-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathChrysotile.vasp
26 lines (26 loc) · 1.25 KB
/
Chrysotile.vasp
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
Crystal
1.0
5.3621001244 0.0000000000 0.0000000000
-2.6810500622 4.6437149253 0.0000000000
0.0000000000 -0.0000589933 7.3783998487
Si O Ni H
2 9 3 4
Direct
0.333333343 0.666666687 0.894460022
0.666666687 0.333333343 0.894460022
0.333333343 0.666666687 0.112089999
0.666666687 0.333333343 0.112089999
0.000000000 0.659349978 0.401080012
0.340650022 0.340650022 0.401080012
0.659349978 0.000000000 0.401080012
0.514479995 0.000000000 0.812770009
0.000000000 0.514479995 0.812770009
0.485520005 0.485520005 0.812770009
0.000000000 0.000000000 0.131080002
0.000000000 0.329829991 0.271939993
0.670170009 0.670170009 0.271939993
0.329829991 0.000000000 0.271939993
0.000000000 0.648880005 0.534210026
0.351119995 0.351119995 0.534210026
0.648880005 0.000000000 0.534210026
0.000000000 0.000000000 0.998449981