test/poscar/POSCAR.4-0 in vasputils-0.0.12 vs test/poscar/POSCAR.4-0 in vasputils-0.1.1
- old
+ new
@@ -1,10 +1,10 @@
sample0
1.0
- 1.0 0.0 0.0
- 0.0 1.0 0.0
- 0.0 0.0 1.0
- 1 1 1
+ 1.0 0.0 0.0
+ 0.0 1.0 0.0
+ 0.0 0.0 1.0
+ 1 1 1
Direct
- 0.0 0.0 0.0 #Li-001
- 0.5 0.0 0.0 #Ge-002
- 0.5 0.5 0.0 #O--003
+ 0.0 0.0 0.0 #Li-001
+ 0.5 0.0 0.0 #Ge-002
+ 0.5 0.5 0.0 #O--003