-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathSPOSCAR
48 lines (48 loc) · 2.64 KB
/
SPOSCAR
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
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
generated by phonopy
1.0
7.9693308947820114 0.0000000000000000 0.0000000000000000
0.0000000000000000 7.9693308947820114 0.0000000000000000
0.0000000000000000 0.0000000000000000 7.9693308947820114
K Nb O
8 8 24
Direct
0.0000000000000000 0.0000000000000000 0.0000000000000000
0.5000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 0.5000000000000000 0.0000000000000000
0.5000000000000000 0.5000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 0.5000000000000000
0.5000000000000000 0.0000000000000000 0.5000000000000000
0.0000000000000000 0.5000000000000000 0.5000000000000000
0.5000000000000000 0.5000000000000000 0.5000000000000000
0.2500000000000000 0.2500000000000000 0.2500000000000000
0.7500000000000000 0.2500000000000000 0.2500000000000000
0.2500000000000000 0.7500000000000000 0.2500000000000000
0.7500000000000000 0.7500000000000000 0.2500000000000000
0.2500000000000000 0.2500000000000000 0.7500000000000000
0.7500000000000000 0.2500000000000000 0.7500000000000000
0.2500000000000000 0.7500000000000000 0.7500000000000000
0.7500000000000000 0.7500000000000000 0.7500000000000000
0.2500000000000000 0.2500000000000000 0.0000000000000000
0.7500000000000000 0.2500000000000000 0.0000000000000000
0.2500000000000000 0.7500000000000000 0.0000000000000000
0.7500000000000000 0.7500000000000000 0.0000000000000000
0.2500000000000000 0.2500000000000000 0.5000000000000000
0.7500000000000000 0.2500000000000000 0.5000000000000000
0.2500000000000000 0.7500000000000000 0.5000000000000000
0.7500000000000000 0.7500000000000000 0.5000000000000000
0.0000000000000000 0.2500000000000000 0.2500000000000000
0.5000000000000000 0.2500000000000000 0.2500000000000000
0.0000000000000000 0.7500000000000000 0.2500000000000000
0.5000000000000000 0.7500000000000000 0.2500000000000000
0.0000000000000000 0.2500000000000000 0.7500000000000000
0.5000000000000000 0.2500000000000000 0.7500000000000000
0.0000000000000000 0.7500000000000000 0.7500000000000000
0.5000000000000000 0.7500000000000000 0.7500000000000000
0.2500000000000000 0.0000000000000000 0.2500000000000000
0.7500000000000000 0.0000000000000000 0.2500000000000000
0.2500000000000000 0.5000000000000000 0.2500000000000000
0.7500000000000000 0.5000000000000000 0.2500000000000000
0.2500000000000000 0.0000000000000000 0.7500000000000000
0.7500000000000000 0.0000000000000000 0.7500000000000000
0.2500000000000000 0.5000000000000000 0.7500000000000000
0.7500000000000000 0.5000000000000000 0.7500000000000000