test/calcseries/not_finished/try00/CONTCAR in vasputils-0.0.12 vs test/calcseries/not_finished/try00/CONTCAR in vasputils-0.1.1
- old
+ new
@@ -1,17 +1,17 @@
Untitled (VASP)
- 1.00000000000000
- 3.6218218384059248 -0.0000000000000001 0.0000000000000000
- -1.8109109192029544 3.1365897200407926 0.0000000000000000
- 0.0000000000000000 0.0000000000000000 3.8586803850215405
- 3 1
+ 1.00000000000000
+ 3.6218218384059248 -0.0000000000000001 0.0000000000000000
+ -1.8109109192029544 3.1365897200407926 0.0000000000000000
+ 0.0000000000000000 0.0000000000000000 3.8586803850215405
+ 3 1
Selective dynamics
Direct
- 0.0000000000000000 0.0000000000000000 0.5000000000000000 T T T
- 0.3333333333333357 0.6666666666666642 0.0000000000000000 T T T
- 0.6666666666666642 0.3333333333333357 0.0000000000000000 T T T
- 0.0000000000000000 0.0000000000000000 0.0000000000000000 F F F
-
- 0.00000000E+00 0.00000000E+00 0.00000000E+00
- 0.00000000E+00 0.00000000E+00 0.00000000E+00
- 0.00000000E+00 0.00000000E+00 0.00000000E+00
- 0.00000000E+00 0.00000000E+00 0.00000000E+00
+ 0.0000000000000000 0.0000000000000000 0.5000000000000000 T T T
+ 0.3333333333333357 0.6666666666666642 0.0000000000000000 T T T
+ 0.6666666666666642 0.3333333333333357 0.0000000000000000 T T T
+ 0.0000000000000000 0.0000000000000000 0.0000000000000000 F F F
+
+ 0.00000000E+00 0.00000000E+00 0.00000000E+00
+ 0.00000000E+00 0.00000000E+00 0.00000000E+00
+ 0.00000000E+00 0.00000000E+00 0.00000000E+00
+ 0.00000000E+00 0.00000000E+00 0.00000000E+00