From NWChem
group number = 201
group name = Pn-3
crystal system = Cubic
number of symmetry operators = 24
= operator 1 =
1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 2 =
-1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 3 =
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.0
= operator 4 =
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.0
= operator 5 =
0.0 0.0 1.0 0.0
1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
= operator 6 =
0.0 0.0 1.0 0.0
-1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.0
= operator 7 =
0.0 0.0 -1.0 0.0
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0
= operator 8 =
0.0 0.0 -1.0 0.0
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.0
= operator 9 =
0.0 1.0 0.0 0.0
0.0 0.0 1.0 0.0
1.0 0.0 0.0 0.0
= operator 10 =
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.0
-1.0 0.0 0.0 0.0
= operator 11 =
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.0
-1.0 0.0 0.0 0.0
= operator 12 =
0.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.0
1.0 0.0 0.0 0.0
= operator 13 =
-1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.5
= operator 14 =
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.5
= operator 15 =
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.5
= operator 16 =
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.5
= operator 17 =
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
= operator 18 =
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
= operator 19 =
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
= operator 20 =
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
= operator 21 =
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.5
= operator 22 =
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 0.5
= operator 23 =
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.5
= operator 24 =
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.5
