modified on 17 March 2011 at 17:47 ••• 1,906 views

I4 1/acd

From NWChem

Jump to: navigation, search
group number                 = 142
group name                   =   I4_1/acd
crystal system               = Tetragonal
setting number               = 1
number of symmetry operators = 32
+x,+y,+z
-x+1/2,-y+1/2,+z+1/2
-y,+x+1/2,+z+1/4
+y+1/2,-x,+z+3/4
-x+1/2,+y,-z+1/4
+x,-y+1/2,-z+3/4
+y+1/2,+x+1/2,-z
-y,-x,-z+1/2
-x,-y+1/2,-z+1/4
+x+1/2,+y,-z+3/4
+y,-x,-z
-y+1/2,+x+1/2,-z+1/2
+x+1/2,-y+1/2,+z
-x,+y,+z+1/2
-y+1/2,-x,+z+1/4
+y,+x+1/2,+z+3/4
+x+1/2,+y+1/2,+z+1/2
-x+1,-y+1,+z+1
-y+1/2,+x+1,+z+3/4
+y+1,-x+1/2,+z+5/4
-x+1,+y+1/2,-z+3/4
+x+1/2,-y+1,-z+5/4
+y+1,+x+1,-z+1/2
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1,-z+3/4
+x+1,+y+1/2,-z+5/4
+y+1/2,-x+1/2,-z+1/2
-y+1,+x+1,-z+1
+x+1,-y+1,+z+1/2
-x+1/2,+y+1/2,+z+1
-y+1,-x+1/2,+z+3/4
+y+1/2,+x+1,+z+5/4
= 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 0.5
 0.0 -1.0 0.0 0.5
 0.0 0.0 1.0 0.5
= operator 3 =
 0.0 -1.0 0.0 0.0
 1.0 0.0 0.0 0.5
 0.0 0.0 1.0 0.25
= operator 4 =
 0.0 1.0 0.0 0.5
 -1.0 0.0 0.0 0.0
 0.0 0.0 1.0 0.75
= operator 5 =
 -1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.0
 0.0 0.0 -1.0 0.25
= operator 6 =
 1.0 0.0 0.0 0.0
 0.0 -1.0 0.0 0.5
 0.0 0.0 -1.0 0.75
= operator 7 =
 0.0 1.0 0.0 0.5
 1.0 0.0 0.0 0.5
 0.0 0.0 -1.0 0.0
= operator 8 =
 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 9 =
 -1.0 0.0 0.0 0.0
 0.0 -1.0 0.0 0.5
 0.0 0.0 -1.0 0.25
= operator 10 =
 1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.0
 0.0 0.0 -1.0 0.75
= operator 11 =
 0.0 1.0 0.0 0.0
 -1.0 0.0 0.0 0.0
 0.0 0.0 -1.0 0.0
= operator 12 =
 0.0 -1.0 0.0 0.5
 1.0 0.0 0.0 0.5
 0.0 0.0 -1.0 0.5
= operator 13 =
 1.0 0.0 0.0 0.5
 0.0 -1.0 0.0 0.5
 0.0 0.0 1.0 0.0
= operator 14 =
 -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 15 =
 0.0 -1.0 0.0 0.5
 -1.0 0.0 0.0 0.0
 0.0 0.0 1.0 0.25
= operator 16 =
 0.0 1.0 0.0 0.0
 1.0 0.0 0.0 0.5
 0.0 0.0 1.0 0.75
= operator 17 =
 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 18 =
 -1.0 0.0 0.0 1.0
 0.0 -1.0 0.0 1.0
 0.0 0.0 1.0 1.0
= operator 19 =
 0.0 -1.0 0.0 0.5
 1.0 0.0 0.0 1.0
 0.0 0.0 1.0 0.75
= operator 20 =
 0.0 1.0 0.0 1.0
 -1.0 0.0 0.0 0.5
 0.0 0.0 1.0 1.25
= operator 21 =
 -1.0 0.0 0.0 1.0
 0.0 1.0 0.0 0.5
 0.0 0.0 -1.0 0.75
= operator 22 =
 1.0 0.0 0.0 0.5
 0.0 -1.0 0.0 1.0
 0.0 0.0 -1.0 1.25
= operator 23 =
 0.0 1.0 0.0 1.0
 1.0 0.0 0.0 1.0
 0.0 0.0 -1.0 0.5
= operator 24 =
 0.0 -1.0 0.0 0.5
 -1.0 0.0 0.0 0.5
 0.0 0.0 -1.0 1.0
= operator 25 =
 -1.0 0.0 0.0 0.5
 0.0 -1.0 0.0 1.0
 0.0 0.0 -1.0 0.75
= operator 26 =
 1.0 0.0 0.0 1.0
 0.0 1.0 0.0 0.5
 0.0 0.0 -1.0 1.25
= operator 27 =
 0.0 1.0 0.0 0.5
 -1.0 0.0 0.0 0.5
 0.0 0.0 -1.0 0.5
= operator 28 =
 0.0 -1.0 0.0 1.0
 1.0 0.0 0.0 1.0
 0.0 0.0 -1.0 1.0
= operator 29 =
 1.0 0.0 0.0 1.0
 0.0 -1.0 0.0 1.0
 0.0 0.0 1.0 0.5
= operator 30 =
 -1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.5
 0.0 0.0 1.0 1.0
= operator 31 =
 0.0 -1.0 0.0 1.0
 -1.0 0.0 0.0 0.5
 0.0 0.0 1.0 0.75
= operator 32 =
