modified on 17 March 2011 at 17:35 ••• 1,987 views

Pbam

From NWChem

Jump to: navigation, search
group number                 = 55
group name                   =       Pbam
crystal system               = Orthorhombic
setting number               = 1
number of symmetry operators = 8
+x,+y,+z
-x,-y,+z
-x+1/2,+y+1/2,-z
+x+1/2,-y+1/2,-z
-x,-y,-z
+x,+y,-z
+x+1/2,-y+1/2,+z
-x+1/2,+y+1/2,+z
= 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 0.5
 0.0 1.0 0.0 0.5
 0.0 0.0 -1.0 0.0
= operator 4 =
 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 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 0.0
 0.0 1.0 0.0 0.0
 0.0 0.0 -1.0 0.0
= operator 7 =
 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 8 =
 -1.0 0.0 0.0 0.5
 0.0 1.0 0.0 0.5
 0.0 0.0 1.0 0.0