, 1.362) [0.2033, 0.0544, 0.06704]\n", + " PeriodicSite: S (3.342, 1.336, 11.0) [0.1645, 0.06578, 0.5415]\n", + " PeriodicSite: S (3.759, 10.9, 1.411) [0.185, 0.5368, 0.06946]\n", + " PeriodicSite: S (4.286, 10.98, 11.57) [0.211, 0.5406, 0.5698]\n", + " PeriodicSite: S (13.76, 1.147, 1.41) [0.6774, 0.05645, 0.06942]\n", + " PeriodicSite: S (14.21, 1.604, 11.49) [0.6996, 0.07897, 0.5655]\n", + " PeriodicSite: S (14.27, 11.3, 1.64) [0.7023, 0.5564, 0.08073]\n", + " PeriodicSite: S (13.78, 11.2, 11.27) [0.6785, 0.5516, 0.5549]\n", + " PeriodicSite: S (6.108, 0.9548, 8.97) [0.3007, 0.047, 0.4416]\n", + " PeriodicSite: S (6.293, 1.54, 19.15) [0.3098, 0.07581, 0.9427]\n", + " PeriodicSite: S (6.148, 11.56, 8.771) [0.3027, 0.5689, 0.4318]\n", + " PeriodicSite: S (6.023, 10.8, 19.13) [0.2965, 0.5317, 0.9417]\n", + " PeriodicSite: S (16.49, 1.777, 9.009) [0.8116, 0.08749, 0.4435]\n", + " PeriodicSite: S (16.04, 1.296, 19.43) [0.7896, 0.06378, 0.9566]\n", + " PeriodicSite: S (16.61, 11.66, 9.536) [0.8176, 0.5738, 0.4695]\n", + " PeriodicSite: S (16.53, 11.46, 19.26) [0.8139, 0.5641, 0.9483]\n", + " PeriodicSite: S (1.234, 3.942, 0.9458) [0.06075, 0.1941, 0.04657]\n", + " PeriodicSite: S (1.251, 3.572, 11.33) [0.06159, 0.1758, 0.5576]\n", + " PeriodicSite: S (1.565, 13.74, 1.064) [0.07705, 0.6764, 0.05241]\n", + " PeriodicSite: S (1.496, 14.09, 11.05) [0.07364, 0.6937, 0.544]\n", + " PeriodicSite: S (11.58, 4.108, 1.384) [0.5703, 0.2022, 0.06816]\n", + " PeriodicSite: S (11.05, 4.262, 11.27) [0.5441, 0.2098, 0.5547]\n", + " PeriodicSite: S (10.96, 13.57, 1.128) [0.5394, 0.6681, 0.05552]\n", + " PeriodicSite: S (11.42, 13.96, 11.22) [0.5624, 0.6872, 0.5526]\n", + " PeriodicSite: S (2.542, 2.417, 17.78) [0.1252, 0.119, 0.8753]\n", + " PeriodicSite: S (2.578, 12.69, 7.637) [0.1269, 0.6249, 0.376]\n", + " PeriodicSite: S (12.68, 2.729, 7.378) [0.624, 0.1344, 0.3632]\n", + " PeriodicSite: S (8.865, 8.822, 4.224) [0.4364, 0.4343, 0.208]\n", + " PeriodicSite: S (8.746, 9.129, 13.81) [0.4306, 0.4495, 0.6798]\n", + " PeriodicSite: S (8.677, 19.33, 3.85) [0.4272, 0.9515, 0.1895]\n", + " PeriodicSite: S (9.367, 19.04, 13.83) [0.4611, 0.9375, 0.6811]\n", + " PeriodicSite: S (18.83, 9.182, 3.875) [0.9269, 0.452, 0.1908]\n", + " PeriodicSite: S (19.27, 9.041, 14.04) [0.9485, 0.4451, 0.6912]\n", + " PeriodicSite: S (19.22, 19.11, 3.489) [0.9461, 0.9409, 0.1718]\n", + " PeriodicSite: S (18.64, 19.02, 14.18) [0.9179, 0.9363, 0.6983]\n", + " PeriodicSite: S (3.561, 6.089, 6.594) [0.1753, 0.2998, 0.3247]\n", + " PeriodicSite: S (4.123, 6.092, 16.69) [0.203, 0.2999, 0.8218]\n", + " PeriodicSite: S (4.039, 16.1, 6.224) [0.1988, 0.7924, 0.3064]\n", + " PeriodicSite: S (3.421, 16.42, 16.53) [0.1684, 0.8085, 0.8139]\n", + " PeriodicSite: S (14.08, 6.248, 5.95) [0.6932, 0.3076, 0.2929]\n", + " PeriodicSite: S (14.02, 6.336, 16.4) [0.6902, 0.3119, 0.8071]\n", + " PeriodicSite: S (14.34, 16.71, 6.337) [0.7059, 0.8226, 0.312]\n", + " PeriodicSite: S (13.93, 16.71, 16.54) [0.686, 0.8227, 0.8141]\n", + " PeriodicSite: S (6.263, 6.156, 4.56) [0.3083, 0.3031, 0.2245]\n", + " PeriodicSite: S (6.355, 6.106, 14.3) [0.3129, 0.3006, 0.704]\n", + " PeriodicSite: S (6.317, 16.31, 3.849) [0.311, 0.8029, 0.1895]\n", + " PeriodicSite: S (5.987, 16.68, 14.42) [0.2948, 0.8213, 0.7098]\n", + " PeriodicSite: S (16.81, 6.166, 3.933) [0.8277, 0.3035, 0.1936]\n", + " PeriodicSite: S (16.31, 5.905, 13.83) [0.8028, 0.2907, 0.6811]\n", + " PeriodicSite: S (16.33, 16.51, 3.934) [0.8037, 0.8127, 0.1937]\n", + " PeriodicSite: S (16.38, 16.56, 14.25) [0.8066, 0.8153, 0.7017]\n", + " PeriodicSite: S (0.7649, 8.752, 6.235) [0.03765, 0.4309, 0.3069]\n", + " PeriodicSite: S (1.173, 8.977, 16.43) [0.05777, 0.4419, 0.8091]\n", + " PeriodicSite: S (1.082, 18.98, 5.986) [0.05326, 0.9346, 0.2947]\n", + " PeriodicSite: S (0.7968, 19.21, 16.47) [0.03922, 0.9458, 0.8107]\n", + " PeriodicSite: S (11.54, 9.095, 6.239) [0.5683, 0.4477, 0.3072]\n", + " PeriodicSite: S (11.18, 9.067, 16.01) [0.5506, 0.4464, 0.7882]\n", + " PeriodicSite: S (11.12, 18.88, 6.258) [0.5473, 0.9295, 0.3081]\n", + " PeriodicSite: S (11.57, 18.86, 16.23) [0.5697, 0.9284, 0.7988]\n", + " PeriodicSite: S (2.902, 17.75, 2.51) [0.1429, 0.8737, 0.1236]\n", + " PeriodicSite: S (2.529, 17.95, 12.63) [0.1245, 0.8836, 0.6216]\n", + " PeriodicSite: S (12.84, 7.729, 12.51) [0.632, 0.3805, 0.6158]\n", + " PeriodicSite: S (12.53, 18.06, 2.408) [0.617, 0.8892, 0.1186]\n", + " PeriodicSite: S (3.792, 3.986, 3.89) [0.1867, 0.1962, 0.1915]\n", + " PeriodicSite: S (3.936, 3.627, 14.21) [0.1938, 0.1785, 0.6993]\n", + " PeriodicSite: S (3.937, 13.68, 3.998) [0.1938, 0.6733, 0.1968]\n", + " PeriodicSite: S (3.805, 14.06, 14.09) [0.1873, 0.6924, 0.6939]\n", + " PeriodicSite: S (14.3, 3.969, 3.653) [0.7039, 0.1954, 0.1798]\n", + " PeriodicSite: S (13.91, 3.835, 14.28) [0.6849, 0.1888, 0.7032]\n", + " PeriodicSite: S (14.02, 14.22, 3.938) [0.69, 0.7001, 0.1939]\n", + " PeriodicSite: S (14.3, 14.04, 14.12) [0.7042, 0.691, 0.6951]\n", + " PeriodicSite: S (9.093, 1.256, 6.235) [0.4476, 0.06181, 0.307]\n", + " PeriodicSite: S (8.87, 0.5294, 16.64) [0.4367, 0.02606, 0.819]\n", + " PeriodicSite: S (9.593, 11.77, 6.062) [0.4722, 0.5795, 0.2985]\n", + " PeriodicSite: S (8.993, 11.57, 15.95) [0.4427, 0.5694, 0.7853]\n", + " PeriodicSite: S (19.05, 1.09, 5.888) [0.9377, 0.05368, 0.2899]\n", + " PeriodicSite: S (18.6, 1.34, 16.05) [0.9157, 0.06596, 0.7902]\n", + " PeriodicSite: S (19.26, 11.42, 6.448) [0.9481, 0.5624, 0.3174]\n", + " PeriodicSite: S (19.33, 11.39, 16.73) [0.9518, 0.5605, 0.8234]\n", + " PeriodicSite: S (1.203, 1.474, 3.645) [0.05922, 0.07254, 0.1795]\n", + " PeriodicSite: S (0.9318, 1.253, 14.07) [0.04588, 0.0617, 0.6927]\n", + " PeriodicSite: S (1.099, 11.42, 4.014) [0.05411, 0.5623, 0.1976]\n", + " PeriodicSite: S (1.219, 11.4, 14.08) [0.06002, 0.5615, 0.6932]\n", + " PeriodicSite: S (11.56, 0.7478, 3.898) [0.5693, 0.03681, 0.1919]\n", + " PeriodicSite: S (11.2, 1.379, 14.09) [0.5512, 0.06788, 0.6935]\n", + " PeriodicSite: S (11.53, 10.99, 3.398) [0.5674, 0.5409, 0.1673]\n", + " PeriodicSite: S (11.48, 11.31, 13.61) [0.565, 0.5566, 0.6701]\n", + " PeriodicSite: S (5.688, 3.534, 6.659) [0.28, 0.174, 0.3278]\n", + " PeriodicSite: S (6.29, 3.589, 16.63) [0.3097, 0.1767, 0.8188]\n", + " PeriodicSite: S (6.432, 13.92, 6.224) [0.3167, 0.6852, 0.3064]\n", + " PeriodicSite: S (5.8, 14.01, 16.51) [0.2856, 0.6898, 0.8129]\n", + " PeriodicSite: S (16.27, 3.9, 6.335) [0.8012, 0.192, 0.3119]\n", + " PeriodicSite: S (16.46, 4.118, 16.5) [0.8102, 0.2027, 0.8125]\n", + " PeriodicSite: S (16.57, 14.23, 6.428) [0.8159, 0.7003, 0.3165]\n", + " PeriodicSite: S (16.33, 14.19, 16.65) [0.8042, 0.6987, 0.8199]\n", + " PeriodicSite: S (7.543, 2.576, 12.56) [0.3713, 0.1268, 0.6184]\n", + " PeriodicSite: S (7.55, 12.67, 2.524) [0.3717, 0.6238, 0.1243]\n", + " PeriodicSite: S (17.54, 2.325, 2.483) [0.8635, 0.1145, 0.1222]\n", + " PeriodicSite: S (17.87, 12.82, 2.547) [0.8795, 0.6311, 0.1254]\n", + " PeriodicSite: S (17.99, 13.02, 13.12) [0.8855, 0.641, 0.6458]\n", + " PeriodicSite: S (4.059, 8.772, 9.097) [0.1998, 0.4318, 0.4479]\n", + " PeriodicSite: S (3.585, 8.536, 19.64) [0.1765, 0.4203, 0.9667]\n", + " PeriodicSite: S (3.733, 18.9, 9.107) [0.1838, 0.9306, 0.4483]\n", + " PeriodicSite: S (4.325, 19.35, 19.08) [0.2129, 0.9525, 0.9395]\n", + " PeriodicSite: S (14.36, 9.19, 8.95) [0.7068, 0.4524, 0.4406]\n", + " PeriodicSite: S (13.95, 9.173, 19.38) [0.6868, 0.4516, 0.9543]\n", + " PeriodicSite: S (13.97, 19.9, 8.632) [0.6879, 0.9797, 0.425]\n", + " PeriodicSite: S (13.83, 18.92, 19.08) [0.681, 0.9313, 0.9396]\n", + " PeriodicSite: S (8.959, 5.979, 1.1) [0.4411, 0.2943, 0.05415]\n", + " PeriodicSite: S (8.432, 6.178, 11.38) [0.4151, 0.3041, 0.5604]\n", + " PeriodicSite: S (8.842, 16.27, 1.282) [0.4353, 0.8009, 0.06312]\n", + " PeriodicSite: S (8.973, 16.44, 11.25) [0.4418, 0.8092, 0.5538]\n", + " PeriodicSite: S (18.94, 6.139, 1.486) [0.9323, 0.3022, 0.07316]\n", + " PeriodicSite: S (19.34, 5.858, 11.85) [0.9523, 0.2884, 0.5832]\n", + " PeriodicSite: S (19.46, 16.28, 1.314) [0.958, 0.8015, 0.06471]\n", + " PeriodicSite: S (19.45, 16.36, 11.51) [0.9576, 0.8053, 0.5667]\n", + " PeriodicSite: S (1.273, 6.466, 9.437) [0.06269, 0.3183, 0.4646]\n", + " PeriodicSite: S (1.007, 6.909, 19.62) [0.04956, 0.3401, 0.9659]\n", + " PeriodicSite: S (1.159, 16.54, 8.943) [0.05704, 0.8141, 0.4403]\n", + " PeriodicSite: S (1.382, 16.17, 19.07) [0.06802, 0.7962, 0.9389]\n", + " PeriodicSite: S (10.94, 6.673, 9.062) [0.5388, 0.3285, 0.4462]\n", + " PeriodicSite: S (11.64, 6.49, 19.51) [0.573, 0.3195, 0.9604]\n", + " PeriodicSite: S (11.56, 16.49, 9.015) [0.5692, 0.8116, 0.4438]\n", + " PeriodicSite: S (11.25, 16.03, 19.22) [0.554, 0.7892, 0.9464]\n", + " PeriodicSite: S (6.29, 8.554, 1.509) [0.3096, 0.4211, 0.0743]\n", + " PeriodicSite: S (6.636, 8.829, 11.09) [0.3267, 0.4347, 0.5459]\n", + " PeriodicSite: S (6.606, 19.26, 1.052) [0.3252, 0.9483, 0.05178]\n", + " PeriodicSite: S (5.914, 19.53, 11.52) [0.2912, 0.9617, 0.5669]\n", + " PeriodicSite: S (16.61, 8.885, 1.08) [0.8179, 0.4374, 0.05318]\n", + " PeriodicSite: S (16.51, 9.062, 11.6) [0.8128, 0.4461, 0.5712]\n", + " PeriodicSite: S (16.18, 19.11, 1.388) [0.7968, 0.9408, 0.06833]\n", + " PeriodicSite: S (16.39, 19.55, 11.05) [0.8068, 0.9623, 0.5439]\n", + " PeriodicSite: S (7.834, 7.545, 17.78) [0.3857, 0.3714, 0.8754]\n", + " PeriodicSite: S (7.528, 17.51, 8.086) [0.3706, 0.8618, 0.3981]\n", + " PeriodicSite: S (17.66, 7.75, 7.623) [0.8695, 0.3816, 0.3753]\n", + " PeriodicSite: S (17.83, 18.02, 7.663) [0.8778, 0.8873, 0.3773]\n", + " PeriodicSite: P (5.347, 0.1338, 0.0006566) [0.2632, 0.006587, 3.38e-05]\n", + " PeriodicSite: P (4.704, 0.1147, 10.05) [0.2316, 0.005647, 0.4949]\n", + " PeriodicSite: P (5.032, 9.645, 0.2057) [0.2477, 0.4748, 0.01013]\n", + " PeriodicSite: P (5.315, 10.06, 10.11) [0.2616, 0.4953, 0.4979]\n", + " PeriodicSite: P (14.9, 20.24, 0.145) [0.7337, 0.9964, 0.007142]\n", + " PeriodicSite: P (15.16, 0.5057, 10.04) [0.7465, 0.02489, 0.4945]\n", + " PeriodicSite: P (15.28, 10.3, 0.2212) [0.7524, 0.507, 0.01089]\n", + " PeriodicSite: P (15.37, 10.26, 10.35) [0.7569, 0.5049, 0.5094]\n", + " PeriodicSite: P (4.942, 4.886, 5.413) [0.2433, 0.2406, 0.2665]\n", + " PeriodicSite: P (5.17, 4.734, 15.33) [0.2545, 0.233, 0.7545]\n", + " PeriodicSite: P (5.274, 14.93, 4.89) [0.2596, 0.7352, 0.2407]\n", + " PeriodicSite: P (4.677, 15.31, 15.43) [0.2302, 0.7538, 0.7596]\n", + " PeriodicSite: P (15.42, 4.994, 4.956) [0.759, 0.2459, 0.244]\n", + " PeriodicSite: P (15.16, 5.07, 15.3) [0.7462, 0.2496, 0.7532]\n", + " PeriodicSite: P (15.37, 15.25, 5.156) [0.7569, 0.7508, 0.2538]\n", + " PeriodicSite: P (15.12, 15.42, 15.49) [0.7445, 0.7592, 0.7625]\n", + " PeriodicSite: P (20.3, 20.23, 4.83) [0.9996, 0.9961, 0.2378]\n", + " PeriodicSite: P (19.89, 0.05045, 15.13) [0.9794, 0.002476, 0.745]\n", + " PeriodicSite: P (20.16, 10.16, 5.118) [0.9925, 0.5, 0.252]\n", + " PeriodicSite: P (0.03003, 10.19, 15.35) [0.001478, 0.5017, 0.7558]\n", + " PeriodicSite: P (10.07, 20.21, 5.057) [0.4956, 0.9949, 0.249]\n", + " PeriodicSite: P (10.3, 20.14, 15.31) [0.5072, 0.9913, 0.7535]\n", + " PeriodicSite: P (10.37, 10.18, 4.987) [0.5104, 0.5013, 0.2455]\n", + " PeriodicSite: P (10.08, 10.36, 14.76) [0.4961, 0.51, 0.7267]\n", + " PeriodicSite: P (20.21, 5.277, 0.1488) [0.9951, 0.2598, 0.007333]\n", + " PeriodicSite: P (0.05452, 5.024, 10.4) [0.002684, 0.2473, 0.5122]\n", + " PeriodicSite: P (0.1816, 15.0, 0.1085) [0.008934, 0.7385, 0.005344]\n", + " PeriodicSite: P (0.1573, 15.24, 10.1) [0.007739, 0.7501, 0.4974]\n", + " PeriodicSite: P (10.45, 5.03, 0.03857) [0.5146, 0.2476, 0.001902]\n", + " PeriodicSite: P (9.814, 5.221, 10.08) [0.4831, 0.257, 0.4962]\n", + " PeriodicSite: P (9.882, 14.93, 0.02981) [0.4865, 0.7349, 0.001472]\n", + " PeriodicSite: P (10.28, 15.23, 10.15) [0.506, 0.7498, 0.4996],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (2.23, 6.838, 4.731) [0.1098, 0.3366, 0.2329]\n", + " PeriodicSite: Li (19.95, 2.157, 12.52) [0.9824, 0.1062, 0.6166]\n", + " PeriodicSite: Li (0.2232, 12.28, 8.129) [0.01098, 0.6045, 0.4002]\n", + " PeriodicSite: Li (19.85, 12.98, 15.04) [0.9775, 0.6389, 0.7405]\n", + " PeriodicSite: Li (15.13, 1.93, 6.72) [0.7448, 0.09502, 0.3309]\n", + " PeriodicSite: Li (11.66, 3.516, 15.71) [0.5738, 0.1731, 0.7733]\n", + " PeriodicSite: Li (14.68, 12.58, 5.924) [0.7227, 0.6194, 0.2917]\n", + " PeriodicSite: Li (15.99, 8.095, 15.68) [0.787, 0.3985, 0.772]\n", + " PeriodicSite: Li (3.704, 3.865, 8.387) [0.1823, 0.1903, 0.4129]\n", + " PeriodicSite: Li (3.043, 2.758, 0.1698) [0.1498, 0.1358, 0.00836]\n", + " PeriodicSite: Li (5.202, 8.227, 3.385) [0.2561, 0.405, 0.1666]\n", + " PeriodicSite: Li (7.147, 10.03, 17.44) [0.3519, 0.4939, 0.8586]\n", + " PeriodicSite: Li (12.72, 3.749, 5.525) [0.6264, 0.1846, 0.272]\n", + " PeriodicSite: Li (13.32, 0.209, 17.44) [0.6558, 0.01028, 0.8584]\n", + " PeriodicSite: Li (11.95, 10.1, 11.74) [0.5884, 0.4974, 0.5778]\n", + " PeriodicSite: Li (9.037, 18.17, 19.24) [0.4449, 0.8946, 0.9472]\n", + " PeriodicSite: Li (6.646, 0.6011, 6.203) [0.3272, 0.02959, 0.3054]\n", + " PeriodicSite: Li (4.492, 18.75, 13.46) [0.2212, 0.923, 0.6626]\n", + " PeriodicSite: Li (2.997, 9.903, 4.03) [0.1475, 0.4875, 0.1984]\n", + " PeriodicSite: Li (6.052, 9.762, 13.02) [0.2979, 0.4806, 0.6408]\n", + " PeriodicSite: Li (11.32, 0.4398, 8.182) [0.5571, 0.02165, 0.4028]\n", + " PeriodicSite: Li (10.36, 1.544, 18.67) [0.5101, 0.07599, 0.9194]\n", + " PeriodicSite: Li (13.15, 14.96, 8.668) [0.6472, 0.7363, 0.4267]\n", + " PeriodicSite: Li (12.3, 9.814, 0.9968) [0.6056, 0.4831, 0.04908]\n", + " PeriodicSite: Li (0.1953, 5.915, 7.784) [0.009615, 0.2912, 0.3832]\n", + " PeriodicSite: Li (0.518, 2.602, 16.71) [0.02551, 0.1281, 0.8227]\n", + " PeriodicSite: Li (2.306, 13.93, 6.072) [0.1135, 0.6857, 0.2989]\n", + " PeriodicSite: Li (3.074, 15.12, 18.5) [0.1513, 0.7444, 0.9106]\n", + " PeriodicSite: Li (13.19, 0.1506, 6.091) [0.6495, 0.007411, 0.2999]\n", + " PeriodicSite: Li (15.59, 2.075, 15.28) [0.7677, 0.1022, 0.7524]\n", + " PeriodicSite: Li (10.97, 12.24, 9.162) [0.5401, 0.6025, 0.4511]\n", + " PeriodicSite: Li (17.47, 16.65, 0.2852) [0.8603, 0.8196, 0.01405]\n", + " PeriodicSite: Li (4.047, 2.294, 5.818) [0.1992, 0.1129, 0.2864]\n", + " PeriodicSite: Li (0.4441, 17.43, 3.063) [0.02186, 0.8583, 0.1508]\n", + " PeriodicSite: Li (2.898, 14.68, 9.086) [0.1427, 0.7225, 0.4473]\n", + " PeriodicSite: Li (20.28, 17.09, 13.65) [0.9985, 0.8413, 0.6718]\n", + " PeriodicSite: Li (14.39, 4.548, 7.926) [0.7085, 0.2239, 0.3902]\n", + " PeriodicSite: Li (13.98, 6.602, 19.07) [0.6883, 0.325, 0.9386]\n", + " PeriodicSite: Li (16.95, 15.45, 8.229) [0.8344, 0.7605, 0.4051]\n", + " PeriodicSite: Li (10.59, 12.09, 18.32) [0.5214, 0.5951, 0.9018]\n", + " PeriodicSite: Li (0.5319, 2.488, 6.076) [0.02619, 0.1225, 0.2991]\n", + " PeriodicSite: Li (1.809, 0.5782, 18.94) [0.08908, 0.02847, 0.9325]\n", + " PeriodicSite: Li (3.328, 10.11, 7.231) [0.1638, 0.4979, 0.356]\n", + " PeriodicSite: Li (18.49, 14.91, 3.682) [0.9103, 0.7341, 0.1813]\n", + " PeriodicSite: Li (10.36, 3.246, 7.018) [0.5099, 0.1598, 0.3455]\n", + " PeriodicSite: Li (16.8, 20.29, 13.6) [0.8271, 0.9987, 0.6698]\n", + " PeriodicSite: Li (13.67, 10.3, 6.882) [0.6727, 0.5072, 0.3388]\n", + " PeriodicSite: Li (14.21, 10.43, 17.32) [0.6996, 0.5134, 0.8528]\n", + " PeriodicSite: Li (3.682, 12.36, 15.81) [0.1813, 0.6084, 0.7782]\n", + " PeriodicSite: Li (1.931, 12.22, 10.04) [0.09504, 0.6016, 0.4942]\n", + " PeriodicSite: Li (2.857, 17.62, 4.686) [0.1406, 0.8675, 0.2307]\n", + " PeriodicSite: Li (1.806, 1.571, 9.748) [0.08891, 0.07735, 0.4799]\n", + " PeriodicSite: Li (13.27, 5.348, 1.338) [0.6534, 0.2633, 0.06587]\n", + " PeriodicSite: Li (12.41, 7.676, 14.78) [0.6109, 0.3779, 0.7275]\n", + " PeriodicSite: Li (11.49, 12.97, 5.376) [0.5658, 0.6387, 0.2646]\n", + " PeriodicSite: Li (13.75, 18.18, 15.22) [0.6771, 0.8949, 0.7493]\n", + " PeriodicSite: Li (2.957, 5.732, 1.776) [0.1456, 0.2822, 0.08742]\n", + " PeriodicSite: Li (3.181, 5.096, 11.13) [0.1566, 0.2509, 0.5481]\n", + " PeriodicSite: Li (6.359, 15.46, 18.99) [0.3131, 0.761, 0.9348]\n", + " PeriodicSite: Li (2.57, 18.37, 15.43) [0.1265, 0.9043, 0.7596]\n", + " PeriodicSite: Li (14.41, 3.126, 19.09) [0.7093, 0.1539, 0.9398]\n", + " PeriodicSite: Li (10.65, 6.478, 12.77) [0.5242, 0.3189, 0.6287]\n", + " PeriodicSite: Li (10.43, 16.49, 2.473) [0.5135, 0.812, 0.1218]\n", + " PeriodicSite: Li (10.65, 16.89, 13.28) [0.5243, 0.8315, 0.6536]\n", + " PeriodicSite: Li (3.307, 9.893, 17.47) [0.1628, 0.4871, 0.86]\n", + " PeriodicSite: Li (5.497, 6.833, 9.649) [0.2706, 0.3364, 0.475]\n", + " PeriodicSite: Li (4.986, 18.69, 2.886) [0.2455, 0.92, 0.1421]\n", + " PeriodicSite: Li (1.783, 18.08, 10.51) [0.08776, 0.8902, 0.5172]\n", + " PeriodicSite: Li (10.74, 7.318, 3.597) [0.529, 0.3603, 0.1771]\n", + " PeriodicSite: Li (14.72, 6.601, 12.05) [0.7249, 0.325, 0.5933]\n", + " PeriodicSite: Li (11.27, 20.0, 2.065) [0.5547, 0.9845, 0.1017]\n", + " PeriodicSite: Li (13.32, 15.18, 11.94) [0.6558, 0.7472, 0.5877]\n", + " PeriodicSite: Li (1.826, 8.7, 0.4443) [0.08989, 0.4283, 0.02188]\n", + " PeriodicSite: Li (17.42, 4.789, 8.222) [0.8577, 0.2357, 0.4048]\n", + " PeriodicSite: Li (2.277, 20.18, 2.453) [0.1121, 0.9934, 0.1208]\n", + " PeriodicSite: Li (1.493, 20.01, 12.53) [0.07348, 0.9853, 0.6168]\n", + " PeriodicSite: Li (9.393, 7.407, 6.462) [0.4624, 0.3647, 0.3181]\n", + " PeriodicSite: Li (12.35, 12.38, 15.42) [0.6078, 0.6095, 0.7592]\n", + " PeriodicSite: Li (14.52, 17.28, 1.605) [0.7147, 0.8506, 0.07902]\n", + " PeriodicSite: Li (11.45, 16.53, 16.67) [0.5639, 0.8136, 0.8208]\n", + " PeriodicSite: Li (7.245, 9.69, 6.407) [0.3567, 0.477, 0.3154]\n", + " PeriodicSite: Li (0.08948, 12.15, 12.65) [0.004403, 0.5981, 0.6226]\n", + " PeriodicSite: Li (19.74, 17.26, 6.683) [0.9719, 0.85, 0.329]\n", + " PeriodicSite: Li (5.4, 18.47, 17.2) [0.2658, 0.9093, 0.8467]\n", + " PeriodicSite: Li (16.59, 10.66, 3.144) [0.817, 0.5249, 0.1548]\n", + " PeriodicSite: Li (12.75, 6.984, 10.09) [0.6277, 0.3438, 0.4969]\n", + " PeriodicSite: Li (12.77, 14.92, 0.242) [0.6284, 0.7344, 0.01192]\n", + " PeriodicSite: Li (11.2, 17.78, 10.52) [0.5516, 0.8754, 0.5177]\n", + " PeriodicSite: Li (5.393, 3.095, 18.87) [0.2655, 0.1524, 0.9289]\n", + " PeriodicSite: Li (2.991, 9.485, 13.83) [0.1473, 0.467, 0.6808]\n", + " PeriodicSite: Li (6.895, 0.5194, 3.487) [0.3394, 0.02557, 0.1717]\n", + " PeriodicSite: Li (2.377, 15.49, 13.16) [0.117, 0.7627, 0.6481]\n", + " PeriodicSite: Li (13.77, 9.421, 3.534) [0.6781, 0.4638, 0.174]\n", + " PeriodicSite: Li (14.32, 9.565, 13.2) [0.7049, 0.4709, 0.6499]\n", + " PeriodicSite: Li (12.45, 17.28, 4.947) [0.6127, 0.8505, 0.2435]\n", + " PeriodicSite: Li (18.07, 5.598, 14.42) [0.8895, 0.2756, 0.7099]\n", + " PeriodicSite: Li (7.649, 2.785, 0.2586) [0.3765, 0.1371, 0.01273]\n", + " PeriodicSite: Li (9.597, 3.722, 13.06) [0.4725, 0.1832, 0.643]\n", + " PeriodicSite: Li (8.179, 13.0, 4.622) [0.4027, 0.6401, 0.2275]\n", + " PeriodicSite: Li (6.686, 12.17, 14.99) [0.3292, 0.5989, 0.7382]\n", + " PeriodicSite: Li (18.26, 4.374, 3.783) [0.899, 0.2153, 0.1863]\n", + " PeriodicSite: Li (12.89, 2.852, 9.467) [0.6346, 0.1404, 0.4661]\n", + " PeriodicSite: Li (0.7483, 13.57, 3.231) [0.03683, 0.668, 0.1591]\n", + " PeriodicSite: Li (17.11, 10.89, 13.56) [0.8422, 0.5361, 0.6674]\n", + " PeriodicSite: Li (7.201, 18.06, 5.422) [0.3545, 0.8892, 0.2669]\n", + " PeriodicSite: Li (7.069, 2.248, 15.13) [0.348, 0.1107, 0.7448]\n", + " PeriodicSite: Li (3.461, 12.51, 19.92) [0.1704, 0.6157, 0.9807]\n", + " PeriodicSite: Li (9.189, 12.95, 14.24) [0.4524, 0.6374, 0.7011]\n", + " PeriodicSite: Li (14.31, 20.08, 3.228) [0.7044, 0.9883, 0.1589]\n", + " PeriodicSite: Li (18.24, 1.334, 10.28) [0.898, 0.06568, 0.506]\n", + " PeriodicSite: Li (17.67, 12.9, 0.4062) [0.8699, 0.6352, 0.02]\n", + " PeriodicSite: Li (17.27, 15.07, 11.68) [0.8504, 0.7422, 0.5749]\n", + " PeriodicSite: Li (9.853, 3.387, 3.232) [0.4851, 0.1667, 0.1591]\n", + " PeriodicSite: Li (9.486, 0.8494, 12.23) [0.467, 0.04181, 0.6022]\n", + " PeriodicSite: Li (8.526, 14.64, 2.76) [0.4197, 0.7206, 0.1359]\n", + " PeriodicSite: Li (4.986, 12.96, 9.506) [0.2455, 0.638, 0.468]\n", + " PeriodicSite: Li (20.23, 2.178, 2.144) [0.9957, 0.1072, 0.1055]\n", + " PeriodicSite: Li (0.3578, 6.861, 13.22) [0.01762, 0.3378, 0.6509]\n", + " PeriodicSite: Li (15.29, 13.8, 2.246) [0.7526, 0.6793, 0.1106]\n", + " PeriodicSite: Li (15.9, 12.57, 15.29) [0.7827, 0.6189, 0.753]\n", + " PeriodicSite: Li (3.538, 19.62, 6.27) [0.1742, 0.9657, 0.3087]\n", + " PeriodicSite: Li (7.459, 19.71, 15.48) [0.3672, 0.9703, 0.7619]\n", + " PeriodicSite: Li (5.39, 13.33, 1.715) [0.2654, 0.6561, 0.08443]\n", + " PeriodicSite: Li (8.56, 7.308, 15.78) [0.4214, 0.3598, 0.7768]\n", + " PeriodicSite: Li (17.58, 4.1, 0.6291) [0.8656, 0.2019, 0.03098]\n", + " PeriodicSite: Li (15.08, 17.28, 11.82) [0.7424, 0.8509, 0.5819]\n", + " PeriodicSite: Li (14.71, 13.38, 18.54) [0.7241, 0.6586, 0.9125]\n", + " PeriodicSite: Li (18.59, 12.15, 10.92) [0.915, 0.5981, 0.5374]\n", + " PeriodicSite: Li (7.79, 8.004, 20.19) [0.3835, 0.394, 0.9939]\n", + " PeriodicSite: Li (5.572, 1.057, 13.07) [0.2743, 0.05206, 0.6436]\n", + " PeriodicSite: Li (10.02, 11.91, 2.231) [0.4933, 0.5865, 0.1099]\n", + " PeriodicSite: Li (7.648, 11.6, 10.95) [0.3765, 0.5711, 0.5393]\n", + " PeriodicSite: Li (15.53, 3.094, 1.391) [0.7648, 0.1523, 0.06851]\n", + " PeriodicSite: Li (15.6, 3.354, 11.5) [0.7681, 0.1651, 0.5663]\n", + " PeriodicSite: Li (20.15, 12.0, 18.79) [0.9919, 0.5907, 0.9249]\n", + " PeriodicSite: Li (18.12, 15.22, 14.34) [0.8923, 0.7494, 0.7059]\n", + " PeriodicSite: Li (5.117, 3.142, 2.294) [0.2519, 0.1547, 0.1129]\n", + " PeriodicSite: Li (7.048, 2.785, 10.21) [0.347, 0.1371, 0.5026]\n", + " PeriodicSite: Li (6.452, 15.54, 1.484) [0.3176, 0.7649, 0.07305]\n", + " PeriodicSite: Li (4.073, 17.28, 11.27) [0.2005, 0.8508, 0.5551]\n", + " PeriodicSite: Li (18.18, 0.4524, 1.169) [0.8949, 0.02226, 0.05757]\n", + " PeriodicSite: Li (2.487, 5.677, 14.62) [0.1225, 0.2795, 0.7197]\n", + " PeriodicSite: Li (4.811, 12.16, 6.392) [0.2368, 0.5985, 0.3147]\n", + " PeriodicSite: Li (14.81, 13.26, 9.807) [0.7293, 0.6529, 0.4828]\n", + " PeriodicSite: Li (17.72, 12.49, 5.004) [0.8723, 0.6147, 0.2464]\n", + " PeriodicSite: Li (5.634, 8.199, 15.45) [0.2774, 0.4036, 0.7606]\n", + " PeriodicSite: Li (5.465, 14.73, 12.57) [0.269, 0.725, 0.6189]\n", + " PeriodicSite: Li (3.552, 16.76, 0.1611) [0.1748, 0.8249, 0.007935]\n", + " PeriodicSite: Li (16.96, 9.929, 7.351) [0.8352, 0.4888, 0.3619]\n", + " PeriodicSite: Li (2.327, 4.738, 18.32) [0.1146, 0.2333, 0.9019]\n", + " PeriodicSite: Li (15.76, 2.154, 3.956) [0.7761, 0.106, 0.1948]\n", + " PeriodicSite: Li (18.25, 20.07, 18.27) [0.8987, 0.9882, 0.8997]\n", + " PeriodicSite: Li (4.885, 7.934, 6.764) [0.2405, 0.3906, 0.333]\n", + " PeriodicSite: Li (8.071, 5.72, 18.2) [0.3973, 0.2816, 0.8958]\n", + " PeriodicSite: Li (7.779, 19.39, 9.208) [0.383, 0.9547, 0.4533]\n", + " PeriodicSite: Li (7.775, 15.62, 15.86) [0.3828, 0.7688, 0.781]\n", + " PeriodicSite: Li (17.09, 7.373, 10.49) [0.8415, 0.363, 0.5166]\n", + " PeriodicSite: Li (18.65, 8.317, 0.3655) [0.9182, 0.4094, 0.018]\n", + " PeriodicSite: Li (16.73, 19.69, 7.236) [0.8236, 0.9695, 0.3562]\n", + " PeriodicSite: Li (19.79, 17.1, 17.13) [0.9744, 0.8416, 0.8435]\n", + " PeriodicSite: Li (6.694, 5.284, 8.457) [0.3296, 0.2601, 0.4164]\n", + " PeriodicSite: