From NWChem
group number = 203
group name = Fd-3
crystal system = Cubic
number of symmetry operators = 96
= 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 0.25
0.0 -1.0 0.0 0.25
0.0 0.0 -1.0 0.25
= operator 14 =
1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.25
0.0 0.0 -1.0 0.25
= operator 15 =
1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.25
0.0 0.0 1.0 0.25
= operator 16 =
-1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.25
0.0 0.0 1.0 0.25
= operator 17 =
0.0 0.0 -1.0 0.25
-1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.25
= operator 18 =
0.0 0.0 -1.0 0.25
1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.25
= operator 19 =
0.0 0.0 1.0 0.25
1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.25
= operator 20 =
0.0 0.0 1.0 0.25
-1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.25
= operator 21 =
0.0 -1.0 0.0 0.25
0.0 0.0 -1.0 0.25
-1.0 0.0 0.0 0.25
= operator 22 =
0.0 1.0 0.0 0.25
0.0 0.0 -1.0 0.25
1.0 0.0 0.0 0.25
= operator 23 =
0.0 -1.0 0.0 0.25
0.0 0.0 1.0 0.25
1.0 0.0 0.0 0.25
= operator 24 =
0.0 1.0 0.0 0.25
0.0 0.0 1.0 0.25
-1.0 0.0 0.0 0.25
= operator 25 =
1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.5
= operator 26 =
-1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.5
= operator 27 =
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.5
= operator 28 =
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.5
= operator 29 =
0.0 0.0 1.0 0.0
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
= operator 30 =
0.0 0.0 1.0 0.0
-1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
= operator 31 =
0.0 0.0 -1.0 0.0
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
= operator 32 =
0.0 0.0 -1.0 0.0
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
= operator 33 =
0.0 1.0 0.0 0.0
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.5
= operator 34 =
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.5
= operator 35 =
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.5
= operator 36 =
0.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 0.5
= operator 37 =
-1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.75
0.0 0.0 -1.0 0.75
= operator 38 =
1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.75
0.0 0.0 -1.0 0.75
= operator 39 =
1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.75
0.0 0.0 1.0 0.75
= operator 40 =
-1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.75
0.0 0.0 1.0 0.75
= operator 41 =
0.0 0.0 -1.0 0.25
-1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.75
= operator 42 =
0.0 0.0 -1.0 0.25
1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.75
= operator 43 =
0.0 0.0 1.0 0.25
1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.75
= operator 44 =
0.0 0.0 1.0 0.25
-1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.75
= operator 45 =
0.0 -1.0 0.0 0.25
0.0 0.0 -1.0 0.75
-1.0 0.0 0.0 0.75
= operator 46 =
0.0 1.0 0.0 0.25
0.0 0.0 -1.0 0.75
1.0 0.0 0.0 0.75
= operator 47 =
0.0 -1.0 0.0 0.25
0.0 0.0 1.0 0.75
1.0 0.0 0.0 0.75
= operator 48 =
0.0 1.0 0.0 0.25
0.0 0.0 1.0 0.75
-1.0 0.0 0.0 0.75
= operator 49 =
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 50 =
-1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 51 =
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 52 =
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.0
0.0 0.0 -1.0 0.5
= operator 53 =
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.5
= operator 54 =
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.5
= operator 55 =
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.0
0.0 1.0 0.0 0.5
= operator 56 =
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.5
= operator 57 =
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.0
1.0 0.0 0.0 0.5
= operator 58 =
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.0
-1.0 0.0 0.0 0.5
= operator 59 =
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.0
-1.0 0.0 0.0 0.5
= operator 60 =
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.0
1.0 0.0 0.0 0.5
= operator 61 =
-1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.25
0.0 0.0 -1.0 0.75
= operator 62 =
1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.25
0.0 0.0 -1.0 0.75
= operator 63 =
1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.25
0.0 0.0 1.0 0.75
= operator 64 =
-1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.25
0.0 0.0 1.0 0.75
= operator 65 =
0.0 0.0 -1.0 0.75
-1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.75
= operator 66 =
0.0 0.0 -1.0 0.75
1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.75
= operator 67 =
0.0 0.0 1.0 0.75
1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.75
= operator 68 =
0.0 0.0 1.0 0.75
-1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.75
= operator 69 =
0.0 -1.0 0.0 0.75
0.0 0.0 -1.0 0.25
-1.0 0.0 0.0 0.75
= operator 70 =
0.0 1.0 0.0 0.75
0.0 0.0 -1.0 0.25
1.0 0.0 0.0 0.75
= operator 71 =
0.0 -1.0 0.0 0.75
0.0 0.0 1.0 0.25
1.0 0.0 0.0 0.75
= operator 72 =
0.0 1.0 0.0 0.75
0.0 0.0 1.0 0.25
-1.0 0.0 0.0 0.75
= operator 73 =
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.0
= operator 74 =
-1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.0
= operator 75 =
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.0
= operator 76 =
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.0
= operator 77 =
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.0
= operator 78 =
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.0
= operator 79 =
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.0
= operator 80 =
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.0
= operator 81 =
0.0 1.0 0.0 0.5
0.0 0.0 1.0 0.5
1.0 0.0 0.0 0.0
= operator 82 =
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.5
-1.0 0.0 0.0 0.0
= operator 83 =
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.5
-1.0 0.0 0.0 0.0
= operator 84 =
0.0 -1.0 0.0 0.5
0.0 0.0 -1.0 0.5
1.0 0.0 0.0 0.0
= operator 85 =
-1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.75
0.0 0.0 -1.0 0.25
= operator 86 =
1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.75
0.0 0.0 -1.0 0.25
= operator 87 =
1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.75
0.0 0.0 1.0 0.25
= operator 88 =
-1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.75
0.0 0.0 1.0 0.25
= operator 89 =
0.0 0.0 -1.0 0.75
-1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.25
= operator 90 =
0.0 0.0 -1.0 0.75
1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.25
= operator 91 =
0.0 0.0 1.0 0.75
1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.25
= operator 92 =
0.0 0.0 1.0 0.75
-1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.25
= operator 93 =
0.0 -1.0 0.0 0.75
0.0 0.0 -1.0 0.75
-1.0 0.0 0.0 0.25
= operator 94 =
0.0 1.0 0.0 0.75
0.0 0.0 -1.0 0.75
1.0 0.0 0.0 0.25
= operator 95 =
0.0 -1.0 0.0 0.75
0.0 0.0 1.0 0.75
1.0 0.0 0.0 0.25
= operator 96 =
0.0 1.0 0.0 0.75
0.0 0.0 1.0 0.75
-1.0 0.0 0.0 0.25
