### From NWChem

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)

group number = 159
group name = P31c
crystal system = Trigonal
setting number = 1
number of symmetry operators = 6
+x,+y,+z
-y,+x-y,+z
-x+y,-x,+z
+y,+x,+z+1/2
+x-y,-y,+z+1/2
-x,-x+y,+z+1/2
= 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 =
0.0 -1.0 0.0 0.0
1.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 3 =
-1.0 1.0 0.0 0.0
-1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.0
= operator 4 =
0.0 1.0 0.0 0.0
1.0 0.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 5 =
1.0 -1.0 0.0 0.0
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.5
= operator 6 =
-1.0 0.0 0.0 0.0
-1.0 1.0 0.0 0.0
0.0 0.0 1.0 0.5