Li (3.654, 1.842, 15.51) [0.1799, 0.09067, 0.7635]\n", + " PeriodicSite: Li (7.149, 15.82, 9.639) [0.3519, 0.7789, 0.4746]\n", + " PeriodicSite: Li (17.16, 9.93, 17.16) [0.8451, 0.4888, 0.845]\n", + " PeriodicSite: Li (19.61, 9.31, 8.073) [0.9654, 0.4583, 0.3975]\n", + " PeriodicSite: Li (16.9, 5.753, 18.17) [0.8319, 0.2832, 0.8945]\n", + " PeriodicSite: Li (15.51, 17.71, 9.523) [0.7636, 0.872, 0.4688]\n", + " PeriodicSite: Li (15.68, 16.32, 18.52) [0.7717, 0.8033, 0.9117]\n", + " PeriodicSite: Li (8.751, 8.333, 9.719) [0.4308, 0.4102, 0.4785]\n", + " PeriodicSite: Li (6.821, 5.625, 2.201) [0.3358, 0.2769, 0.1083]\n", + " PeriodicSite: Li (5.067, 16.87, 8.346) [0.2495, 0.8304, 0.4109]\n", + " PeriodicSite: Li (7.83, 11.92, 20.24) [0.3855, 0.5867, 0.9964]\n", + " PeriodicSite: Li (15.72, 6.999, 8.041) [0.774, 0.3446, 0.3959]\n", + " PeriodicSite: Li (19.81, 6.666, 17.0) [0.9751, 0.3282, 0.8367]\n", + " PeriodicSite: Li (16.24, 17.55, 5.7) [0.7995, 0.8638, 0.2806]\n", + " PeriodicSite: Li (16.7, 18.87, 15.54) [0.822, 0.929, 0.7649]\n", + " PeriodicSite: Li (5.865, 4.237, 12.55) [0.2887, 0.2086, 0.6179]\n", + " PeriodicSite: Li (4.641, 6.421, 18.99) [0.2285, 0.3161, 0.9348]\n", + " PeriodicSite: Li (9.488, 18.33, 7.46) [0.4671, 0.9023, 0.3673]\n", + " PeriodicSite: Li (12.29, 17.96, 20.3) [0.6049, 0.8842, 0.9994]\n", + " PeriodicSite: Li (16.08, 8.16, 5.32) [0.7917, 0.4017, 0.2619]\n", + " PeriodicSite: Li (16.28, 6.631, 1.614) [0.8014, 0.3265, 0.07947]\n", + " PeriodicSite: Li (19.01, 18.48, 9.595) [0.9359, 0.91, 0.4724]\n", + " PeriodicSite: Li (17.49, 0.1962, 4.195) [0.8609, 0.00965, 0.2065]\n", + " PeriodicSite: Li (6.289, 10.88, 3.225) [0.3096, 0.5355, 0.1587]\n", + " PeriodicSite: Li (10.3, 8.455, 18.55) [0.507, 0.4162, 0.9132]\n", + " PeriodicSite: Li (8.791, 15.39, 6.878) [0.4328, 0.7576, 0.3386]\n", + " PeriodicSite: Li (4.393, 0.6948, 17.51) [0.2163, 0.0342, 0.862]\n", + " PeriodicSite: Li (19.16, 7.426, 5.617) [0.9433, 0.3656, 0.2765]\n", + " PeriodicSite: Li (19.71, 11.12, 2.176) [0.9704, 0.5473, 0.1071]\n", + " PeriodicSite: Li (3.91, 15.85, 2.631) [0.1925, 0.7803, 0.1295]\n", + " PeriodicSite: Li (13.49, 0.794, 13.55) [0.6641, 0.03908, 0.6673]\n", + " PeriodicSite: Cl (7.372, 13.1, 12.97) [0.3629, 0.6449, 0.6387]\n", + " PeriodicSite: Cl (2.52, 12.13, 17.86) [0.1241, 0.5969, 0.8791]\n", + " PeriodicSite: Cl (12.72, 17.56, 12.36) [0.6261, 0.8644, 0.6083]\n", + " PeriodicSite: Cl (17.65, 7.72, 17.65) [0.8692, 0.3801, 0.8688]\n", + " PeriodicSite: Cl (7.403, 3.123, 2.504) [0.3645, 0.1537, 0.1233]\n", + " PeriodicSite: Cl (7.417, 7.584, 7.632) [0.3652, 0.3733, 0.3757]\n", + " PeriodicSite: Cl (12.97, 12.65, 7.685) [0.6384, 0.6229, 0.3783]\n", + " PeriodicSite: Cl (2.604, 8.047, 2.476) [0.1282, 0.3962, 0.1219]\n", + " PeriodicSite: Cl (2.66, 7.449, 13.18) [0.131, 0.3667, 0.6489]\n", + " PeriodicSite: Cl (12.59, 12.72, 17.6) [0.6199, 0.6261, 0.8662]\n", + " PeriodicSite: Cl (17.69, 17.87, 18.21) [0.8708, 0.8798, 0.8966]\n", + " PeriodicSite: Cl (2.303, 1.893, 7.49) [0.1134, 0.09317, 0.3687]\n", + " PeriodicSite: Cl (12.57, 2.401, 17.75) [0.6191, 0.1182, 0.8738]\n", + " PeriodicSite: Cl (13.29, 7.554, 2.359) [0.6543, 0.3719, 0.1161]\n", + " PeriodicSite: Cl (17.62, 2.146, 12.32) [0.8672, 0.1056, 0.6064]\n", + " PeriodicSite: Cl (7.764, 17.02, 17.88) [0.3822, 0.8377, 0.8802]\n", + " PeriodicSite: Cl (19.93, 1.049, 20.08) [0.9813, 0.05165, 0.9883]\n", + " PeriodicSite: Cl (0.05828, 0.05912, 10.48) [0.002872, 0.002911, 0.5162]\n", + " PeriodicSite: Cl (20.24, 10.17, 0.1645) [0.9964, 0.5009, 0.008107]\n", + " PeriodicSite: Cl (0.04477, 10.92, 10.35) [0.002202, 0.5374, 0.5094]\n", + " PeriodicSite: Cl (10.44, 19.98, 20.23) [0.5138, 0.9835, 0.9958]\n", + " PeriodicSite: Cl (10.2, 0.1045, 10.06) [0.5021, 0.005139, 0.4952]\n", + " PeriodicSite: Cl (10.09, 10.56, 20.08) [0.4968, 0.5199, 0.9887]\n", + " PeriodicSite: Cl (10.24, 10.18, 10.28) [0.504, 0.5013, 0.5063]\n", + " PeriodicSite: Cl (20.14, 5.292, 5.503) [0.9913, 0.2605, 0.2709]\n", + " PeriodicSite: Cl (0.1037, 5.256, 15.13) [0.005105, 0.2587, 0.745]\n", + " PeriodicSite: Cl (0.542, 15.28, 4.883) [0.02668, 0.7524, 0.2404]\n", + " PeriodicSite: Cl (20.28, 15.62, 15.28) [0.9982, 0.7688, 0.7521]\n", + " PeriodicSite: Cl (10.56, 4.761, 5.04) [0.5201, 0.2344, 0.2481]\n", + " PeriodicSite: Cl (10.28, 5.379, 14.85) [0.5061, 0.2648, 0.7309]\n", + " PeriodicSite: Cl (9.444, 15.6, 4.66) [0.4649, 0.7681, 0.2294]\n", + " PeriodicSite: Cl (10.11, 15.4, 14.94) [0.4975, 0.7581, 0.7353]\n", + " PeriodicSite: S (5.408, 19.69, 4.892) [0.2662, 0.9692, 0.2409]\n", + " PeriodicSite: S (5.306, 0.0721, 15.58) [0.2612, 0.003549, 0.7672]\n", + " PeriodicSite: S (4.979, 9.785, 5.146) [0.2451, 0.4817, 0.2533]\n", + " PeriodicSite: S (5.144, 10.31, 15.08) [0.2533, 0.5076, 0.7424]\n", + " PeriodicSite: S (15.46, 0.1083, 5.17) [0.7611, 0.005323, 0.2545]\n", + " PeriodicSite: S (14.93, 20.2, 14.96) [0.7348, 0.9944, 0.7367]\n", + " PeriodicSite: S (15.42, 10.33, 5.257) [0.759, 0.5084, 0.2588]\n", + " PeriodicSite: S (15.61, 10.23, 15.31) [0.7687, 0.5036, 0.7537]\n", + " PeriodicSite: S (4.876, 4.629, 0.2673) [0.24, 0.2279, 0.01316]\n", + " PeriodicSite: S (5.138, 4.497, 10.06) [0.253, 0.2214, 0.4951]\n", + " PeriodicSite: S (4.661, 14.81, 0.2346) [0.2295, 0.7293, 0.01155]\n", + " PeriodicSite: S (4.956, 15.27, 10.39) [0.244, 0.752, 0.5113]\n", + " PeriodicSite: S (15.48, 5.095, 20.08) [0.7619, 0.2508, 0.9887]\n", + " PeriodicSite: S (15.15, 5.475, 9.996) [0.7458, 0.2695, 0.4921]\n", + " PeriodicSite: S (15.12, 15.08, 0.06318) [0.7446, 0.7425, 0.003116]\n", + " PeriodicSite: S (15.25, 15.57, 10.34) [0.7509, 0.7663, 0.5091]\n", + " PeriodicSite: S (8.626, 3.856, 8.79) [0.4247, 0.1898, 0.4327]\n", + " PeriodicSite: S (9.221, 4.15, 19.31) [0.4539, 0.2043, 0.9509]\n", + " PeriodicSite: S (8.935, 13.9, 8.815) [0.4399, 0.6843, 0.434]\n", + " PeriodicSite: S (8.745, 13.7, 19.13) [0.4305, 0.6745, 0.9417]\n", + " PeriodicSite: S (19.54, 3.899, 8.936) [0.962, 0.1919, 0.4399]\n", + " PeriodicSite: S (19.33, 4.346, 18.96) [0.9517, 0.214, 0.9335]\n", + " PeriodicSite: S (19.1, 14.13, 9.272) [0.9401, 0.6956, 0.4565]\n", + " PeriodicSite: S (19.2, 14.15, 18.87) [0.9452, 0.6968, 0.929]\n", + " PeriodicSite: S (4.271, 0.8751, 1.412) [0.2103, 0.04308, 0.06954]\n", + " PeriodicSite: S (3.936, 1.23, 11.4) [0.1938, 0.06057, 0.5612]\n", + " PeriodicSite: S (4.048, 11.22, 1.657) [0.1993, 0.5525, 0.08158]\n", + " PeriodicSite: S (4.147, 11.08, 11.31) [0.2042, 0.5452, 0.5567]\n", + " PeriodicSite: S (13.74, 1.317, 1.415) [0.6765, 0.06484, 0.06967]\n", + " PeriodicSite: S (13.83, 1.644, 11.18) [0.6807, 0.08094, 0.5504]\n", + " PeriodicSite: S (14.25, 11.43, 1.313) [0.7013, 0.5625, 0.06464]\n", + " PeriodicSite: S (14.08, 11.48, 11.36) [0.693, 0.5653, 0.5591]\n", + " PeriodicSite: S (5.892, 0.8443, 8.862) [0.29, 0.04157, 0.4363]\n", + " PeriodicSite: S (6.349, 0.9065, 18.89) [0.3126, 0.04463, 0.9299]\n", + " PeriodicSite: S (6.399, 10.83, 8.655) [0.315, 0.5334, 0.4261]\n", + " PeriodicSite: S (5.892, 11.46, 19.19) [0.2901, 0.5641, 0.9446]\n", + " PeriodicSite: S (16.12, 1.898, 8.998) [0.7935, 0.09346, 0.443]\n", + " PeriodicSite: S (16.21, 1.311, 19.48) [0.7982, 0.06452, 0.9592]\n", + " PeriodicSite: S (16.42, 11.64, 9.171) [0.8086, 0.5733, 0.4515]\n", + " PeriodicSite: S (16.14, 11.27, 18.78) [0.7944, 0.5546, 0.9248]\n", + " PeriodicSite: S (1.282, 4.22, 1.14) [0.0631, 0.2078, 0.05613]\n", + " PeriodicSite: S (1.193, 3.661, 11.72) [0.05872, 0.1802, 0.577]\n", + " PeriodicSite: S (1.31, 13.63, 0.8282) [0.0645, 0.671, 0.04078]\n", + " PeriodicSite: S (1.26, 14.32, 11.38) [0.06203, 0.7048, 0.5601]\n", + " PeriodicSite: S (11.21, 3.73, 1.326) [0.552, 0.1836, 0.06528]\n", + " PeriodicSite: S (11.23, 4.147, 10.89) [0.5529, 0.2042, 0.5364]\n", + " PeriodicSite: S (10.92, 14.16, 1.469) [0.5374, 0.6969, 0.07234]\n", + " PeriodicSite: S (11.7, 13.85, 11.03) [0.576, 0.6818, 0.5432]\n", + " PeriodicSite: S (2.613, 2.597, 18.09) [0.1286, 0.1279, 0.8904]\n", + " PeriodicSite: S (2.799, 12.45, 7.977) [0.1378, 0.6128, 0.3927]\n", + " PeriodicSite: S (12.68, 2.488, 7.339) [0.6243, 0.1225, 0.3613]\n", + " PeriodicSite: S (8.974, 8.965, 4.199) [0.4418, 0.4414, 0.2067]\n", + " PeriodicSite: S (8.854, 8.865, 14.13) [0.4359, 0.4364, 0.6959]\n", + " PeriodicSite: S (8.756, 19.26, 3.771) [0.4311, 0.9481, 0.1856]\n", + " PeriodicSite: S (9.114, 19.12, 13.98) [0.4487, 0.9412, 0.6881]\n", + " PeriodicSite: S (19.18, 9.112, 3.822) [0.9443, 0.4486, 0.1882]\n", + " PeriodicSite: S (19.29, 9.006, 14.26) [0.9496, 0.4433, 0.7022]\n", + " PeriodicSite: S (19.14, 18.97, 3.483) [0.942, 0.9339, 0.1715]\n", + " PeriodicSite: S (18.99, 19.15, 13.75) [0.9347, 0.9426, 0.6769]\n", + " PeriodicSite: S (3.528, 6.174, 6.69) [0.1737, 0.304, 0.3294]\n", + " PeriodicSite: S (3.944, 6.266, 16.43) [0.1942, 0.3085, 0.8086]\n", + " PeriodicSite: S (4.025, 16.2, 6.369) [0.1981, 0.7976, 0.3135]\n", + " PeriodicSite: S (3.334, 16.54, 16.66) [0.1641, 0.8141, 0.8201]\n", + " PeriodicSite: S (14.35, 6.198, 6.154) [0.7065, 0.3051, 0.303]\n", + " PeriodicSite: S (14.04, 6.498, 16.39) [0.6911, 0.3199, 0.8071]\n", + " PeriodicSite: S (14.22, 16.59, 6.245) [0.7003, 0.8167, 0.3074]\n", + " PeriodicSite: S (13.91, 16.28, 16.41) [0.6846, 0.8014, 0.8078]\n", + " PeriodicSite: S (6.177, 6.423, 4.673) [0.3041, 0.3162, 0.2301]\n", + " PeriodicSite: S (6.603, 6.261, 14.3) [0.3251, 0.3082, 0.7038]\n", + " PeriodicSite: S (6.132, 16.12, 3.63) [0.3019, 0.7934, 0.1787]\n", + " PeriodicSite: S (5.935, 16.74, 14.32) [0.2922, 0.8241, 0.7048]\n", + " PeriodicSite: S (16.7, 6.316, 3.92) [0.822, 0.3109, 0.193]\n", + " PeriodicSite: S (16.17, 6.367, 13.92) [0.7961, 0.3135, 0.6854]\n", + " PeriodicSite: S (16.2, 16.41, 3.586) [0.7974, 0.8078, 0.1766]\n", + " PeriodicSite: S (16.05, 16.57, 13.87) [0.7903, 0.8156, 0.6828]\n", + " PeriodicSite: S (1.292, 8.97, 6.24) [0.06361, 0.4416, 0.3072]\n", + " PeriodicSite: S (1.459, 8.758, 16.29) [0.07185, 0.4312, 0.802]\n", + " PeriodicSite: S (1.098, 18.74, 5.949) [0.05406, 0.9226, 0.2929]\n", + " PeriodicSite: S (0.3661, 19.13, 16.82) [0.01802, 0.9416, 0.8282]\n", + " PeriodicSite: S (11.63, 8.831, 6.089) [0.5726, 0.4348, 0.2998]\n", + " PeriodicSite: S (11.42, 9.358, 16.37) [0.5623, 0.4607, 0.8059]\n", + " PeriodicSite: S (11.11, 19.16, 6.193) [0.5469, 0.9431, 0.3049]\n", + " PeriodicSite: S (11.58, 19.04, 16.49) [0.5703, 0.9373, 0.812]\n", + " PeriodicSite: S (2.635, 17.72, 2.259) [0.1297, 0.8724, 0.1112]\n", + " PeriodicSite: S (2.352, 17.85, 12.94) [0.1158, 0.8786, 0.637]\n", + " PeriodicSite: S (12.71, 7.737, 12.44) [0.6255, 0.3809, 0.6122]\n", + " PeriodicSite: S (12.36, 17.7, 2.449) [0.6087, 0.8716, 0.1206]\n", + " PeriodicSite: S (3.581, 4.265, 4.05) [0.1763, 0.21, 0.1994]\n", + " PeriodicSite: S (4.011, 3.872, 14.06) [0.1975, 0.1906, 0.6924]\n", + " PeriodicSite: S (3.965, 13.76, 4.121) [0.1952, 0.6775, 0.2029]\n", + " PeriodicSite: S (3.733, 14.13, 14.24) [0.1838, 0.6955, 0.7008]\n", + " PeriodicSite: S (14.28, 3.77, 3.842) [0.703, 0.1856, 0.1891]\n", + " PeriodicSite: S (13.93, 3.756, 14.25) [0.6859, 0.1849, 0.7015]\n", + " PeriodicSite: S (13.77, 13.9, 4.089) [0.678, 0.6843, 0.2013]\n", + " PeriodicSite: S (14.07, 13.91, 14.12) [0.6927, 0.6849, 0.6952]\n", + " PeriodicSite: S (9.016, 1.528, 6.161) [0.4439, 0.07522, 0.3033]\n", + " PeriodicSite: S (8.972, 0.7985, 16.5) [0.4417, 0.03931, 0.8123]\n", + " PeriodicSite: S (9.715, 11.7, 6.059) [0.4783, 0.5758, 0.2983]\n", + " PeriodicSite: S (8.921, 11.74, 16.13) [0.4392, 0.5777, 0.7939]\n", + " PeriodicSite: S (18.78, 0.7857, 6.13) [0.9244, 0.03867, 0.3018]\n", + " PeriodicSite: S (18.52, 1.04, 16.16) [0.912, 0.05119, 0.7955]\n", + " PeriodicSite: S (19.1, 10.91, 6.662) [0.9402, 0.537, 0.328]\n", + " PeriodicSite: S (19.15, 11.18, 16.69) [0.9428, 0.5505, 0.8217]\n", + " PeriodicSite: S (1.056, 1.193, 3.924) [0.05199, 0.05873, 0.1932]\n", + " PeriodicSite: S (1.112, 1.174, 14.33) [0.05476, 0.05782, 0.7055]\n", + " PeriodicSite: S (1.197, 11.48, 4.108) [0.0589, 0.5651, 0.2022]\n", + " PeriodicSite: S (1.434, 11.57, 14.72) [0.07061, 0.5698, 0.7248]\n", + " PeriodicSite: S (11.35, 1.192, 3.791) [0.5587, 0.05866, 0.1866]\n", + " PeriodicSite: S (11.38, 1.39, 14.38) [0.5602, 0.0684, 0.708]\n", + " PeriodicSite: S (11.68, 10.98, 3.425) [0.5749, 0.5407, 0.1686]\n", + " PeriodicSite: S (10.85, 11.38, 13.64) [0.5339, 0.5603, 0.6715]\n", + " PeriodicSite: S (5.753, 3.726, 6.477) [0.2832, 0.1834, 0.3189]\n", + " PeriodicSite: S (6.447, 3.962, 16.54) [0.3174, 0.195, 0.8142]\n", + " PeriodicSite: S (6.56, 13.96, 6.217) [0.3229, 0.6871, 0.3061]\n", + " PeriodicSite: S (5.85, 14.58, 16.7) [0.288, 0.7179, 0.8222]\n", + " PeriodicSite: S (16.65, 3.746, 6.038) [0.8197, 0.1844, 0.2973]\n", + " PeriodicSite: S (16.72, 4.131, 16.03) [0.8232, 0.2034, 0.7894]\n", + " PeriodicSite: S (16.58, 14.16, 6.264) [0.8163, 0.6972, 0.3084]\n", + " PeriodicSite: S (16.76, 14.41, 16.27) [0.825, 0.7093, 0.8009]\n", + " PeriodicSite: S (7.745, 2.391, 12.71) [0.3813, 0.1177, 0.6258]\n", + " PeriodicSite: S (7.54, 12.76, 2.282) [0.3712, 0.628, 0.1123]\n", + " PeriodicSite: S (17.7, 2.473, 2.498) [0.8715, 0.1217, 0.123]\n", + " PeriodicSite: S (17.93, 12.89, 2.735) [0.8826, 0.6348, 0.1347]\n", + " PeriodicSite: S (18.39, 13.19, 13.11) [0.9054, 0.6492, 0.6453]\n", + " PeriodicSite: S (3.736, 8.666, 8.975) [0.1839, 0.4267, 0.4418]\n", + " PeriodicSite: S (3.847, 8.734, 19.54) [0.1894, 0.43, 0.9618]\n", + " PeriodicSite: S (3.579, 18.99, 9.189) [0.1762, 0.935, 0.4524]\n", + " PeriodicSite: S (3.695, 19.4, 19.11) [0.1819, 0.9551, 0.941]\n", + " PeriodicSite: S (14.46, 9.06, 8.927) [0.712, 0.446, 0.4395]\n", + " PeriodicSite: S (13.9, 9.037, 19.31) [0.6842, 0.4449, 0.9508]\n", + " PeriodicSite: S (13.94, 19.41, 8.883) [0.6861, 0.9554, 0.4373]\n", + " PeriodicSite: S (14.09, 19.19, 19.3) [0.6938, 0.9447, 0.9501]\n", + " PeriodicSite: S (9.252, 6.708, 1.409) [0.4555, 0.3303, 0.06936]\n", + " PeriodicSite: S (8.508, 6.244, 11.05) [0.4189, 0.3074, 0.5439]\n", + " PeriodicSite: S (8.698, 16.43, 0.7837) [0.4282, 0.8091, 0.03858]\n", + " PeriodicSite: S (9.258, 16.36, 11.32) [0.4558, 0.8056, 0.5574]\n", + " PeriodicSite: S (18.65, 5.982, 1.702) [0.9183, 0.2945, 0.08381]\n", + " PeriodicSite: S (19.06, 5.847, 11.67) [0.9382, 0.2878, 0.5745]\n", + " PeriodicSite: S (19.4, 16.12, 1.473) [0.9553, 0.7935, 0.07251]\n", + " PeriodicSite: S (19.33, 16.69, 11.41) [0.9515, 0.8217, 0.5619]\n", + " PeriodicSite: S (1.447, 6.325, 9.798) [0.07123, 0.3114, 0.4824]\n", + " PeriodicSite: S (0.8797, 6.888, 19.63) [0.04331, 0.3391, 0.9663]\n", + " PeriodicSite: S (1.169, 16.29, 8.703) [0.05752, 0.8021, 0.4285]\n", + " PeriodicSite: S (1.085, 16.33, 19.05) [0.05343, 0.8041, 0.9376]\n", + " PeriodicSite: S (10.86, 6.562, 8.585) [0.5348, 0.323, 0.4227]\n", + " PeriodicSite: S (11.7, 6.215, 19.58) [0.576, 0.306, 0.9638]\n", + " PeriodicSite: S (11.19, 16.21, 8.533) [0.5508, 0.7982, 0.4201]\n", + " PeriodicSite: S (11.24, 16.0, 19.0) [0.5536, 0.7877, 0.9355]\n", + " PeriodicSite: S (6.261, 8.933, 1.505) [0.3082, 0.4398, 0.07411]\n", + " PeriodicSite: S (6.432, 8.542, 11.07) [0.3166, 0.4205, 0.5448]\n", + " PeriodicSite: S (6.307, 18.83, 0.7248) [0.3105, 0.9272, 0.03568]\n", + " PeriodicSite: S (6.001, 18.86, 11.38) [0.2954, 0.9283, 0.5601]\n", + " PeriodicSite: S (16.65, 9.116, 1.131) [0.8195, 0.4488, 0.0557]\n", + " PeriodicSite: S (16.29, 9.041, 11.67) [0.8021, 0.4451, 0.5747]\n", + " PeriodicSite: S (16.25, 19.08, 1.582) [0.7998, 0.9393, 0.07787]\n", + " PeriodicSite: S (16.35, 19.57, 11.03) [0.8052, 0.9634, 0.5431]\n", + " PeriodicSite: S (7.818, 7.98, 17.89) [0.3849, 0.3928, 0.881]\n", + " PeriodicSite: S (7.453, 17.56, 7.764) [0.3669, 0.8644, 0.3822]\n", + " PeriodicSite: S (18.03, 7.464, 7.79) [0.8878, 0.3675, 0.3835]\n", + " PeriodicSite: S (17.56, 17.72, 7.785) [0.8643, 0.8722, 0.3833]\n", + " PeriodicSite: P (5.217, 20.29, 20.18) [0.2568, 0.9988, 0.9935]\n", + " PeriodicSite: P (4.878, 20.1, 10.32) [0.2402, 0.9894, 0.5079]\n", + " PeriodicSite: P (5.016, 10.16, 0.2388) [0.2469, 0.5002, 0.01176]\n", + " PeriodicSite: P (5.135, 9.843, 9.951) [0.2528, 0.4846, 0.4899]\n", + " PeriodicSite: P (14.96, 0.06315, 0.297) [0.7364, 0.003102, 0.01463]\n", + " PeriodicSite: P (15.03, 0.4873, 9.978) [0.7399, 0.02399, 0.4912]\n", + " PeriodicSite: P (15.33, 10.16, 20.24) [0.7545, 0.5003, 0.9966]\n", + " PeriodicSite: P (15.3, 10.28, 10.28) [0.7533, 0.506, 0.506]\n", + " PeriodicSite: P (4.707, 5.137, 5.418) [0.2317, 0.2529, 0.2667]\n", + " PeriodicSite: P (5.28, 5.223, 15.42) [0.2599, 0.2571, 0.7589]\n", + " PeriodicSite: P (5.13, 15.03, 5.139) [0.2526, 0.7401, 0.253]\n", + " PeriodicSite: P (4.658, 15.49, 15.42) [0.2293, 0.7623, 0.7589]\n", + " PeriodicSite: P (15.49, 5.051, 4.943) [0.7624, 0.2487, 0.2434]\n", + " PeriodicSite: P (15.11, 5.13, 15.17) [0.744, 0.2525, 0.7469]\n", + " PeriodicSite: P (15.17, 15.26, 4.963) [0.7467, 0.7513, 0.2443]\n", + " PeriodicSite: P (15.2, 15.15, 15.22) [0.7484, 0.7457, 0.7494]\n", + " PeriodicSite: P (20.14, 20.18, 4.904) [0.9914, 0.9933, 0.2415]\n", + " PeriodicSite: P (19.96, 20.19, 15.27) [0.9826, 0.9939, 0.7519]\n", + " PeriodicSite: P (0.01787, 10.17, 5.069) [0.0008765, 0.5006, 0.2496]\n", + " PeriodicSite: P (0.19, 10.09, 15.52) [0.009352, 0.4966, 0.7643]\n", + " PeriodicSite: P (9.991, 0.1902, 4.895) [0.4919, 0.00936, 0.241]\n", + " PeriodicSite: P (10.26, 20.25, 15.23) [0.5052, 0.9969, 0.75]\n", + " PeriodicSite: P (10.49, 10.05, 4.886) [0.5163, 0.4949, 0.2406]\n", + " PeriodicSite: P (10.03, 10.21, 15.13) [0.4936, 0.5025, 0.745]\n", + " PeriodicSite: P (20.16, 5.419, 0.1161) [0.9925, 0.2668, 0.005723]\n", + " PeriodicSite: P (0.1283, 4.922, 10.49) [0.006317, 0.2423, 0.5164]\n", + " PeriodicSite: P (0.1757, 15.03, 20.26) [0.008646, 0.7397, 0.9976]\n", + " PeriodicSite: P (0.04544, 15.34, 10.22) [0.002233, 0.7553, 0.503]\n", + " PeriodicSite: P (10.32, 5.275, 0.3782) [0.5079, 0.2597, 0.01862]\n", + " PeriodicSite: P (9.773, 5.256, 9.766) [0.4812, 0.2588, 0.4808]\n", + " PeriodicSite: P (9.884, 14.95, 20.22) [0.4866, 0.7358, 0.9954]\n", + " PeriodicSite: P (10.23, 15.1, 9.991) [0.5038, 0.7433, 0.4919],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.404, 6.655, 4.968) [0.06912, 0.3277, 0.2446]\n", + " PeriodicSite: Li (19.76, 2.282, 13.11) [0.9726, 0.1123, 0.6456]\n", + " PeriodicSite: Li (0.3732, 12.23, 7.885) [0.01837, 0.6019, 0.3882]\n", + " PeriodicSite: Li (19.88, 12.94, 15.26) [0.9787, 0.6373, 0.7514]\n", + " PeriodicSite: Li (15.3, 1.945, 6.881) [0.753, 0.09576, 0.3388]\n", + " PeriodicSite: Li (11.97, 3.525, 15.47) [0.5891, 0.1735, 0.7615]\n", + " PeriodicSite: Li (14.92, 12.45, 6.308) [0.7344, 0.6127, 0.3106]\n", + " PeriodicSite: Li (15.51, 7.844, 15.83) [0.7636, 0.3862, 0.7791]\n", + " PeriodicSite: Li (4.109, 3.831, 8.163) [0.2023, 0.1886, 0.4019]\n", + " PeriodicSite: Li (2.487, 3.062, 20.1) [0.1224, 0.1508, 0.9894]\n", + " PeriodicSite: Li (4.632, 8.093, 3.599) [0.228, 0.3984, 0.1772]\n", + " PeriodicSite: Li (6.74, 10.11, 17.7) [0.3318, 0.4976, 0.8716]\n", + " PeriodicSite: Li (12.69, 3.772, 5.294) [0.6245, 0.1857, 0.2607]\n", + " PeriodicSite: Li (13.74, 0.1675, 16.64) [0.6764, 0.00824, 0.819]\n", + " PeriodicSite: Li (11.49, 10.28, 12.1) [0.5657, 0.5063, 0.5956]\n", + " PeriodicSite: Li (8.664, 18.59, 19.52) [0.4265, 0.915, 0.9608]\n", + " PeriodicSite: Li (6.419, 20.0, 7.331) [0.316, 0.9846, 0.3609]\n", + " PeriodicSite: Li (4.653, 18.44, 13.93) [0.2291, 0.9076, 0.686]\n", + " PeriodicSite: Li (2.847, 10.22, 4.149) [0.1402, 0.5032, 0.2043]\n", + " PeriodicSite: Li (5.494, 8.986, 13.44) [0.2705, 0.4424, 0.6618]\n", + " PeriodicSite: Li (11.76, 0.6454, 8.568) [0.579, 0.03177, 0.4218]\n", + " PeriodicSite: Li (10.39, 1.75, 18.68) [0.5114, 0.08616, 0.9195]\n", + " PeriodicSite: Li (13.19, 15.28, 8.428) [0.6492, 0.7523, 0.4149]\n", + " PeriodicSite: Li (12.51, 9.406, 0.6845) [0.6159, 0.4631, 0.0337]\n", + " PeriodicSite: Li (19.98, 5.623, 7.572) [0.9838, 0.2768, 0.3728]\n", + " PeriodicSite: Li (0.6363, 3.507, 17.06) [0.03133, 0.1727, 0.8401]\n", + " PeriodicSite: Li (2.097, 14.48, 6.083) [0.1032, 0.7131, 0.2995]\n", + " PeriodicSite: Li (3.176, 15.15, 18.36) [0.1564, 0.746, 0.9037]\n", + " PeriodicSite: Li (13.29, 0.6483, 6.053) [0.6545, 0.03191, 0.298]\n", + " PeriodicSite: Li (15.95, 2.256, 14.73) [0.7851, 0.1111, 0.7253]\n", + " PeriodicSite: Li (10.37, 12.06, 8.817) [0.5103, 0.5935, 0.4341]\n", + " PeriodicSite: Li (17.55, 16.12, 19.62) [0.8641, 0.7934, 0.966]\n", + " PeriodicSite: Li (3.768, 1.686, 4.89) [0.1855, 0.08302, 0.2407]\n", + " PeriodicSite: Li (0.3694, 17.1, 2.716) [0.01818, 0.8417, 0.1337]\n", + " PeriodicSite: Li (2.848, 14.54, 9.189) [0.1402, 0.7161, 0.4524]\n", + " PeriodicSite: Li (20.08, 17.58, 13.24) [0.9887, 0.8656, 0.6521]\n", + " PeriodicSite: Li (14.84, 4.412, 7.887) [0.7307, 0.2172, 0.3883]\n", + " PeriodicSite: Li (13.9, 6.245, 18.93) [0.6844, 0.3074, 0.9318]\n", + " PeriodicSite: Li (17.17, 15.38, 7.978) [0.8452, 0.7572, 0.3928]\n", + " PeriodicSite: Li (10.85, 12.19, 18.33) [0.5344, 0.6, 0.9023]\n", + " PeriodicSite: Li (0.6724, 2.599, 6.093) [0.0331, 0.1279, 0.3]\n", + " PeriodicSite: Li (1.892, 0.641, 18.79) [0.09314, 0.03156, 0.9249]\n", + " PeriodicSite: Li (3.424, 10.51, 7.093) [0.1685, 0.5176, 0.3492]\n", + " PeriodicSite: Li (17.68, 14.8, 3.452) [0.8703, 0.7288, 0.17]\n", + " PeriodicSite: Li (10.53, 3.103, 6.617) [0.5184, 0.1527, 0.3258]\n", + " PeriodicSite: Li (16.98, 20.26, 13.18) [0.8361, 0.9974, 0.649]\n", + " PeriodicSite: Li (13.51, 10.18, 7.271) [0.6652, 0.501, 0.358]\n", + " PeriodicSite: Li (14.11, 10.34, 17.42) [0.6947, 0.509, 0.8575]\n", + " PeriodicSite: Li (3.807, 12.56, 15.97) [0.1874, 0.6182, 0.7863]\n", + " PeriodicSite: Li (2.396, 11.39, 9.738) [0.118, 0.5609, 0.4794]\n", + " PeriodicSite: Li (2.624, 17.44, 4.839) [0.1292, 0.8584, 0.2382]\n", + " PeriodicSite: Li (2.14, 1.821, 9.855) [0.1053, 0.08964, 0.4852]\n", + " PeriodicSite: Li (13.05, 5.289, 0.9692) [0.6425, 0.2604, 0.04772]\n", + " PeriodicSite: Li (12.33, 7.481, 15.08) [0.6069, 0.3683, 0.7425]\n", + " PeriodicSite: Li (11.91, 12.78, 5.47) [0.5862, 0.6293, 0.2693]\n", + " PeriodicSite: Li (13.34, 18.17, 15.04) [0.6567, 0.8944, 0.7404]\n", + " PeriodicSite: Li (3.08, 6.061, 1.484) [0.1516, 0.2984, 0.07306]\n", + " PeriodicSite: Li (3.268, 5.167, 11.33) [0.1609, 0.2544, 0.558]\n", + " PeriodicSite: Li (6.647, 14.71, 18.9) [0.3272, 0.7244, 0.9303]\n", + " PeriodicSite: Li (2.415, 18.18, 15.36) [0.1189, 0.8951, 0.756]\n", + " PeriodicSite: Li (14.32, 2.664, 19.02) [0.7052, 0.1312, 0.9364]\n", + " PeriodicSite: Li (10.44, 7.091, 12.6) [0.514, 0.3491, 0.6203]\n", + " PeriodicSite: Li (10.42, 16.82, 2.613) [0.5131, 0.828, 0.1287]\n", + " PeriodicSite: Li (10.55, 16.98, 13.38) [0.5192, 0.8357, 0.6586]\n", + " PeriodicSite: Li (3.283, 10.25, 17.42) [0.1616, 0.5048, 0.8577]\n", + " PeriodicSite: Li (5.516, 6.93, 9.903) [0.2716, 0.3412, 0.4875]\n", + " PeriodicSite: Li (4.645, 18.77, 3.269) [0.2287, 0.9242, 0.1609]\n", + " PeriodicSite: Li (1.199, 18.32, 10.65) [0.059, 0.9021, 0.5244]\n", + " PeriodicSite: Li (11.0, 6.653, 3.175) [0.5415, 0.3275, 0.1563]\n", + " PeriodicSite: Li (14.84, 6.884, 11.75) [0.7308, 0.3389, 0.5786]\n", + " PeriodicSite: Li (11.23, 20.26, 2.014) [0.5529, 0.9972, 0.09918]\n", + " PeriodicSite: Li (13.61, 14.74, 11.55) [0.6699, 0.7256, 0.5684]\n", + " PeriodicSite: Li (2.048, 9.179, 0.4123) [0.1008, 0.4519, 0.0203]\n", + " PeriodicSite: Li (17.55, 5.126, 8.818) [0.864, 0.2524, 0.4341]\n", + " PeriodicSite: Li (2.161, 