# P4 2/nmc

### From NWChem

group number = 137 group name = P4_2/nmc crystal system = Tetragonal setting number = 1 number of symmetry operators = 16 +x,+y,+z -x,-y,+z -y+1/2,+x+1/2,+z+1/2 +y+1/2,-x+1/2,+z+1/2 -x+1/2,+y+1/2,-z+1/2 +x+1/2,-y+1/2,-z+1/2 +y,+x,-z -y,-x,-z -x+1/2,-y+1/2,-z+1/2 +x+1/2,+y+1/2,-z+1/2 +y,-x,-z -y,+x,-z +x,-y,+z -x,+y,+z -y+1/2,-x+1/2,+z+1/2 +y+1/2,+x+1/2,+z+1/2 = 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 = 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 4 = 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 5 = -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 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 0.0 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 0.0 = 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 0.5 0.0 1.0 0.0 0.5 0.0 0.0 -1.0 0.5 = 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 0.0 1.0 0.0 0.0 0.0 0.0 0.0 -1.0 0.0 = operator 13 = 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 14 = -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 15 = 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 16 = 0.0 1.0 0.0 0.5 1.0 0.0 0.0 0.5 0.0 0.0 1.0 0.5

group number = 137 group name = P4_2/nmc crystal system = Tetragonal setting number = 2 number of symmetry operators = 16 +x,+y,+z -x+1/2,-y+1/2,+z -y+1/2,+x,+z+1/2 +y,-x+1/2,+z+1/2 -x,+y+1/2,-z +x+1/2,-y,-z +y+1/2,+x+1/2,-z+1/2 -y,-x,-z+1/2 -x,-y,-z +x+1/2,+y+1/2,-z +y+1/2,-x,-z+1/2 -y,+x+1/2,-z+1/2 +x,-y+1/2,+z -x+1/2,+y,+z -y+1/2,-x+1/2,+z+1/2 +y,+x,+z+1/2 = 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 0.0 = operator 3 = 0.0 -1.0 0.0 0.5 1.0 0.0 0.0 0.0 0.0 0.0 1.0 0.5 = operator 4 = 0.0 1.0 0.0 0.0 -1.0 0.0 0.0 0.5 0.0 0.0 1.0 0.5 = operator 5 = -1.0 0.0 0.0 0.0 0.0 1.0 0.0 0.5 0.0 0.0 -1.0 0.0 = operator 6 = 1.0 0.0 0.0 0.5 0.0 -1.0 0.0 0.0 0.0 0.0 -1.0 0.0 = operator 7 = 0.0 1.0 0.0 0.5 1.0 0.0 0.0 0.5 0.0 0.0 -1.0 0.5 = 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 0.0 0.0 0.0 -1.0 0.0 = operator 10 = 1.0 0.0 0.0 0.5 0.0 1.0 0.0 0.5 0.0 0.0 -1.0 0.0 = operator 11 = 0.0 1.0 0.0 0.5 -1.0 0.0 0.0 0.0 0.0 0.0 -1.0 0.5 = operator 12 = 0.0 -1.0 0.0 0.0 1.0 0.0 0.0 0.5 0.0 0.0 -1.0 0.5 = operator 13 = 1.0 0.0 0.0 0.0 0.0 -1.0 0.0 0.5 0.0 0.0 1.0 0.0 = operator 14 = -1.0 0.0 0.0 0.5 0.0 1.0 0.0 0.0 0.0 0.0 1.0 0.0 = operator 15 = 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 16 = 0.0 1.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.0 0.5