P LATTICE,NONEQUIV.ATOMS 9 116 P-4c2 MODE OF CALC=RELA unit=bohr 11.139936 11.139936 35.640235 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.00000000 Z=0.75000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.00000000 Z=0.50000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.50000000 Y=0.50000000 Z=0.12500000 MULT= 4 ISPLIT=15 -3: X=0.50000000 Y=0.50000000 Z=0.87500000 -3: X=0.50000000 Y=0.50000000 Z=0.62500000 -3: X=0.50000000 Y=0.50000000 Z=0.37500000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.50000000 Z=0.06200000 MULT= 4 ISPLIT=15 -4: X=0.50000000 Y=0.00000000 Z=0.93800000 -4: X=0.00000000 Y=0.50000000 Z=0.56200000 -4: X=0.50000000 Y=0.00000000 Z=0.43800000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.50000000 Z=0.31200000 MULT= 4 ISPLIT=15 -5: X=0.50000000 Y=0.00000000 Z=0.68800000 -5: X=0.00000000 Y=0.50000000 Z=0.81200000 -5: X=0.50000000 Y=0.00000000 Z=0.18800000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.34400000 Y=0.22800000 Z=0.54100000 MULT= 8 ISPLIT=15 -6: X=0.22800000 Y=0.65600000 Z=0.45900000 -6: X=0.65600000 Y=0.22800000 Z=0.04100000 -6: X=0.65600000 Y=0.77200000 Z=0.54100000 -6: X=0.22800000 Y=0.34400000 Z=0.95900000 -6: X=0.77200000 Y=0.34400000 Z=0.45900000 -6: X=0.34400000 Y=0.77200000 Z=0.04100000 -6: X=0.77200000 Y=0.65600000 Z=0.95900000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.19300000 Y=0.15100000 Z=0.11300000 MULT= 8 ISPLIT=15 -7: X=0.15100000 Y=0.80700000 Z=0.88700000 -7: X=0.80700000 Y=0.15100000 Z=0.61300000 -7: X=0.80700000 Y=0.84900000 Z=0.11300000 -7: X=0.15100000 Y=0.19300000 Z=0.38700000 -7: X=0.84900000 Y=0.19300000 Z=0.88700000 -7: X=0.19300000 Y=0.84900000 Z=0.61300000 -7: X=0.84900000 Y=0.80700000 Z=0.38700000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.16300000 Y=0.67900000 Z=0.18200000 MULT= 8 ISPLIT=15 -8: X=0.67900000 Y=0.83700000 Z=0.81800000 -8: X=0.83700000 Y=0.67900000 Z=0.68200000 -8: X=0.83700000 Y=0.32100000 Z=0.18200000 -8: X=0.67900000 Y=0.16300000 Z=0.31800000 -8: X=0.32100000 Y=0.16300000 Z=0.81800000 -8: X=0.16300000 Y=0.32100000 Z=0.68200000 -8: X=0.32100000 Y=0.83700000 Z=0.31800000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.33300000 Y=0.33300000 Z=0.25000000 MULT= 4 ISPLIT=15 -9: X=0.33300000 Y=0.66700000 Z=0.75000000 -9: X=0.66700000 Y=0.33300000 Z=0.75000000 -9: X=0.66700000 Y=0.66700000 Z=0.25000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000