19.91, 2.0) [0.1064, 0.9803, 0.09847]\n", + " PeriodicSite: Li (2.062, 0.05272, 12.98) [0.1015, 0.002595, 0.6391]\n", + " PeriodicSite: Li (9.847, 7.185, 6.201) [0.4848, 0.3537, 0.3053]\n", + " PeriodicSite: Li (13.57, 12.05, 15.06) [0.6681, 0.5934, 0.7414]\n", + " PeriodicSite: Li (15.03, 17.1, 1.417) [0.7398, 0.8417, 0.06974]\n", + " PeriodicSite: Li (11.62, 15.7, 16.79) [0.5721, 0.7727, 0.8268]\n", + " PeriodicSite: Li (7.571, 10.04, 6.236) [0.3727, 0.4941, 0.307]\n", + " PeriodicSite: Li (20.23, 12.42, 12.33) [0.9959, 0.6115, 0.6068]\n", + " PeriodicSite: Li (19.76, 16.85, 6.538) [0.9729, 0.8296, 0.3219]\n", + " PeriodicSite: Li (5.372, 18.47, 17.33) [0.2645, 0.9092, 0.8532]\n", + " PeriodicSite: Li (16.28, 10.67, 2.775) [0.8016, 0.5253, 0.1366]\n", + " PeriodicSite: Li (11.84, 7.663, 10.13) [0.5829, 0.3773, 0.4988]\n", + " PeriodicSite: Li (12.98, 15.58, 0.4938) [0.6393, 0.7672, 0.02431]\n", + " PeriodicSite: Li (11.61, 18.11, 10.22) [0.5717, 0.8917, 0.5032]\n", + " PeriodicSite: Li (4.836, 3.576, 17.98) [0.2381, 0.176, 0.8853]\n", + " PeriodicSite: Li (3.101, 9.069, 14.95) [0.1526, 0.4465, 0.7362]\n", + " PeriodicSite: Li (7.291, 0.7146, 4.328) [0.3589, 0.03518, 0.2131]\n", + " PeriodicSite: Li (1.887, 15.75, 13.35) [0.09289, 0.7756, 0.6571]\n", + " PeriodicSite: Li (13.29, 9.782, 4.254) [0.6541, 0.4816, 0.2094]\n", + " PeriodicSite: Li (14.26, 9.567, 13.2) [0.7019, 0.471, 0.6496]\n", + " PeriodicSite: Li (12.28, 17.55, 4.791) [0.6047, 0.8642, 0.2359]\n", + " PeriodicSite: Li (17.99, 5.02, 14.01) [0.8855, 0.2471, 0.6896]\n", + " PeriodicSite: Li (6.467, 3.193, 20.31) [0.3184, 0.1572, 0.9997]\n", + " PeriodicSite: Li (9.541, 3.73, 13.28) [0.4697, 0.1836, 0.6535]\n", + " PeriodicSite: Li (8.303, 13.0, 5.107) [0.4088, 0.6402, 0.2514]\n", + " PeriodicSite: Li (6.958, 11.9, 15.25) [0.3426, 0.5858, 0.7509]\n", + " PeriodicSite: Li (18.6, 4.684, 3.223) [0.9158, 0.2306, 0.1587]\n", + " PeriodicSite: Li (12.79, 3.42, 9.972) [0.6297, 0.1683, 0.4909]\n", + " PeriodicSite: Li (19.84, 13.41, 3.031) [0.9767, 0.6604, 0.1492]\n", + " PeriodicSite: Li (17.44, 10.37, 13.6) [0.8586, 0.5105, 0.6694]\n", + " PeriodicSite: Li (6.778, 18.16, 5.175) [0.3337, 0.8938, 0.2548]\n", + " PeriodicSite: Li (7.165, 2.229, 15.16) [0.3528, 0.1097, 0.7465]\n", + " PeriodicSite: Li (3.405, 12.92, 20.26) [0.1676, 0.636, 0.9975]\n", + " PeriodicSite: Li (9.52, 13.63, 13.3) [0.4687, 0.6712, 0.6546]\n", + " PeriodicSite: Li (14.54, 19.78, 2.997) [0.716, 0.9737, 0.1476]\n", + " PeriodicSite: Li (18.92, 1.333, 10.15) [0.9312, 0.0656, 0.4998]\n", + " PeriodicSite: Li (17.23, 13.02, 0.249) [0.8484, 0.6412, 0.01226]\n", + " PeriodicSite: Li (17.01, 14.93, 11.04) [0.8376, 0.7352, 0.5435]\n", + " PeriodicSite: Li (9.269, 3.665, 3.299) [0.4563, 0.1804, 0.1624]\n", + " PeriodicSite: Li (9.248, 0.8872, 12.4) [0.4553, 0.04367, 0.6105]\n", + " PeriodicSite: Li (8.603, 14.65, 2.819) [0.4236, 0.7213, 0.1388]\n", + " PeriodicSite: Li (5.026, 13.0, 8.934) [0.2474, 0.6402, 0.4399]\n", + " PeriodicSite: Li (0.01003, 1.947, 2.175) [0.0004937, 0.09585, 0.1071]\n", + " PeriodicSite: Li (0.402, 7.829, 12.47) [0.01979, 0.3855, 0.6141]\n", + " PeriodicSite: Li (15.19, 13.73, 2.194) [0.7479, 0.6761, 0.108]\n", + " PeriodicSite: Li (16.28, 12.51, 14.5) [0.8014, 0.616, 0.7137]\n", + " PeriodicSite: Li (3.307, 20.2, 7.109) [0.1628, 0.9943, 0.35]\n", + " PeriodicSite: Li (7.664, 19.53, 16.0) [0.3773, 0.9616, 0.7879]\n", + " PeriodicSite: Li (6.06, 13.27, 1.338) [0.2983, 0.6531, 0.0659]\n", + " PeriodicSite: Li (8.653, 6.845, 15.42) [0.426, 0.337, 0.7591]\n", + " PeriodicSite: Li (17.65, 3.981, 0.5864) [0.8688, 0.196, 0.02888]\n", + " PeriodicSite: Li (14.69, 17.09, 11.7) [0.7233, 0.8413, 0.576]\n", + " PeriodicSite: Li (14.67, 13.73, 18.31) [0.7224, 0.6757, 0.9015]\n", + " PeriodicSite: Li (17.92, 11.53, 10.68) [0.8823, 0.5674, 0.5257]\n", + " PeriodicSite: Li (8.657, 8.021, 20.28) [0.4262, 0.3949, 0.9986]\n", + " PeriodicSite: Li (5.849, 0.5057, 12.97) [0.288, 0.02489, 0.6388]\n", + " PeriodicSite: Li (10.15, 12.15, 2.306) [0.4995, 0.5984, 0.1135]\n", + " PeriodicSite: Li (7.066, 11.77, 11.22) [0.3479, 0.5794, 0.5525]\n", + " PeriodicSite: Li (15.35, 3.105, 1.762) [0.7557, 0.1529, 0.08674]\n", + " PeriodicSite: Li (15.71, 3.048, 10.99) [0.7733, 0.15, 0.5409]\n", + " PeriodicSite: Li (0.2676, 12.18, 19.04) [0.01318, 0.5996, 0.9374]\n", + " PeriodicSite: Li (17.85, 15.09, 13.97) [0.8788, 0.7429, 0.6875]\n", + " PeriodicSite: Li (4.864, 3.615, 2.105) [0.2395, 0.178, 0.1036]\n", + " PeriodicSite: Li (7.211, 2.716, 10.52) [0.355, 0.1337, 0.518]\n", + " PeriodicSite: Li (6.099, 16.39, 1.393) [0.3003, 0.807, 0.06856]\n", + " PeriodicSite: Li (4.078, 17.3, 11.11) [0.2007, 0.8515, 0.5471]\n", + " PeriodicSite: Li (17.94, 0.5837, 0.8776) [0.883, 0.02873, 0.04321]\n", + " PeriodicSite: Li (2.435, 5.975, 14.77) [0.1199, 0.2941, 0.727]\n", + " PeriodicSite: Li (4.581, 12.26, 6.114) [0.2255, 0.6038, 0.301]\n", + " PeriodicSite: Li (14.72, 12.99, 9.502) [0.7246, 0.6396, 0.4678]\n", + " PeriodicSite: Li (17.46, 12.29, 4.82) [0.8594, 0.6052, 0.2373]\n", + " PeriodicSite: Li (5.848, 7.985, 15.97) [0.2879, 0.3931, 0.7862]\n", + " PeriodicSite: Li (5.471, 14.4, 12.5) [0.2693, 0.7088, 0.6153]\n", + " PeriodicSite: Li (3.293, 16.94, 0.2861) [0.1621, 0.8337, 0.01409]\n", + " PeriodicSite: Li (17.47, 9.676, 7.082) [0.86, 0.4764, 0.3486]\n", + " PeriodicSite: Li (2.931, 5.687, 18.47) [0.1443, 0.28, 0.9095]\n", + " PeriodicSite: Li (16.0, 2.43, 4.06) [0.7879, 0.1196, 0.1999]\n", + " PeriodicSite: Li (18.46, 20.08, 18.37) [0.9087, 0.9886, 0.9041]\n", + " PeriodicSite: Li (5.228, 7.852, 6.519) [0.2574, 0.3865, 0.321]\n", + " PeriodicSite: Li (7.816, 5.564, 18.0) [0.3848, 0.2739, 0.8863]\n", + " PeriodicSite: Li (8.251, 18.3, 10.2) [0.4062, 0.9009, 0.5022]\n", + " PeriodicSite: Li (8.41, 16.06, 15.73) [0.414, 0.7906, 0.7742]\n", + " PeriodicSite: Li (17.51, 7.469, 10.35) [0.8622, 0.3677, 0.5096]\n", + " PeriodicSite: Li (18.62, 8.458, 19.88) [0.9168, 0.4164, 0.9789]\n", + " PeriodicSite: Li (17.42, 19.9, 6.671) [0.8574, 0.9796, 0.3284]\n", + " PeriodicSite: Li (19.69, 16.39, 17.33) [0.9694, 0.8067, 0.853]\n", + " PeriodicSite: Li (7.035, 5.065, 8.039) [0.3463, 0.2493, 0.3958]\n", + " PeriodicSite: Li (3.488, 2.088, 15.29) [0.1717, 0.1028, 0.753]\n", + " PeriodicSite: Li (7.355, 15.77, 10.16) [0.3621, 0.7766, 0.5003]\n", + " PeriodicSite: Li (17.16, 10.47, 17.11) [0.8447, 0.5152, 0.8425]\n", + " PeriodicSite: Li (0.3051, 8.443, 8.59) [0.01502, 0.4157, 0.4229]\n", + " PeriodicSite: Li (17.3, 5.569, 18.56) [0.8517, 0.2742, 0.9139]\n", + " PeriodicSite: Li (15.18, 17.52, 8.747) [0.7474, 0.8624, 0.4306]\n", + " PeriodicSite: Li (15.48, 17.14, 18.7) [0.7623, 0.8438, 0.9208]\n", + " PeriodicSite: Li (8.17, 8.338, 9.702) [0.4022, 0.4105, 0.4776]\n", + " PeriodicSite: Li (7.008, 5.579, 1.964) [0.345, 0.2747, 0.09669]\n", + " PeriodicSite: Li (5.106, 16.82, 8.397) [0.2514, 0.8279, 0.4134]\n", + " PeriodicSite: Li (8.184, 11.43, 0.4631) [0.4029, 0.5625, 0.0228]\n", + " PeriodicSite: Li (15.64, 6.981, 8.451) [0.7698, 0.3437, 0.4161]\n", + " PeriodicSite: Li (19.92, 7.164, 17.02) [0.9806, 0.3527, 0.8379]\n", + " PeriodicSite: Li (16.35, 17.8, 5.354) [0.8049, 0.8763, 0.2636]\n", + " PeriodicSite: Li (16.99, 18.5, 15.56) [0.8364, 0.9106, 0.7659]\n", + " PeriodicSite: Li (6.502, 4.949, 12.45) [0.3201, 0.2436, 0.6128]\n", + " PeriodicSite: Li (5.674, 7.175, 19.55) [0.2793, 0.3533, 0.9627]\n", + " PeriodicSite: Li (9.569, 18.12, 6.7) [0.4711, 0.8923, 0.3298]\n", + " PeriodicSite: Li (12.3, 18.57, 0.1516) [0.6054, 0.9141, 0.007466]\n", + " PeriodicSite: Li (15.41, 7.966, 5.478) [0.7587, 0.3922, 0.2697]\n", + " PeriodicSite: Li (15.28, 7.108, 1.368) [0.7523, 0.3499, 0.06733]\n", + " PeriodicSite: Li (18.29, 18.61, 9.43) [0.9003, 0.916, 0.4643]\n", + " PeriodicSite: Li (17.56, 0.08681, 3.903) [0.8643, 0.004266, 0.1922]\n", + " PeriodicSite: Li (6.495, 10.67, 3.394) [0.3197, 0.5253, 0.1671]\n", + " PeriodicSite: Li (9.843, 8.845, 18.1) [0.4846, 0.4355, 0.8912]\n", + " PeriodicSite: Li (7.75, 15.42, 7.401) [0.3815, 0.7592, 0.3644]\n", + " PeriodicSite: Li (4.566, 0.6285, 17.33) [0.2248, 0.03094, 0.8534]\n", + " PeriodicSite: Li (18.4, 7.373, 5.511) [0.9057, 0.363, 0.2713]\n", + " PeriodicSite: Li (19.78, 10.67, 2.294) [0.9739, 0.5251, 0.1129]\n", + " PeriodicSite: Li (3.25, 15.3, 2.335) [0.16, 0.7531, 0.1149]\n", + " PeriodicSite: Li (13.33, 0.5696, 13.53) [0.6561, 0.02804, 0.6663]\n", + " PeriodicSite: Cl (7.393, 12.99, 13.08) [0.364, 0.6393, 0.6439]\n", + " PeriodicSite: Cl (2.671, 12.69, 18.08) [0.1315, 0.6249, 0.8903]\n", + " PeriodicSite: Cl (12.54, 17.39, 12.67) [0.6176, 0.8563, 0.6238]\n", + " PeriodicSite: Cl (17.67, 7.766, 17.83) [0.87, 0.3823, 0.8779]\n", + " PeriodicSite: Cl (7.061, 3.336, 2.715) [0.3476, 0.1642, 0.1337]\n", + " PeriodicSite: Cl (7.239, 7.521, 7.806) [0.3564, 0.3703, 0.3843]\n", + " PeriodicSite: Cl (13.01, 12.49, 7.645) [0.6407, 0.6148, 0.3764]\n", + " PeriodicSite: Cl (2.634, 7.778, 2.877) [0.1296, 0.3829, 0.1417]\n", + " PeriodicSite: Cl (2.655, 7.317, 12.9) [0.1307, 0.3602, 0.635]\n", + " PeriodicSite: Cl (12.98, 12.46, 17.56) [0.6392, 0.6134, 0.8647]\n", + " PeriodicSite: Cl (17.62, 17.85, 18.11) [0.8672, 0.8786, 0.8916]\n", + " PeriodicSite: Cl (2.746, 1.952, 7.5) [0.1352, 0.09612, 0.3693]\n", + " PeriodicSite: Cl (12.76, 2.206, 17.55) [0.628, 0.1086, 0.8639]\n", + " PeriodicSite: Cl (13.08, 7.487, 2.113) [0.6438, 0.3686, 0.104]\n", + " PeriodicSite: Cl (17.59, 2.482, 12.36) [0.8659, 0.1222, 0.6087]\n", + " PeriodicSite: Cl (7.496, 17.86, 17.46) [0.369, 0.8793, 0.8597]\n", + " PeriodicSite: Cl (20.23, 0.8367, 0.3057) [0.996, 0.04118, 0.01506]\n", + " PeriodicSite: Cl (0.2736, 0.07363, 10.6) [0.01347, 0.003625, 0.5217]\n", + " PeriodicSite: Cl (20.11, 10.28, 0.008437) [0.9898, 0.506, 0.0004217]\n", + " PeriodicSite: Cl (20.24, 10.73, 9.795) [0.9966, 0.528, 0.4822]\n", + " PeriodicSite: Cl (10.41, 20.09, 0.0262) [0.5126, 0.9893, 0.001294]\n", + " PeriodicSite: Cl (10.01, 19.92, 10.2) [0.4928, 0.9808, 0.5021]\n", + " PeriodicSite: Cl (10.28, 10.57, 0.007386) [0.5059, 0.5202, 0.0003673]\n", + " PeriodicSite: Cl (10.15, 9.889, 10.05) [0.4996, 0.4868, 0.4949]\n", + " PeriodicSite: Cl (0.04765, 4.879, 5.495) [0.002345, 0.2402, 0.2705]\n", + " PeriodicSite: Cl (0.1657, 5.194, 15.61) [0.008158, 0.2557, 0.7686]\n", + " PeriodicSite: Cl (0.07112, 15.04, 4.876) [0.003496, 0.7404, 0.2401]\n", + " PeriodicSite: Cl (20.0, 15.58, 15.12) [0.9848, 0.767, 0.7443]\n", + " PeriodicSite: Cl (10.49, 5.246, 4.954) [0.5166, 0.2583, 0.2439]\n", + " PeriodicSite: Cl (10.39, 5.302, 14.82) [0.5116, 0.261, 0.7294]\n", + " PeriodicSite: Cl (9.99, 15.52, 4.551) [0.4918, 0.7641, 0.224]\n", + " PeriodicSite: Cl (10.32, 15.43, 14.97) [0.5082, 0.7595, 0.7372]\n", + " PeriodicSite: S (5.092, 20.24, 5.177) [0.2507, 0.9964, 0.2549]\n", + " PeriodicSite: S (5.11, 0.0935, 15.26) [0.2516, 0.004602, 0.7511]\n", + " PeriodicSite: S (5.158, 10.09, 5.333) [0.2539, 0.4968, 0.2625]\n", + " PeriodicSite: S (4.886, 10.37, 15.89) [0.2406, 0.5104, 0.7824]\n", + " PeriodicSite: S (15.45, 0.1089, 5.099) [0.7607, 0.005354, 0.2511]\n", + " PeriodicSite: S (15.29, 20.12, 14.82) [0.7525, 0.9908, 0.7296]\n", + " PeriodicSite: S (15.46, 10.19, 5.465) [0.7611, 0.5016, 0.2691]\n", + " PeriodicSite: S (15.31, 10.21, 15.28) [0.7538, 0.5027, 0.7523]\n", + " PeriodicSite: S (4.84, 5.079, 20.08) [0.2383, 0.25, 0.9888]\n", + " PeriodicSite: S (5.349, 4.644, 9.998) [0.2633, 0.2286, 0.4922]\n", + " PeriodicSite: S (4.649, 15.0, 0.01697) [0.2289, 0.7384, 0.0008377]\n", + " PeriodicSite: S (5.206, 15.27, 10.08) [0.2563, 0.7516, 0.4962]\n", + " PeriodicSite: S (15.22, 4.687, 0.04031) [0.7494, 0.2308, 0.001989]\n", + " PeriodicSite: S (15.3, 5.078, 9.914) [0.753, 0.25, 0.4881]\n", + " PeriodicSite: S (15.39, 15.31, 20.31) [0.7575, 0.7537, 1.0]\n", + " PeriodicSite: S (15.2, 15.5, 10.02) [0.7481, 0.763, 0.4934]\n", + " PeriodicSite: S (9.03, 3.504, 8.814) [0.4445, 0.1725, 0.4339]\n", + " PeriodicSite: S (8.711, 4.153, 19.57) [0.4289, 0.2045, 0.9633]\n", + " PeriodicSite: S (8.639, 13.93, 9.26) [0.4253, 0.6859, 0.4559]\n", + " PeriodicSite: S (9.011, 14.06, 18.79) [0.4436, 0.692, 0.9252]\n", + " PeriodicSite: S (19.63, 3.674, 9.053) [0.9666, 0.1809, 0.4457]\n", + " PeriodicSite: S (19.19, 4.265, 18.93) [0.9446, 0.21, 0.9317]\n", + " PeriodicSite: S (18.77, 14.03, 9.203) [0.9242, 0.6907, 0.4531]\n", + " PeriodicSite: S (18.85, 14.28, 18.89) [0.9282, 0.703, 0.93]\n", + " PeriodicSite: S (4.069, 0.7683, 1.539) [0.2003, 0.03782, 0.07576]\n", + " PeriodicSite: S (3.885, 0.6601, 11.64) [0.1913, 0.0325, 0.5732]\n", + " PeriodicSite: S (3.755, 11.03, 1.493) [0.1848, 0.5428, 0.0735]\n", + " PeriodicSite: S (4.491, 11.39, 11.27) [0.2211, 0.5609, 0.555]\n", + " PeriodicSite: S (13.88, 1.047, 0.9964) [0.6832, 0.05152, 0.04906]\n", + " PeriodicSite: S (13.89, 1.363, 11.1) [0.6841, 0.06711, 0.5463]\n", + " PeriodicSite: S (14.1, 11.3, 1.162) [0.6941, 0.5564, 0.05721]\n", + " PeriodicSite: S (14.01, 11.33, 11.39) [0.6898, 0.5575, 0.5606]\n", + " PeriodicSite: S (5.991, 0.8609, 9.073) [0.2949, 0.04238, 0.4467]\n", + " PeriodicSite: S (6.106, 0.9833, 19.33) [0.3006, 0.04841, 0.9519]\n", + " PeriodicSite: S (6.57, 11.14, 8.872) [0.3235, 0.5484, 0.4368]\n", + " PeriodicSite: S (5.978, 11.78, 19.41) [0.2943, 0.5799, 0.9554]\n", + " PeriodicSite: S (16.3, 1.066, 8.745) [0.8026, 0.05245, 0.4305]\n", + " PeriodicSite: S (16.58, 1.112, 19.4) [0.8163, 0.05474, 0.9552]\n", + " PeriodicSite: S (16.37, 11.12, 8.897) [0.8059, 0.5475, 0.438]\n", + " PeriodicSite: S (16.2, 11.5, 19.06) [0.7976, 0.5661, 0.9381]\n", + " PeriodicSite: S (1.152, 4.363, 1.326) [0.05671, 0.2148, 0.06529]\n", + " PeriodicSite: S (1.221, 3.579, 11.78) [0.06011, 0.1762, 0.5798]\n", + " PeriodicSite: S (0.9175, 13.45, 0.8096) [0.04516, 0.6622, 0.03986]\n", + " PeriodicSite: S (1.14, 14.16, 11.31) [0.05612, 0.6969, 0.5567]\n", + " PeriodicSite: S (11.18, 3.893, 1.556) [0.5503, 0.1916, 0.07661]\n", + " PeriodicSite: S (11.35, 4.48, 11.41) [0.5585, 0.2206, 0.5617]\n", + " PeriodicSite: S (10.97, 14.23, 1.298) [0.5401, 0.7004, 0.06391]\n", + " PeriodicSite: S (11.64, 13.96, 10.47) [0.5729, 0.6871, 0.5156]\n", + " PeriodicSite: S (2.749, 2.672, 17.74) [0.1353, 0.1315, 0.8734]\n", + " PeriodicSite: S (2.796, 12.75, 7.877) [0.1376, 0.6279, 0.3878]\n", + " PeriodicSite: S (12.92, 2.747, 7.351) [0.6359, 0.1353, 0.3619]\n", + " PeriodicSite: S (8.859, 8.96, 4.282) [0.4361, 0.4411, 0.2108]\n", + " PeriodicSite: S (8.806, 8.957, 14.24) [0.4336, 0.441, 0.701]\n", + " PeriodicSite: S (9.046, 19.22, 3.928) [0.4453, 0.9462, 0.1934]\n", + " PeriodicSite: S (9.091, 19.22, 14.1) [0.4476, 0.9461, 0.6939]\n", + " PeriodicSite: S (19.25, 8.974, 4.066) [0.9477, 0.4418, 0.2002]\n", + " PeriodicSite: S (19.39, 8.818, 14.21) [0.9548, 0.4341, 0.6998]\n", + " PeriodicSite: S (19.45, 18.93, 3.606) [0.9575, 0.9317, 0.1775]\n", + " PeriodicSite: S (18.95, 19.38, 14.17) [0.933, 0.9542, 0.6975]\n", + " PeriodicSite: S (3.692, 6.138, 6.372) [0.1817, 0.3022, 0.3137]\n", + " PeriodicSite: S (4.252, 6.52, 16.76) [0.2093, 0.321, 0.8249]\n", + " PeriodicSite: S (3.707, 16.19, 6.495) [0.1825, 0.797, 0.3197]\n", + " PeriodicSite: S (4.008, 16.69, 16.63) [0.1973, 0.8216, 0.8188]\n", + " PeriodicSite: S (14.28, 6.101, 6.395) [0.7031, 0.3003, 0.3149]\n", + " PeriodicSite: S (14.14, 6.236, 16.52) [0.6961, 0.307, 0.8132]\n", + " PeriodicSite: S (13.72, 16.37, 6.297) [0.6756, 0.8058, 0.31]\n", + " PeriodicSite: S (13.86, 16.48, 16.3) [0.6824, 0.8113, 0.8024]\n", + " PeriodicSite: S (5.871, 6.254, 3.927) [0.289, 0.3079, 0.1933]\n", + " PeriodicSite: S (6.436, 6.676, 14.24) [0.3169, 0.3287, 0.7009]\n", + " PeriodicSite: S (6.02, 16.22, 3.798) [0.2964, 0.7984, 0.187]\n", + " PeriodicSite: S (6.222, 16.36, 14.18) [0.3063, 0.8053, 0.6981]\n", + " PeriodicSite: S (16.88, 6.35, 3.833) [0.8308, 0.3126, 0.1887]\n", + " PeriodicSite: S (16.23, 6.696, 13.81) [0.7992, 0.3296, 0.6797]\n", + " PeriodicSite: S (16.02, 16.35, 3.662) [0.7884, 0.8048, 0.1803]\n", + " PeriodicSite: S (16.12, 16.74, 13.99) [0.7937, 0.8239, 0.6886]\n", + " PeriodicSite: S (1.273, 8.882, 6.236) [0.06265, 0.4373, 0.307]\n", + " PeriodicSite: S (1.457, 8.824, 16.5) [0.07174, 0.4344, 0.8121]\n", + " PeriodicSite: S (1.327, 18.76, 6.211) [0.06532, 0.9236, 0.3058]\n", + " PeriodicSite: S (0.5577, 19.04, 16.89) [0.02745, 0.9374, 0.8317]\n", + " PeriodicSite: S (11.79, 8.624, 5.633) [0.5806, 0.4245, 0.2773]\n", + " PeriodicSite: S (11.52, 9.453, 16.47) [0.5671, 0.4654, 0.8106]\n", + " PeriodicSite: S (11.4, 19.52, 6.244) [0.5612, 0.9608, 0.3074]\n", + " PeriodicSite: S (11.67, 19.29, 16.29) [0.5746, 0.9498, 0.8022]\n", + " PeriodicSite: S (2.692, 17.47, 2.636) [0.1325, 0.8598, 0.1298]\n", + " PeriodicSite: S (2.509, 17.95, 12.82) [0.1235, 0.8839, 0.631]\n", + " PeriodicSite: S (12.63, 8.101, 12.66) [0.6218, 0.3988, 0.6231]\n", + " PeriodicSite: S (12.76, 17.78, 2.344) [0.6282, 0.8753, 0.1154]\n", + " PeriodicSite: S (3.353, 3.989, 3.778) [0.1651, 0.1964, 0.186]\n", + " PeriodicSite: S (4.377, 4.154, 14.25) [0.2155, 0.2045, 0.7013]\n", + " PeriodicSite: S (4.071, 13.74, 4.022) [0.2004, 0.6763, 0.198]\n", + " PeriodicSite: S (3.756, 14.2, 14.19) [0.1849, 0.6989, 0.6986]\n", + " PeriodicSite: S (14.27, 4.513, 3.579) [0.7025, 0.2222, 0.1762]\n", + " PeriodicSite: S (14.27, 3.82, 13.93) [0.7027, 0.188, 0.6858]\n", + " PeriodicSite: S (13.84, 13.77, 4.125) [0.6813, 0.6781, 0.2031]\n", + " PeriodicSite: S (14.15, 14.12, 13.87) [0.6966, 0.6953, 0.683]\n", + " PeriodicSite: S (8.658, 1.365, 6.094) [0.4263, 0.06721, 0.3]\n", + " PeriodicSite: S (9.121, 1.032, 16.68) [0.449, 0.0508, 0.8209]\n", + " PeriodicSite: S (9.618, 11.35, 6.381) [0.4735, 0.5586, 0.3141]\n", + " PeriodicSite: S (8.669, 11.23, 16.66) [0.4268, 0.5529, 0.8203]\n", + " PeriodicSite: S (19.24, 0.7896, 6.293) [0.9474, 0.03886, 0.3098]\n", + " PeriodicSite: S (18.67, 1.359, 16.59) [0.9193, 0.06691, 0.8166]\n", + " PeriodicSite: S (19.12, 11.49, 6.503) [0.9414, 0.5654, 0.3202]\n", + " PeriodicSite: S (19.48, 11.09, 16.94) [0.9591, 0.546, 0.8337]\n", + " PeriodicSite: S (1.28, 1.208, 4.217) [0.06304, 0.05947, 0.2076]\n", + " PeriodicSite: S (1.053, 1.246, 14.74) [0.05187, 0.06133, 0.7257]\n", + " PeriodicSite: S (0.9894, 11.7, 4.225) [0.04871, 0.5758, 0.208]\n", + " PeriodicSite: S (1.358, 11.45, 14.26) [0.06684, 0.5638, 0.702]\n", + " PeriodicSite: S (11.04, 1.751, 3.866) [0.5437, 0.08619, 0.1903]\n", + " PeriodicSite: S (11.16, 1.641, 14.03) [0.5492, 0.08079, 0.6909]\n", + " PeriodicSite: S (11.53, 11.16, 3.806) [0.5674, 0.5497, 0.1874]\n", + " PeriodicSite: S (10.84, 11.71, 14.2) [0.5336, 0.5764, 0.699]\n", + " PeriodicSite: S (5.624, 3.459, 5.924) [0.2769, 0.1703, 0.2916]\n", + " PeriodicSite: S (6.62, 4.001, 16.63) [0.3259, 0.197, 0.8187]\n", + " PeriodicSite: S (6.268, 13.97, 6.291) [0.3086, 0.6879, 0.3097]\n", + " PeriodicSite: S (6.018, 13.95, 16.61) [0.2963, 0.6866, 0.8176]\n", + " PeriodicSite: S (16.68, 3.904, 6.152) [0.8213, 0.1922, 0.3029]\n", + " PeriodicSite: S (16.82, 4.219, 16.0) [0.8282, 0.2077, 0.7878]\n", + " PeriodicSite: S (16.47, 14.04, 6.129) [0.8109, 0.6912, 0.3017]\n", + " PeriodicSite: S (16.39, 14.38, 16.44) [0.8068, 0.7077, 0.8094]\n", + " PeriodicSite: S (7.602, 2.529, 12.83) [0.3742, 0.1245, 0.6314]\n", + " PeriodicSite: S (7.777, 12.46, 2.71) [0.3829, 0.6134, 0.1334]\n", + " PeriodicSite: S (17.72, 2.624, 2.642) [0.8725, 0.1292, 0.1301]\n", + " PeriodicSite: S (17.8, 12.59, 2.576) [0.8763, 0.6197, 0.1268]\n", + " PeriodicSite: S (17.92, 12.7, 12.99) [0.8822, 0.6252, 0.6394]\n", + " PeriodicSite: S (4.055, 8.762, 8.733) [0.1996, 0.4314, 0.4299]\n", + " PeriodicSite: S (4.1, 8.877, 19.3) [0.2019, 0.437, 0.9503]\n", + " PeriodicSite: S (3.554, 18.69, 9.227) [0.175, 0.9203, 0.4543]\n", + " PeriodicSite: S (3.479, 19.12, 19.16) [0.1713, 0.9413, 0.9432]\n", + " PeriodicSite: S (13.98, 8.939, 9.162) [0.6881, 0.4401, 0.4511]\n", + " PeriodicSite: S (13.99, 8.963, 19.16) [0.6886, 0.4412, 0.9431]\n", + " PeriodicSite: S (13.49, 19.34, 8.822) [0.6642, 0.9524, 0.4343]\n", + " PeriodicSite: S (14.11, 19.19, 19.03) [0.6946, 0.9448, 0.9367]\n", + " PeriodicSite: S (9.142, 6.504, 1.642) [0.4501, 0.3202, 0.08085]\n", + " PeriodicSite: S (8.751, 6.21, 11.0) [0.4308, 0.3057, 0.5413]\n", + " PeriodicSite: S (8.604, 16.53, 0.7104) [0.4236, 0.814, 0.03498]\n", + " PeriodicSite: S (9.385, 16.54, 11.16) [0.462, 0.8145, 0.5496]\n", + " PeriodicSite: S (18.99, 6.468, 1.107) [0.9351, 0.3184, 0.05452]\n", + " PeriodicSite: S (18.82, 5.617, 11.8) [0.9266, 0.2765, 0.5808]\n", + " PeriodicSite: S (18.97, 15.98, 1.42) [0.9339, 0.7867, 0.06991]\n", + " PeriodicSite: S (18.91, 16.6, 11.24) [0.9311, 0.8172, 0.5531]\n", + " PeriodicSite: S (1.067, 6.259, 9.804) [0.05251, 0.3081, 0.4827]\n", + " PeriodicSite: S (1.095, 6.694, 19.17) [0.0539, 0.3296, 0.9439]\n", + " PeriodicSite: S (1.045, 16.38, 8.891) [0.05143, 0.8064, 0.4377]\n", + " PeriodicSite: S (1.11, 16.36, 19.38) [0.05464, 0.8053, 0.9539]\n", + " PeriodicSite: S (10.97, 6.154, 8.462) [0.5399, 0.303, 0.4166]\n", + " PeriodicSite: S (11.35, 6.216, 19.45) [0.5588, 0.306, 0.9576]\n", + " PeriodicSite: S (11.14, 16.43, 8.4) [0.5486, 0.8089, 0.4135]\n", + " PeriodicSite: S (11.3, 16.54, 19.25) [0.5561, 0.8143, 0.9476]\n", + " PeriodicSite: S (6.694, 9.389, 1.094) [0.3296, 0.4622, 0.05386]\n", + " PeriodicSite: S (6.332, 8.793, 11.18) [0.3117, 0.4329, 0.5505]\n", + " PeriodicSite: S (6.172, 18.52, 0.8517) [0.3038, 0.9119, 0.04193]\n", + " PeriodicSite: S (6.163, 18.87, 11.46) [0.3034, 0.929, 0.5643]\n", + " PeriodicSite: S (16.71, 9.183, 0.8727) [0.8225, 0.4521, 0.04297]\n", + " PeriodicSite: S (16.6, 9.02, 11.39) [0.817, 0.4441, 0.5605]\n", + " PeriodicSite: S (16.27, 19.1, 1.489) [0.8011, 0.9402, 0.07329]\n", + " PeriodicSite: S (16.11, 18.97, 10.96) [0.7929, 0.9339, 0.5398]\n", + " PeriodicSite: S (7.495, 7.741, 17.99) [0.369, 0.3811, 0.8858]\n", + " PeriodicSite: S (7.609, 17.66, 7.545) [0.3746, 0.8696, 0.3715]\n", + " PeriodicSite: S (18.02, 7.305, 7.826) [0.8872, 0.3596, 0.3853]\n", + " PeriodicSite: S (17.46, 17.71, 7.301) [0.8596, 0.872, 0.3594]\n", + " PeriodicSite: P (4.899, 19.89, 0.07204) [0.2412, 0.9791, 0.00355]\n", + " PeriodicSite: P (4.888, 19.9, 10.22) [0.2406, 0.9798, 0.5034]\n", + " PeriodicSite: P (5.124, 10.21, 0.146) [0.2522, 0.5026, 0.007188]\n", + " PeriodicSite: P (5.219, 9.948, 9.942) [0.2569, 0.4897, 0.4894]\n", + " PeriodicSite: P (15.31, 20.22, 0.08952) [0.7539, 0.9954, 0.004413]\n", + " PeriodicSite: P (14.9, 0.03134, 9.936) [0.7335, 0.001537, 0.4892]\n", + " PeriodicSite: P (15.21, 10.22, 20.28) [0.7486, 0.5033, 0.9986]\n", + " PeriodicSite: P (15.22, 10.08, 10.26) [0.7491, 0.496, 0.5051]\n", + " PeriodicSite: P (4.746, 5.015, 5.013) [0.2337, 0.2469, 0.2468]\n", + " PeriodicSite: P (5.396, 5.229, 15.48) [0.2657, 0.2574, 0.762]\n", + " PeriodicSite: P (5.016, 15.11, 5.165) [0.2469, 0.7437, 0.2543]\n", + " PeriodicSite: P (5.026, 15.39, 15.4) [0.2474, 0.7578, 0.7582]\n", + " PeriodicSite: P (15.55, 5.254, 5.017) [0.7658, 0.2587, 0.247]\n", + " PeriodicSite: P (15.28, 5.243, 15.06) [0.7523, 0.2581, 0.7412]\n", + " PeriodicSite: P (14.92, 15.18, 5.107) [0.7347, 0.7473, 0.2514]\n", + " PeriodicSite: P (15.15, 15.36, 15.13) [0.7458, 0.7562, 0.7449]\n", + " PeriodicSite: P (0.1023, 19.89, 5.101) [0.00503, 0.9793, 0.2511]\n", + " PeriodicSite: P (20.0, 0.1089, 15.7) [0.9846, 0.005355, 0.7731]\n", + " PeriodicSite: P (20.27, 10.19, 5.342) [0.9981, 0.5015, 0.263]\n", + " PeriodicSite: P (0.2139, 10.06, 15.38) [0.01053, 0.4953, 