forked from materialsproject/pymatgen
-
Notifications
You must be signed in to change notification settings - Fork 0
/
XDATCAR_5
23 lines (23 loc) · 756 Bytes
/
XDATCAR_5
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
unknown system
1
-2.305000 -2.305000 0.000000
-2.305000 0.000000 -2.305000
0.000000 -2.305000 -2.305000
Li O
2 1
Direct configuration= 1
0.25000000 0.25000000 0.25000000
0.75000000 0.75000000 0.75000000
0.00000000 0.00000000 0.00000000
Direct configuration= 2
0.25000000 0.25000000 0.25000000
0.75000000 0.75000000 0.75000000
0.00000000 -0.00000000 -0.00000000
Direct configuration= 3
0.25000000 0.25000000 0.25000000
0.75000000 0.75000000 0.75000000
0.00000000 -0.00000000 -0.00000000
Direct configuration= 4
0.25000000 0.25000000 0.25000000
0.75000000 0.75000000 0.75000000
0.00000000 -0.00000000 -0.00000000