P LATTICE,NONEQUIV.ATOMS 8 215 P-43m MODE OF CALC=RELA unit=bohr 18.749863 18.749863 18.749863 90.000000 90.000000 90.000000 ATOM -1: X=0.62200000 Y=0.62200000 Z=0.62200000 MULT= 4 ISPLIT= 4 -1: X=0.62200000 Y=0.37800000 Z=0.37800000 -1: X=0.37800000 Y=0.37800000 Z=0.62200000 -1: X=0.37800000 Y=0.62200000 Z=0.37800000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -2: X=0.30800000 Y=0.30800000 Z=0.03000000 MULT=12 ISPLIT= 8 -2: X=0.30800000 Y=0.69200000 Z=0.97000000 -2: X=0.03000000 Y=0.30800000 Z=0.30800000 -2: X=0.69200000 Y=0.69200000 Z=0.03000000 -2: X=0.30800000 Y=0.97000000 Z=0.69200000 -2: X=0.69200000 Y=0.30800000 Z=0.97000000 -2: X=0.97000000 Y=0.69200000 Z=0.30800000 -2: X=0.69200000 Y=0.03000000 Z=0.69200000 -2: X=0.03000000 Y=0.69200000 Z=0.69200000 -2: X=0.69200000 Y=0.97000000 Z=0.30800000 -2: X=0.97000000 Y=0.30800000 Z=0.69200000 -2: X=0.30800000 Y=0.03000000 Z=0.30800000 In NPT= 781 R0=.000010000 RMT= 2.50000 Z: 49.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.10500000 Y=0.10500000 Z=0.10500000 MULT= 4 ISPLIT= 4 -3: X=0.10500000 Y=0.89500000 Z=0.89500000 -3: X=0.89500000 Y=0.89500000 Z=0.10500000 -3: X=0.89500000 Y=0.10500000 Z=0.89500000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -4: X=0.33800000 Y=0.33800000 Z=0.33800000 MULT= 4 ISPLIT= 4 -4: X=0.33800000 Y=0.66200000 Z=0.66200000 -4: X=0.66200000 Y=0.66200000 Z=0.33800000 -4: X=0.66200000 Y=0.33800000 Z=0.66200000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -5: X=0.81800000 Y=0.81800000 Z=0.81800000 MULT= 4 ISPLIT= 4 -5: X=0.81800000 Y=0.18200000 Z=0.18200000 -5: X=0.18200000 Y=0.18200000 Z=0.81800000 -5: X=0.18200000 Y=0.81800000 Z=0.18200000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -6: X=0.14500000 Y=0.50000000 Z=0.50000000 MULT= 6 ISPLIT= 8 -6: X=0.50000000 Y=0.85500000 Z=0.50000000 -6: X=0.50000000 Y=0.14500000 Z=0.50000000 -6: X=0.85500000 Y=0.50000000 Z=0.50000000 -6: X=0.50000000 Y=0.50000000 Z=0.85500000 -6: X=0.50000000 Y=0.50000000 Z=0.14500000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 ATOM -7: X=0.35400000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -7: X=0.00000000 Y=0.64600000 Z=0.00000000 -7: X=0.00000000 Y=0.35400000 Z=0.00000000 -7: X=0.64600000 Y=0.00000000 Z=0.00000000 -7: X=0.00000000 Y=0.00000000 Z=0.64600000 -7: X=0.00000000 Y=0.00000000 Z=0.35400000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 ATOM -8: X=0.18000000 Y=0.18000000 Z=0.53400000 MULT=12 ISPLIT= 8 -8: X=0.18000000 Y=0.82000000 Z=0.46600000 -8: X=0.53400000 Y=0.18000000 Z=0.18000000 -8: X=0.82000000 Y=0.82000000 Z=0.53400000 -8: X=0.18000000 Y=0.46600000 Z=0.82000000 -8: X=0.82000000 Y=0.18000000 Z=0.46600000 -8: X=0.46600000 Y=0.82000000 Z=0.18000000 -8: X=0.82000000 Y=0.53400000 Z=0.82000000 -8: X=0.53400000 Y=0.82000000 Z=0.82000000 -8: X=0.82000000 Y=0.46600000 Z=0.18000000 -8: X=0.46600000 Y=0.18000000 Z=0.82000000 -8: X=0.18000000 Y=0.53400000 Z=0.18000000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000