0.7572]\n", + " PeriodicSite: P (10.05, 0.2786, 5.004) [0.4947, 0.01371, 0.2464]\n", + " PeriodicSite: P (10.37, 0.09545, 15.29) [0.5107, 0.004696, 0.7528]\n", + " PeriodicSite: P (10.41, 10.0, 5.068) [0.5126, 0.4923, 0.2495]\n", + " PeriodicSite: P (9.914, 10.24, 15.35) [0.4881, 0.504, 0.7555]\n", + " PeriodicSite: P (20.23, 5.358, 0.08195) [0.996, 0.2638, 0.00404]\n", + " PeriodicSite: P (0.02983, 4.825, 10.6) [0.001469, 0.2375, 0.522]\n", + " PeriodicSite: P (20.18, 14.99, 0.001761) [0.9933, 0.7379, 9.344e-05]\n", + " PeriodicSite: P (20.11, 15.32, 10.12) [0.99, 0.754, 0.4981]\n", + " PeriodicSite: P (10.1, 5.175, 0.3114) [0.4973, 0.2548, 0.01533]\n", + " PeriodicSite: P (10.05, 4.996, 9.892) [0.4946, 0.2459, 0.487]\n", + " PeriodicSite: P (9.955, 15.31, 20.13) [0.4901, 0.7535, 0.9911]\n", + " PeriodicSite: P (10.19, 15.21, 9.838) [0.5018, 0.7488, 0.4844],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.701, 6.392, 4.685) [0.08376, 0.3147, 0.2307]\n", + " PeriodicSite: Li (20.07, 2.335, 12.7) [0.9879, 0.1149, 0.6253]\n", + " PeriodicSite: Li (0.5356, 12.63, 8.469) [0.02637, 0.622, 0.4169]\n", + " PeriodicSite: Li (19.8, 12.97, 14.43) [0.9747, 0.6385, 0.7104]\n", + " PeriodicSite: Li (14.81, 1.33, 7.304) [0.729, 0.06546, 0.3596]\n", + " PeriodicSite: Li (12.38, 3.688, 15.23) [0.6093, 0.1816, 0.7496]\n", + " PeriodicSite: Li (15.05, 12.13, 5.896) [0.7408, 0.5972, 0.2903]\n", + " PeriodicSite: Li (15.61, 7.994, 15.85) [0.7684, 0.3935, 0.7802]\n", + " PeriodicSite: Li (4.331, 4.201, 8.025) [0.2132, 0.2068, 0.3951]\n", + " PeriodicSite: Li (1.872, 2.255, 0.05151) [0.09214, 0.111, 0.002537]\n", + " PeriodicSite: Li (4.74, 8.143, 3.225) [0.2333, 0.4009, 0.1588]\n", + " PeriodicSite: Li (6.92, 10.15, 17.55) [0.3407, 0.4997, 0.864]\n", + " PeriodicSite: Li (12.52, 4.146, 5.628) [0.6164, 0.2041, 0.2771]\n", + " PeriodicSite: Li (14.15, 0.4425, 16.95) [0.6967, 0.02178, 0.8343]\n", + " PeriodicSite: Li (10.88, 9.636, 12.53) [0.5356, 0.4744, 0.6167]\n", + " PeriodicSite: Li (7.866, 19.36, 19.77) [0.3873, 0.953, 0.9735]\n", + " PeriodicSite: Li (6.965, 20.18, 7.047) [0.3429, 0.9935, 0.347]\n", + " PeriodicSite: Li (5.056, 18.45, 14.3) [0.2489, 0.9083, 0.7042]\n", + " PeriodicSite: Li (3.162, 10.19, 3.781) [0.1557, 0.5017, 0.1862]\n", + " PeriodicSite: Li (6.119, 9.114, 13.69) [0.3012, 0.4487, 0.674]\n", + " PeriodicSite: Li (11.95, 0.7238, 8.575) [0.5885, 0.03563, 0.4222]\n", + " PeriodicSite: Li (10.76, 1.613, 18.37) [0.5296, 0.07938, 0.9045]\n", + " PeriodicSite: Li (12.88, 14.98, 8.015) [0.6342, 0.7374, 0.3946]\n", + " PeriodicSite: Li (12.46, 9.296, 0.3356) [0.6135, 0.4577, 0.01652]\n", + " PeriodicSite: Li (19.75, 5.671, 7.974) [0.9721, 0.2792, 0.3926]\n", + " PeriodicSite: Li (0.4556, 3.402, 17.21) [0.02243, 0.1675, 0.8471]\n", + " PeriodicSite: Li (1.809, 13.33, 5.334) [0.08906, 0.6561, 0.2626]\n", + " PeriodicSite: Li (3.08, 15.1, 18.37) [0.1516, 0.7433, 0.9043]\n", + " PeriodicSite: Li (13.0, 1.074, 5.563) [0.6401, 0.05287, 0.2739]\n", + " PeriodicSite: Li (15.94, 2.302, 14.99) [0.7847, 0.1133, 0.7379]\n", + " PeriodicSite: Li (10.37, 12.23, 9.24) [0.5107, 0.6023, 0.4549]\n", + " PeriodicSite: Li (17.26, 16.82, 20.11) [0.8496, 0.8279, 0.99]\n", + " PeriodicSite: Li (3.718, 1.448, 5.597) [0.183, 0.07127, 0.2755]\n", + " PeriodicSite: Li (0.4037, 16.73, 3.256) [0.01987, 0.8237, 0.1603]\n", + " PeriodicSite: Li (2.563, 14.56, 9.451) [0.1262, 0.717, 0.4653]\n", + " PeriodicSite: Li (20.08, 17.47, 13.51) [0.9885, 0.8603, 0.6651]\n", + " PeriodicSite: Li (14.38, 4.574, 7.528) [0.7077, 0.2252, 0.3706]\n", + " PeriodicSite: Li (13.69, 6.041, 18.7) [0.6741, 0.2974, 0.9208]\n", + " PeriodicSite: Li (16.89, 15.33, 8.194) [0.8317, 0.7546, 0.4034]\n", + " PeriodicSite: Li (10.77, 12.08, 18.48) [0.53, 0.5945, 0.9096]\n", + " PeriodicSite: Li (0.9544, 2.681, 5.867) [0.04699, 0.132, 0.2888]\n", + " PeriodicSite: Li (1.173, 0.7973, 18.33) [0.05776, 0.03925, 0.9022]\n", + " PeriodicSite: Li (3.253, 10.28, 6.941) [0.1602, 0.5061, 0.3417]\n", + " PeriodicSite: Li (17.7, 14.87, 3.943) [0.8714, 0.7322, 0.1941]\n", + " PeriodicSite: Li (10.49, 3.41, 7.322) [0.5163, 0.1679, 0.3605]\n", + " PeriodicSite: Li (16.49, 20.26, 12.98) [0.812, 0.9975, 0.6391]\n", + " PeriodicSite: Li (14.03, 9.904, 7.164) [0.6908, 0.4876, 0.3527]\n", + " PeriodicSite: Li (14.24, 10.71, 17.44) [0.7011, 0.5275, 0.8587]\n", + " PeriodicSite: Li (3.465, 11.82, 15.24) [0.1706, 0.5821, 0.7504]\n", + " PeriodicSite: Li (2.695, 10.99, 9.505) [0.1327, 0.5409, 0.4679]\n", + " PeriodicSite: Li (3.213, 17.98, 4.988) [0.1582, 0.8851, 0.2456]\n", + " PeriodicSite: Li (1.532, 2.037, 9.761) [0.07544, 0.1003, 0.4806]\n", + " PeriodicSite: Li (12.44, 6.025, 0.7561) [0.6123, 0.2966, 0.03723]\n", + " PeriodicSite: Li (12.12, 7.151, 14.79) [0.5969, 0.3521, 0.728]\n", + " PeriodicSite: Li (11.88, 13.66, 5.302) [0.5848, 0.6727, 0.261]\n", + " PeriodicSite: Li (13.87, 18.63, 14.46) [0.6829, 0.9171, 0.7117]\n", + " PeriodicSite: Li (3.447, 5.562, 1.749) [0.1697, 0.2738, 0.0861]\n", + " PeriodicSite: Li (3.54, 5.433, 11.69) [0.1743, 0.2675, 0.5755]\n", + " PeriodicSite: Li (6.208, 14.92, 18.92) [0.3056, 0.7344, 0.9315]\n", + " PeriodicSite: Li (2.318, 18.1, 15.02) [0.1141, 0.8913, 0.7394]\n", + " PeriodicSite: Li (14.58, 3.174, 19.07) [0.718, 0.1562, 0.9388]\n", + " PeriodicSite: Li (10.65, 6.313, 12.54) [0.5245, 0.3108, 0.6174]\n", + " PeriodicSite: Li (10.47, 17.59, 2.774) [0.5155, 0.8659, 0.1366]\n", + " PeriodicSite: Li (10.92, 17.5, 14.35) [0.5378, 0.8616, 0.7067]\n", + " PeriodicSite: Li (3.27, 10.48, 17.44) [0.161, 0.5158, 0.8588]\n", + " PeriodicSite: Li (5.346, 7.277, 9.696) [0.2632, 0.3583, 0.4774]\n", + " PeriodicSite: Li (4.354, 19.25, 2.974) [0.2143, 0.9478, 0.1464]\n", + " PeriodicSite: Li (1.409, 18.28, 10.13) [0.06934, 0.8998, 0.4987]\n", + " PeriodicSite: Li (11.05, 7.338, 3.926) [0.5441, 0.3613, 0.1933]\n", + " PeriodicSite: Li (13.79, 5.875, 11.91) [0.679, 0.2892, 0.5865]\n", + " PeriodicSite: Li (11.41, 20.16, 1.894) [0.5617, 0.9927, 0.09325]\n", + " PeriodicSite: Li (13.31, 14.75, 11.62) [0.6554, 0.7261, 0.5721]\n", + " PeriodicSite: Li (2.102, 8.881, 0.9136) [0.1035, 0.4372, 0.04498]\n", + " PeriodicSite: Li (17.24, 4.824, 8.464) [0.8489, 0.2375, 0.4167]\n", + " PeriodicSite: Li (1.541, 19.48, 2.733) [0.07585, 0.9592, 0.1346]\n", + " PeriodicSite: Li (1.663, 19.94, 12.56) [0.08185, 0.9816, 0.6183]\n", + " PeriodicSite: Li (10.13, 6.981, 6.77) [0.4989, 0.3437, 0.3333]\n", + " PeriodicSite: Li (13.73, 12.23, 15.25) [0.6761, 0.6021, 0.7507]\n", + " PeriodicSite: Li (14.93, 17.11, 1.614) [0.735, 0.8426, 0.07944]\n", + " PeriodicSite: Li (11.23, 15.14, 17.02) [0.553, 0.7453, 0.8379]\n", + " PeriodicSite: Li (7.366, 9.756, 6.907) [0.3626, 0.4803, 0.3401]\n", + " PeriodicSite: Li (0.1627, 11.74, 11.88) [0.008005, 0.578, 0.5847]\n", + " PeriodicSite: Li (19.03, 17.45, 5.764) [0.937, 0.8588, 0.2838]\n", + " PeriodicSite: Li (5.34, 18.52, 17.16) [0.2629, 0.9119, 0.8446]\n", + " PeriodicSite: Li (15.9, 10.53, 2.891) [0.7829, 0.5186, 0.1423]\n", + " PeriodicSite: Li (11.8, 8.168, 10.33) [0.5811, 0.4021, 0.5087]\n", + " PeriodicSite: Li (12.83, 16.31, 0.6714) [0.6318, 0.803, 0.03306]\n", + " PeriodicSite: Li (11.51, 18.0, 10.4) [0.5665, 0.8864, 0.5118]\n", + " PeriodicSite: Li (5.21, 3.487, 18.63) [0.2565, 0.1717, 0.917]\n", + " PeriodicSite: Li (3.248, 8.461, 15.16) [0.1599, 0.4165, 0.7464]\n", + " PeriodicSite: Li (7.099, 1.411, 4.485) [0.3495, 0.06948, 0.2208]\n", + " PeriodicSite: Li (1.774, 15.3, 13.63) [0.08734, 0.7531, 0.6709]\n", + " PeriodicSite: Li (13.11, 9.822, 3.956) [0.6454, 0.4835, 0.1947]\n", + " PeriodicSite: Li (14.23, 9.262, 13.19) [0.7007, 0.456, 0.6495]\n", + " PeriodicSite: Li (12.37, 17.86, 4.628) [0.6089, 0.8792, 0.2278]\n", + " PeriodicSite: Li (18.62, 5.311, 14.51) [0.9167, 0.2615, 0.7141]\n", + " PeriodicSite: Li (7.053, 2.866, 0.2312) [0.3472, 0.1411, 0.01138]\n", + " PeriodicSite: Li (9.743, 3.261, 13.24) [0.4796, 0.1606, 0.6519]\n", + " PeriodicSite: Li (8.134, 12.56, 5.276) [0.4005, 0.6185, 0.2598]\n", + " PeriodicSite: Li (7.032, 12.03, 14.9) [0.3462, 0.5922, 0.7335]\n", + " PeriodicSite: Li (18.87, 5.185, 2.947) [0.9291, 0.2552, 0.1451]\n", + " PeriodicSite: Li (12.95, 3.89, 9.671) [0.6376, 0.1915, 0.4761]\n", + " PeriodicSite: Li (19.87, 12.83, 2.99) [0.9785, 0.6317, 0.1472]\n", + " PeriodicSite: Li (17.34, 10.27, 13.7) [0.8539, 0.5058, 0.6745]\n", + " PeriodicSite: Li (6.259, 17.91, 5.798) [0.3081, 0.8819, 0.2854]\n", + " PeriodicSite: Li (7.361, 2.403, 14.87) [0.3624, 0.1183, 0.7322]\n", + " PeriodicSite: Li (3.017, 12.94, 20.19) [0.1485, 0.6372, 0.994]\n", + " PeriodicSite: Li (9.924, 14.09, 12.97) [0.4885, 0.6937, 0.6386]\n", + " PeriodicSite: Li (14.82, 19.94, 2.813) [0.7298, 0.9818, 0.1385]\n", + " PeriodicSite: Li (18.55, 1.346, 10.39) [0.9131, 0.06625, 0.5116]\n", + " PeriodicSite: Li (17.19, 13.75, 0.5884) [0.8461, 0.6771, 0.02897]\n", + " PeriodicSite: Li (17.06, 13.77, 10.89) [0.8398, 0.6777, 0.536]\n", + " PeriodicSite: Li (9.579, 3.446, 3.274) [0.4716, 0.1696, 0.1612]\n", + " PeriodicSite: Li (9.143, 0.9164, 12.4) [0.4501, 0.04511, 0.6103]\n", + " PeriodicSite: Li (8.114, 15.09, 3.179) [0.3995, 0.7429, 0.1565]\n", + " PeriodicSite: Li (4.817, 13.26, 8.428) [0.2372, 0.6528, 0.4149]\n", + " PeriodicSite: Li (20.21, 2.423, 2.396) [0.995, 0.1193, 0.118]\n", + " PeriodicSite: Li (0.693, 7.392, 12.19) [0.03412, 0.3639, 0.5999]\n", + " PeriodicSite: Li (14.72, 13.28, 1.771) [0.7244, 0.6538, 0.08721]\n", + " PeriodicSite: Li (16.25, 12.79, 14.11) [0.8002, 0.6297, 0.6948]\n", + " PeriodicSite: Li (3.513, 20.09, 7.432) [0.173, 0.989, 0.3659]\n", + " PeriodicSite: Li (7.665, 19.93, 15.82) [0.3774, 0.9812, 0.7791]\n", + " PeriodicSite: Li (5.313, 13.45, 2.079) [0.2616, 0.6622, 0.1023]\n", + " PeriodicSite: Li (8.901, 7.246, 15.69) [0.4382, 0.3567, 0.7725]\n", + " PeriodicSite: Li (17.56, 4.02, 0.3579) [0.8646, 0.1979, 0.01763]\n", + " PeriodicSite: Li (15.19, 16.6, 11.63) [0.7476, 0.8174, 0.5728]\n", + " PeriodicSite: Li (14.85, 13.58, 18.46) [0.7312, 0.6685, 0.9089]\n", + " PeriodicSite: Li (17.89, 11.08, 10.41) [0.8807, 0.5453, 0.5125]\n", + " PeriodicSite: Li (8.912, 7.839, 0.04455) [0.4387, 0.3859, 0.002196]\n", + " PeriodicSite: Li (5.809, 1.04, 13.05) [0.286, 0.05121, 0.6426]\n", + " PeriodicSite: Li (10.02, 13.11, 2.334) [0.4932, 0.6455, 0.1149]\n", + " PeriodicSite: Li (7.382, 11.97, 10.98) [0.3634, 0.5895, 0.5404]\n", + " PeriodicSite: Li (15.52, 3.128, 1.647) [0.7639, 0.154, 0.08107]\n", + " PeriodicSite: Li (15.73, 3.5, 11.7) [0.7745, 0.1723, 0.5758]\n", + " PeriodicSite: Li (19.72, 11.53, 18.84) [0.9706, 0.5678, 0.9274]\n", + " PeriodicSite: Li (18.07, 15.2, 13.68) [0.8894, 0.7483, 0.6735]\n", + " PeriodicSite: Li (4.669, 2.882, 2.185) [0.2298, 0.1419, 0.1076]\n", + " PeriodicSite: Li (6.594, 2.703, 10.71) [0.3246, 0.1331, 0.5273]\n", + " PeriodicSite: Li (5.361, 16.67, 1.649) [0.2639, 0.8207, 0.0812]\n", + " PeriodicSite: Li (4.133, 17.0, 11.55) [0.2035, 0.8369, 0.5686]\n", + " PeriodicSite: Li (18.22, 0.6368, 0.4798) [0.8969, 0.03134, 0.02363]\n", + " PeriodicSite: Li (2.447, 5.864, 14.82) [0.1205, 0.2887, 0.7297]\n", + " PeriodicSite: Li (4.579, 12.3, 5.671) [0.2254, 0.6055, 0.2792]\n", + " PeriodicSite: Li (14.36, 12.62, 9.242) [0.707, 0.6213, 0.455]\n", + " PeriodicSite: Li (17.41, 11.67, 4.755) [0.8572, 0.5747, 0.2341]\n", + " PeriodicSite: Li (5.691, 7.978, 16.79) [0.2802, 0.3927, 0.8266]\n", + " PeriodicSite: Li (5.338, 14.08, 12.37) [0.2628, 0.6929, 0.6089]\n", + " PeriodicSite: Li (2.95, 17.21, 0.1598) [0.1452, 0.8471, 0.007867]\n", + " PeriodicSite: Li (17.21, 9.337, 6.91) [0.8475, 0.4597, 0.3402]\n", + " PeriodicSite: Li (3.275, 4.982, 18.8) [0.1612, 0.2453, 0.9256]\n", + " PeriodicSite: Li (16.26, 2.475, 4.262) [0.8007, 0.1218, 0.2098]\n", + " PeriodicSite: Li (18.45, 19.79, 17.79) [0.9082, 0.9742, 0.8756]\n", + " PeriodicSite: Li (4.96, 7.932, 6.505) [0.2442, 0.3905, 0.3202]\n", + " PeriodicSite: Li (8.062, 5.411, 18.15) [0.3969, 0.2664, 0.8937]\n", + " PeriodicSite: Li (7.952, 19.26, 9.589) [0.3915, 0.9484, 0.4721]\n", + " PeriodicSite: Li (8.16, 15.9, 16.15) [0.4017, 0.7829, 0.7948]\n", + " PeriodicSite: Li (17.07, 6.898, 10.46) [0.8404, 0.3396, 0.515]\n", + " PeriodicSite: Li (18.72, 8.315, 19.99) [0.9217, 0.4094, 0.9842]\n", + " PeriodicSite: Li (17.56, 19.93, 6.963) [0.8647, 0.9813, 0.3428]\n", + " PeriodicSite: Li (19.57, 16.45, 17.12) [0.9636, 0.81, 0.8429]\n", + " PeriodicSite: Li (7.447, 5.469, 9.371) [0.3666, 0.2692, 0.4614]\n", + " PeriodicSite: Li (3.222, 2.15, 15.47) [0.1586, 0.1058, 0.7614]\n", + " PeriodicSite: Li (7.296, 15.37, 10.46) [0.3592, 0.7565, 0.5148]\n", + " PeriodicSite: Li (17.23, 10.27, 16.79) [0.8483, 0.5056, 0.8265]\n", + " PeriodicSite: Li (19.87, 9.141, 8.43) [0.9784, 0.45, 0.415]\n", + " PeriodicSite: Li (17.08, 5.374, 18.45) [0.8407, 0.2646, 0.9083]\n", + " PeriodicSite: Li (15.12, 17.18, 8.462) [0.7446, 0.8458, 0.4166]\n", + " PeriodicSite: Li (14.94, 16.67, 18.53) [0.7356, 0.8205, 0.9121]\n", + " PeriodicSite: Li (8.492, 8.407, 9.797) [0.4181, 0.4139, 0.4823]\n", + " PeriodicSite: Li (6.726, 5.008, 1.793) [0.3311, 0.2466, 0.08825]\n", + " PeriodicSite: Li (5.224, 16.57, 8.491) [0.2572, 0.8157, 0.418]\n", + " PeriodicSite: Li (7.729, 11.33, 0.9168) [0.3805, 0.5579, 0.04514]\n", + " PeriodicSite: Li (15.9, 7.055, 8.342) [0.7826, 0.3473, 0.4107]\n", + " PeriodicSite: Li (19.89, 7.358, 16.45) [0.9792, 0.3622, 0.8099]\n", + " PeriodicSite: Li (15.77, 18.29, 5.607) [0.7766, 0.9003, 0.2761]\n", + " PeriodicSite: Li (16.7, 18.63, 15.59) [0.822, 0.9173, 0.7676]\n", + " PeriodicSite: Li (6.616, 4.984, 12.22) [0.3257, 0.2453, 0.6017]\n", + " PeriodicSite: Li (5.939, 7.068, 19.78) [0.2924, 0.348, 0.974]\n", + " PeriodicSite: Li (9.671, 17.58, 6.328) [0.4761, 0.8653, 0.3115]\n", + " PeriodicSite: Li (11.93, 18.83, 20.02) [0.5875, 0.9272, 0.9858]\n", + " PeriodicSite: Li (15.5, 8.013, 4.992) [0.7632, 0.3945, 0.2458]\n", + " PeriodicSite: Li (15.8, 6.623, 1.735) [0.7778, 0.3261, 0.08543]\n", + " PeriodicSite: Li (18.01, 17.62, 9.679) [0.8868, 0.8676, 0.4765]\n", + " PeriodicSite: Li (17.8, 0.6604, 4.466) [0.8763, 0.0325, 0.2199]\n", + " PeriodicSite: Li (6.993, 10.59, 3.957) [0.3443, 0.5214, 0.1948]\n", + " PeriodicSite: Li (9.909, 9.055, 18.21) [0.4878, 0.4458, 0.8966]\n", + " PeriodicSite: Li (7.77, 15.68, 7.129) [0.3825, 0.7722, 0.351]\n", + " PeriodicSite: Li (4.365, 0.6626, 17.61) [0.2149, 0.03262, 0.8672]\n", + " PeriodicSite: Li (18.86, 7.093, 5.771) [0.9284, 0.3492, 0.2841]\n", + " PeriodicSite: Li (18.25, 10.37, 1.699) [0.8984, 0.5103, 0.08364]\n", + " PeriodicSite: Li (3.204, 15.38, 1.95) [0.1578, 0.757, 0.09602]\n", + " PeriodicSite: Li (13.57, 1.482, 13.37) [0.6679, 0.07293, 0.658]\n", + " PeriodicSite: Cl (7.612, 12.89, 12.96) [0.3748, 0.6345, 0.638]\n", + " PeriodicSite: Cl (2.776, 12.8, 17.61) [0.1367, 0.6301, 0.8668]\n", + " PeriodicSite: Cl (12.97, 17.52, 12.35) [0.6387, 0.8625, 0.6079]\n", + " PeriodicSite: Cl (17.79, 7.895, 17.5) [0.8757, 0.3887, 0.8615]\n", + " PeriodicSite: Cl (7.068, 2.518, 2.504) [0.3479, 0.124, 0.1233]\n", + " PeriodicSite: Cl (7.51, 7.172, 7.563) [0.3697, 0.3531, 0.3723]\n", + " PeriodicSite: Cl (12.96, 12.49, 7.397) [0.6381, 0.615, 0.3642]\n", + " PeriodicSite: Cl (2.513, 7.921, 2.955) [0.1237, 0.39, 0.1455]\n", + " PeriodicSite: Cl (2.704, 7.415, 13.11) [0.1331, 0.365, 0.6452]\n", + " PeriodicSite: Cl (12.91, 12.96, 17.53) [0.6355, 0.6378, 0.8631]\n", + " PeriodicSite: Cl (17.47, 17.52, 17.61) [0.86, 0.8627, 0.8671]\n", + " PeriodicSite: Cl (2.641, 2.484, 7.931) [0.13, 0.1223, 0.3904]\n", + " PeriodicSite: Cl (13.02, 2.587, 17.54) [0.6409, 0.1273, 0.8636]\n", + " PeriodicSite: Cl (12.95, 7.728, 2.35) [0.6374, 0.3804, 0.1157]\n", + " PeriodicSite: Cl (17.79, 2.09, 12.67) [0.8758, 0.1029, 0.6239]\n", + " PeriodicSite: Cl (7.44, 18.29, 17.57) [0.3663, 0.9004, 0.865]\n", + " PeriodicSite: Cl (0.3959, 0.2614, 0.3298) [0.01949, 0.01287, 0.01624]\n", + " PeriodicSite: Cl (0.2391, 0.1226, 10.79) [0.01177, 0.006037, 0.5314]\n", + " PeriodicSite: Cl (0.09345, 9.926, 0.2083) [0.004596, 0.4887, 0.01026]\n", + " PeriodicSite: Cl (0.3142, 10.3, 10.23) [0.01547, 0.5069, 0.5037]\n", + " PeriodicSite: Cl (10.1, 20.3, 20.21) [0.497, 0.9996, 0.9948]\n", + " PeriodicSite: Cl (10.24, 20.02, 10.3) [0.504, 0.9855, 0.5069]\n", + " PeriodicSite: Cl (10.14, 9.996, 20.07) [0.499, 0.4921, 0.9883]\n", + " PeriodicSite: Cl (10.23, 9.916, 10.17) [0.5036, 0.4882, 0.5008]\n", + " PeriodicSite: Cl (20.18, 5.042, 5.122) [0.9937, 0.2482, 0.2522]\n", + " PeriodicSite: Cl (0.2168, 5.226, 15.58) [0.01068, 0.2573, 0.7672]\n", + " PeriodicSite: Cl (19.78, 15.38, 4.799) [0.9737, 0.757, 0.2363]\n", + " PeriodicSite: Cl (20.05, 15.34, 14.74) [0.9872, 0.7552, 0.7258]\n", + " PeriodicSite: Cl (10.21, 5.148, 5.139) [0.5025, 0.2534, 0.253]\n", + " PeriodicSite: Cl (10.51, 5.57, 14.95) [0.5176, 0.2742, 0.7359]\n", + " PeriodicSite: Cl (10.25, 15.33, 4.752) [0.5047, 0.755, 0.2339]\n", + " PeriodicSite: Cl (9.891, 15.41, 14.98) [0.4869, 0.7588, 0.7374]\n", + " PeriodicSite: S (4.986, 19.85, 5.288) [0.2455, 0.9773, 0.2603]\n", + " PeriodicSite: S (4.933, 0.2086, 15.36) [0.2429, 0.01027, 0.7564]\n", + " PeriodicSite: S (5.028, 9.962, 5.191) [0.2475, 0.4905, 0.2556]\n", + " PeriodicSite: S (5.071, 10.05, 15.57) [0.2496, 0.4948, 0.7665]\n", + " PeriodicSite: S (15.45, 0.3244, 5.107) [0.7606, 0.01596, 0.2515]\n", + " PeriodicSite: S (15.21, 0.2683, 14.82) [0.7487, 0.0132, 0.7295]\n", + " PeriodicSite: S (15.39, 10.24, 4.951) [0.7578, 0.504, 0.2437]\n", + " PeriodicSite: S (15.33, 10.41, 15.3) [0.7546, 0.5123, 0.753]\n", + " PeriodicSite: S (5.208, 4.74, 0.2032) [0.2564, 0.2333, 0.01001]\n", + " PeriodicSite: S (5.336, 5.03, 10.05) [0.2627, 0.2476, 0.4947]\n", + " PeriodicSite: S (4.585, 15.09, 0.2818) [0.2257, 0.7429, 0.01388]\n", + " PeriodicSite: S (4.942, 15.02, 10.28) [0.2433, 0.7395, 0.506]\n", + " PeriodicSite: S (15.3, 5.091, 20.18) [0.7531, 0.2506, 0.9935]\n", + " PeriodicSite: S (15.39, 5.057, 9.787) [0.7577, 0.249, 0.4818]\n", + " PeriodicSite: S (15.11, 15.25, 0.1663) [0.7439, 0.7507, 0.008191]\n", + " PeriodicSite: S (14.92, 15.08, 9.808) [0.7343, 0.7422, 0.4828]\n", + " PeriodicSite: S (9.198, 3.503, 9.456) [0.4528, 0.1725, 0.4655]\n", + " PeriodicSite: S (9.005, 3.535, 19.47) [0.4433, 0.174, 0.9584]\n", + " PeriodicSite: S (8.704, 14.2, 8.9) [0.4285, 0.6993, 0.4382]\n", + " PeriodicSite: S (9.206, 14.44, 18.47) [0.4532, 0.7111, 0.9092]\n", + " PeriodicSite: S (19.18, 3.727, 9.315) [0.9443, 0.1835, 0.4586]\n", + " PeriodicSite: S (19.22, 4.068, 19.07) [0.946, 0.2003, 0.9389]\n", + " PeriodicSite: S (18.84, 13.87, 9.21) [0.9277, 0.6827, 0.4534]\n", + " PeriodicSite: S (18.86, 13.99, 19.24) [0.9286, 0.6887, 0.9472]\n", + " PeriodicSite: S (3.494, 0.8811, 1.428) [0.172, 0.04338, 0.07031]\n", + " PeriodicSite: S (3.707, 0.9393, 11.57) [0.1825, 0.04624, 0.5697]\n", + " PeriodicSite: S (3.775, 11.2, 1.505) [0.1858, 0.5512, 0.07411]\n", + " PeriodicSite: S (4.516, 11.61, 11.14) [0.2223, 0.5716, 0.5487]\n", + " PeriodicSite: S (14.23, 1.123, 0.9527) [0.7006, 0.05529, 0.04691]\n", + " PeriodicSite: S (14.2, 1.402, 11.0) [0.699, 0.06901, 0.5417]\n", + " PeriodicSite: S (14.12, 11.02, 1.396) [0.695, 0.5424, 0.06871]\n", + " PeriodicSite: S (13.94, 11.34, 11.34) [0.6863, 0.558, 0.5582]\n", + " PeriodicSite: S (6.097, 0.9007, 9.149) [0.3002, 0.04434, 0.4504]\n", + " PeriodicSite: S (6.118, 1.273, 19.2) [0.3012, 0.06265, 0.9454]\n", + " PeriodicSite: S (6.662, 11.24, 8.843) [0.328, 0.5531, 0.4354]\n", + " PeriodicSite: S (6.12, 11.6, 19.73) [0.3013, 0.571, 0.9715]\n", + " PeriodicSite: S (16.56, 0.8086, 8.903) [0.8151, 0.0398, 0.4383]\n", + " PeriodicSite: S (16.52, 1.267, 19.03) [0.8134, 0.06236, 0.9367]\n", + " PeriodicSite: S (16.1, 10.98, 8.759) [0.7924, 0.5407, 0.4312]\n", + " PeriodicSite: S (16.22, 11.4, 19.17) [0.7984, 0.5611, 0.9438]\n", + " PeriodicSite: S (1.007, 4.24, 1.252) [0.04956, 0.2087, 0.06165]\n", + " PeriodicSite: S (1.463, 3.686, 11.43) [0.07202, 0.1815, 0.5628]\n", + " PeriodicSite: S (1.118, 13.67, 1.207) [0.05506, 0.6731, 0.05941]\n", + " PeriodicSite: S (1.087, 13.96, 11.23) [0.05353, 0.6873, 0.5529]\n", + " PeriodicSite: S (11.29, 4.256, 1.588) [0.5558, 0.2095, 0.07816]\n", + " PeriodicSite: S (11.51, 4.286, 11.53) [0.5668, 0.211, 0.5674]\n", + " PeriodicSite: S (11.42, 14.45, 0.9656) [0.5624, 0.7112, 0.04754]\n", + " PeriodicSite: S (11.3, 13.81, 10.81) [0.5565, 0.6797, 0.5324]\n", + " PeriodicSite: S (2.81, 2.81, 18.11) [0.1383, 0.1383, 0.8915]\n", + " PeriodicSite: S (2.695, 12.51, 7.566) [0.1327, 0.6161, 0.3725]\n", + " PeriodicSite: S (12.78, 2.634, 7.428) [0.6292, 0.1297, 0.3657]\n", + " PeriodicSite: S (8.822, 8.834, 4.549) [0.4343, 0.4349, 0.224]\n", + " PeriodicSite: S (8.996, 9.249, 13.99) [0.4429, 0.4553, 0.6887]\n", + " PeriodicSite: S (8.882, 19.18, 4.149) [0.4373, 0.9443, 0.2043]\n", + " PeriodicSite: S (9.025, 19.55, 14.05) [0.4443, 0.9623, 0.6916]\n", + " PeriodicSite: S (18.92, 9.039, 4.172) [0.9313, 0.445, 0.2054]\n", + " PeriodicSite: S (19.25, 8.845, 14.18) [0.9477, 0.4354, 0.6979]\n", + " PeriodicSite: S (19.42, 19.24, 4.001) [0.956, 0.9471, 0.197]\n", + " PeriodicSite: S (18.79, 19.35, 14.57) [0.9248, 0.9527, 0.7172]\n", + " PeriodicSite: S (3.668, 5.815, 6.334) [0.1806, 0.2863, 0.3118]\n", + " PeriodicSite: S (3.951, 6.301, 16.49) [0.1945, 0.3102, 0.812]\n", + " PeriodicSite: S (3.732, 16.05, 6.121) [0.1837, 0.7902, 0.3013]\n", + " PeriodicSite: S (4.106, 16.57, 16.51) [0.2021, 0.8157, 0.8129]\n", + " PeriodicSite: S (14.02, 6.45, 5.984) [0.6903, 0.3175, 0.2946]\n", + " PeriodicSite: S (13.95, 6.081, 16.11) [0.6869, 0.2993, 0.7932]\n", + " PeriodicSite: S (13.76, 16.33, 6.24) [0.6773, 0.8037, 0.3072]\n", + " PeriodicSite: S (13.84, 16.56, 16.21) [0.6816, 0.8151, 0.7982]\n", + " PeriodicSite: S (6.019, 6.188, 3.624) [0.2963, 0.3046, 0.1784]\n", + " PeriodicSite: S (6.582, 6.601, 14.19) [0.3241, 0.325, 0.6988]\n", + " PeriodicSite: S (6.36, 16.32, 3.977) [0.3131, 0.8035, 0.1958]\n", + " PeriodicSite: S (6.339, 16.22, 13.91) [0.3121, 0.7984, 0.6847]\n", + " PeriodicSite: S (16.85, 6.409, 4.034) [0.8293, 0.3155, 0.1986]\n", + " PeriodicSite: S (16.42, 6.559, 13.87) [0.8084, 0.3229, 0.6829]\n", + " PeriodicSite: S (16.01, 16.22, 3.789) [0.7883, 0.7986, 0.1865]\n", + " PeriodicSite: S (16.3, 16.65, 14.13) [0.8023, 0.8199, 0.6956]\n", + " PeriodicSite: S (1.101, 9.019, 6.536) [0.05418, 0.444, 0.3218]\n", + " PeriodicSite: S (1.287, 8.984, 16.65) [0.06337, 0.4423, 0.8198]\n", + " PeriodicSite: S (1.215, 18.93, 6.565) [0.05981, 0.9317, 0.3232]\n", + " PeriodicSite: S (0.945, 19.22, 16.75) [0.04652, 0.9463, 0.8245]\n", + " PeriodicSite: S (11.64, 8.726, 5.902) [0.5728, 0.4296, 0.2906]\n", + " PeriodicSite: S (11.46, 8.916, 16.24) [0.564, 0.4389, 0.7994]\n", + " PeriodicSite: S (11.31, 19.42, 6.427) [0.5566, 0.9559, 0.3164]\n", + " PeriodicSite: S (11.81, 19.24, 15.75) [0.5813, 0.947, 0.7755]\n", + " PeriodicSite: S (2.631, 17.49, 2.508) [0.1295, 0.8611, 0.1235]\n", + " PeriodicSite: S (2.305, 17.54, 12.98) [0.1135, 0.8634, 0.6392]\n", + " PeriodicSite: S (12.4, 7.893, 12.57) [0.6102, 0.3886, 0.6188]\n", + " PeriodicSite: S (12.72, 18.39, 2.087) [0.6261, 0.9051, 0.1028]\n", + " PeriodicSite: S (3.128, 4.211, 3.59) [0.154, 0.2073, 0.1768]\n", + " PeriodicSite: S (4.066, 4.184, 14.1) [0.2002, 0.206, 0.6941]\n", + " PeriodicSite: S (3.926, 13.83, 3.894) [0.1933, 0.6811, 0.1917]\n", + " PeriodicSite: S (3.794, 14.05, 14.1) [0.1868, 0.6915, 0.6943]\n", + " PeriodicSite: S (14.38, 3.803, 3.856) [0.7081, 0.1872, 