 0.0 1.0 0.0 0.5
 1.0 0.0 0.0 1.0
 0.0 0.0 1.0 1.25
group number                 = 142
group name                   =   I4_1/acd
crystal system               = Tetragonal
setting number               = 2
number of symmetry operators = 32
+x,+y,+z
-x+1/2,-y,+z+1/2
-y+1/4,+x+3/4,+z+1/4
+y+1/4,-x+1/4,+z+3/4
-x+1/2,+y,-z
+x,-y,-z+1/2
+y+1/4,+x+3/4,-z+3/4
-y+1/4,-x+1/4,-z+1/4
-x,-y,-z
+x+1/2,+y,-z+1/2
+y+3/4,-x+1/4,-z+3/4
-y+3/4,+x+3/4,-z+1/4
+x+1/2,-y,+z
-x,+y,+z+1/2
-y+3/4,-x+1/4,+z+1/4
+y+3/4,+x+3/4,+z+3/4
+x+1/2,+y+1/2,+z+1/2
-x+1,-y+1/2,+z+1
-y+3/4,+x+5/4,+z+3/4
+y+3/4,-x+3/4,+z+5/4
-x+1,+y+1/2,-z+1/2
+x+1/2,-y+1/2,-z+1
+y+3/4,+x+5/4,-z+5/4
-y+3/4,-x+3/4,-z+3/4
-x+1/2,-y+1/2,-z+1/2
+x+1,+y+1/2,-z+1
+y+5/4,-x+3/4,-z+5/4
-y+5/4,+x+5/4,-z+3/4
+x+1,-y+1/2,+z+1/2
-x+1/2,+y+1/2,+z+1
-y+5/4,-x+3/4,+z+3/4
+y+5/4,+x+5/4,+z+5/4
= 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 0.5
 0.0 -1.0 0.0 0.0
 0.0 0.0 1.0 0.5
= operator 3 =
 0.0 -1.0 0.0 0.25
 1.0 0.0 0.0 0.75
 0.0 0.0 1.0 0.25
= operator 4 =
 0.0 1.0 0.0 0.25
 -1.0 0.0 0.0 0.25
 0.0 0.0 1.0 0.75
= operator 5 =
 -1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.0
 0.0 0.0 -1.0 0.0
= operator 6 =
 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 7 =
 0.0 1.0 0.0 0.25
 1.0 0.0 0.0 0.75
 0.0 0.0 -1.0 0.75
= operator 8 =
 0.0 -1.0 0.0 0.25
 -1.0 0.0 0.0 0.25
 0.0 0.0 -1.0 0.25
= operator 9 =
 -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 10 =
 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 11 =
 0.0 1.0 0.0 0.75
 -1.0 0.0 0.0 0.25
 0.0 0.0 -1.0 0.75
= operator 12 =
 0.0 -1.0 0.0 0.75
 1.0 0.0 0.0 0.75
 0.0 0.0 -1.0 0.25
= operator 13 =
 1.0 0.0 0.0 0.5
 0.0 -1.0 0.0 0.0
 0.0 0.0 1.0 0.0
= operator 14 =
 -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 15 =
 0.0 -1.0 0.0 0.75
 -1.0 0.0 0.0 0.25
 0.0 0.0 1.0 0.25
= operator 16 =
 0.0 1.0 0.0 0.75
 1.0 0.0 0.0 0.75
 0.0 0.0 1.0 0.75
= operator 17 =
 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 18 =
 -1.0 0.0 0.0 1.0
 0.0 -1.0 0.0 0.5
 0.0 0.0 1.0 1.0
= operator 19 =
 0.0 -1.0 0.0 0.75
 1.0 0.0 0.0 1.25
 0.0 0.0 1.0 0.75
= operator 20 =
 0.0 1.0 0.0 0.75
 -1.0 0.0 0.0 0.75
 0.0 0.0 1.0 1.25
= operator 21 =
 -1.0 0.0 0.0 1.0
 0.0 1.0 0.0 0.5
 0.0 0.0 -1.0 0.5
= operator 22 =
 1.0 0.0 0.0 0.5
 0.0 -1.0 0.0 0.5
 0.0 0.0 -1.0 1.0
= operator 23 =
 0.0 1.0 0.0 0.75
 1.0 0.0 0.0 1.25
 0.0 0.0 -1.0 1.25
= operator 24 =
 0.0 -1.0 0.0 0.75
 -1.0 0.0 0.0 0.75
 0.0 0.0 -1.0 0.75
= operator 25 =
 -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 26 =
 1.0 0.0 0.0 1.0
 0.0 1.0 0.0 0.5
 0.0 0.0 -1.0 1.0
= operator 27 =
 0.0 1.0 0.0 1.25
 -1.0 0.0 0.0 0.75
 0.0 0.0 -1.0 1.25
= operator 28 =
 0.0 -1.0 0.0 1.25
 1.0 0.0 0.0 1.25
 0.0 0.0 -1.0 0.75
= operator 29 =
 1.0 0.0 0.0 1.0
 0.0 -1.0 0.0 0.5
 0.0 0.0 1.0 0.5
= operator 30 =
 -1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.5
 0.0 0.0 1.0 1.0
= operator 31 =
 0.0 -1.0 0.0 1.25
 -1.0 0.0 0.0 0.75
 0.0 0.0 1.0 0.75
= operator 32 =
 0.0 1.0 0.0 1.25
 1.0 0.0 0.0 1.25
 0.0 0.0 1.0 1.25