P LATTICE,NONEQUIV.ATOMS 2 213 P4132 MODE OF CALC=RELA unit=bohr 12.349360 12.349360 12.349360 90.000000 90.000000 90.000000 ATOM -1: X=0.37500000 Y=0.37500000 Z=0.37500000 MULT= 4 ISPLIT= 4 -1: X=0.87500000 Y=0.12500000 Z=0.62500000 -1: X=0.12500000 Y=0.62500000 Z=0.87500000 -1: X=0.62500000 Y=0.87500000 Z=0.12500000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -2: X=0.08800000 Y=0.08800000 Z=0.08800000 MULT= 8 ISPLIT= 4 -2: X=0.16200000 Y=0.83800000 Z=0.33800000 -2: X=0.58800000 Y=0.41200000 Z=0.91200000 -2: X=0.41200000 Y=0.91200000 Z=0.58800000 -2: X=0.83800000 Y=0.33800000 Z=0.16200000 -2: X=0.33800000 Y=0.16200000 Z=0.83800000 -2: X=0.91200000 Y=0.58800000 Z=0.41200000 -2: X=0.66200000 Y=0.66200000 Z=0.66200000 Si NPT= 781 R0=.000100000 RMT= 2.22 Z: 14.00000 LOCAL ROT MATRIX: 0.7071068 0.4082483 0.5773503 -0.7071068 0.4082483 0.5773503 0.0000000-0.8164966 0.5773503