0.1899]\n", + " PeriodicSite: S (14.35, 3.898, 13.73) [0.7066, 0.1919, 0.6759]\n", + " PeriodicSite: S (13.77, 13.8, 3.954) [0.6779, 0.6793, 0.1947]\n", + " PeriodicSite: S (13.92, 14.06, 14.04) [0.6855, 0.692, 0.6912]\n", + " PeriodicSite: S (8.774, 1.285, 6.396) [0.432, 0.06325, 0.3149]\n", + " PeriodicSite: S (9.141, 1.342, 16.58) [0.45, 0.06606, 0.8163]\n", + " PeriodicSite: S (9.438, 11.33, 6.643) [0.4646, 0.5578, 0.327]\n", + " PeriodicSite: S (9.098, 11.28, 16.88) [0.4479, 0.5551, 0.8308]\n", + " PeriodicSite: S (19.49, 1.327, 6.212) [0.9595, 0.06534, 0.3058]\n", + " PeriodicSite: S (19.34, 1.553, 17.03) [0.9519, 0.07644, 0.8385]\n", + " PeriodicSite: S (19.1, 11.38, 6.543) [0.9403, 0.5601, 0.3221]\n", + " PeriodicSite: S (19.14, 11.47, 16.31) [0.942, 0.5648, 0.803]\n", + " PeriodicSite: S (1.64, 0.9727, 4.243) [0.08076, 0.04789, 0.2089]\n", + " PeriodicSite: S (1.084, 1.095, 14.43) [0.05338, 0.05392, 0.7106]\n", + " PeriodicSite: S (1.007, 11.31, 3.91) [0.04956, 0.5569, 0.1925]\n", + " PeriodicSite: S (1.269, 11.29, 14.02) [0.06249, 0.5556, 0.69]\n", + " PeriodicSite: S (11.13, 1.396, 3.953) [0.5477, 0.06872, 0.1946]\n", + " PeriodicSite: S (11.15, 1.588, 13.72) [0.5491, 0.07815, 0.6757]\n", + " PeriodicSite: S (11.22, 11.22, 3.9) [0.5525, 0.5522, 0.192]\n", + " PeriodicSite: S (11.01, 11.75, 14.26) [0.5422, 0.5786, 0.702]\n", + " PeriodicSite: S (5.725, 3.531, 5.625) [0.2818, 0.1738, 0.2769]\n", + " PeriodicSite: S (6.63, 4.229, 16.5) [0.3264, 0.2082, 0.8125]\n", + " PeriodicSite: S (6.347, 13.85, 6.263) [0.3125, 0.6817, 0.3083]\n", + " PeriodicSite: S (6.382, 13.98, 16.34) [0.3142, 0.6885, 0.8046]\n", + " PeriodicSite: S (16.41, 3.905, 6.25) [0.808, 0.1922, 0.3077]\n", + " PeriodicSite: S (16.72, 4.171, 16.25) [0.823, 0.2053, 0.8]\n", + " PeriodicSite: S (16.4, 14.06, 6.038) [0.8072, 0.6922, 0.2973]\n", + " PeriodicSite: S (16.42, 14.31, 16.36) [0.8083, 0.7044, 0.8057]\n", + " PeriodicSite: S (7.617, 2.615, 12.61) [0.375, 0.1287, 0.6207]\n", + " PeriodicSite: S (7.717, 12.82, 2.775) [0.3799, 0.6313, 0.1366]\n", + " PeriodicSite: S (17.82, 2.759, 2.497) [0.8772, 0.1358, 0.1229]\n", + " PeriodicSite: S (17.43, 12.59, 2.592) [0.858, 0.62, 0.1276]\n", + " PeriodicSite: S (18.08, 12.54, 12.67) [0.8902, 0.6176, 0.6237]\n", + " PeriodicSite: S (3.979, 8.987, 9.031) [0.1959, 0.4424, 0.4446]\n", + " PeriodicSite: S (4.099, 8.977, 19.26) [0.2018, 0.442, 0.9482]\n", + " PeriodicSite: S (3.828, 18.68, 9.304) [0.1885, 0.9198, 0.458]\n", + " PeriodicSite: S (3.601, 19.46, 19.0) [0.1773, 0.9581, 0.9356]\n", + " PeriodicSite: S (14.06, 8.586, 9.31) [0.692, 0.4227, 0.4583]\n", + " PeriodicSite: S (14.19, 8.9, 19.08) [0.6988, 0.4382, 0.9394]\n", + " PeriodicSite: S (13.9, 19.25, 8.585) [0.6844, 0.9475, 0.4227]\n", + " PeriodicSite: S (14.22, 19.02, 18.95) [0.7002, 0.9366, 0.9329]\n", + " PeriodicSite: S (8.73, 6.18, 1.511) [0.4298, 0.3042, 0.07438]\n", + " PeriodicSite: S (8.764, 6.215, 11.14) [0.4315, 0.306, 0.5482]\n", + " PeriodicSite: S (8.789, 16.45, 1.02) [0.4327, 0.8101, 0.05022]\n", + " PeriodicSite: S (9.418, 16.36, 11.46) [0.4637, 0.8052, 0.564]\n", + " PeriodicSite: S (18.77, 6.401, 0.8568) [0.9239, 0.3151, 0.04219]\n", + " PeriodicSite: S (19.12, 5.765, 12.02) [0.9414, 0.2838, 0.5918]\n", + " PeriodicSite: S (19.06, 16.02, 1.342) [0.9386, 0.7886, 0.06608]\n", + " PeriodicSite: S (18.74, 16.36, 11.6) [0.9224, 0.8054, 0.5713]\n", + " PeriodicSite: S (1.097, 6.342, 9.524) [0.05399, 0.3122, 0.4689]\n", + " PeriodicSite: S (1.194, 6.619, 19.32) [0.0588, 0.3258, 0.9512]\n", + " PeriodicSite: S (0.5643, 16.51, 8.947) [0.02778, 0.8126, 0.4405]\n", + " PeriodicSite: S (1.068, 16.35, 19.17) [0.05259, 0.805, 0.9436]\n", + " PeriodicSite: S (11.28, 6.242, 8.881) [0.5554, 0.3073, 0.4372]\n", + " PeriodicSite: S (10.95, 6.403, 19.28) [0.539, 0.3152, 0.9494]\n", + " PeriodicSite: S (11.11, 16.46, 8.585) [0.5468, 0.8103, 0.4227]\n", + " PeriodicSite: S (11.43, 16.73, 19.04) [0.5626, 0.8238, 0.9373]\n", + " PeriodicSite: S (6.4, 8.977, 1.407) [0.3151, 0.442, 0.06928]\n", + " PeriodicSite: S (6.672, 9.122, 11.14) [0.3284, 0.4491, 0.5487]\n", + " PeriodicSite: S (6.143, 19.35, 1.311) [0.3024, 0.9526, 0.06453]\n", + " PeriodicSite: S (6.141, 18.97, 11.57) [0.3023, 0.934, 0.5698]\n", + " PeriodicSite: S (16.57, 8.97, 1.132) [0.8159, 0.4416, 0.05572]\n", + " PeriodicSite: S (16.4, 8.952, 11.48) [0.8072, 0.4407, 0.565]\n", + " PeriodicSite: S (16.58, 19.16, 0.9739) [0.8164, 0.9431, 0.04795]\n", + " PeriodicSite: S (16.1, 18.76, 11.33) [0.7924, 0.9238, 0.5578]\n", + " PeriodicSite: S (7.838, 7.699, 18.14) [0.3859, 0.379, 0.8928]\n", + " PeriodicSite: S (7.459, 17.94, 7.632) [0.3672, 0.8832, 0.3757]\n", + " PeriodicSite: S (18.01, 7.229, 7.922) [0.8865, 0.3559, 0.39]\n", + " PeriodicSite: S (17.22, 17.59, 7.312) [0.8477, 0.8658, 0.36]\n", + " PeriodicSite: P (4.92, 0.138, 0.1429) [0.2422, 0.006793, 0.007038]\n", + " PeriodicSite: P (4.935, 20.16, 10.37) [0.2429, 0.9924, 0.5105]\n", + " PeriodicSite: P (5.102, 10.13, 0.3584) [0.2512, 0.4987, 0.01765]\n", + " PeriodicSite: P (5.367, 10.19, 10.02) [0.2642, 0.5019, 0.4934]\n", + " PeriodicSite: P (15.35, 20.27, 20.17) [0.7556, 0.998, 0.9932]\n", + " PeriodicSite: P (15.15, 20.09, 10.02) [0.746, 0.9892, 0.4931]\n", + " PeriodicSite: P (15.29, 10.04, 0.04494) [0.7528, 0.4943, 0.002217]\n", + " PeriodicSite: P (15.04, 10.04, 10.29) [0.7406, 0.4944, 0.5064]\n", + " PeriodicSite: P (4.67, 4.928, 4.714) [0.2299, 0.2426, 0.2321]\n", + " PeriodicSite: P (5.386, 5.351, 15.26) [0.2651, 0.2634, 0.7511]\n", + " PeriodicSite: P (5.139, 15.07, 5.037) [0.253, 0.7419, 0.248]\n", + " PeriodicSite: P (5.162, 15.16, 15.25) [0.2541, 0.7465, 0.751]\n", + " PeriodicSite: P (15.46, 5.139, 4.986) [0.7613, 0.253, 0.2455]\n", + " PeriodicSite: P (15.47, 5.191, 14.99) [0.7615, 0.2555, 0.7382]\n", + " PeriodicSite: P (14.95, 15.05, 5.012) [0.7362, 0.7409, 0.2467]\n", + " PeriodicSite: P (15.05, 15.4, 15.22) [0.741, 0.7579, 0.7493]\n", + " PeriodicSite: P (0.365, 20.21, 5.298) [0.01796, 0.9949, 0.2608]\n", + " PeriodicSite: P (20.09, 0.1367, 15.64) [0.9889, 0.00672, 0.7702]\n", + " PeriodicSite: P (20.23, 10.21, 5.229) [0.9958, 0.5027, 0.2575]\n", + " PeriodicSite: P (0.05143, 10.11, 15.33) [0.002531, 0.4977, 0.7546]\n", + " PeriodicSite: P (10.02, 0.1596, 5.23) [0.4935, 0.007853, 0.2575]\n", + " PeriodicSite: P (10.39, 0.2753, 15.14) [0.5113, 0.01355, 0.7455]\n", + " PeriodicSite: P (10.28, 10.11, 5.201) [0.5059, 0.4976, 0.2561]\n", + " PeriodicSite: P (10.16, 10.31, 15.33) [0.5002, 0.5077, 0.7545]\n", + " PeriodicSite: P (20.24, 5.337, 20.21) [0.9963, 0.2627, 0.9948]\n", + " PeriodicSite: P (20.31, 4.865, 10.67) [0.9997, 0.2395, 0.5252]\n", + " PeriodicSite: P (20.22, 15.04, 0.09844) [0.9956, 0.7405, 0.004853]\n", + " PeriodicSite: P (20.03, 15.18, 10.3) [0.9863, 0.7472, 0.5069]\n", + " PeriodicSite: P (9.96, 5.038, 0.2893) [0.4903, 0.248, 0.01424]\n", + " PeriodicSite: P (10.19, 5.071, 10.17) [0.5019, 0.2497, 0.5006]\n", + " PeriodicSite: P (10.13, 15.49, 20.1) [0.4987, 0.7624, 0.9894]\n", + " PeriodicSite: P (10.13, 15.21, 9.93) [0.4988, 0.7488, 0.4889],\n", + " Structure Summary\n", + " Lattice\n", + " abc : 20.312311001202943 20.31233900091543 20.31242400034112\n", + " angles : 90.00018617127729 90.00063748668664 89.99892811843388\n", + " volume : 8380.714126120198\n", + " A : 20.312311 0.00019 -0.000113\n", + " B : 0.00019 20.312339 -3.3e-05\n", + " C : -0.000113 -3.3e-05 20.312424\n", + " pbc : True True True\n", + " PeriodicSite: Li (1.733, 6.585, 4.372) [0.08534, 0.3242, 0.2152]\n", + " PeriodicSite: Li (0.1114, 1.953, 12.58) [0.005485, 0.09613, 0.6191]\n", + " PeriodicSite: Li (0.2297, 12.18, 8.315) [0.01131, 0.5994, 0.4093]\n", + " PeriodicSite: Li (19.83, 12.98, 14.36) [0.9761, 0.639, 0.7072]\n", + " PeriodicSite: Li (14.81, 0.9296, 7.138) [0.7292, 0.04576, 0.3514]\n", + " PeriodicSite: Li (12.39, 3.521, 15.37) [0.6098, 0.1733, 0.7568]\n", + " PeriodicSite: Li (14.35, 12.49, 4.832) [0.7065, 0.6151, 0.2379]\n", + " PeriodicSite: Li (15.82, 8.194, 15.9) [0.779, 0.4034, 0.7826]\n", + " PeriodicSite: Li (4.059, 4.43, 8.387) [0.1998, 0.2181, 0.4129]\n", + " PeriodicSite: Li (1.771, 2.352, 19.93) [0.0872, 0.1158, 0.981]\n", + " PeriodicSite: Li (4.239, 7.68, 4.143) [0.2087, 0.3781, 0.204]\n", + " PeriodicSite: Li (7.193, 10.17, 17.32) [0.3541, 0.5005, 0.8529]\n", + " PeriodicSite: Li (12.59, 4.31, 5.999) [0.6197, 0.2122, 0.2953]\n", + " PeriodicSite: Li (13.8, 0.6111, 16.72) [0.6795, 0.03008, 0.8233]\n", + " PeriodicSite: Li (11.09, 9.446, 12.44) [0.546, 0.4651, 0.6123]\n", + " PeriodicSite: Li (7.885, 19.7, 19.83) [0.3882, 0.9696, 0.9761]\n", + " PeriodicSite: Li (7.229, 19.86, 7.081) [0.3559, 0.9778, 0.3486]\n", + " PeriodicSite: Li (5.228, 18.94, 13.9) [0.2574, 0.9322, 0.6844]\n", + " PeriodicSite: Li (3.12, 10.16, 3.691) [0.1536, 0.5002, 0.1817]\n", + " PeriodicSite: Li (6.255, 9.284, 13.48) [0.3079, 0.457, 0.6637]\n", + " PeriodicSite: Li (11.99, 0.5235, 8.225) [0.5904, 0.02577, 0.4049]\n", + " PeriodicSite: Li (10.76, 1.73, 18.35) [0.5298, 0.08514, 0.9033]\n", + " PeriodicSite: Li (13.08, 14.89, 8.35) [0.6439, 0.733, 0.4111]\n", + " PeriodicSite: Li (12.26, 9.261, 0.7508) [0.6038, 0.4559, 0.03697]\n", + " PeriodicSite: Li (19.97, 5.946, 7.852) [0.983, 0.2927, 0.3866]\n", + " PeriodicSite: Li (0.3882, 3.304, 17.18) [0.01911, 0.1627, 0.8458]\n", + " PeriodicSite: Li (1.921, 13.2, 5.622) [0.09455, 0.6499, 0.2768]\n", + " PeriodicSite: Li (3.216, 15.05, 18.18) [0.1583, 0.7412, 0.8949]\n", + " PeriodicSite: Li (13.1, 1.418, 5.353) [0.6451, 0.0698, 0.2635]\n", + " PeriodicSite: Li (16.15, 1.993, 14.76) [0.7949, 0.09809, 0.7268]\n", + " PeriodicSite: Li (10.71, 11.77, 8.714) [0.5273, 0.5795, 0.429]\n", + " PeriodicSite: Li (17.29, 17.14, 20.05) [0.8514, 0.8438, 0.9871]\n", + " PeriodicSite: Li (3.65, 1.735, 5.131) [0.1797, 0.0854, 0.2526]\n", + " PeriodicSite: Li (0.3735, 16.98, 3.538) [0.01838, 0.8359, 0.1742]\n", + " PeriodicSite: Li (2.742, 14.69, 9.234) [0.135, 0.7231, 0.4546]\n", + " PeriodicSite: Li (20.22, 17.45, 13.51) [0.9953, 0.8592, 0.6652]\n", + " PeriodicSite: Li (14.42, 4.131, 7.955) [0.7098, 0.2034, 0.3916]\n", + " PeriodicSite: Li (14.15, 6.231, 18.45) [0.6966, 0.3068, 0.9085]\n", + " PeriodicSite: Li (17.52, 15.1, 7.629) [0.8628, 0.7432, 0.3756]\n", + " PeriodicSite: Li (10.49, 12.46, 18.89) [0.5164, 0.6135, 0.93]\n", + " PeriodicSite: Li (1.344, 3.357, 5.391) [0.06616, 0.1653, 0.2654]\n", + " PeriodicSite: Li (1.267, 0.4331, 18.1) [0.06237, 0.02132, 0.8909]\n", + " PeriodicSite: Li (3.062, 9.755, 7.004) [0.1508, 0.4803, 0.3448]\n", + " PeriodicSite: Li (17.57, 14.79, 3.965) [0.8651, 0.728, 0.1952]\n", + " PeriodicSite: Li (10.37, 2.916, 7.5) [0.5103, 0.1436, 0.3692]\n", + " PeriodicSite: Li (16.88, 19.72, 13.43) [0.8308, 0.9707, 0.661]\n", + " PeriodicSite: Li (13.57, 10.66, 7.142) [0.6678, 0.5247, 0.3516]\n", + " PeriodicSite: Li (14.21, 10.54, 17.63) [0.6995, 0.5191, 0.8678]\n", + " PeriodicSite: Li (3.73, 11.79, 15.49) [0.1836, 0.5804, 0.7624]\n", + " PeriodicSite: Li (2.666, 10.78, 9.763) [0.1312, 0.5305, 0.4806]\n", + " PeriodicSite: Li (2.544, 18.11, 5.018) [0.1252, 0.8917, 0.2471]\n", + " PeriodicSite: Li (0.8516, 2.003, 9.155) [0.04193, 0.0986, 0.4507]\n", + " PeriodicSite: Li (13.12, 5.679, 0.9975) [0.6461, 0.2796, 0.04911]\n", + " PeriodicSite: Li (12.51, 7.857, 14.82) [0.616, 0.3868, 0.7296]\n", + " PeriodicSite: Li (11.16, 13.66, 5.722) [0.5492, 0.6724, 0.2817]\n", + " PeriodicSite: Li (14.02, 18.21, 14.26) [0.6904, 0.8963, 0.7021]\n", + " PeriodicSite: Li (3.89, 5.894, 1.819) [0.1915, 0.2902, 0.08957]\n", + " PeriodicSite: Li (3.532, 5.016, 11.66) [0.1739, 0.2469, 0.5739]\n", + " PeriodicSite: Li (6.55, 15.05, 19.14) [0.3225, 0.7407, 0.9422]\n", + " PeriodicSite: Li (2.639, 17.97, 15.01) [0.1299, 0.8847, 0.7389]\n", + " PeriodicSite: Li (14.97, 2.992, 18.71) [0.737, 0.1473, 0.9211]\n", + " PeriodicSite: Li (11.04, 6.288, 13.06) [0.5434, 0.3096, 0.6431]\n", + " PeriodicSite: Li (10.48, 17.47, 2.889) [0.5157, 0.86, 0.1422]\n", + " PeriodicSite: Li (10.59, 17.81, 14.12) [0.5212, 0.8767, 0.6952]\n", + " PeriodicSite: Li (4.782, 10.91, 17.95) [0.2354, 0.537, 0.8839]\n", + " PeriodicSite: Li (4.655, 7.405, 10.74) [0.2292, 0.3646, 0.5288]\n", + " PeriodicSite: Li (3.882, 20.19, 3.11) [0.1911, 0.9938, 0.1531]\n", + " PeriodicSite: Li (1.659, 17.9, 10.48) [0.08167, 0.8813, 0.5159]\n", + " PeriodicSite: Li (10.61, 7.111, 4.082) [0.5226, 0.3501, 0.201]\n", + " PeriodicSite: Li (13.53, 5.893, 11.49) [0.6662, 0.2901, 0.5656]\n", + " PeriodicSite: Li (10.89, 0.05361, 2.162) [0.5363, 0.002635, 0.1064]\n", + " PeriodicSite: Li (13.1, 14.8, 11.65) [0.6448, 0.7286, 0.5734]\n", + " PeriodicSite: Li (1.516, 8.586, 0.1933) [0.07464, 0.4227, 0.009518]\n", + " PeriodicSite: Li (17.37, 5.211, 8.931) [0.8549, 0.2565, 0.4397]\n", + " PeriodicSite: Li (1.056, 19.55, 1.764) [0.052, 0.9626, 0.08685]\n", + " PeriodicSite: Li (2.639, 19.95, 13.01) [0.1299, 0.9823, 0.6405]\n", + " PeriodicSite: Li (9.782, 6.512, 7.19) [0.4816, 0.3206, 0.354]\n", + " PeriodicSite: Li (13.55, 12.27, 15.58) [0.6672, 0.6041, 0.7672]\n", + " PeriodicSite: Li (14.8, 17.55, 1.566) [0.7285, 0.8641, 0.07712]\n", + " PeriodicSite: Li (11.87, 14.99, 16.85) [0.5844, 0.7381, 0.8294]\n", + " PeriodicSite: Li (7.326, 10.01, 6.055) [0.3606, 0.493, 0.2981]\n", + " PeriodicSite: Li (20.16, 11.97, 12.09) [0.9924, 0.5894, 0.5952]\n", + " PeriodicSite: Li (19.3, 17.3, 6.288) [0.9501, 0.8516, 0.3096]\n", + " PeriodicSite: Li (5.346, 18.17, 16.93) [0.2632, 0.8947, 0.8336]\n", + " PeriodicSite: Li (15.77, 10.71, 2.813) [0.7763, 0.5272, 0.1385]\n", + " PeriodicSite: Li (11.89, 8.309, 10.27) [0.5856, 0.409, 0.5055]\n", + " PeriodicSite: Li (13.03, 15.45, 0.0634) [0.6413, 0.7608, 0.003126]\n", + " PeriodicSite: Li (10.77, 17.91, 10.8) [0.5305, 0.8815, 0.5315]\n", + " PeriodicSite: Li (4.746, 3.329, 18.63) [0.2336, 0.1639, 0.9172]\n", + " PeriodicSite: Li (2.731, 8.491, 14.95) [0.1344, 0.418, 0.7359]\n", + " PeriodicSite: Li (6.643, 0.1406, 3.578) [0.327, 0.006917, 0.1761]\n", + " PeriodicSite: Li (2.474, 15.26, 12.9) [0.1218, 0.7512, 0.6349]\n", + " PeriodicSite: Li (12.94, 10.03, 4.149) [0.637, 0.4936, 0.2043]\n", + " PeriodicSite: Li (14.43, 9.482, 13.05) [0.7106, 0.4668, 0.6425]\n", + " PeriodicSite: Li (12.8, 18.21, 4.577) [0.6302, 0.8965, 0.2253]\n", + " PeriodicSite: Li (18.34, 5.172, 14.53) [0.9029, 0.2546, 0.7152]\n", + " PeriodicSite: Li (7.308, 3.421, 20.1) [0.3598, 0.1684, 0.9895]\n", + " PeriodicSite: Li (9.745, 3.59, 13.28) [0.4798, 0.1767, 0.6536]\n", + " PeriodicSite: Li (8.27, 13.29, 5.289) [0.4071, 0.6542, 0.2604]\n", + " PeriodicSite: Li (7.075, 12.48, 14.89) [0.3483, 0.6142, 0.7329]\n", + " PeriodicSite: Li (18.93, 4.388, 3.2) [0.9321, 0.216, 0.1576]\n", + " PeriodicSite: Li (13.21, 3.197, 10.22) [0.6502, 0.1574, 0.5032]\n", + " PeriodicSite: Li (19.74, 13.94, 2.862) [0.972, 0.6863, 0.1409]\n", + " PeriodicSite: Li (17.18, 10.29, 13.91) [0.846, 0.5067, 0.6846]\n", + " PeriodicSite: Li (5.828, 18.14, 5.583) [0.2869, 0.8931, 0.2749]\n", + " PeriodicSite: Li (7.408, 2.561, 15.17) [0.3647, 0.1261, 0.7468]\n", + " PeriodicSite: Li (3.407, 12.94, 20.16) [0.1677, 0.6373, 0.9925]\n", + " PeriodicSite: Li (9.53, 14.37, 13.12) [0.4692, 0.7077, 0.646]\n", + " PeriodicSite: Li (14.24, 20.21, 2.855) [0.7012, 0.9948, 0.1406]\n", + " PeriodicSite: Li (18.43, 1.393, 10.64) [0.9076, 0.06856, 0.5239]\n", + " PeriodicSite: Li (17.5, 14.22, 0.6833) [0.8615, 0.7001, 0.03364]\n", + " PeriodicSite: Li (16.84, 13.73, 11.02) [0.829, 0.676, 0.5428]\n", + " PeriodicSite: Li (9.835, 3.478, 3.456) [0.4842, 0.1712, 0.1702]\n", + " PeriodicSite: Li (9.277, 0.9881, 12.26) [0.4567, 0.04864, 0.6035]\n", + " PeriodicSite: Li (7.806, 15.03, 2.493) [0.3843, 0.74, 0.1227]\n", + " PeriodicSite: Li (5.106, 13.26, 8.588) [0.2514, 0.6528, 0.4228]\n", + " PeriodicSite: Li (20.1, 2.279, 2.324) [0.9895, 0.1122, 0.1144]\n", + " PeriodicSite: Li (0.3501, 8.379, 12.06) [0.01723, 0.4125, 0.5938]\n", + " PeriodicSite: Li (15.39, 13.43, 1.64) [0.7575, 0.6611, 0.08072]\n", + " PeriodicSite: Li (16.0, 12.5, 14.49) [0.7876, 0.6155, 0.7132]\n", + " PeriodicSite: Li (3.367, 20.21, 7.405) [0.1657, 0.9952, 0.3645]\n", + " PeriodicSite: Li (7.702, 20.19, 16.27) [0.3792, 0.994, 0.8011]\n", + " PeriodicSite: Li (5.991, 13.21, 1.026) [0.295, 0.6502, 0.05049]\n", + " PeriodicSite: Li (8.425, 7.136, 15.39) [0.4148, 0.3513, 0.7576]\n", + " PeriodicSite: Li (17.57, 3.714, 0.2446) [0.8651, 0.1828, 0.01205]\n", + " PeriodicSite: Li (15.12, 16.78, 11.58) [0.7444, 0.8262, 0.5702]\n", + " PeriodicSite: Li (15.0, 13.63, 18.34) [0.7385, 0.6711, 0.9027]\n", + " PeriodicSite: Li (18.0, 10.91, 10.91) [0.8861, 0.537, 0.5374]\n", + " PeriodicSite: Li (8.885, 7.691, 0.09541) [0.4374, 0.3786, 0.0047]\n", + " PeriodicSite: Li (5.538, 1.316, 13.29) [0.2726, 0.06477, 0.6545]\n", + " PeriodicSite: Li (9.97, 12.87, 2.339) [0.4908, 0.6338, 0.1152]\n", + " PeriodicSite: Li (8.461, 11.74, 10.37) [0.4166, 0.578, 0.5104]\n", + " PeriodicSite: Li (15.59, 3.583, 1.721) [0.7675, 0.1764, 0.08472]\n", + " PeriodicSite: Li (16.07, 2.939, 10.97) [0.7911, 0.1447, 0.5401]\n", + " PeriodicSite: Li (0.7682, 11.46, 18.11) [0.03782, 0.5642, 0.8918]\n", + " PeriodicSite: Li (17.93, 15.08, 13.95) [0.8825, 0.7426, 0.6869]\n", + " PeriodicSite: Li (5.16, 3.416, 1.864) [0.254, 0.1682, 0.09175]\n", + " PeriodicSite: Li (6.436, 2.756, 10.79) [0.3169, 0.1357, 0.5311]\n", + " PeriodicSite: Li (5.055, 17.31, 1.947) [0.2489, 0.8524, 0.09584]\n", + " PeriodicSite: Li (4.506, 16.9, 11.72) [0.2218, 0.832, 0.577]\n", + " PeriodicSite: Li (17.84, 0.9329, 0.4777) [0.8781, 0.04592, 0.02352]\n", + " PeriodicSite: Li (2.11, 5.182, 13.79) [0.1039, 0.2551, 0.6787]\n", + " PeriodicSite: Li (4.803, 12.07, 6.075) [0.2365, 0.594, 0.2991]\n", + " PeriodicSite: Li (14.67, 12.71, 9.853) [0.7222, 0.6258, 0.4851]\n", + " PeriodicSite: Li (17.24, 11.89, 5.014) [0.8488, 0.5854, 0.2468]\n", + " PeriodicSite: Li (5.732, 8.045, 16.36) [0.2822, 0.3961, 0.8053]\n", + " PeriodicSite: Li (5.476, 13.82, 11.95) [0.2696, 0.6805, 0.5885]\n", + " PeriodicSite: Li (2.582, 16.83, 0.06041) [0.1271, 0.8288, 0.002976]\n", + " PeriodicSite: Li (16.84, 9.419, 6.896) [0.8292, 0.4637, 0.3395]\n", + " PeriodicSite: Li (2.946, 4.909, 18.56) [0.1451, 0.2417, 0.9137]\n", + " PeriodicSite: Li (16.15, 2.283, 4.182) [0.7952, 0.1124, 0.2059]\n", + " PeriodicSite: Li (18.05, 20.03, 17.17) [0.8885, 0.986, 0.8452]\n", + " PeriodicSite: Li (5.604, 7.957, 7.22) [0.2759, 0.3917, 0.3555]\n", + " PeriodicSite: Li (8.007, 5.305, 17.7) [0.3942, 0.2612, 0.8712]\n", + " PeriodicSite: Li (8.079, 18.99, 9.514) [0.3977, 0.9348, 0.4684]\n", + " PeriodicSite: Li (8.631, 16.39, 16.92) [0.4249, 0.807, 0.833]\n", + " PeriodicSite: Li (16.49, 6.398, 11.56) [0.8116, 0.315, 0.5692]\n", + " PeriodicSite: Li (18.4, 8.547, 20.13) [0.9058, 0.4208, 0.9909]\n", + " PeriodicSite: Li (17.35, 19.94, 7.044) [0.854, 0.9815, 0.3468]\n", + " PeriodicSite: Li (19.35, 14.84, 17.12) [0.9524, 0.7305, 0.8427]\n", + " PeriodicSite: Li (7.2, 5.496, 8.927) [0.3545, 0.2706, 0.4395]\n", + " PeriodicSite: Li (3.371, 1.787, 15.48) [0.166, 0.08796, 0.7619]\n", + " PeriodicSite: Li (7.247, 15.72, 9.746) [0.3568, 0.7741, 0.4798]\n", + " PeriodicSite: Li (17.06, 10.46, 16.85) [0.84, 0.5148, 0.8294]\n", + " PeriodicSite: Li (19.46, 8.533, 8.633) [0.958, 0.4201, 0.425]\n", + " PeriodicSite: Li (17.07, 5.705, 18.29) [0.8404, 0.2809, 0.9004]\n", + " PeriodicSite: Li (15.32, 16.84, 8.878) [0.7541, 0.8292, 0.4371]\n", + " PeriodicSite: Li (14.91, 17.19, 18.24) [0.7342, 0.8461, 0.8982]\n", + " PeriodicSite: Li (8.755, 8.261, 10.21) [0.431, 0.4067, 0.5028]\n", + " PeriodicSite: Li (7.096, 4.697, 2.676) [0.3493, 0.2312, 0.1318]\n", + " PeriodicSite: Li (5.113, 16.92, 8.637) [0.2517, 0.8328, 0.4252]\n", + " PeriodicSite: Li (8.061, 10.82, 1.298) [0.3969, 0.5329, 0.06392]\n", + " PeriodicSite: Li (15.28, 6.961, 8.313) [0.7522, 0.3427, 0.4093]\n", + " PeriodicSite: Li (0.358, 7.097, 16.98) [0.01762, 0.3494, 0.8358]\n", + " PeriodicSite: Li (15.46, 18.15, 6.198) [0.7612, 0.8935, 0.3051]\n", + " PeriodicSite: Li (16.31, 18.16, 15.83) [0.8029, 0.8942, 0.7793]\n", + " PeriodicSite: Li (6.689, 5.033, 12.26) [0.3293, 0.2478, 0.6034]\n", + " PeriodicSite: Li (5.968, 7.117, 19.89) [0.2938, 0.3504, 0.9793]\n", + " PeriodicSite: Li (10.25, 17.68, 7.555) [0.5048, 0.8705, 0.3719]\n", + " PeriodicSite: Li (12.23, 19.05, 20.27) [0.6023, 0.9376, 0.9979]\n", + " PeriodicSite: Li (14.66, 7.818, 4.337) [0.7216, 0.3849, 0.2135]\n", + " PeriodicSite: Li (16.5, 6.492, 1.032) [0.8122, 0.3196, 0.05079]\n", + " PeriodicSite: Li (18.54, 17.71, 9.778) [0.9128, 0.8717, 0.4814]\n", + " PeriodicSite: Li (18.06, 0.5608, 3.879) [0.8889, 0.0276, 0.191]\n", + " PeriodicSite: Li (6.664, 10.71, 3.72) [0.3281, 0.5275, 0.1832]\n", + " PeriodicSite: Li (9.893, 8.976, 18.03) [0.4871, 0.4419, 0.8878]\n", + " PeriodicSite: Li (7.938, 15.41, 7.197) [0.3908, 0.7586, 0.3543]\n", + " PeriodicSite: Li (3.837, 0.4897, 17.63) [0.1889, 0.02411, 0.8678]\n", + " PeriodicSite: Li (17.64, 7.013, 5.191) [0.8683, 0.3453, 0.2556]\n", + " PeriodicSite: Li (19.12, 10.53, 2.567) [0.9412, 0.5186, 0.1264]\n", + " PeriodicSite: Li (3.49, 15.26, 2.27) [0.1718, 0.7514, 0.1118]\n", + " PeriodicSite: Li (13.51, 0.4598, 13.47) [0.6652, 0.02263, 0.663]\n", + " PeriodicSite: Cl (7.728, 12.97, 12.64) [0.3805, 0.6386, 0.6222]\n", + " PeriodicSite: Cl (2.685, 12.23, 17.84) [0.1322, 0.602, 0.8781]\n", + " PeriodicSite: Cl (12.75, 17.37, 12.28) [0.6278, 0.8554, 0.6048]\n", + " PeriodicSite: Cl (17.73, 7.847, 17.47) [0.8731, 0.3863, 0.8601]\n", + " PeriodicSite: Cl (7.609, 2.385, 2.696) [0.3746, 0.1174, 0.1327]\n", + " PeriodicSite: Cl (7.842, 7.68, 7.982) [0.3861, 0.3781, 0.393]\n", + " PeriodicSite: Cl (12.42, 12.83, 7.474) [0.6117, 0.6318, 0.3679]\n", + " PeriodicSite: Cl (2.645, 7.771, 2.366) [0.1302, 0.3826, 0.1165]\n", + " PeriodicSite: Cl (2.675, 7.242, 12.94) [0.1317, 0.3565, 0.6371]\n", + " PeriodicSite: Cl (12.54, 12.94, 17.67) [0.6174, 0.6372, 0.87]\n", + " PeriodicSite: Cl (17.4, 17.48, 17.65) [0.8564, 0.8606, 0.8688]\n", + " PeriodicSite: Cl (2.494, 2.56, 7.262) [0.1228, 0.126, 0.3575]\n", + " PeriodicSite: Cl (12.93, 2.734, 17.51) [0.6364, 0.1346, 0.8621]\n", + " PeriodicSite: Cl (12.59, 7.965, 2.999) [0.6197, 0.3921, 0.1477]\n", + " PeriodicSite: Cl (17.87, 2.232, 12.68) [0.88, 0.1099, 0.6241]\n", + " PeriodicSite: Cl (7.506, 18.12, 17.96) [0.3695, 0.8919, 0.8843]\n", + " PeriodicSite: Cl (20.2, 0.7584, 0.4685) [0.9945, 0.03733, 0.02307]\n", + " PeriodicSite: Cl (0.05833, 0.205, 10.75) [0.002875, 0.01009, 0.5292]\n", + " PeriodicSite: Cl (19.98, 10.12, 20.23) [0.9836, 0.4981, 0.996]\n", + " PeriodicSite: Cl (0.2246, 10.23, 10.27) [0.01106, 0.5038, 0.5056]\n", + " PeriodicSite: Cl (10.2, 0.3021, 20.04) [0.5022, 0.01487, 0.9865]\n", + " PeriodicSite: Cl (10.42, 20.29, 10.09) [0.5131, 0.999, 0.4969]\n", + " PeriodicSite: Cl (10.01, 9.927, 20.24) [0.4929, 0.4887, 0.9964]\n", + " PeriodicSite: Cl (10.23, 10.11, 10.25) [0.5038, 0.4978, 0.5046]\n", + " PeriodicSite: Cl (20.22, 5.459, 5.278) [0.9954, 0.2688, 0.2599]\n", + " PeriodicSite: Cl (0.1432, 5.379, 15.56) [0.00705, 0.2648, 0.7662]\n", + " PeriodicSite: Cl (19.93, 15.19, 4.785) [0.9811, 0.748, 0.2356]\n", + " PeriodicSite: Cl (20.22, 15.23, 15.07) [0.9953, 0.75, 0.742]\n", + " PeriodicSite: Cl (10.26, 4.973, 5.469) [0.5052, 0.2448, 0.2693]\n", + " PeriodicSite: Cl (10.16, 5.348, 15.05) [0.5001, 0.2633, 0.7412]\n", + " PeriodicSite: Cl (9.641, 15.07, 4.844) [0.4747, 0.7419, 0.2385]\n", + " PeriodicSite: Cl (10.14, 15.76, 15.21) [0.4991, 0.7761, 0.7486]\n", + " PeriodicSite: S (5.107, 20.26, 5.42) [0.2514, 0.9973, 0.2668]\n", + " PeriodicSite: S (5.192, 20.19, 15.63) [0.2556, 0.9942, 0.7693]\n", + " PeriodicSite: S (4.91, 9.698, 5.283) [0.2417, 0.4775, 0.2601]\n", + " PeriodicSite: S (5.472, 10.16, 15.75) [0.2694, 0.5004, 0.7756]\n", + " PeriodicSite: S (15.56, 20.29, 5.073) [0.766, 0.9987, 0.2497]\n", + " PeriodicSite: S (15.16, 20.18, 15.09) [0.7463, 0.9935, 0.743]\n", + " PeriodicSite: S (15.1, 10.24, 5.295) [0.7434, 0.5043, 0.2607]\n", + " PeriodicSite: S (15.24, 10.43, 15.33) [0.7501, 0.5132, 0.7546]\n", + " PeriodicSite: S (5.212, 4.858, 0.2647) [0.2566, 0.2392, 0.01303]\n", + " PeriodicSite: S (5.402, 4.975, 10.42) [0.266, 0.2449, 0.5129]\n", + " PeriodicSite: S (4.501, 15.14, 20.28) [0.2216, 0.7452, 0.9986]\n", + " PeriodicSite: S (4.991, 15.33, 10.0) [0.2457, 0.7547, 0.4923]\n", + " PeriodicSite: S (15.32, 4.941, 19.99) [0.7544, 0.2433, 0.9841]\n", + " PeriodicSite: S (15.07, 5.044, 9.914) [0.7419, 0.2483, 0.4881]\n", + " PeriodicSite: S (15.52, 15.68, 0.0171) [0.7641, 0.7718, 0.0008476]\n", + " PeriodicSite: S (14.89, 14.98, 10.24) [0.7329, 0.7377, 0.5039]\n", + " PeriodicSite: S (9.059, 3.954, 9.281) [0.446, 0.1947, 0.4569]\n", + " PeriodicSite: S (9.563, 3.748, 19.01) [0.4708, 0.1845, 0.9357]\n", + " PeriodicSite: S (8.662, 13.94, 9.108) [0.4264, 0.6862, 0.4484]\n", + " PeriodicSite: S (8.87, 14.48, 18.79) [0.4367, 0.7129, 0.925]\n", + " PeriodicSite: S (19.47, 3.788, 9.345) [0.9588, 0.1865, 0.4601]\n", + " PeriodicSite: S (19.21, 4.056, 18.98) [0.9457, 0.1997, 0.9343]\n", + " PeriodicSite: S (18.92, 13.63, 9.145) [0.9314, 0.6708, 0.4502]\n", + " PeriodicSite: S (19.13, 13.67, 19.33) [0.9417, 0.6731, 0.9515]\n", + " PeriodicSite: S (3.58, 1.466, 0.9897) [0.1762, 0.07215, 0.04872]\n", + " PeriodicSite: S (3.986, 1.525, 11.24) [0.1963, 0.07508, 0.5531]\n", + " PeriodicSite: S (3.762, 11.31, 1.269) [0.1852, 0.5566, 0.06246]\n", + " PeriodicSite: S (4.358, 11.51, 11.05) [0.2145, 0.5666, 0.5442]\n", + " PeriodicSite: S (14.34, 1.39, 0.7387) [0.7062, 0.06843, 0.03637]\n", + " PeriodicSite: S (14.38, 1.37, 11.36) [0.7078, 0.06742, 0.5595]\n", + " PeriodicSite: S (13.95, 10.96, 1.085) [0.6869, 0.5393, 0.0534]\n", + " PeriodicSite: S (13.82, 11.03, 11.26) [0.6806, 0.5428, 0.5543]\n", + " PeriodicSite: S (5.941, 0.6047, 8.919) [0.2925, 0.02977, 0.4391]\n", + " PeriodicSite: S (6.203, 1.175, 19.08) [0.3054, 0.05786, 0.9394]\n", + " PeriodicSite: S (6.548, 11.12, 8.409) [0.3224, 0.5472, 0.414]\n", + " PeriodicSite: S (6.307, 11.32, 19.53) [0.3105, 0.5575, 0.9613]\n", + " PeriodicSite: S (16.9, 1.383, 9.027) [0.832, 0.06806, 0.4444]\n", + " PeriodicSite: S (16.65, 1.064, 18.74) [0.8199, 0.0524, 0.9227]\n", + " PeriodicSite: S (16.43, 11.31, 9.034) [0.8086, 0.557, 0.4447]\n", + " PeriodicSite: S (16.31, 11.22, 19.06) [0.8028, 0.5525, 0.9385]\n", + " PeriodicSite: S (1.032, 4.019, 1.295) [0.05079, 0.1978, 0.06375]\n", + " PeriodicSite: S (1.447, 3.881, 11.79) [0.07125, 0.1911, 0.5804]\n", + " PeriodicSite: S (1.36, 14.12, 1.151) [0.06697, 0.695, 0.05668]\n", + " PeriodicSite: S (1.042, 14.02, 11.19) [0.05132, 0.6902, 0.5508]\n", + " PeriodicSite: S (11.5, 3.859, 1.559) [0.566, 0.19, 0.07676]\n", + " PeriodicSite: S (11.46, 4.101, 11.61) [0.5644, 0.2019, 0.5716]\n", + " PeriodicSite: S (11.3, 13.94, 0.5848) [0.5562, 0.6864, 0.02879]\n", + " PeriodicSite: S (11.19, 13.5, 11.15) [0.5508, 0.6647, 0.5487]\n", + " PeriodicSite: S (2.637, 2.647, 17.64) [0.1298, 0.1303, 0.8682]\n", + " PeriodicSite: S (2.762, 12.33, 7.889) [0.136, 0.6069, 0.3884]\n", + " PeriodicSite: S (12.74, 2.404, 7.33) [0.6272, 0.1183, 0.3608]\n", + " PeriodicSite: S (8.721, 9.124, 4.401) [0.4293, 0.4492, 0.2167]\n", + " PeriodicSite: S (8.909, 9.366, 14.12) [0.4386, 0.4611, 0.695]\n", + " PeriodicSite: S (9.038, 18.9, 4.293) [0.4449, 0.9305, 0.2114]\n", + " PeriodicSite: S (9.249, 19.55, 13.68) [0.4553, 0.9623, 0.6735]\n", + " PeriodicSite: S (18.48, 9.203, 4.352) [0.9097, 0.4531, 0.2143]\n", + " PeriodicSite: S (19.22, 9.006, 13.98) [0.9463, 0.4434, 0.6885]\n", + " PeriodicSite: S (19.73, 19.11, 4.193) [0.9712, 0.9409, 0.2064]\n", + " PeriodicSite: S (19.04, 19.09, 14.55) [0.9372, 0.9398, 0.7164]\n", + " PeriodicSite: S (3.562, 6.128, 6.524) [0.1754, 0.3017, 0.3212]\n", + " PeriodicSite: S (3.782, 6.338, 16.41) [0.1862, 0.312, 0.8081]\n", + " PeriodicSite: S (4.152, 16.45, 6.295) [0.2044, 0.8099, 0.3099]\n", + " PeriodicSite: S (3.764, 16.44, 16.42) [0.1853, 0.8093, 0.8082]\n", + " PeriodicSite: S (14.04, 6.134, 6.052) [0.6912, 0.302, 0.2979]\n", + " PeriodicSite: S (13.99, 6.22, 16.05) [0.6888, 0.3062, 0.79]\n", + " PeriodicSite: S (13.85, 16.35, 6.15) [0.6819, 0.8048, 0.3028]\n", + " PeriodicSite: S (13.61, 16.45, 16.21) [0.6701, 0.81, 0.798]\n", + " PeriodicSite: S (6.028, 6.163, 4.25) [0.2968, 0.3034, 0.2093]\n", + " PeriodicSite: S (6.391, 6.422, 14.42) [0.3146, 0.3161, 0.7098]\n", + " PeriodicSite: S (6.173, 16.26, 3.79) [0.3039, 0.8004, 0.1866]\n", + " PeriodicSite: S (5.946, 16.44, 13.68) [0.2927, 0.8094, 0.6736]\n", + " PeriodicSite: S (16.48, 5.866, 3.659) [0.8113, 0.2888, 0.1801]\n", + " PeriodicSite: S (16.31, 6.746, 14.06) [0.8031, 0.3321, 0.6924]\n", + " PeriodicSite: S (16.22, 16.66, 3.918) [0.7985, 0.8203, 0.1929]\n", + " PeriodicSite: S (16.21, 16.7, 14.0) [0.7981, 0.8223, 0.6895]\n", + " PeriodicSite: S (1.098, 8.589, 6.042) [0.05404, 0.4228, 0.2974]\n", + " PeriodicSite: S (1.173, 9.282, 16.67) [0.05777, 0.457, 0.8206]\n", + " PeriodicSite: S (1.255, 19.39, 6.784) [0.0618, 0.9545, 0.334]\n", + " PeriodicSite: S (1.266, 18.7, 16.42) [0.06231, 0.9207, 0.8084]\n", + " PeriodicSite: S (11.43, 9.013, 6.336) [0.5625, 0.4437, 0.3119]\n", + " PeriodicSite: S (11.53, 9.133, 16.38) [0.5679, 0.4496, 0.8065]\n", + " PeriodicSite: S (11.62, 19.35, 6.214) [0.5719, 0.9528, 0.3059]\n", + " PeriodicSite: S (11.59, 19.33, 15.84) [0.5707, 0.9518, 0.78]\n", + " PeriodicSite: S (2.693, 18.06, 2.642) [0.1326, 0.8891, 0.1301]\n", + " PeriodicSite: S (2.362, 17.76, 12.78) [0.1163, 0.8746, 0.629]\n", + " PeriodicSite: S (12.78, 7.805, 12.61) [0.629, 0.3842, 0.621]\n", + " PeriodicSite: S (12.59, 18.37, 2.292) [0.62, 0.9045, 0.1129]\n", + " PeriodicSite: S (3.296, 4.051, 3.775) [0.1622, 0.1994, 0.1859]\n", + " PeriodicSite: S (4.292, 3.845, 13.93) [0.2113, 0.1893, 0.686]\n", + " PeriodicSite: S (3.863, 13.77, 4.202) [0.1902, 0.6781, 0.2069]\n", + " PeriodicSite: S (3.97, 13.82, 14.04) [0.1954, 0.6802, 0.6913]\n", + " PeriodicSite: S (14.05, 3.778, 3.717) [0.6916, 0.186, 0.183]\n", + " PeriodicSite: S (14.48, 3.828, 13.7) [0.7127, 0.1885, 0.6746]\n", + " PeriodicSite: S (13.8, 14.21, 3.469) [0.6794, 0.6997, 0.1708]\n", + " PeriodicSite: S (14.26, 13.96, 13.58) [0.7021, 0.6873, 0.6687]\n", + " PeriodicSite: S (8.853, 1.068, 6.374) [0.4358, 0.05257, 0.3138]\n", + " PeriodicSite: S (9.339, 1.577, 16.14) [0.4598, 0.07763, 0.7948]\n", + " PeriodicSite: S (9.112, 11.49, 6.719) [0.4486, 0.5657, 0.3308]\n", + " PeriodicSite: S (9.187, 11.64, 16.64) [0.4523, 0.573, 0.8191]\n", + " PeriodicSite: S (19.1, 1.149, 6.248) [0.9401, 0.05658, 0.3076]\n", + " PeriodicSite: S (19.76, 1.133, 16.91) [0.9727, 0.05578, 0.8323]\n", + " PeriodicSite: S (19.09, 11.01, 6.806) [0.9397, 0.5418, 0.3351]\n", + " PeriodicSite: S (19.02, 11.44, 16.11) [0.9365, 0.563, 0.7931]\n", + " PeriodicSite: S (1.467, 1.315, 4.136) [0.07224, 0.06473, 0.2036]\n", + " PeriodicSite: S (1.39, 1.098, 14.3) [0.06844, 0.05406, 0.704]\n", + " PeriodicSite: S (0.9551, 11.39, 4.184) [0.04702, 0.5606, 0.206]\n", + " PeriodicSite: S (1.288, 11.27, 13.96) [0.0634, 0.5547, 0.6871]\n", + " PeriodicSite: S (11.18, 1.403, 4.061) [0.5505, 0.06908, 0.1999]\n", + " PeriodicSite: S (11.42, 1.762, 13.72) [0.5621, 0.08675, 0.6755]\n", + " PeriodicSite: S (11.22, 11.48, 3.979) [0.5523, 0.5653, 0.1959]\n", + " PeriodicSite: S (11.39, 11.36, 13.8) [0.5606, 0.5594, 0.6793]\n", + " PeriodicSite: S (5.747, 3.432, 6.217) [0.2829, 0.169, 0.3061]\n", + " PeriodicSite: S (6.108, 3.9, 16.68) [0.3007, 0.192, 0.8211]\n", + " PeriodicSite: S (6.253, 13.94, 6.446) [0.3078, 0.6863, 0.3174]\n", + " PeriodicSite: S (6.361, 14.32, 16.5) [0.3131, 0.7048, 0.8125]\n", + " PeriodicSite: S (16.48, 3.682, 6.262) [0.8111, 0.1812, 0.3083]\n", + " PeriodicSite: S (16.63, 4.233, 16.19) [0.8186, 0.2084, 0.7969]\n", + " PeriodicSite: S (16.04, 14.02, 5.887) [0.7897, 0.6903, 0.2898]\n", + " PeriodicSite: S (16.02, 14.27, 16.24) [0.7885, 0.7024, 0.7996]\n", + " PeriodicSite: S (7.516, 2.743, 12.94) [0.37, 0.135, 0.6372]\n", + " PeriodicSite: S (7.841, 12.6, 2.637) [0.386, 0.6205, 0.1298]\n", + " PeriodicSite: S (17.83, 2.387, 2.454) [0.8779, 0.1175, 0.1208]\n", + " PeriodicSite: S (17.48, 12.59, 2.509) [0.8606, 0.6198, 0.1235]\n", + " PeriodicSite: S (17.81, 12.36, 12.85) [0.877, 0.6083, 0.6329]\n", + " PeriodicSite: S (4.018, 8.959, 8.996) [0.1978, 0.441, 0.4429]\n", + " PeriodicSite: S (4.095, 8.765, 19.48) [0.2016, 0.4315, 0.9588]\n", + " PeriodicSite: S (3.629, 18.76, 9.479) [0.1786, 0.9235, 0.4667]\n", + " PeriodicSite: S (3.776, 19.07, 19.42) [0.1859, 0.939, 0.9559]\n", + " PeriodicSite: S (14.0, 8.868, 8.808) [0.6893, 0.4366, 0.4336]\n", + " PeriodicSite: S (13.96, 8.655, 19.1) [0.6871, 0.4261, 0.9403]\n", + " PeriodicSite: S (14.24, 19.43, 8.866) [0.701, 0.9566, 0.4365]\n", + " PeriodicSite: S (13.98, 19.36, 18.77) [0.6884, 0.9533, 0.9241]\n", + " PeriodicSite: S (8.556, 5.631, 1.093) [0.4212, 0.2772, 0.0538]\n", + " PeriodicSite: S (9.11, 6.283, 11.54) [0.4485, 0.3093, 0.5679]\n", + " PeriodicSite: S (8.99, 16.75, 0.9419) [0.4426, 0.8245, 0.04637]\n", + " PeriodicSite: S (9.124, 16.27, 11.4) [0.4492, 0.8008, 0.5614]\n", + " PeriodicSite: S (18.83, 6.123, 1.209) [0.9269, 0.3014, 0.05955]\n", + " PeriodicSite: S (19.15, 6.169, 11.95) [0.9426, 0.3037, 0.5884]\n", + " PeriodicSite: S (19.09, 16.21, 1.136) [0.9396, 0.7982, 0.05595]\n", + " PeriodicSite: S (18.54, 15.94, 11.59) [0.9126, 0.7846, 0.5706]\n", + " PeriodicSite: S (1.186, 6.576, 9.623) [0.05837, 0.3237, 0.4737]\n", + " PeriodicSite: S (1.123, 6.497, 19.36) [0.05529, 0.3199, 0.9529]\n", + " PeriodicSite: S (0.4727, 16.48, 8.989) [0.02327, 0.8112, 0.4425]\n", + " PeriodicSite: S (0.9542, 16.25, 18.69) [0.04697, 0.7999, 0.9201]\n", + " PeriodicSite: S (11.45, 6.182, 8.941) [0.5635, 0.3043, 0.4402]\n", + " PeriodicSite: S (11.45, 6.632, 19.82) [0.5638, 0.3265, 0.9756]\n", + " PeriodicSite: S (11.24, 16.28, 9.082) [0.5535, 0.8016, 0.4471]\n", + " PeriodicSite: S (11.35, 16.79, 18.93) [0.5588, 0.8264, 0.9319]\n", + " PeriodicSite: S (6.362, 8.844, 1.613) [0.3132, 0.4354, 0.07939]\n", + " PeriodicSite: S (6.72, 9.25, 11.08) [0.3308, 0.4554, 0.5455]\n", + " PeriodicSite: S (6.131, 19.36, 1.428) [0.3018, 0.9529, 0.07031]\n", + " PeriodicSite: S (6.17, 19.2, 11.79) [0.3038, 0.9452, 0.5804]\n", + " PeriodicSite: S (16.58, 8.957, 1.161) [0.8162, 0.441, 0.05717]\n", + " PeriodicSite: S (16.35, 8.876, 11.42) [0.8048, 0.4369, 0.5624]\n", + " PeriodicSite: S (16.48, 19.21, 0.9351) [0.8114, 0.9455, 0.04604]\n", + " PeriodicSite: S (16.7, 19.15, 11.17) [0.8219, 0.9427, 0.5502]\n", + " PeriodicSite: S (7.731, 7.539, 17.8) [0.3806, 0.3711, 0.8761]\n", + " PeriodicSite: S (7.236, 17.56, 7.869) [0.3562, 0.8643, 0.3874]\n", + " PeriodicSite: S (17.61, 7.394, 7.509) [0.8668, 0.364, 0.3697]\n", + " PeriodicSite: S (17.35, 17.43, 7.626) [0.8543, 0.858, 0.3755]\n", + " PeriodicSite: P (4.9, 0.1526, 0.04544) [0.2412, 0.007511, 0.002239]\n", + " PeriodicSite: P (4.871, 20.08, 10.49) [0.2398, 0.9888, 0.5166]\n", + " PeriodicSite: P (5.071, 10.07, 0.3537) [0.2497, 0.496, 0.01742]\n", + " PeriodicSite: P (5.442, 10.32, 9.861) [0.2679, 0.5083, 0.4854]\n", + " PeriodicSite: P (15.28, 20.31, 19.89) [0.7522, 1.0, 0.9792]\n", + " PeriodicSite: P (15.53, 0.1796, 10.12) [0.7647, 0.008834, 0.4982]\n", + " PeriodicSite: P (15.24, 9.881, 20.11) [0.7504, 0.4864, 0.9898]\n", + " PeriodicSite: P (15.2, 9.971, 10.15) [0.7481, 0.4909, 0.4996]\n", + " PeriodicSite: P (4.715, 4.834, 5.294) [0.2321, 0.238, 0.2607]\n", + " PeriodicSite: P (5.112, 5.142, 15.48) [0.2517, 0.2532, 0.7619]\n", + " PeriodicSite: P (5.02, 15.09, 5.171) [0.2471, 0.7428, 0.2546]\n", + " PeriodicSite: P (5.016, 15.28, 15.15) [0.2469, 0.7521, 0.7459]\n", + " PeriodicSite: P (15.25, 4.824, 5.015) [0.7506, 0.2375, 0.2469]\n", + " PeriodicSite: P (15.3, 5.205, 14.92) [0.7531, 0.2562, 0.7344]\n", + " PeriodicSite: P (14.99, 15.4, 4.756) [0.7378, 0.758, 0.2341]\n", + " PeriodicSite: P (14.9, 15.28, 14.92) [0.7336, 0.7523, 0.7347]\n", + " PeriodicSite: P (0.2015, 0.1373, 5.367) [0.009921, 0.00676, 0.2642]\n", + " PeriodicSite: P (0.2187, 20.19, 15.54) [0.01076, 0.9938, 0.7649]\n", + " PeriodicSite: P (20.07, 10.06, 5.323) [0.9881, 0.4951, 0.2621]\n", + " PeriodicSite: P (0.1057, 10.19, 15.18) [0.005201, 0.5019, 0.7472]\n", + " PeriodicSite: P (10.08, 0.08688, 5.148) [0.4962, 0.004273, 0.2535]\n", + " PeriodicSite: P (10.41, 0.4556, 14.93) [0.5126, 0.02242, 0.7352]\n", + " PeriodicSite: P (10.08, 10.25, 5.376) [0.4963, 0.5047, 0.2647]\n", + " PeriodicSite: P (10.26, 10.43, 15.32) [0.5053, 0.5135, 0.754]\n", + " PeriodicSite: P (20.31, 5.208, 0.03255) [0.9998, 0.2564, 0.001608]\n", + " PeriodicSite: P (0.1233, 5.129, 10.66) [0.006071, 0.2525, 0.5247]\n", + " PeriodicSite: P (0.1416, 15.07, 20.14) [0.006972, 0.7419, 0.9916]\n", + " PeriodicSite: P (19.86, 15.06, 10.3) [0.9775, 0.7416, 0.5069]\n", + " PeriodicSite: P (10.38, 4.951, 0.2356) [0.511, 0.2438, 0.0116]\n", + " PeriodicSite: P (10.22, 5.133, 10.23) [0.503, 0.2527, 0.5036]\n", + " PeriodicSite: P (10.11, 15.49, 19.99) [0.4975, 0.7627, 0.9841]\n", + " PeriodicSite: P (10.11, 15.01, 10.14) [0.4976, 0.7389, 0.4993]]" + ] + }, + "execution_count": 5, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "\n", + " xd.structures" + ] + }, + { + "cell_type": "code", + "execution_count": 6, + "metadata": {}, + "outputs": [ + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Reading Trajectory: 100%|██████████| 140/140 [00:00<00:00, 11063.64it/s]\n", + "Finding Means and Variances: 100%|██████████| 140/140 [00:00<00:00, 898.24it/s]\n" + ] + } + ], + "source": [ + "p = DiffusionAnalyzer.from_Xdatcar(xd, time_step= time_step1, step_skip=step_skip1, specie='Li', dimension='xy')" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [] + }, + { + "cell_type": "code", + "execution_count": 7, + "metadata": {}, + "outputs": [ + { + "data": { + "image/svg+xml": [ + "\n", + "\n", + "\n", + " \n", + " \n", + " \n", + " \n", + " 2024-09-18T10:35:37.618136\n", + " image/svg+xml\n", + " \n", + " \n", + " Matplotlib v3.8.4, https://matplotlib.org/\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", 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140/140 [00:00<00:00, 2649.26it/s]\n" + ] + } + ], + "source": [ + "z = JumpDiffusionAnalyzer.from_Xdatcar(xd, time_step= time_step1, step_skip=step_skip1, specie='Li', dimension='xy')" + ] + }, + { + "cell_type": "code", + "execution_count": 9, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 9, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "z.trajectory" + ] + }, + { + "cell_type": "code", + "execution_count": 10, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "Text(29.222222222222214, 0.5, 'MSTD [Å^2]')" + ] + }, + "execution_count": 10, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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lYhoNlcnjgLRr1y516NBB48aN02OPPab4+Hjt27fPOn/hwgW9+uqrld7A4cOHa8CAAYqPj9egQYP097//XYcOHdK6detu+TljjBwOh/X++v++WY3dzJkz5XK5rNeJEyfu/EYAAIDf8DggvfTSSxoyZIgKCwt1+vRp9e7dW926ddNXX31Vle0rp2nTpmrZsqUOHz4sSYqOjlZJSYkKCwvd6goKChQVFWXVnD59uty1zpw5Y9XcSEhIiBo0aOD2AgAAgc/jgJSTk6Pp06erVq1aCg8P1x/+8AdNmzZNPXv21K5du6qyjW7Onj2rEydOqGnTppKkhIQE1alTR1lZWVZNXl6e9u7dqy5dukiSkpKS5HK5tHPnTqtmx44dcrlcVg0AAEAZj3axlfnhhx/c3k+bNk21atVSnz599P77799RAy5cuKB//vOf1vsjR44oNzdXERERioiIUFpamoYOHaqmTZvq6NGjeumll9S4cWM9+uijkiSn06mnnnpKkydPVqNGjRQREaEpU6aoY8eO1q629u3bq1+/fnr66af17rvvSpLGjh2rgQMHsoMNAACU43FAKtsVdv/997sdnzJliowxevzxx++oAV9++aV69OhhvZ80aZKkH5+9tGjRIu3Zs0d//vOfde7cOTVt2lQ9evTQBx98oPDwcOsz8+bNU+3atTVs2DBdvnxZPXv21NKlSxUUFGTVrFy5UhMnTrR2uyUnJ9/y2UsAAKDm8jggjRo1StnZ2Xr22WfLnZs6daqMMRV6/lGZ7t27yxhz0/Offvrpba9Rt25dLViwQAsWLLhpTUREhFasWFHh9gEAgJrH4zVIv/nNb7R8+fKbnp82bZqOHDlSKY0CAADwJr94UCQAAP6MZzT5nwoHpC1btlRFOwAA8Mj1YeP7Cz8QPFAlKhSQPvnkEw0ZMqSq2gIAAOATPA5Iy5cv14gRI7Rq1aqqbA8AIIAx1QR/4VFAmj9/vsaOHauVK1dazxYCAKCqBMI0GmHQv3m0zX/SpElasGCBBg0aVNXtAQAA8DqPRpC6dOmiP/zhDzp79mxVtwcAUIMwygJf5VFA2rhxo+Li4tS7d28VFRVVdZsAAAC8yqOAVLduXa1du1YdOnRQ3759q7pNAAAAXuXxLragoCCtWLFCP/vZz6qyPQCAGorpNviSCj8o8q233qqKdgAAAPiMSv2qkV27dlXm5QAAAYCRIfijuw5IBQUFmjt3ruLj49W5c+fKaBMAAH6JMBg4PHoOkt21a9f0ySefaMmSJfr73/+u1q1ba+jQoVq+fHlltw8AAAS4esG1dfT1Ad5uhptbBqQzZ85o7ty5ioiIUGpqqg4ePKglS5ZoxYoVkqRhw4aptLRUH374oTp06FAtDQYA4G5cKrmqDr/9VJK0f3Zf1Qu+o7ECBLhbTrGNGDFCly5dkiQ1a9ZMnTt31qlTp/T+++/r1KlTWrBgQbU0EgAAoDrdMiB98803GjlypJ588kn961//0tixYzV79mwNGDBAQUFB1dVGAACAanXLgPTyyy/r0UcfVbdu3fT666/r6NGjio+PV2JiohYuXKgzZ85UVzsBAACqzS0nXp955hmNHDlSISEhqlOnjqQf1yWtWLFCixcv1osvvqjS0lJlZWUpNjZW4eHh1dJoAIBvu36dz5cv9/Rya4CKu+02//r161vhSJKaNGmiF198Uf/4xz+0fft2Pffcc/rd736nyMhIJScnV2ljAQAAqsNdPQcpISFBCxcu1KlTp7Rs2TJdvcozHwAA/ovnGKFMpTxJOzg4WMOGDdP69esr43IAAABe5VFAGjJkiIqKijy+6MiRI1VQUHDHjQIA+B9GXxBIPHo61t/+9jePd6wZY/Txxx9b65IAAAD8jUcByRijtm3bVnVbAACoVvanagNlPApImzdvrvCFmzVrVuHPAAAA+AKPAlK3bt2quh0AAAA+o1J2sQEAAAQSAhIAADfArryajYAEAABgQ0ACAOAuMNIUmDxapG33/fff6+jRo3I4HGrVqpUaNWpU2e0CAADwmgqNIO3bt08PP/ywoqKilJiYqJ/97GeKjIzUI488ooMHD1ZVGwEAAKqVxyNI+fn56tatm5o0aaK5c+fq3nvvlTFG+/fv1+LFi/Xzn/9ce/fu5enZAADA73kckObNm6eWLVvqf/7nf1S3bl3reL9+/fTcc8+pa9eumjdvntLT06ukoQAAANXF4ym2rKwsTZ8+3S0clQkNDdXUqVP16aefVmrjAAAAvMHjgPTtt9/qpz/96U3Pd+rUSd9++22lNAoAUL3uZCcWu7cQyDwOSOfPn1eDBg1uej48PFwXLlyolEYBAKoeAQe4uQpt8z9//vwNp9gkqaioSMaYSmkUAACAN3kckIwxatu27S3POxyOSmkUAACAN3kckDZv3lyV7QAAwC9cKrmqDr/9cVPS/tl9vdwaVBWPA9KxY8c0fPhwhYSEVGV7AACV6EZ/zMvef/lyT6+1C/B1Hi/S/vWvfy2Xy1WVbQEAwCexoL3m8TggsQAbAADUFBX6LjYWYQMAgJqgQtv8x4wZc9s1SKtXr76rBgEAAHhbhQJSeHi4QkNDq6otAAAfYF/YXS+4Qn8qgIBQoX/1b7/9tiIjI6uqLQAAAD7B4zVIrD8CAAA1BbvYACDAsCUduHseB6TNmzcrIiKiKtsCAADgEzwOSHXr1lVWVpbbsT//+c+Ki4tTZGSkxo4dq+Li4kpvIADAu64fkfr+wg+MTqFG8DggpaWl6euvv7be79mzR0899ZR69eqlGTNm6OOPP1Z6enqVNBIAAKA6eRyQcnNz1bPn/31vT0ZGhhITE7V48WJNmjRJb7/9tv7zP/+zShoJAABQnTwOSIWFhYqKirLeZ2dnq1+/ftb7hx56SCdOnKjc1gEAAHiBxwEpKipKR44ckSSVlJRo9+7dSkpKss6fP39ederUqfwWAgAAVDOPA1K/fv00Y8YMffHFF5o5c6bq1aunn//859b5r7/+Wj/5yU+qpJEAAADVyeMnab/22msaMmSIunXrpvr162vZsmUKDg62zr///vvq06dPlTQSAHBr1389yJcv97xNNYDb8XgEqUmTJvriiy9UWFiowsJCPfroo27n//rXv+qVV16pcAM+//xzDRo0SDExMXI4HProo4/czhtjlJaWppiYGIWGhqp79+7at2+fW01xcbEmTJigxo0bKywsTMnJyTp58qRbTWFhoVJSUuR0OuV0OpWSkqJz585VuL0AACDweRyQyjidTgUFBZU7HhER4Tai5KmLFy/qgQce0MKFC294/o033tDcuXO1cOFC7dq1S9HR0erdu7fOnz9v1aSmpmrNmjXKyMjQli1bdOHCBQ0cOFDXrl2zakaMGKHc3FxlZmYqMzNTubm5SklJqXB7AaCq8SRswPs8nmJ78sknPap7//33K9SA/v37q3///jc8Z4zR/PnzNWvWLA0ZMkSStGzZMkVFRWnVqlV65pln5HK59N5772n58uXq1auXJGnFihWKjY3Vxo0b1bdvXx04cECZmZnavn27EhMTJUmLFy9WUlKSDh48qHbt2lWozQDgC5hWA6qOxyNIS5cu1ebNm3Xu3Dlrmu1Gr8p05MgR5efnu61tCgkJUbdu3bR161ZJUk5Ojq5cueJWExMTo/j4eKtm27ZtcjqdVjiSpM6dO8vpdFo1N1JcXKyioiK3FwAACHwejyA9++yzysjI0Lfffqsnn3xSTzzxRJV/N1t+fr4kuT1/qez9sWPHrJrg4GA1bNiwXE3Z5/Pz8xUZGVnu+pGRkVbNjaSnp+vVV1+9q3sAAE8wGgT4Fo9HkN555x3l5eVp+vTp+vjjjxUbG6thw4bp008/lTGmKtsoh8Ph9t4YU+6Ynb3mRvW3u87MmTPlcrmsFw/CBACgZqjQIu2QkBA9/vjjysrK0v79+3Xffffp+eefV8uWLXXhwoVKb1x0dLQklRvlKSgosEaVoqOjVVJSUm56z15z+vTpctc/c+ZMudGp64WEhKhBgwZuLwAAEPgqvIutjMPhkMPhkDFGpaWlldkmS1xcnKKjo5WVlWUdKykpUXZ2trp06SJJSkhIUJ06ddxq8vLytHfvXqsmKSlJLpdLO3futGp27Nghl8tl1QBAdfJ0pxo72gDv8HgNkvTjouXVq1fr/fff15YtWzRw4EAtXLhQ/fr1U61ad5a1Lly4oH/+85/W+yNHjig3N1cRERFq0aKFUlNTNWfOHLVp00Zt2rTRnDlzVK9ePY0YMULSj48deOqppzR58mQ1atRIERERmjJlijp27Gjtamvfvr369eunp59+Wu+++64kaezYsRo4cCA72AD4jevXKe2f3dfLrQECm8cB6fnnn1dGRoZatGihX//618rIyFCjRo3uugFffvmlevToYb2fNGmSJGn06NFaunSppk2bpsuXL+v5559XYWGhEhMTtWHDBoWHh1ufmTdvnmrXrq1hw4bp8uXL6tmzp5YuXer2vKaVK1dq4sSJ1m635OTkmz57CQAA1GweB6Q//vGPatGiheLi4pSdna3s7Owb1q1evbpCDejevfstF3k7HA6lpaUpLS3tpjV169bVggULtGDBgpvWREREaMWKFRVqGwAAqJk8DkijRo267c4xAACAQOBxQFq6dGkVNgMAAMB33PEuNgAAgEBFQAIAALAhIAFANeGZRoD/ICABAADYEJAAAABsCEgAAAA2BCQAqESsMwICAwEJAADAhoAEAFWIESXAP3n8JG0AAIDKUi+4to6+PsDbzbgpRpAAAABsCEgAaiSmvgDcCgEJQI1QlYGIsAUEHgISgBqPgAPAjoAEAABgQ0ACAACwISABAADYEJAA4Dqerkdi3RIQ2AhIAAAANjxJGwBu4lLJVXX47aeSpP2z+0qS9f7Ll3t6rV2AP7n+idn+NNrKCBKAgMU0GIA7RUACAACwYYoNAABY7nZKzNe/hNZTjCABAADYEJAABBTWHQGoDEyxAfB71+82Y3cZ8H/8dQeZLyAgAfAL9i339YL59QVUlkBZN1SZmGID4HeYRgNQ1QhIAAAANgQkAAAAGwISAJ/FVBoAb2GVIwCfcaPvPgNQMSy4rhwEJAAAcEM1+TEBTLEBAADYMIIEoFrc7DlGPOQR8H+BOK3HCBIAAIANI0gAqsStFlwzagT4v0AcNboeI0gAAAA2jCABAFAD1OQdaXeCgAQAgJ8h7FQ9AhIAALitylhz5E/rlghIAADUMP4UVLyFRdoAKg3fnQYgUBCQAAAAbAhIAAAANqxBAnBXeOgjUHnsa4M8mapmPVHVICABAOAHCELVi4AEAIAXEXx8E2uQAFQYu9UABDoCEgAAgA0BCQAAwIaABAAAYENAAgAAsGEXGwAAPoodbt5DQAIAoJoRfHwfAQnAbV3/tOz9s/t6uTWA/yEQ+R/WIAEAANgQkAAAAGz8IiClpaXJ4XC4vaKjo63zxhilpaUpJiZGoaGh6t69u/bt2+d2jeLiYk2YMEGNGzdWWFiYkpOTdfLkyeq+FQAA4Af8IiBJ0n333ae8vDzrtWfPHuvcG2+8oblz52rhwoXatWuXoqOj1bt3b50/f96qSU1N1Zo1a5SRkaEtW7bowoULGjhwoK5du+aN2wEAAD7MbxZp165d223UqIwxRvPnz9esWbM0ZMgQSdKyZcsUFRWlVatW6ZlnnpHL5dJ7772n5cuXq1evXpKkFStWKDY2Vhs3blTfvjdedFpcXKzi4mLrfVFRURXcGeCbrl+Y/eXLPb3cGsD/sDDbv/nNCNLhw4cVExOjuLg4/epXv9K3334rSTpy5Ijy8/PVp08fqzYkJETdunXT1q1bJUk5OTm6cuWKW01MTIzi4+OtmhtJT0+X0+m0XrGxsVV0dwAAwJf4RUBKTEzUn//8Z3366adavHix8vPz1aVLF509e1b5+fmSpKioKLfPREVFWefy8/MVHByshg0b3rTmRmbOnCmXy2W9Tpw4Ucl3BgAAfJFfTLH179/f+u+OHTsqKSlJP/nJT7Rs2TJ17txZkuRwONw+Y4wpd8zudjUhISEKCQm5i5YDAAB/5BcjSHZhYWHq2LGjDh8+bK1Lso8EFRQUWKNK0dHRKikpUWFh4U1rAAC4mbL1REdfH6B6wX4xtoC75JcBqbi4WAcOHFDTpk0VFxen6OhoZWVlWedLSkqUnZ2tLl26SJISEhJUp04dt5q8vDzt3bvXqgEAwBP2sHT9+8b16xKkAoRf/F9vypQpGjRokFq0aKGCggK99tprKioq0ujRo+VwOJSamqo5c+aoTZs2atOmjebMmaN69eppxIgRkiSn06mnnnpKkydPVqNGjRQREaEpU6aoY8eO1q42wF/Yd5d1eu2/y/33/tl9Pf7lfKvrAXbX78y6VHLVy60Bqo5fBKSTJ0/q8ccf1/fff68mTZqoc+fO2r59u1q2bClJmjZtmi5fvqznn39ehYWFSkxM1IYNGxQeHm5dY968eapdu7aGDRumy5cvq2fPnlq6dKmCgoK8dVtAlbJ/fxr/axYAPOcXvzEzMjJued7hcCgtLU1paWk3ralbt64WLFigBQsWVHLrgMp3oy+H5ZlEAFB9/HINEoA7d6nkqlrNWKdWM9YxRQIAN+EXI0gAAO/hidCoiRhBAnxEVY7sMGoEABVDQAIAALBhig0AAkBlbr/3dErNXsfoJAIJAQkAUOnuNrD5wvOWWHtVsxGQgNvgeULwVYH2BzzQ7gf+jd/0wA3Yny7t7z8HgYEAUfmYJsTNEJCACmA0Cai4W02XeSP0ETThCX67A9WMUSMEqqoKHozywBsISAAQYHxhgTPg7whIwF2wjwZ1eu2/JTH9BtwM01vwF/wGBwAPBfLIDMHlR/QDyhCQ4Lcqc8G0/VqV2Tb7yBICQ3WFpcr+gx1oIS/Q7ge+g4AEv3KzBc7sLgMqLtBGSwhLqEz8FUGNxW4y1ASBFoKkwLwn+B4CEqqNL4zyEIpQEXfynWSMXACBgYCEKuXplJikG67ZuZP1O7e7NgAAt0NAQqVjlAa4O0whVT76FBVFQILHbrYzi11aAHwNgQh3i4CEW2I0CDUN2+oBSAQkAKhUtwpYhCXAf9TydgPgWy6VXFWrGevUasY6foEDAGosRpAA1Hi+sF7FF9oA4P8QkAAELKa0ANwpptgAAABsGEECO9Xg9+zTU/4wVcWUGuDbCEg1FKEINY09kDDlBuBWCEgA/E5ljL4wggPgVghINQijRvBnBBoA1YmAFGBu9nUgfAUIfAm7ywD4OnaxBQAe7ggAQOViBAnAXfF0NOhOpsiYVgPgLQQkAJXGH7fbA8CNEJD80PXrjFhbBH/HeiQAvoiABKDCmPoCEOgISEANd7NpMW+M5hC8APgKApKf8IVnGAXyVAhPWS6P9UQAajICEm4pkP8X/a3uLdDCYKDdDwBUNQIS3HgaiG41ulCVf4Dv9g99IAc+T9EHAHB7BCQf5gvTanfiTkLMrQKXt0d5bvVzfGn9DgCg8hCQAoC/jKp4I9CUqaz7u5MRNm+FJUaKAODOEZD8UGWsnfFGKKrKn1+TwoAvhC8ACHQEJD9RGQGgJoUIX1KVO+TYaQYAVYOA5GMqc90Rgcg3VcYaLQBA1SIg+TD+KAY+pssAwDfV8nYDAAAAfA0jSICPYD0RAPgOApKPYVoNAADvY4oNAADAhoAEAABgQ0ACAACwISB52aWSq2o1Y51azVjHNm8AAHwEAQkAAMCGXWxexq41AAB8DyNIAAAANgQkAAAAGwISAACADQEJAADApsYFpHfeeUdxcXGqW7euEhIS9MUXX3i7SQAAwMfUqID0wQcfKDU1VbNmzdJXX32ln//85+rfv7+OHz/u7aYBAAAf4jDGGG83orokJibqpz/9qRYtWmQda9++vQYPHqz09PRy9cXFxSouLrbeFxUVKTY2Vi6XSw0aNKiWNgMAgLtTVFQkp9NZob/fNWYEqaSkRDk5OerTp4/b8T59+mjr1q03/Ex6erqcTqf1io2NrY6mAgAAL6sxAen777/XtWvXFBUV5XY8KipK+fn5N/zMzJkz5XK5rNeJEyeqo6kAAMDLatyTtB0Oh9t7Y0y5Y2VCQkIUEhJSHc0CAAA+pMaMIDVu3FhBQUHlRosKCgrKjSoBAICarcYEpODgYCUkJCgrK8vteFZWlrp06eKlVgEAAF9Uo6bYJk2apJSUFHXq1ElJSUn605/+pOPHj+vZZ5/1dtMAAIAPqVEBafjw4Tp79qxmz56tvLw8xcfHa/369WrZsqW3mwYAAHxIjXoO0t26k+coAAAA77qTv981agTpbpVlyaKiIi+3BAAAeKrs73ZFxoQISBVw/vx5SeKBkQAA+KHz58/L6XR6VMsUWwWUlpbq1KlTCg8Pv+mzkzxV9rUlJ06cqLHTdfTBj+gH+qAM/UAfSPRBmcrsB2OMzp8/r5iYGNWq5dkGfkaQKqBWrVpq3rx5pV6zQYMGNfr/AST6oAz9QB+UoR/oA4k+KFNZ/eDpyFGZGvMcJAAAAE8RkAAAAGwISF4SEhKiV155pUZ/1xt98CP6gT4oQz/QBxJ9UMbb/cAibQAAABtGkAAAAGwISAAAADYEJAAAABsCEgAAgA0ByUveeecdxcXFqW7dukpISNAXX3zh7SbdkfT0dD300EMKDw9XZGSkBg8erIMHD7rVGGOUlpammJgYhYaGqnv37tq3b59bTXFxsSZMmKDGjRsrLCxMycnJOnnypFtNYWGhUlJS5HQ65XQ6lZKSonPnzlX1LVZYenq6HA6HUlNTrWM1oQ++++47PfHEE2rUqJHq1aunf//3f1dOTo51vib0wdWrV/Xyyy8rLi5OoaGhat26tWbPnq3S0lKrJtD64fPPP9egQYMUExMjh8Ohjz76yO18dd7v8ePHNWjQIIWFhalx48aaOHGiSkpKquK2y7lVP1y5ckXTp09Xx44dFRYWppiYGI0aNUqnTp1yu4a/98Pt/i1c75lnnpHD4dD8+fPdjvtUHxhUu4yMDFOnTh2zePFis3//fvPCCy+YsLAwc+zYMW83rcL69u1rlixZYvbu3Wtyc3PNgAEDTIsWLcyFCxesmtdff92Eh4ebDz/80OzZs8cMHz7cNG3a1BQVFVk1zz77rGnWrJnJysoyu3fvNj169DAPPPCAuXr1qlXTr18/Ex8fb7Zu3Wq2bt1q4uPjzcCBA6v1fm9n586dplWrVub+++83L7zwgnU80PvgX//6l2nZsqUZM2aM2bFjhzly5IjZuHGj+ec//2nVBHofGGPMa6+9Zho1amQ++eQTc+TIEfPXv/7V1K9f38yfP9+qCbR+WL9+vZk1a5b58MMPjSSzZs0at/PVdb9Xr1418fHxpkePHmb37t0mKyvLxMTEmPHjx1d5Hxhz6344d+6c6dWrl/nggw/MN998Y7Zt22YSExNNQkKC2zX8vR9u92+hzJo1a8wDDzxgYmJizLx589zO+VIfEJC84Gc/+5l59tln3Y7de++9ZsaMGV5qUeUpKCgwkkx2drYxxpjS0lITHR1tXn/9davmhx9+ME6n0/zxj380xvz4y6NOnTomIyPDqvnuu+9MrVq1TGZmpjHGmP379xtJZvv27VbNtm3bjCTzzTffVMet3db58+dNmzZtTFZWlunWrZsVkGpCH0yfPt107dr1pudrQh8YY8yAAQPMk08+6XZsyJAh5oknnjDGBH4/2P8oVuf9rl+/3tSqVct89913Vs1f/vIXExISYlwuV5Xc783cKhyU2blzp5Fk/Q/jQOuHm/XByZMnTbNmzczevXtNy5Yt3QKSr/UBU2zVrKSkRDk5OerTp4/b8T59+mjr1q1ealXlcblckqSIiAhJ0pEjR5Sfn+92vyEhIerWrZt1vzk5Obpy5YpbTUxMjOLj462abdu2yel0KjEx0arp3LmznE6nz/TbuHHjNGDAAPXq1cvteE3og7Vr16pTp0765S9/qcjISD344INavHixdb4m9IEkde3aVf/93/+tQ4cOSZL+8Y9/aMuWLfrFL34hqeb0Q5nqvN9t27YpPj5eMTExVk3fvn1VXFzsNtXrK1wulxwOh+655x5JNaMfSktLlZKSoqlTp+q+++4rd97X+oAvq61m33//va5du6aoqCi341FRUcrPz/dSqyqHMUaTJk1S165dFR8fL0nWPd3ofo8dO2bVBAcHq2HDhuVqyj6fn5+vyMjIcj8zMjLSJ/otIyNDu3fv1q5du8qdqwl98O2332rRokWaNGmSXnrpJe3cuVMTJ05USEiIRo0aVSP6QJKmT58ul8ule++9V0FBQbp27Zp+//vf6/HHH5dUM/4tXK867zc/P7/cz2nYsKGCg4N9qk8k6YcfftCMGTM0YsQI60tYa0I//Md//Idq166tiRMn3vC8r/UBAclLHA6H23tjTLlj/mb8+PH6+uuvtWXLlnLn7uR+7TU3qveFfjtx4oReeOEFbdiwQXXr1r1pXSD3QWlpqTp16qQ5c+ZIkh588EHt27dPixYt0qhRo6y6QO4DSfrggw+0YsUKrVq1Svfdd59yc3OVmpqqmJgYjR492qoL9H6wq6779Yc+uXLlin71q1+ptLRU77zzzm3rA6UfcnJy9NZbb2n37t0Vboe3+oAptmrWuHFjBQUFlUuxBQUF5RKvP5kwYYLWrl2rzZs3q3nz5tbx6OhoSbrl/UZHR6ukpESFhYW3rDl9+nS5n3vmzBmv91tOTo4KCgqUkJCg2rVrq3bt2srOztbbb7+t2rVrW+0L5D5o2rSpOnTo4Hasffv2On78uKSa8e9AkqZOnaoZM2boV7/6lTp27KiUlBS9+OKLSk9Pl1Rz+qFMdd5vdHR0uZ9TWFioK1eu+EyfXLlyRcOGDdORI0eUlZVljR5Jgd8PX3zxhQoKCtSiRQvr9+SxY8c0efJktWrVSpLv9QEBqZoFBwcrISFBWVlZbsezsrLUpUsXL7XqzhljNH78eK1evVqbNm1SXFyc2/m4uDhFR0e73W9JSYmys7Ot+01ISFCdOnXcavLy8rR3716rJikpSS6XSzt37rRqduzYIZfL5fV+69mzp/bs2aPc3Fzr1alTJ40cOVK5ublq3bp1wPfB//t//6/c4x0OHTqkli1bSqoZ/w4k6dKlS6pVy/3XalBQkLXNv6b0Q5nqvN+kpCTt3btXeXl5Vs2GDRsUEhKihISEKr1PT5SFo8OHD2vjxo1q1KiR2/lA74eUlBR9/fXXbr8nY2JiNHXqVH366aeSfLAPPF7OjUpTts3/vffeM/v37zepqakmLCzMHD161NtNq7DnnnvOOJ1O89lnn5m8vDzrdenSJavm9ddfN06n06xevdrs2bPHPP744zfc5tu8eXOzceNGs3v3bvPII4/ccGvn/fffb7Zt22a2bdtmOnbs6DPbu+2u38VmTOD3wc6dO03t2rXN73//e3P48GGzcuVKU69ePbNixQqrJtD7wBhjRo8ebZo1a2Zt81+9erVp3LixmTZtmlUTaP1w/vx589VXX5mvvvrKSDJz5841X331lbU7q7rut2xrd8+ePc3u3bvNxo0bTfPmzattm/+t+uHKlSsmOTnZNG/e3OTm5rr9riwuLg6YfrjdvwU7+y42Y3yrDwhIXvKHP/zBtGzZ0gQHB5uf/vSn1rZ4fyPphq8lS5ZYNaWlpeaVV14x0dHRJiQkxDz88MNmz549bte5fPmyGT9+vImIiDChoaFm4MCB5vjx4241Z8+eNSNHjjTh4eEmPDzcjBw50hQWFlbDXVacPSDVhD74+OOPTXx8vAkJCTH33nuv+dOf/uR2vib0QVFRkXnhhRdMixYtTN26dU3r1q3NrFmz3P4IBlo/bN68+Ya/A0aPHm2Mqd77PXbsmBkwYIAJDQ01ERERZvz48eaHH36oytu33Kofjhw5ctPflZs3b7au4e/9cLt/C3Y3Cki+1AcOY4zxfLwJAAAg8LEGCQAAwIaABAAAYENAAgAAsCEgAQAA2BCQAAAAbAhIAAAANgQkAAAAGwISAACADQEJQLX67LPP5HA4dO7cOW83pdo4HA45HA7dc889bsf/9Kc/KTY2VrVq1dL8+fNveY2yfnM4HBo8eHCVtRXAjwhIAKpM9+7dlZqa6nasS5cuysvLk9Pp9E6j5J2QtmTJEh06dMh6X1RUpPHjx2v69On67rvvNHbs2Ft+vqzfhg0bVtVNBSCptrcbAKBmCQ4OVnR0tLebUe3uueceRUZGWu+PHz+uK1euaMCAAWratOltP1/Wb6GhoSouLq7KpgIQI0gAqsiYMWOUnZ2tt956y5oaOnr0aLnRm6VLl+qee+7RJ598onbt2qlevXp67LHHdPHiRS1btkytWrVSw4YNNWHCBF27ds26fklJiaZNm6ZmzZopLCxMiYmJ+uyzz6zzx44d06BBg9SwYUOFhYXpvvvu0/r163X06FH16NFDktSwYUM5HA6NGTNGkmSM0RtvvKHWrVsrNDRUDzzwgP7rv/7LumZZ29etW6cHHnhAdevWVWJiovbs2VOhvlm6dKk6duwoSWrdurXVN//4xz/Uo0cPhYeHq0GDBkpISNCXX355B70P4G4xggSgSrz11ls6dOiQ4uPjNXv2bElSkyZNdPTo0XK1ly5d0ttvv62MjAydP39eQ4YM0ZAhQ3TPPfdo/fr1+vbbbzV06FB17dpVw4cPlyT9+te/1tGjR5WRkaGYmBitWbNG/fr10549e9SmTRuNGzdOJSUl+vzzzxUWFqb9+/erfv36io2N1YcffqihQ4fq4MGDatCggUJDQyVJL7/8slavXq1FixapTZs2+vzzz/XEE0+oSZMm6tatm9XeqVOn6q233lJ0dLReeuklJScn69ChQ6pTp45HfTN8+HDFxsaqV69e2rlzp2JjY9WkSRMNHDhQDz74oBYtWqSgoCDl5uZ6fE0AlYuABKBKOJ1OBQcHq169eredUrty5YoWLVqkn/zkJ5Kkxx57TMuXL9fp06dVv359dejQQT169NDmzZs1fPhw/e///q/+8pe/6OTJk4qJiZEkTZkyRZmZmVqyZInmzJmj48ePa+jQoW4jNWUiIiIkSZGRkdbC6YsXL2ru3LnatGmTkpKSrM9s2bJF7777rltAeuWVV9S7d29J0rJly9S8eXOtWbPG4/VBoaGhatSokaQfQ2NZ/xw/flxTp07VvffeK0lq06aNR9cDUPkISAC8rl69elY4kqSoqCi1atVK9evXdztWUFAgSdq9e7eMMWrbtq3bdYqLi63gMXHiRD333HPasGGDevXqpaFDh+r++++/aRv279+vH374wQo+ZUpKSvTggw+6HSsLUNKPYatdu3Y6cOBABe+6vEmTJuk3v/mNli9frl69eumXv/ylW78AqD4EJABeZ59GcjgcNzxWWloqSSotLVVQUJBycnIUFBTkVlcWqn7zm9+ob9++WrdunTZs2KD09HS9+eabmjBhwg3bUHbtdevWqVmzZm7nQkJCbnsPDofjtjW3k5aWphEjRmjdunX6+9//rldeeUUZGRl69NFH7/raACqGRdoAqkxwcLDbwurK8uCDD+ratWsqKCjQv/3bv7m9rp/Oi42N1bPPPqvVq1dr8uTJWrx4sdUuSW5t69Chg0JCQnT8+PFy14yNjXX7+du3b7f+u7CwUIcOHbKmxe5W27Zt9eKLL2rDhg0aMmSIlixZUinXBVAxjCABqDKtWrXSjh07dPToUdWvX99a+3O32rZtq5EjR2rUqFF688039eCDD+r777/Xpk2b1LFjR/3iF79Qamqq+vfvr7Zt26qwsFCbNm1S+/btJUktW7aUw+HQJ598ol/84hcKDQ1VeHi4pkyZohdffFGlpaXq2rWrioqKtHXrVtWvX1+jR4+2fv7s2bPVqFEjRUVFadasWWrcuPFdP7zx8uXLmjp1qh577DHFxcXp5MmT2rVrl4YOHXpX1wVwZxhBAlBlpkyZoqCgIHXo0EFNmjTR8ePHK+3aS5Ys0ahRozR58mS1a9dOycnJ2rFjhzXac+3aNY0bN07t27dXv3791K5dO73zzjuSpGbNmunVV1/VjBkzFBUVpfHjx0uSfve73+m3v/2t0tPT1b59e/Xt21cff/yx4uLi3H7266+/rhdeeEEJCQnKy8vT2rVrrVGpOxUUFKSzZ89q1KhRatu2rYYNG6b+/fvr1VdfvavrArgzDmOM8XYjAMAffPbZZ+rRo4cKCwvLfW3IrTgcDq1Zs6ZSviJkzJgxOnfunD766KO7vhaAm2MECQCqweOPP67mzZvf8ee/+OIL1a9fXytXrqzEVgG4GdYgAUAVO3z4sCSV23FXEZ06dVJubq4kuT3+AEDVYIoNAADAhik2AAAAGwISAACADQEJAADAhoAEAABgQ0ACAACwISABAADYEJAAAABsCEgAAAA2/x+jYcaeKrSdvQAAAABJRU5ErkJggg==", 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" + ] + }, + "metadata": {}, + "output_type": "display_data" + } + ], + "source": [ + "import matplotlib.pyplot as plt\n", + "\n", + "f, ax = plt.subplots()\n", + "z.mstd.plot(marker='', ax=ax)\n", + "ax.set_ylabel('MSTD ' + ax.get_ylabel())\n", + "#ax.set_xlim(0, 7000)\n", + "#ax.set_ylim(0, 900)" + ] + }, + { + "cell_type": "code", + "execution_count": 11, + "metadata": {}, + "outputs": [ + { + "data": { + "image/svg+xml": [ + "\n", + "\n", + "\n", + " \n", + " \n", + " \n", + " \n", + " 2024-09-18T10:35:37.859180\n", + " image/svg+xml\n", + " \n", + " \n", + " Matplotlib v3.8.4, https://matplotlib.org/\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " 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"output_type": "stream", + "text": [ + "LinregressResult(slope=0.12498697643589399, intercept=-322.83439804737657, rvalue=0.9618269070541763, pvalue=5.864826091052724e-57, stderr=0.0035922273926911794, intercept_stderr=33.781265145998084)\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Likelihood Sampling: 100%|██████████| 1500/1500 [00:01<00:00, 885.21it/s] \n" + ] + } + ], + "source": [ + "start_of_diffusion = 4000 * sc.Unit('fs')\n", + "z.jump_diffusion(start_of_diffusion)" + ] + }, + { + "cell_type": "code", + "execution_count": 13, + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
\n", + "\n", + "\n", + "\n", + "\n", + "Show/Hide data repr\n", + "\n", + "\n", + "\n", + "\n", + "\n", + "Show/Hide attributes\n", + "\n", + "\n", + "\n", + "\n", + "\n", + "\n", + "
scipp.DataArray (5.87 KB out of 5.88 KB)
    • timestep: 139
    • dimensionality
      ()
      int64
      𝟙
      2
      Values:
      array(2)
    • n_samples
      (timestep)
      float64
      𝟙
      140.0, 70.0, ..., 1.014, 1.007
      Values:
      array([140.        ,  70.        ,  46.66666667,  35.        ,\n",
+       "        28.        ,  23.33333333,  20.        ,  17.5       ,\n",
+       "        15.55555556,  14.        ,  12.72727273,  11.66666667,\n",
+       "        10.76923077,  10.        ,   9.33333333,   8.75      ,\n",
+       "         8.23529412,   7.77777778,   7.36842105,   7.        ,\n",
+       "         6.66666667,   6.36363636,   6.08695652,   5.83333333,\n",
+       "         5.6       ,   5.38461538,   5.18518519,   5.        ,\n",
+       "         4.82758621,   4.66666667,   4.51612903,   4.375     ,\n",
+       "         4.24242424,   4.11764706,   4.        ,   3.88888889,\n",
+       "         3.78378378,   3.68421053,   3.58974359,   3.5       ,\n",
+       "         3.41463415,   3.33333333,   3.25581395,   3.18181818,\n",
+       "         3.11111111,   3.04347826,   2.9787234 ,   2.91666667,\n",
+       "         2.85714286,   2.8       ,   2.74509804,   2.69230769,\n",
+       "         2.64150943,   2.59259259,   2.54545455,   2.5       ,\n",
+       "         2.45614035,   2.4137931 ,   2.37288136,   2.33333333,\n",
+       "         2.29508197,   2.25806452,   2.22222222,   2.1875    ,\n",
+       "         2.15384615,   2.12121212,   2.08955224,   2.05882353,\n",
+       "         2.02898551,   2.        ,   1.97183099,   1.94444444,\n",
+       "         1.91780822,   1.89189189,   1.86666667,   1.84210526,\n",
+       "         1.81818182,   1.79487179,   1.7721519 ,   1.75      ,\n",
+       "         1.72839506,   1.70731707,   1.68674699,   1.66666667,\n",
+       "         1.64705882,   1.62790698,   1.6091954 ,   1.59090909,\n",
+       "         1.57303371,   1.55555556,   1.53846154,   1.52173913,\n",
+       "         1.50537634,   1.4893617 ,   1.47368421,   1.45833333,\n",
+       "         1.44329897,   1.42857143,   1.41414141,   1.4       ,\n",
+       "         1.38613861,   1.37254902,   1.3592233 ,   1.34615385,\n",
+       "         1.33333333,   1.32075472,   1.30841121,   1.2962963 ,\n",
+       "         1.28440367,   1.27272727,   1.26126126,   1.25      ,\n",
+       "         1.23893805,   1.22807018,   1.2173913 ,   1.20689655,\n",
+       "         1.1965812 ,   1.18644068,   1.17647059,   1.16666667,\n",
+       "         1.15702479,   1.14754098,   1.13821138,   1.12903226,\n",
+       "         1.12      ,   1.11111111,   1.1023622 ,   1.09375   ,\n",
+       "         1.08527132,   1.07692308,   1.06870229,   1.06060606,\n",
+       "         1.05263158,   1.04477612,   1.03703704,   1.02941176,\n",
+       "         1.02189781,   1.01449275,   1.00719424])
    • timestep
      (timestep)
      float64
      fs
      100.0, 200.0, ..., 1.380e+04, 1.390e+04
      Values:
      array([  100.,   200.,   300.,   400.,   500.,   600.,   700.,   800.,\n",
+       "         900.,  1000.,  1100.,  1200.,  1300.,  1400.,  1500.,  1600.,\n",
+       "        1700.,  1800.,  1900.,  2000.,  2100.,  2200.,  2300.,  2400.,\n",
+       "        2500.,  2600.,  2700.,  2800.,  2900.,  3000.,  3100.,  3200.,\n",
+       "        3300.,  3400.,  3500.,  3600.,  3700.,  3800.,  3900.,  4000.,\n",
+       "        4100.,  4200.,  4300.,  4400.,  4500.,  4600.,  4700.,  4800.,\n",
+       "        4900.,  5000.,  5100.,  5200.,  5300.,  5400.,  5500.,  5600.,\n",
+       "        5700.,  5800.,  5900.,  6000.,  6100.,  6200.,  6300.,  6400.,\n",
+       "        6500.,  6600.,  6700.,  6800.,  6900.,  7000.,  7100.,  7200.,\n",
+       "        7300.,  7400.,  7500.,  7600.,  7700.,  7800.,  7900.,  8000.,\n",
+       "        8100.,  8200.,  8300.,  8400.,  8500.,  8600.,  8700.,  8800.,\n",
+       "        8900.,  9000.,  9100.,  9200.,  9300.,  9400.,  9500.,  9600.,\n",
+       "        9700.,  9800.,  9900., 10000., 10100., 10200., 10300., 10400.,\n",
+       "       10500., 10600., 10700., 10800., 10900., 11000., 11100., 11200.,\n",
+       "       11300., 11400., 11500., 11600., 11700., 11800., 11900., 12000.,\n",
+       "       12100., 12200., 12300., 12400., 12500., 12600., 12700., 12800.,\n",
+       "       12900., 13000., 13100., 13200., 13300., 13400., 13500., 13600.,\n",
+       "       13700., 13800., 13900.])
    • (timestep)
      float64
      Å^2
      65.117, 115.886, ..., 1427.917, 1466.311
      σ = 5.399, 12.905, ..., 552.720, 113.922
      Values:
      array([  65.11730352,  115.88615718,  138.50934971,  159.50710102,\n",
+       "        172.49589676,  187.39718846,  187.17253614,  178.97022121,\n",
+       "        189.39756321,  198.07046452,  205.71706491,  226.10599247,\n",
+       "        234.68571824,  246.19365235,  237.7037397 ,  237.46564193,\n",
+       "        235.70095158,  234.78300116,  239.07797978,  234.86640782,\n",
+       "        239.93558682,  242.02149651,  241.83015433,  254.94616468,\n",
+       "        256.16573619,  243.22397635,  237.71054646,  239.68665867,\n",
+       "        247.25708544,  254.55670733,  266.1564255 ,  283.17971401,\n",
+       "        280.47052934,  268.94274088,  265.74392799,  263.21583081,\n",
+       "        250.89932895,  247.12090762,  257.52321844,  257.24559032,\n",
+       "        271.26299142,  280.32321889,  291.4054087 ,  306.70472367,\n",
+       "        301.08190381,  302.05652722,  307.80919725,  299.63781835,\n",
+       "        307.49243273,  326.41343308,  328.32907532,  347.15590273,\n",
+       "        363.71515506,  392.6992842 ,  414.80069317,  423.22454002,\n",
+       "        444.59290163,  452.1364187 ,  455.25348245,  449.32531039,\n",
+       "        454.07944639,  468.53587886,  492.85536186,  496.7601885 ,\n",
+       "        509.0738241 ,  514.24990709,  533.01834812,  549.08381392,\n",
+       "        551.04755622,  562.11629826,  558.0276029 ,  564.68514251,\n",
+       "        579.69253204,  583.50008871,  588.53408764,  594.32963755,\n",
+       "        591.37176374,  608.69934975,  617.24663415,  640.93971755,\n",
+       "        670.69041504,  667.16161623,  680.68839981,  708.18371222,\n",
+       "        725.75681481,  733.60851015,  741.72477298,  749.78515065,\n",
+       "        759.13192113,  772.53765693,  763.87971373,  757.2617589 ,\n",
+       "        770.46212122,  799.00932295,  831.29886904,  860.75196356,\n",
+       "        876.17970588,  890.33996416,  893.08160464,  888.87879559,\n",
+       "        911.19820406,  897.67051752,  887.95994896,  894.51134714,\n",
+       "        921.40240265,  932.74195034,  918.92265857,  866.64719608,\n",
+       "        830.46649376,  831.96451037,  825.57552936,  810.84216652,\n",
+       "        812.56689674,  847.95255704,  915.15674564,  959.76212695,\n",
+       "        992.71981395, 1060.58714142, 1120.86213756, 1128.7519017 ,\n",
+       "       1183.75983495, 1252.80982584, 1339.83979351, 1403.22996075,\n",
+       "       1456.97458581, 1469.13299826, 1473.23400538, 1452.81626583,\n",
+       "       1387.19564801, 1379.25408818, 1413.0408879 , 1497.41222381,\n",
+       "       1566.56095518, 1534.52256576, 1512.90969285, 1580.30030342,\n",
+       "       1493.49445391, 1427.91688812, 1466.31090302])

      Variances (σ²):
      array([2.91464546e+01, 1.66532723e+02, 2.86013445e+02, 5.35391976e+02,\n",
+       "       8.35238285e+02, 1.37174616e+03, 2.03263345e+03, 2.41464598e+03,\n",
+       "       2.36359040e+03, 2.64063914e+03, 3.16045849e+03, 3.92378038e+03,\n",
+       "       4.20106954e+03, 4.32794053e+03, 4.95830394e+03, 5.09924566e+03,\n",
+       "       6.15907887e+03, 8.09343049e+03, 8.10732315e+03, 7.99902855e+03,\n",
+       "       6.77266712e+03, 6.59492015e+03, 6.94044501e+03, 8.11434023e+03,\n",
+       "       9.45014661e+03, 9.94714621e+03, 7.68388891e+03, 7.14204458e+03,\n",
+       "       6.95541074e+03, 6.43135430e+03, 7.62871722e+03, 1.19721482e+04,\n",
+       "       1.42419042e+04, 1.37763189e+04, 1.07072349e+04, 1.07412526e+04,\n",
+       "       9.89079150e+03, 1.14540815e+04, 1.55913743e+04, 1.85416911e+04,\n",
+       "       2.62038133e+04, 3.04029068e+04, 2.52415414e+04, 2.61584565e+04,\n",
+       "       2.73682441e+04, 2.59276004e+04, 2.36439713e+04, 1.66012457e+04,\n",
+       "       1.90531176e+04, 1.91636471e+04, 1.95105064e+04, 2.67134582e+04,\n",
+       "       3.37142745e+04, 3.94649435e+04, 3.91806778e+04, 4.57098287e+04,\n",
+       "       5.52622129e+04, 5.71661327e+04, 5.17807600e+04, 6.01427938e+04,\n",
+       "       6.93095919e+04, 6.27463026e+04, 6.53316375e+04, 6.25686265e+04,\n",
+       "       6.29958231e+04, 6.44168941e+04, 6.83005563e+04, 8.91737941e+04,\n",
+       "       9.44303035e+04, 8.07319090e+04, 6.58010577e+04, 5.61076563e+04,\n",
+       "       5.00198920e+04, 5.36757238e+04, 6.73821505e+04, 8.91138999e+04,\n",
+       "       8.31225413e+04, 9.68330155e+04, 1.28539100e+05, 1.30124085e+05,\n",
+       "       1.25456010e+05, 9.76261570e+04, 8.33729087e+04, 9.37575820e+04,\n",
+       "       9.45048052e+04, 1.28360366e+05, 1.65367066e+05, 1.58476650e+05,\n",
+       "       1.73244804e+05, 1.72889980e+05, 1.22523038e+05, 1.02829948e+05,\n",
+       "       9.47060956e+04, 1.48477095e+05, 2.05527548e+05, 2.06090189e+05,\n",
+       "       2.37568794e+05, 2.78084010e+05, 2.55328083e+05, 2.36836095e+05,\n",
+       "       2.53349877e+05, 2.67287935e+05, 3.01528883e+05, 2.92204598e+05,\n",
+       "       3.36823330e+05, 3.90785839e+05, 3.60320082e+05, 2.29031250e+05,\n",
+       "       1.92129081e+05, 2.21174732e+05, 1.73126991e+05, 1.10378807e+05,\n",
+       "       1.17461669e+05, 1.41986416e+05, 1.94719427e+05, 2.03399665e+05,\n",
+       "       1.99893878e+05, 2.59219395e+05, 2.70771244e+05, 2.63594730e+05,\n",
+       "       3.87094054e+05, 4.16763001e+05, 4.62752531e+05, 6.21907334e+05,\n",
+       "       5.52553895e+05, 5.08681210e+05, 6.49172686e+05, 6.60282029e+05,\n",
+       "       4.04859520e+05, 3.57364866e+05, 4.92572319e+05, 7.16989408e+05,\n",
+       "       7.88874725e+05, 7.07743453e+05, 5.36487168e+05, 6.03744655e+05,\n",
+       "       7.06465588e+05, 3.05499177e+05, 1.29782444e+04])
" + ], + "text/plain": [ + "\n", + "Dimensions: Sizes[timestep:139, ]\n", + "Coordinates:\n", + "* dimensionality int64 [dimensionless] () 2\n", + "* n_samples float64 [dimensionless] (timestep) [140, 70, ..., 1.01449, 1.00719]\n", + "* timestep float64 [fs] (timestep) [100, 200, ..., 13800, 13900]\n", + "Data:\n", + " float64 [Å^2] (timestep) [65.1173, 115.886, ..., 1427.92, 1466.31] [29.1465, 166.533, ..., 305499, 12978.2]\n" + ] + }, + "execution_count": 13, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "z.mstd" + ] + }, + { + "cell_type": "code", + "execution_count": 14, + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
\n", + "\n", + "\n", + "\n", + "\n", + "Show/Hide data repr\n", + "\n", + "\n", + "\n", + "\n", + "\n", + "Show/Hide attributes\n", + "\n", + "\n", + "\n", + "\n", + "\n", + "\n", + "
scipp.DataArray (5.87 KB out of 5.88 KB)
    • timestep: 139
    • dimensionality
      ()
      int64
      𝟙
      2
      Values:
      array(2)
    • n_samples
      (timestep)
      float64
      𝟙
      140.0, 70.0, ..., 1.014, 1.007
      Values:
      array([140.        ,  70.        ,  46.66666667,  35.        ,\n",
+       "        28.        ,  23.33333333,  20.        ,  17.5       ,\n",
+       "        15.55555556,  14.        ,  12.72727273,  11.66666667,\n",
+       "        10.76923077,  10.        ,   9.33333333,   8.75      ,\n",
+       "         8.23529412,   7.77777778,   7.36842105,   7.        ,\n",
+       "         6.66666667,   6.36363636,   6.08695652,   5.83333333,\n",
+       "         5.6       ,   5.38461538,   5.18518519,   5.        ,\n",
+       "         4.82758621,   4.66666667,   4.51612903,   4.375     ,\n",
+       "         4.24242424,   4.11764706,   4.        ,   3.88888889,\n",
+       "         3.78378378,   3.68421053,   3.58974359,   3.5       ,\n",
+       "         3.41463415,   3.33333333,   3.25581395,   3.18181818,\n",
+       "         3.11111111,   3.04347826,   2.9787234 ,   2.91666667,\n",
+       "         2.85714286,   2.8       ,   2.74509804,   2.69230769,\n",
+       "         2.64150943,   2.59259259,   2.54545455,   2.5       ,\n",
+       "         2.45614035,   2.4137931 ,   2.37288136,   2.33333333,\n",
+       "         2.29508197,   2.25806452,   2.22222222,   2.1875    ,\n",
+       "         2.15384615,   2.12121212,   2.08955224,   2.05882353,\n",
+       "         2.02898551,   2.        ,   1.97183099,   1.94444444,\n",
+       "         1.91780822,   1.89189189,   1.86666667,   1.84210526,\n",
+       "         1.81818182,   1.79487179,   1.7721519 ,   1.75      ,\n",
+       "         1.72839506,   1.70731707,   1.68674699,   1.66666667,\n",
+       "         1.64705882,   1.62790698,   1.6091954 ,   1.59090909,\n",
+       "         1.57303371,   1.55555556,   1.53846154,   1.52173913,\n",
+       "         1.50537634,   1.4893617 ,   1.47368421,   1.45833333,\n",
+       "         1.44329897,   1.42857143,   1.41414141,   1.4       ,\n",
+       "         1.38613861,   1.37254902,   1.3592233 ,   1.34615385,\n",
+       "         1.33333333,   1.32075472,   1.30841121,   1.2962963 ,\n",
+       "         1.28440367,   1.27272727,   1.26126126,   1.25      ,\n",
+       "         1.23893805,   1.22807018,   1.2173913 ,   1.20689655,\n",
+       "         1.1965812 ,   1.18644068,   1.17647059,   1.16666667,\n",
+       "         1.15702479,   1.14754098,   1.13821138,   1.12903226,\n",
+       "         1.12      ,   1.11111111,   1.1023622 ,   1.09375   ,\n",
+       "         1.08527132,   1.07692308,   1.06870229,   1.06060606,\n",
+       "         1.05263158,   1.04477612,   1.03703704,   1.02941176,\n",
+       "         1.02189781,   1.01449275,   1.00719424])
    • timestep
      (timestep)
      float64
      fs
      100.0, 200.0, ..., 1.380e+04, 1.390e+04
      Values:
      array([  100.,   200.,   300.,   400.,   500.,   600.,   700.,   800.,\n",
+       "         900.,  1000.,  1100.,  1200.,  1300.,  1400.,  1500.,  1600.,\n",
+       "        1700.,  1800.,  1900.,  2000.,  2100.,  2200.,  2300.,  2400.,\n",
+       "        2500.,  2600.,  2700.,  2800.,  2900.,  3000.,  3100.,  3200.,\n",
+       "        3300.,  3400.,  3500.,  3600.,  3700.,  3800.,  3900.,  4000.,\n",
+       "        4100.,  4200.,  4300.,  4400.,  4500.,  4600.,  4700.,  4800.,\n",
+       "        4900.,  5000.,  5100.,  5200.,  5300.,  5400.,  5500.,  5600.,\n",
+       "        5700.,  5800.,  5900.,  6000.,  6100.,  6200.,  6300.,  6400.,\n",
+       "        6500.,  6600.,  6700.,  6800.,  6900.,  7000.,  7100.,  7200.,\n",
+       "        7300.,  7400.,  7500.,  7600.,  7700.,  7800.,  7900.,  8000.,\n",
+       "        8100.,  8200.,  8300.,  8400.,  8500.,  8600.,  8700.,  8800.,\n",
+       "        8900.,  9000.,  9100.,  9200.,  9300.,  9400.,  9500.,  9600.,\n",
+       "        9700.,  9800.,  9900., 10000., 10100., 10200., 10300., 10400.,\n",
+       "       10500., 10600., 10700., 10800., 10900., 11000., 11100., 11200.,\n",
+       "       11300., 11400., 11500., 11600., 11700., 11800., 11900., 12000.,\n",
+       "       12100., 12200., 12300., 12400., 12500., 12600., 12700., 12800.,\n",
+       "       12900., 13000., 13100., 13200., 13300., 13400., 13500., 13600.,\n",
+       "       13700., 13800., 13900.])
