modified on 20 March 2011 at 09:50 ••• 1,828 views

P6 122

From NWChem

Jump to: navigation, search
group number                 = 178
group name                   =     P6_122
crystal system               = Hexagonal
setting number               = 1
number of symmetry operators = 12
+x,+y,+z
-y,+x-y,+z+1/3
-x+y,-x,+z+2/3
-x,-y,+z+1/2
+y,-x+y,+z+5/6
+x-y,+x,+z+1/6
+y,+x,-z+1/3
+x-y,-y,-z
-x,-x+y,-z+2/3
-y,-x,-z+5/6
-x+y,+y,-z+1/2
+x,+x-y,-z+1/6
= 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 0.333333333333
= operator 3 =
 -1.0 1.0 0.0 0.0
 -1.0 0.0 0.0 0.0
 0.0 0.0 1.0 0.666666666667
= operator 4 =
 -1.0 0.0 0.0 0.0
 0.0 -1.0 0.0 0.0
 0.0 0.0 1.0 0.5
= operator 5 =
 0.0 1.0 0.0 0.0
 -1.0 1.0 0.0 0.0
 0.0 0.0 1.0 0.833333333333
= operator 6 =
 1.0 -1.0 0.0 0.0
 1.0 0.0 0.0 0.0
 0.0 0.0 1.0 0.166666666667
= operator 7 =
 0.0 1.0 0.0 0.0
 1.0 0.0 0.0 0.0
 0.0 0.0 -1.0 0.333333333333
= operator 8 =
 1.0 -1.0 0.0 0.0
 0.0 -1.0 0.0 0.0
 0.0 0.0 -1.0 0.0
= operator 9 =
 -1.0 0.0 0.0 0.0
 -1.0 1.0 0.0 0.0
 0.0 0.0 -1.0 0.666666666667
= operator 10 =
 0.0 -1.0 0.0 0.0
 -1.0 0.0 0.0 0.0
 0.0 0.0 -1.0 0.833333333333
= operator 11 =
 -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 12 =
 1.0 0.0 0.0 0.0
 1.0 -1.0 0.0 0.0
 0.0 0.0 -1.0 0.166666666667