I4 1md

From NWChem

group number                 = 109
group name                   =     I4_1md
crystal system               = Tetragonal
setting number               = 1
number of symmetry operators = 16
+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,-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+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+1/2,-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
= 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 0.0
 0.0 -1.0 0.0 0.0
 0.0 0.0 1.0 0.0
= operator 6 =
 -1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.5
 0.0 0.0 1.0 0.5
= operator 7 =
 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 8 =
 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 9 =
 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 10 =
 -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 11 =
 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 12 =
 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 13 =
 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 14 =
 -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 15 =
 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 16 =
 0.0 1.0 0.0 1.0
 1.0 0.0 0.0 0.5
 0.0 0.0 1.0 1.25