    • (timestep)
      float64
      Å^2
      65.117, 115.886, ..., 1427.917, 1466.311
      σ = 5.399, 12.905, ..., 552.720, 113.922
      Values:
      array([  65.11730352,  115.88615718,  138.50934971,  159.50710102,\n",
+       "        172.49589676,  187.39718846,  187.17253614,  178.97022121,\n",
+       "        189.39756321,  198.07046452,  205.71706491,  226.10599247,\n",
+       "        234.68571824,  246.19365235,  237.7037397 ,  237.46564193,\n",
+       "        235.70095158,  234.78300116,  239.07797978,  234.86640782,\n",
+       "        239.93558682,  242.02149651,  241.83015433,  254.94616468,\n",
+       "        256.16573619,  243.22397635,  237.71054646,  239.68665867,\n",
+       "        247.25708544,  254.55670733,  266.1564255 ,  283.17971401,\n",
+       "        280.47052934,  268.94274088,  265.74392799,  263.21583081,\n",
+       "        250.89932895,  247.12090762,  257.52321844,  257.24559032,\n",
+       "        271.26299142,  280.32321889,  291.4054087 ,  306.70472367,\n",
+       "        301.08190381,  302.05652722,  307.80919725,  299.63781835,\n",
+       "        307.49243273,  326.41343308,  328.32907532,  347.15590273,\n",
+       "        363.71515506,  392.6992842 ,  414.80069317,  423.22454002,\n",
+       "        444.59290163,  452.1364187 ,  455.25348245,  449.32531039,\n",
+       "        454.07944639,  468.53587886,  492.85536186,  496.7601885 ,\n",
+       "        509.0738241 ,  514.24990709,  533.01834812,  549.08381392,\n",
+       "        551.04755622,  562.11629826,  558.0276029 ,  564.68514251,\n",
+       "        579.69253204,  583.50008871,  588.53408764,  594.32963755,\n",
+       "        591.37176374,  608.69934975,  617.24663415,  640.93971755,\n",
+       "        670.69041504,  667.16161623,  680.68839981,  708.18371222,\n",
+       "        725.75681481,  733.60851015,  741.72477298,  749.78515065,\n",
+       "        759.13192113,  772.53765693,  763.87971373,  757.2617589 ,\n",
+       "        770.46212122,  799.00932295,  831.29886904,  860.75196356,\n",
+       "        876.17970588,  890.33996416,  893.08160464,  888.87879559,\n",
+       "        911.19820406,  897.67051752,  887.95994896,  894.51134714,\n",
+       "        921.40240265,  932.74195034,  918.92265857,  866.64719608,\n",
+       "        830.46649376,  831.96451037,  825.57552936,  810.84216652,\n",
+       "        812.56689674,  847.95255704,  915.15674564,  959.76212695,\n",
+       "        992.71981395, 1060.58714142, 1120.86213756, 1128.7519017 ,\n",
+       "       1183.75983495, 1252.80982584, 1339.83979351, 1403.22996075,\n",
+       "       1456.97458581, 1469.13299826, 1473.23400538, 1452.81626583,\n",
+       "       1387.19564801, 1379.25408818, 1413.0408879 , 1497.41222381,\n",
+       "       1566.56095518, 1534.52256576, 1512.90969285, 1580.30030342,\n",
+       "       1493.49445391, 1427.91688812, 1466.31090302])

      Variances (σ²):
      array([2.91464546e+01, 1.66532723e+02, 2.86013445e+02, 5.35391976e+02,\n",
+       "       8.35238285e+02, 1.37174616e+03, 2.03263345e+03, 2.41464598e+03,\n",
+       "       2.36359040e+03, 2.64063914e+03, 3.16045849e+03, 3.92378038e+03,\n",
+       "       4.20106954e+03, 4.32794053e+03, 4.95830394e+03, 5.09924566e+03,\n",
+       "       6.15907887e+03, 8.09343049e+03, 8.10732315e+03, 7.99902855e+03,\n",
+       "       6.77266712e+03, 6.59492015e+03, 6.94044501e+03, 8.11434023e+03,\n",
+       "       9.45014661e+03, 9.94714621e+03, 7.68388891e+03, 7.14204458e+03,\n",
+       "       6.95541074e+03, 6.43135430e+03, 7.62871722e+03, 1.19721482e+04,\n",
+       "       1.42419042e+04, 1.37763189e+04, 1.07072349e+04, 1.07412526e+04,\n",
+       "       9.89079150e+03, 1.14540815e+04, 1.55913743e+04, 1.85416911e+04,\n",
+       "       2.62038133e+04, 3.04029068e+04, 2.52415414e+04, 2.61584565e+04,\n",
+       "       2.73682441e+04, 2.59276004e+04, 2.36439713e+04, 1.66012457e+04,\n",
+       "       1.90531176e+04, 1.91636471e+04, 1.95105064e+04, 2.67134582e+04,\n",
+       "       3.37142745e+04, 3.94649435e+04, 3.91806778e+04, 4.57098287e+04,\n",
+       "       5.52622129e+04, 5.71661327e+04, 5.17807600e+04, 6.01427938e+04,\n",
+       "       6.93095919e+04, 6.27463026e+04, 6.53316375e+04, 6.25686265e+04,\n",
+       "       6.29958231e+04, 6.44168941e+04, 6.83005563e+04, 8.91737941e+04,\n",
+       "       9.44303035e+04, 8.07319090e+04, 6.58010577e+04, 5.61076563e+04,\n",
+       "       5.00198920e+04, 5.36757238e+04, 6.73821505e+04, 8.91138999e+04,\n",
+       "       8.31225413e+04, 9.68330155e+04, 1.28539100e+05, 1.30124085e+05,\n",
+       "       1.25456010e+05, 9.76261570e+04, 8.33729087e+04, 9.37575820e+04,\n",
+       "       9.45048052e+04, 1.28360366e+05, 1.65367066e+05, 1.58476650e+05,\n",
+       "       1.73244804e+05, 1.72889980e+05, 1.22523038e+05, 1.02829948e+05,\n",
+       "       9.47060956e+04, 1.48477095e+05, 2.05527548e+05, 2.06090189e+05,\n",
+       "       2.37568794e+05, 2.78084010e+05, 2.55328083e+05, 2.36836095e+05,\n",
+       "       2.53349877e+05, 2.67287935e+05, 3.01528883e+05, 2.92204598e+05,\n",
+       "       3.36823330e+05, 3.90785839e+05, 3.60320082e+05, 2.29031250e+05,\n",
+       "       1.92129081e+05, 2.21174732e+05, 1.73126991e+05, 1.10378807e+05,\n",
+       "       1.17461669e+05, 1.41986416e+05, 1.94719427e+05, 2.03399665e+05,\n",
+       "       1.99893878e+05, 2.59219395e+05, 2.70771244e+05, 2.63594730e+05,\n",
+       "       3.87094054e+05, 4.16763001e+05, 4.62752531e+05, 6.21907334e+05,\n",
+       "       5.52553895e+05, 5.08681210e+05, 6.49172686e+05, 6.60282029e+05,\n",
+       "       4.04859520e+05, 3.57364866e+05, 4.92572319e+05, 7.16989408e+05,\n",
+       "       7.88874725e+05, 7.07743453e+05, 5.36487168e+05, 6.03744655e+05,\n",
+       "       7.06465588e+05, 3.05499177e+05, 1.29782444e+04])
" + ], + "text/plain": [ + "\n", + "Dimensions: Sizes[timestep:139, ]\n", + "Coordinates:\n", + "* dimensionality int64 [dimensionless] () 2\n", + "* n_samples float64 [dimensionless] (timestep) [140, 70, ..., 1.01449, 1.00719]\n", + "* timestep float64 [fs] (timestep) [100, 200, ..., 13800, 13900]\n", + "Data:\n", + " float64 [Å^2] (timestep) [65.1173, 115.886, ..., 1427.92, 1466.31] [29.1465, 166.533, ..., 305499, 12978.2]\n" + ] + }, + "execution_count": 14, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "z.mstd" + ] + }, + { + "cell_type": "code", + "execution_count": 15, + "metadata": {}, + "outputs": [ + { + "data": { + "image/svg+xml": [ + "\n", + "\n", + "\n", + " \n", + " \n", + " \n", + " \n", + " 2024-09-18T10:35:39.874209\n", + " image/svg+xml\n", + " \n", + " \n", + " Matplotlib v3.8.4, https://matplotlib.org/\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " 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"source": [ + "f = sc.counts_to_density(z.diff.D_J.hist(samples=40), dim='samples').plot()\n", + "f.canvas.xlabel = f'D* [{z.diff.D_J.unit}]'\n", + "f.canvas.ymin = 0\n", + "f" + ] + }, + { + "cell_type": "code", + "execution_count": 16, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "140.0" + ] + }, + "execution_count": 16, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "z.mstd.coords['n_samples'][0].value" + ] + }, + { + "cell_type": "code", + "execution_count": 17, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "" + ] + }, + "execution_count": 17, + "metadata": {}, + "output_type": "execute_result" + }, + { + "data": { + "image/png": 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"execution_count": 20, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "array([5.02098041e-06, 2.43708480e-05, 9.09908957e-07, ...,\n", + " 4.27430280e-06, 1.97187510e-05, 3.46874166e-06])" + ] + }, + "execution_count": 20, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "z.diff.gradient.values" + ] + }, + { + "cell_type": "code", + "execution_count": 21, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "array([-524.78044299, -524.70441742, -524.8063078 , ..., -524.79192801,\n", + " -524.72452201, -524.78618575])" + ] + }, + "execution_count": 21, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + " z.diff.intercept.values" + ] + }, + { + "cell_type": "code", + "execution_count": 22, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "\n", + " timestep: (timestep: 139) float64 [fs] [100, 200, ..., 13800, 13900]\n", + " n_samples: (timestep: 139) float64 [dimensionless] [140, 70, ..., 1.01449, 1.00719]\n", + " dimensionality: () int64 [dimensionless] 2" + ] + }, + "execution_count": 22, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "z.mstd.coords" + ] + }, + { + "cell_type": "code", + "execution_count": 23, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "\n", + " timestep: (timestep: 140) float64 [fs] [100, 200, ..., 13900, 14000]\n", + " n_samples: (timestep: 140) float64 [dimensionless] [26880, 13440, ..., 193.381, 192]\n", + " dimensionality: () int64 [dimensionless] 2" + ] + }, + "execution_count": 23, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "p.msd.coords" + ] + }, + { + "cell_type": "code", + "execution_count": 24, + "metadata": {}, + "outputs": [ + { + "data": { + "image/svg+xml": [ + "\n", + "\n", + "\n", + " \n", + " \n", + " \n", + " \n", + " 2024-09-18T10:35:40.137860\n", + " image/svg+xml\n", + " \n", + " \n", + " Matplotlib v3.8.4, 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+ "f.canvas.ymax = 1000\n", + "\n", + "f" + ] + }, + { + "cell_type": "code", + "execution_count": 25, + "metadata": {}, + "outputs": [ + { + "data": { + "text/plain": [ + "array([[-524.77994089, -524.70198034, -524.80621681, ..., -524.79150058,\n", + " -524.72255014, -524.78583887],\n", + " [-524.77943879, -524.69954325, -524.80612582, ..., -524.79107315,\n", + " -524.72057826, -524.785492 ],\n", + " [-524.77893669, -524.69710617, -524.80603483, ..., -524.79064572,\n", + " -524.71860639, -524.78514512],\n", + " ...,\n", + " [-524.71165555, -524.37053681, -524.79384205, ..., -524.73337006,\n", + " -524.45437513, -524.73866399],\n", + " [-524.71115346, -524.36809972, -524.79375106, ..., -524.73294263,\n", + " -524.45240325, -524.73831711],\n", + " [-524.71065136, -524.36566264, -524.79366007, ..., -524.7325152 ,\n", + " -524.45043138, -524.73797024]])" + ] + }, + "execution_count": 25, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "z.distributions" + ] + 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scipp.Variable (264 Bytes out of 1.34 KB)
    • ()
      float64
      fs
      100.0
      Values:
      array(100.)
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scipp.Variable (264 Bytes out of 1.34 KB)
    • ()
      float64
      𝟙
      140.0
      Values:
      array(140.)
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"text/html": [ + "
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scipp.Variable (1.34 KB)
    • (timestep: 140)
      float64
      𝟙
      2.688e+04, 1.344e+04, ..., 193.381, 192.0
      Values:
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+       "        5376.        ,  4480.        ,  3840.        ,  3360.        ,\n",
+       "        2986.66666667,  2688.        ,  2443.63636364,  2240.        ,\n",
+       "        2067.69230769,  1920.        ,  1792.        ,  1680.        ,\n",
+       "        1581.17647059,  1493.33333333,  1414.73684211,  1344.        ,\n",
+       "        1280.        ,  1221.81818182,  1168.69565217,  1120.        ,\n",
+       "        1075.2       ,  1033.84615385,   995.55555556,   960.        ,\n",
+       "         926.89655172,   896.        ,   867.09677419,   840.        ,\n",
+       "         814.54545455,   790.58823529,   768.        ,   746.66666667,\n",
+       "         726.48648649,   707.36842105,   689.23076923,   672.        ,\n",
+       "         655.6097561 ,   640.        ,   625.11627907,   610.90909091,\n",
+       "         597.33333333,   584.34782609,   571.91489362,   560.        ,\n",
+       "         548.57142857,   537.6       ,   527.05882353,   516.92307692,\n",
+       "         507.16981132,   497.77777778,   488.72727273,   480.        ,\n",
+       "         471.57894737,   463.44827586,   455.59322034,   448.        ,\n",
+       "         440.6557377 ,   433.5483871 ,   426.66666667,   420.        ,\n",
+       "         413.53846154,   407.27272727,   401.19402985,   395.29411765,\n",
+       "         389.56521739,   384.        ,   378.5915493 ,   373.33333333,\n",
+       "         368.21917808,   363.24324324,   358.4       ,   353.68421053,\n",
+       "         349.09090909,   344.61538462,   340.25316456,   336.        ,\n",
+       "         331.85185185,   327.80487805,   323.85542169,   320.        ,\n",
+       "         316.23529412,   312.55813953,   308.96551724,   305.45454545,\n",
+       "         302.02247191,   298.66666667,   295.38461538,   292.17391304,\n",
+       "         289.03225806,   285.95744681,   282.94736842,   280.        ,\n",
+       "         277.11340206,   274.28571429,   271.51515152,   268.8       ,\n",
+       "         266.13861386,   263.52941176,   260.97087379,   258.46153846,\n",
+       "         256.        ,   253.58490566,   251.21495327,   248.88888889,\n",
+       "         246.60550459,   244.36363636,   242.16216216,   240.        ,\n",
+       "         237.87610619,   235.78947368,   233.73913043,   231.72413793,\n",
+       "         229.74358974,   227.79661017,   225.88235294,   224.        ,\n",
+       "         222.14876033,   220.32786885,   218.53658537,   216.77419355,\n",
+       "         215.04      ,   213.33333333,   211.65354331,   210.        ,\n",
+       "         208.37209302,   206.76923077,   205.19083969,   203.63636364,\n",
+       "         202.10526316,   200.59701493,   199.11111111,   197.64705882,\n",
+       "         196.20437956,   194.7826087 ,   193.38129496,   192.        ])
" + ], + "text/plain": [ + " (timestep: 140) float64 [dimensionless] [26880, 13440, ..., 193.381, 192]" + ] + }, + "execution_count": 29, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "p.msd.coords['n_samples']" + ] + }, + { + "cell_type": "code", + "execution_count": 30, + "metadata": {}, + "outputs": [ + { + "name": "stdout", + "output_type": "stream", + "text": [ + "LinregressResult(slope=0.00048628126918804775, intercept=0.9516941078683825, rvalue=0.9978069674717333, pvalue=2.240219216747027e-130, stderr=3.0897764505983525e-06, intercept_stderr=0.028067122927647875)\n" + ] + }, + { + "name": "stderr", + "output_type": "stream", + "text": [ + "Likelihood Sampling: 100%|██████████| 1500/1500 [00:01<00:00, 922.12it/s] \n" + ] + } + ], + "source": [ + "start_of_diffusion = 3000 * sc.Unit('fs')\n", + "p.diffusion(start_of_diffusion)" + ] + }, + { + "cell_type": "code", + "execution_count": 31, + "metadata": {}, + "outputs": [ + { + "data": { + "text/html": [ + "
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scipp.Variable (25.25 KB)
    • (samples: 3200)
      float64
      cm^2/s
      1.110e-05, 1.326e-05, ..., 1.309e-05, 1.114e-05
      Values:
      array([1.11031813e-05, 1.32568518e-05, 1.39464115e-05, ...,\n",
+       "       1.23044220e-05, 1.30908081e-05, 1.11402587e-05])
" + ], + "text/plain": [ + " (samples: 3200) float64 [cm^2/s] [1.11032e-05, 1.32569e-05, ..., 1.30908e-05, 1.11403e-05]" + ] + }, + "execution_count": 31, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "p.diff.D" + ] + }, + { + "cell_type": "code", + "execution_count": 32, + "metadata": {}, + "outputs": [ + { + "data": { + "image/svg+xml": [ + "\n", + "\n", + "\n", + " \n", + " \n", + " \n", + " \n", + " 2024-09-18T10:35:42.212087\n", + " image/svg+xml\n", + " \n", + " \n", + " Matplotlib v3.8.4, https://matplotlib.org/\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", 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p.msd.coords['timestep'].values[:, np.newaxis] + p.diff.intercept.values" + ] + }, + { + "cell_type": "code", + "execution_count": 35, + "metadata": {}, + "outputs": [ + { + "data": { + "image/svg+xml": [ + "\n", + "\n", + "\n", + " \n", + " \n", + " \n", + " \n", + " 2024-09-18T10:35:42.377903\n", + " image/svg+xml\n", + " \n", + " \n", + " Matplotlib v3.8.4, https://matplotlib.org/\n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " \n", + " 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artists)" + ] + }, + "execution_count": 35, + "metadata": {}, + "output_type": "execute_result" + } + ], + "source": [ + "credible_intervals = [[16, 84], [2.5, 97.5], [0.15, 99.85]]\n", + "alpha = [0.6, 0.4, 0.2]\n", + "\n", + "f = p.msd.plot(marker='', ls='-', errorbars=False, color='k')\n", + "for i, ci in enumerate(credible_intervals): \n", + " f.ax.fill_between(p.msd.coords['timestep'].values,\n", + " *np.percentile(distributions, ci, axis=1),\n", + " alpha=alpha[i],\n", + " color='#0173B2',\n", + " lw=0)\n", + "f.canvas.ylabel = 'MSD ' + f.canvas.ylabel\n", + "f.canvas.xmin = 0\n", + "f.canvas.ymin = 0\n", + "f" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "metadata": {}, + "outputs": [], + "source": [] + } + ], + "metadata": { + "kernelspec": { + "display_name": "kinisi", + "language": "python", + "name": "python3" + }, + "language_info": { + "codemirror_mode": { + "name": "ipython", + "version": 3 + }, + "file_extension": ".py", + "mimetype": "text/x-python", + "name": "python", + "nbconvert_exporter": "python", + "pygments_lexer": "ipython3", + "version": "3.12.4" + } + }, + "nbformat": 4, + "nbformat_minor": 2 +} diff --git a/kinisi/diffusion.py b/kinisi/diffusion.py index 852d66b..50118cc 100644 --- a/kinisi/diffusion.py +++ b/kinisi/diffusion.py @@ -28,6 +28,7 @@ def __init__(self, msd: sc.DataArray): self.gradient = None self.intercept = None self._diffusion_coefficient = None + self.jump_diffusion_coefficient = None self._start_dt = None self._cond_max = None self._covariance_matrix = None @@ -93,6 +94,7 @@ def log_likelihood(theta: np.ndarray) -> float: return logl ols = linregress(x_values, y_values) + print(ols) slope = ols.slope intercept = 1e-20 if slope < 0: @@ -135,12 +137,33 @@ def diffusion(self, start_dt: sc.Variable, **kwargs): self.bayesian_regression(start_dt=start_dt, **kwargs) self._diffusion_coefficient = sc.to_unit(self.gradient / (2 * self.msd.coords['dimensionality'].value), 'cm2/s') + + def jump_diffusion(self, start_dt: sc.Variable, **kwargs): + """ + Calculation of the diffusion coefficient. + + :param start_dt: The time at which the diffusion regime begins. + :param kwargs: Additional keyword arguments to pass to :py:func:`bayesian_regression`. + """ + + self.bayesian_regression(start_dt=start_dt, **kwargs) + # * self.msd.coords['n_samples'][0].value + self._jump_diffusion_coefficient = sc.to_unit(self.gradient / (2 * self.msd.coords['dimensionality'].value * 192), 'cm2/s') + @property def D(self) -> sc.Variable: """ :return: The diffusion coefficient as a :py:mod:`scipp` object. """ return self._diffusion_coefficient + + + @property + def D_J(self) -> sc.Variable: + """ + :return: The jump diffusion coefficient as a :py:mod:`scipp` object. + """ + return self._jump_diffusion_coefficient def compute_covariance_matrix(self) -> sc.Variable: """ diff --git a/kinisi/jump_diffusion_analyzer.py b/kinisi/jump_diffusion_analyzer.py index 4503496..6cf5d32 100644 --- a/kinisi/jump_diffusion_analyzer.py +++ b/kinisi/jump_diffusion_analyzer.py @@ -9,8 +9,11 @@ from typing import Union, List import numpy as np -from kinisi import diffusion -from .analyzer import Analyzer +import scipp as sc +from kinisi.displacement import calculate_mstd +from kinisi.diffusion import Diffusion +from kinisi.parser import Parser, PymatgenParser +from kinisi.analyzer import Analyzer class JumpDiffusionAnalyzer(Analyzer): @@ -31,218 +34,74 @@ class JumpDiffusionAnalyzer(Analyzer): the appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. """ - def __init__(self, delta_t: np.ndarray, disp_3d: List[np.ndarray], n_o: np.ndarray, volume: float): - super().__init__(delta_t, disp_3d, n_o, volume) - self._diff = None - - def to_dict(self) -> dict: - """ - :return: Dictionary description of :py:class:`JumpDiffusionAnalyzer`. - """ - my_dict = super().to_dict() - my_dict['diff'] = self._diff.to_dict() - return my_dict - - @classmethod - def from_dict(cls, my_dict) -> 'JumpDiffusionAnalyzer': - """ - Generate a :py:class:`DiffusionAnalyzer` object from a dictionary. - - :param my_dict: The input dictionary. - - :return: New :py:class:`DiffusionAnalyzer` object. - """ - jdiff_anal = cls(my_dict['delta_t'], my_dict['disp_3d'], my_dict['n_o'], my_dict['volume']) - jdiff_anal._diff = diffusion.Bootstrap.from_dict(my_dict['diff']) - return jdiff_anal - - @classmethod - def from_pymatgen(cls, - trajectory: List[Union['pymatgen.core.structure.Structure', - List['pymatgen.core.structure.Structure']]], - parser_params: dict, - dtype: str = None, - uncertainty_params: dict = None): - """ - Create a :py:class:`JumpDiffusionAnalyzer` object from a list or nested list of - :py:class:`pymatgen.core.structure.Structure` objects. - - :param trajectory: The list or nested list of structures to be analysed. - :param parser_params: The parameters for the :py:class:`kinisi.parser.PymatgenParser` object. See the - appropriate documentation for more guidance on this dictionary. - :param dtype: If :py:attr:`trajectory` is a list of :py:class:`pymatgen.core.structure.Structure` objects, - this should be :py:attr:`None`. However, if a list of lists is passed, then it is necessary to identify if - these constitute a series of :py:attr:`consecutive` trajectories or a series of :py:attr:`identical` - starting points with different random seeds, in which case the `dtype` should be either - :py:attr:`consecutive` or :py:attr:`identical`. - :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the - appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. - - :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. - """ - if uncertainty_params is None: - uncertainty_params = {} - jdiff_anal = super()._from_pymatgen(trajectory, parser_params, dtype=dtype) - jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, - **uncertainty_params) - return jdiff_anal - - @classmethod - def from_ase(cls, - trajectory: List[Union['ase.atoms.Atoms', List['ase.atoms.Atoms']]], - parser_params: dict, - dtype: str = None, - uncertainty_params: dict = None): - """ - Create a :py:class:`JumpDiffusionAnalyzer` object from a list or nested list of - :py:class:`ase.atoms.Atoms` objects. - - :param trajectory: The list or nested list of structures to be analysed. - :param parser_params: The parameters for the :py:class:`kinisi.parser.AseParser` object. See the - appropriate documentation for more guidance on this dictionary. - :param dtype: If :py:attr:`trajectory` is a list of :py:class:`ase.atoms.Atoms` objects, - this should be :py:attr:`None`. However, if a list of lists is passed, then it is necessary to identify if - these constitute a series of :py:attr:`consecutive` trajectories or a series of :py:attr:`identical` - starting points with different random seeds, in which case the `dtype` should be either - :py:attr:`consecutive` or :py:attr:`identical`. - :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the - appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. - - :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. - """ - if uncertainty_params is None: - uncertainty_params = {} - jdiff_anal = super()._from_ase(trajectory, parser_params, dtype=dtype) - jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, - **uncertainty_params) - return jdiff_anal + def __init__(self, trajectory: Parser) -> None: + super().__init__(trajectory) + self.mstd = None @classmethod def from_Xdatcar(cls, - trajectory: Union['pymatgen.io.vasp.outputs.Xdatcar', List['pymatgen.io.vasp.outputs.Xdatcar']], - parser_params: dict, - dtype: str = None, - uncertainty_params: dict = None): - """ - Create a :py:class:`JumpDiffusionAnalyzer` object from a single or a list of + trajectory: Union['pymatgen.io.vasp.outputs.Xdatcar', + List['pymatgen.io.vasp.outputs.Xdatcar']], + specie: Union['pymatgen.core.periodic_table.Element', 'pymatgen.core.periodic_table.Specie'], + time_step: sc.Variable, + step_skip: sc.Variable, + dtype: Union[str, None] = None, + dt: sc.Variable = None, + dimension: str = 'xyz', + distance_unit: sc.Unit = sc.units.angstrom, + progress: bool = True) -> 'DiffusionAnalyzer': + """ + Constructs the necessary :py:mod:`kinisi` objects for analysis from a single or a list of :py:class:`pymatgen.io.vasp.outputs.Xdatcar` objects. - :param trajectory: The Xdatcar or list of Xdatcar objects to be analysed. - :param parser_params: The parameters for the :py:class:`kinisi.parser.PymatgenParser` object. See the - appropriate documentation for more guidance on this dictionary. + :param trajectory: The :py:class:`pymatgen.io.vasp.outputs.Xdatcar` or list of these that should be parsed. + :param specie: Specie to calculate diffusivity for as a String, e.g. :py:attr:`'Li'`. + :param time_step: The input simulation time step, i.e., the time step for the molecular dynamics integrator. Note, + that this must be given as a :py:mod:`scipp`-type scalar. The unit used for the time_step, will be the unit + that is use for the time interval values. + :param step_skip: Sampling freqency of the simulation trajectory, i.e., how many time steps exist between the + output of the positions in the trajectory. Similar to the :py:attr:`time_step`, this parameter must be + a :py:mod:`scipp` scalar. The units for this scalar should be dimensionless. :param dtype: If :py:attr:`trajectory` is a :py:class:`pymatgen.io.vasp.outputs.Xdatcar` object, this should be :py:attr:`None`. However, if a list of :py:class:`pymatgen.io.vasp.outputs.Xdatcar` objects is passed, - then it is necessary to identify if these constitute a series of :py:attr:`consecutive` trajectories or a - series of :py:attr:`identical` starting points with different random seeds, in which case the `dtype` - should be either :py:attr:`consecutive` or :py:attr:`identical`. - :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the - appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. - - :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. - """ - if uncertainty_params is None: - uncertainty_params = {} - jdiff_anal = super()._from_Xdatcar(trajectory, parser_params, dtype=dtype) - jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, - **uncertainty_params) - return jdiff_anal - - @classmethod - def from_file(cls, - trajectory: Union[str, List[str]], - parser_params: dict, - dtype: str = None, - uncertainty_params: dict = None): - """ - Create a :py:class:`JumpDiffusionAnalyzer` object from a single or a list of Xdatcar file(s). - - :param trajectory: The file or list of Xdatcar files to be analysed. - :param parser_params: The parameters for the :py:class:`kinisi.parser.PymatgenParser` object. See the - appropriate documentation for more guidance on this dictionary. - :param dtype: If :py:attr:`trajectory` is a single file, this should be :py:attr:`None`. However, if a - list of files is passed, then it is necessary to identify if these constitute a series of - :py:attr:`consecutive` trajectories or a series of :py:attr:`identical` starting points with different - random seeds, in which case the `dtype` should be either :py:attr:`consecutive` or :py:attr:`identical`. - :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the - appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. - - :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. - """ - if uncertainty_params is None: - uncertainty_params = {} - jdiff_anal = super()._from_file(trajectory, parser_params, dtype=dtype) - jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, - **uncertainty_params) - return jdiff_anal - - @classmethod - def from_universe(cls, - trajectory: 'MDAnalysis.core.universe.Universe', - parser_params: dict, - dtype: str = None, - uncertainty_params: dict = None): - """ - Create an :py:class:`JumpDiffusionAnalyzer` object from an :py:class:`MDAnalysis.core.universe.Universe` object. - - :param trajectory: The universe to be analysed. - :param parser_params: The parameters for the :py:class:`kinisi.parser.MDAnalysisParser` object. - See the appropriate documention for more guidance on this dictionary. - :param dtype: If :py:attr:`trajectory` is a single file, this should be :py:attr:`None`. However, if a - list of files is passed, then it is necessary to identify that these constitute a series of - :py:attr:`identical` starting points with different random seeds, in which case the `dtype` should - be :py:attr:`identical`. For a series of consecutive trajectories, please construct the relevant - object using :py:mod:`MDAnalysis`. - :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the - appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. - - :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. - """ - if uncertainty_params is None: - uncertainty_params = {} - jdiff_anal = super()._from_universe(trajectory, parser_params, dtype=dtype) - jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, - **uncertainty_params) - return jdiff_anal - - def jump_diffusion(self, start_dt: float, jump_diffusion_params: Union[dict, None] = None): + then it is necessary to identify if these constitute a series of :py:attr:`consecutive` trajectories or + a series of :py:attr:`identical` starting points with different random seeds, in which case the `dtype` + should be either :py:attr:`consecutive` or :py:attr:`identical`.: + :param dt: Time intervals to calculate the displacements over. Optional, defaults to a :py:mod:`scipp` array + ranging from the smallest interval (i.e., time_step * step_skip) to the full simulation length, with + a step size the same as the smallest interval. + :param dimension: Dimension/s to find the displacement along, this should be some subset of `'xyz'` indicating + the axes of interest. Optional, defaults to `'xyz'`. + :param distance_unit: The unit of distance in the simulation input. This should be a :py:mod:`scipp` unit and + defaults to :py:attr:`sc.units.angstrom`. + :param progress: Print progress bars to screen. Optional, defaults to :py:attr:`True`. + + :returns: The :py:class:`DiffusionAnalyzer` object with the mean-squared displacement calculated. """ - Calculate the jump diffusion coefficicent using the bootstrap-GLS methodology. + p = super()._from_Xdatcar(trajectory, specie, time_step, step_skip, dtype, dt, dimension, distance_unit, progress) + p.mstd = calculate_mstd(p.trajectory, progress) + return p - :param start_dt: The starting time for the analysis to find the diffusion coefficient. - This should be the start of the diffusive regime in the simulation. - :param ump_diffusion_params: The parameters for the :py:class:`kinisi.diffusion.MSTDBootstrap` - object. See the appropriate documentation for more guidance on this. Optional, default is the - default bootstrap parameters. - """ - if jump_diffusion_params is None: - jump_diffusion_params = {} - self._diff.jump_diffusion(start_dt, **jump_diffusion_params) - @property - def mstd(self) -> np.ndarray: - """ - :return: MSTD for the input trajectories. Note that this is the bootstrap sampled MSD, not the numerical - average from the data. - """ - return self._diff.n - @property - def mstd_std(self) -> np.ndarray: - """ - :return: MSD standard deviation values for the input trajectories (a single standard deviation). - """ - return self._diff.s - @property - def D_J(self) -> 'uravu.distribution.Distribution': + def jump_diffusion(self, start_dt: sc.Variable, diffusion_params: Union[dict, None] = None) -> None: """ - :return: Jump diffusion coefficient + Calculate the jump diffusion coefficient using the mean-squared total displacement data. + + :param start_dt: The time at which the diffusion regime begins. + :param diffusion_params: The keyword arguements for the diffusion calculation + (see :py:func:`diffusion.bayesian_regression`). Optional, defaults to :py:attr:`None`. """ - return self._diff.D_J + if diffusion_params is None: + diffusion_params = {} + self.diff = Diffusion(msd = self.mstd) + self.diff.jump_diffusion(start_dt, **diffusion_params) @property - def flatchain(self) -> np.ndarray: + def distributions(self) -> np.array: """ - :return: sampling flatchain + :return: A distribution of samples for the linear relationship that can be used for easy + plotting of credible intervals. """ - return np.array([self.D_J.samples, self.intercept.samples]).T + return self.diff.gradient.values * self.mstd.coords['timestep'].values[:, np.newaxis] + self.diff.intercept.values diff --git a/kinisi/jump_diffusion_analyzer_old.py b/kinisi/jump_diffusion_analyzer_old.py new file mode 100644 index 0000000..4503496 --- /dev/null +++ b/kinisi/jump_diffusion_analyzer_old.py @@ -0,0 +1,248 @@ +""" +The :py:class:`kinisi.analyze.JumpDiffusionAnalyzer` class allows the study of jump diffusion +and the collective motion of particles. +""" + +# Copyright (c) Andrew R. McCluskey and Benjamin J. Morgan +# Distributed under the terms of the MIT License +# author: Andrew R. McCluskey (arm61) + +from typing import Union, List +import numpy as np +from kinisi import diffusion +from .analyzer import Analyzer + + +class JumpDiffusionAnalyzer(Analyzer): + """ + The :py:class:`kinisi.analyze.JumpDiffusionAnalyzer` class performs analysis of collective diffusion + relationships in materials. + This is achieved through the application of a bootstrapping methodology to obtain the most statistically + accurate values for total mean squared displacement uncertainty and covariance. + The time-dependence of the MSTD is then modelled in a generalised least squares fashion to obtain the jump + diffusion coefficient and offset using Markov chain Monte Carlo maximum likelihood sampling. + + :param delta_t: An array of the time interval values. + :param disp_3d: A list of arrays, where each array has the axes [atom, displacement observation, dimension]. + There is one array in the list for each delta_t value. Note: it is necessary to use a list of arrays as + the number of observations is not necessary the same at each data point. + :param volume: The volume of the simulation cell. + :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.DiffBootstrap` object. See + the appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. + """ + + def __init__(self, delta_t: np.ndarray, disp_3d: List[np.ndarray], n_o: np.ndarray, volume: float): + super().__init__(delta_t, disp_3d, n_o, volume) + self._diff = None + + def to_dict(self) -> dict: + """ + :return: Dictionary description of :py:class:`JumpDiffusionAnalyzer`. + """ + my_dict = super().to_dict() + my_dict['diff'] = self._diff.to_dict() + return my_dict + + @classmethod + def from_dict(cls, my_dict) -> 'JumpDiffusionAnalyzer': + """ + Generate a :py:class:`DiffusionAnalyzer` object from a dictionary. + + :param my_dict: The input dictionary. + + :return: New :py:class:`DiffusionAnalyzer` object. + """ + jdiff_anal = cls(my_dict['delta_t'], my_dict['disp_3d'], my_dict['n_o'], my_dict['volume']) + jdiff_anal._diff = diffusion.Bootstrap.from_dict(my_dict['diff']) + return jdiff_anal + + @classmethod + def from_pymatgen(cls, + trajectory: List[Union['pymatgen.core.structure.Structure', + List['pymatgen.core.structure.Structure']]], + parser_params: dict, + dtype: str = None, + uncertainty_params: dict = None): + """ + Create a :py:class:`JumpDiffusionAnalyzer` object from a list or nested list of + :py:class:`pymatgen.core.structure.Structure` objects. + + :param trajectory: The list or nested list of structures to be analysed. + :param parser_params: The parameters for the :py:class:`kinisi.parser.PymatgenParser` object. See the + appropriate documentation for more guidance on this dictionary. + :param dtype: If :py:attr:`trajectory` is a list of :py:class:`pymatgen.core.structure.Structure` objects, + this should be :py:attr:`None`. However, if a list of lists is passed, then it is necessary to identify if + these constitute a series of :py:attr:`consecutive` trajectories or a series of :py:attr:`identical` + starting points with different random seeds, in which case the `dtype` should be either + :py:attr:`consecutive` or :py:attr:`identical`. + :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the + appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. + + :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. + """ + if uncertainty_params is None: + uncertainty_params = {} + jdiff_anal = super()._from_pymatgen(trajectory, parser_params, dtype=dtype) + jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, + **uncertainty_params) + return jdiff_anal + + @classmethod + def from_ase(cls, + trajectory: List[Union['ase.atoms.Atoms', List['ase.atoms.Atoms']]], + parser_params: dict, + dtype: str = None, + uncertainty_params: dict = None): + """ + Create a :py:class:`JumpDiffusionAnalyzer` object from a list or nested list of + :py:class:`ase.atoms.Atoms` objects. + + :param trajectory: The list or nested list of structures to be analysed. + :param parser_params: The parameters for the :py:class:`kinisi.parser.AseParser` object. See the + appropriate documentation for more guidance on this dictionary. + :param dtype: If :py:attr:`trajectory` is a list of :py:class:`ase.atoms.Atoms` objects, + this should be :py:attr:`None`. However, if a list of lists is passed, then it is necessary to identify if + these constitute a series of :py:attr:`consecutive` trajectories or a series of :py:attr:`identical` + starting points with different random seeds, in which case the `dtype` should be either + :py:attr:`consecutive` or :py:attr:`identical`. + :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the + appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. + + :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. + """ + if uncertainty_params is None: + uncertainty_params = {} + jdiff_anal = super()._from_ase(trajectory, parser_params, dtype=dtype) + jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, + **uncertainty_params) + return jdiff_anal + + @classmethod + def from_Xdatcar(cls, + trajectory: Union['pymatgen.io.vasp.outputs.Xdatcar', List['pymatgen.io.vasp.outputs.Xdatcar']], + parser_params: dict, + dtype: str = None, + uncertainty_params: dict = None): + """ + Create a :py:class:`JumpDiffusionAnalyzer` object from a single or a list of + :py:class:`pymatgen.io.vasp.outputs.Xdatcar` objects. + + :param trajectory: The Xdatcar or list of Xdatcar objects to be analysed. + :param parser_params: The parameters for the :py:class:`kinisi.parser.PymatgenParser` object. See the + appropriate documentation for more guidance on this dictionary. + :param dtype: If :py:attr:`trajectory` is a :py:class:`pymatgen.io.vasp.outputs.Xdatcar` object, this should + be :py:attr:`None`. However, if a list of :py:class:`pymatgen.io.vasp.outputs.Xdatcar` objects is passed, + then it is necessary to identify if these constitute a series of :py:attr:`consecutive` trajectories or a + series of :py:attr:`identical` starting points with different random seeds, in which case the `dtype` + should be either :py:attr:`consecutive` or :py:attr:`identical`. + :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the + appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. + + :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. + """ + if uncertainty_params is None: + uncertainty_params = {} + jdiff_anal = super()._from_Xdatcar(trajectory, parser_params, dtype=dtype) + jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, + **uncertainty_params) + return jdiff_anal + + @classmethod + def from_file(cls, + trajectory: Union[str, List[str]], + parser_params: dict, + dtype: str = None, + uncertainty_params: dict = None): + """ + Create a :py:class:`JumpDiffusionAnalyzer` object from a single or a list of Xdatcar file(s). + + :param trajectory: The file or list of Xdatcar files to be analysed. + :param parser_params: The parameters for the :py:class:`kinisi.parser.PymatgenParser` object. See the + appropriate documentation for more guidance on this dictionary. + :param dtype: If :py:attr:`trajectory` is a single file, this should be :py:attr:`None`. However, if a + list of files is passed, then it is necessary to identify if these constitute a series of + :py:attr:`consecutive` trajectories or a series of :py:attr:`identical` starting points with different + random seeds, in which case the `dtype` should be either :py:attr:`consecutive` or :py:attr:`identical`. + :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the + appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. + + :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. + """ + if uncertainty_params is None: + uncertainty_params = {} + jdiff_anal = super()._from_file(trajectory, parser_params, dtype=dtype) + jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, + **uncertainty_params) + return jdiff_anal + + @classmethod + def from_universe(cls, + trajectory: 'MDAnalysis.core.universe.Universe', + parser_params: dict, + dtype: str = None, + uncertainty_params: dict = None): + """ + Create an :py:class:`JumpDiffusionAnalyzer` object from an :py:class:`MDAnalysis.core.universe.Universe` object. + + :param trajectory: The universe to be analysed. + :param parser_params: The parameters for the :py:class:`kinisi.parser.MDAnalysisParser` object. + See the appropriate documention for more guidance on this dictionary. + :param dtype: If :py:attr:`trajectory` is a single file, this should be :py:attr:`None`. However, if a + list of files is passed, then it is necessary to identify that these constitute a series of + :py:attr:`identical` starting points with different random seeds, in which case the `dtype` should + be :py:attr:`identical`. For a series of consecutive trajectories, please construct the relevant + object using :py:mod:`MDAnalysis`. + :param uncertainty_params: The parameters for the :py:class:`kinisi.diffusion.MSDBootstrap` object. See the + appropriate documentation for more guidance on this. Optional, default is the default bootstrap parameters. + + :return: Relevant :py:class:`JumpDiffusionAnalyzer` object. + """ + if uncertainty_params is None: + uncertainty_params = {} + jdiff_anal = super()._from_universe(trajectory, parser_params, dtype=dtype) + jdiff_anal._diff = diffusion.MSTDBootstrap(jdiff_anal._delta_t, jdiff_anal._disp_3d, jdiff_anal._n_o, + **uncertainty_params) + return jdiff_anal + + def jump_diffusion(self, start_dt: float, jump_diffusion_params: Union[dict, None] = None): + """ + Calculate the jump diffusion coefficicent using the bootstrap-GLS methodology. + + :param start_dt: The starting time for the analysis to find the diffusion coefficient. + This should be the start of the diffusive regime in the simulation. + :param ump_diffusion_params: The parameters for the :py:class:`kinisi.diffusion.MSTDBootstrap` + object. See the appropriate documentation for more guidance on this. Optional, default is the + default bootstrap parameters. + """ + if jump_diffusion_params is None: + jump_diffusion_params = {} + self._diff.jump_diffusion(start_dt, **jump_diffusion_params) + + @property + def mstd(self) -> np.ndarray: + """ + :return: MSTD for the input trajectories. Note that this is the bootstrap sampled MSD, not the numerical + average from the data. + """ + return self._diff.n + + @property + def mstd_std(self) -> np.ndarray: + """ + :return: MSD standard deviation values for the input trajectories (a single standard deviation). + """ + return self._diff.s + + @property + def D_J(self) -> 'uravu.distribution.Distribution': + """ + :return: Jump diffusion coefficient + """ + return self._diff.D_J + + @property + def flatchain(self) -> np.ndarray: + """ + :return: sampling flatchain + """ + return np.array([self.D_J.samples, self.intercept.samples]).T