forked from nwchemgit/nwchem
-
Notifications
You must be signed in to change notification settings - Fork 0
Fddd
edoapra edited this page Mar 21, 2018
·
1 revision
group number = 70
group name = Fddd
crystal system = Orthorhombic
setting number = 1
number of symmetry operators = 32
+x,+y,+z
-x,-y,+z
-x,+y,-z
+x,-y,-z
-x+1/4,-y+1/4,-z+1/4
+x+1/4,+y+1/4,-z+1/4
+x+1/4,-y+1/4,+z+1/4
-x+1/4,+y+1/4,+z+1/4
+x,+y+1/2,+z+1/2
-x,-y+1/2,+z+1/2
-x,+y+1/2,-z+1/2
+x,-y+1/2,-z+1/2
-x+1/4,-y+3/4,-z+3/4
+x+1/4,+y+3/4,-z+3/4
+x+1/4,-y+3/4,+z+3/4
-x+1/4,+y+3/4,+z+3/4
+x+1/2,+y,+z+1/2
-x+1/2,-y,+z+1/2
-x+1/2,+y,-z+1/2
+x+1/2,-y,-z+1/2
-x+3/4,-y+1/4,-z+3/4
+x+3/4,+y+1/4,-z+3/4
+x+3/4,-y+1/4,+z+3/4
-x+3/4,+y+1/4,+z+3/4
+x+1/2,+y+1/2,+z
-x+1/2,-y+1/2,+z
-x+1/2,+y+1/2,-z
+x+1/2,-y+1/2,-z
-x+3/4,-y+3/4,-z+1/4
+x+3/4,+y+3/4,-z+1/4
+x+3/4,-y+3/4,+z+1/4
-x+3/4,+y+3/4,+z+1/4
= 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 0.0
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 =
-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 6 =
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 7 =
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 8 =
-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 9 =
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 10 =
-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 11 =
-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 12 =
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 13 =
-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 14 =
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 15 =
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 16 =
-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 17 =
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 18 =
-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 19 =
-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 20 =
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 21 =
-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 22 =
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 23 =
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 24 =
-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 25 =
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 26 =
-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 27 =
-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 28 =
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 29 =
-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 30 =
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 31 =
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 32 =
-1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.75
0.0 0.0 1.0 0.25
group number = 70
group name = Fddd
crystal system = Orthorhombic
setting number = 2
number of symmetry operators = 32
+x,+y,+z
-x+3/4,-y+3/4,+z
-x+3/4,+y,-z+3/4
+x,-y+3/4,-z+3/4
-x,-y,-z
+x+1/4,+y+1/4,-z
+x+1/4,-y,+z+1/4
-x,+y+1/4,+z+1/4
+x,+y+1/2,+z+1/2
-x+3/4,-y+5/4,+z+1/2
-x+3/4,+y+1/2,-z+5/4
+x,-y+5/4,-z+5/4
-x,-y+1/2,-z+1/2
+x+1/4,+y+3/4,-z+1/2
+x+1/4,-y+1/2,+z+3/4
-x,+y+3/4,+z+3/4
+x+1/2,+y,+z+1/2
-x+5/4,-y+3/4,+z+1/2
-x+5/4,+y,-z+5/4
+x+1/2,-y+3/4,-z+5/4
-x+1/2,-y,-z+1/2
+x+3/4,+y+1/4,-z+1/2
+x+3/4,-y,+z+3/4
-x+1/2,+y+1/4,+z+3/4
+x+1/2,+y+1/2,+z
-x+5/4,-y+5/4,+z
-x+5/4,+y+1/2,-z+3/4
+x+1/2,-y+5/4,-z+3/4
-x+1/2,-y+1/2,-z
+x+3/4,+y+3/4,-z
+x+3/4,-y+1/2,+z+1/4
-x+1/2,+y+3/4,+z+1/4
= 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 0.75
0.0 -1.0 0.0 0.75
0.0 0.0 1.0 0.0
= operator 3 =
-1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 0.75
= operator 4 =
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 0.75
0.0 0.0 -1.0 0.75
= operator 5 =
-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 6 =
1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.25
0.0 0.0 -1.0 0.0
= operator 7 =
1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.25
= operator 8 =
-1.0 0.0 0.0 0.0
0.0 1.0 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 0.5
0.0 0.0 1.0 0.5
= operator 10 =
-1.0 0.0 0.0 0.75
0.0 -1.0 0.0 1.25
0.0 0.0 1.0 0.5
= operator 11 =
-1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 1.25
= operator 12 =
1.0 0.0 0.0 0.0
0.0 -1.0 0.0 1.25
0.0 0.0 -1.0 1.25
= operator 13 =
-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 14 =
1.0 0.0 0.0 0.25
0.0 1.0 0.0 0.75
0.0 0.0 -1.0 0.5
= operator 15 =
1.0 0.0 0.0 0.25
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.75
= operator 16 =
-1.0 0.0 0.0 0.0
0.0 1.0 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 0.0
0.0 0.0 1.0 0.5
= operator 18 =
-1.0 0.0 0.0 1.25
0.0 -1.0 0.0 0.75
0.0 0.0 1.0 0.5
= operator 19 =
-1.0 0.0 0.0 1.25
0.0 1.0 0.0 0.0
0.0 0.0 -1.0 1.25
= operator 20 =
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 0.75
0.0 0.0 -1.0 1.25
= operator 21 =
-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 22 =
1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.25
0.0 0.0 -1.0 0.5
= operator 23 =
1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.0
0.0 0.0 1.0 0.75
= operator 24 =
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.25
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 0.0
= operator 26 =
-1.0 0.0 0.0 1.25
0.0 -1.0 0.0 1.25
0.0 0.0 1.0 0.0
= operator 27 =
-1.0 0.0 0.0 1.25
0.0 1.0 0.0 0.5
0.0 0.0 -1.0 0.75
= operator 28 =
1.0 0.0 0.0 0.5
0.0 -1.0 0.0 1.25
0.0 0.0 -1.0 0.75
= operator 29 =
-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 30 =
1.0 0.0 0.0 0.75
0.0 1.0 0.0 0.75
0.0 0.0 -1.0 0.0
= operator 31 =
1.0 0.0 0.0 0.75
0.0 -1.0 0.0 0.5
0.0 0.0 1.0 0.25
= operator 32 =
-1.0 0.0 0.0 0.5
0.0 1.0 0.0 0.75
0.0 0.0 1.0 0.25