F LATTICE,NONEQUIV.ATOMS 16 216 F-43m MODE OF CALC=RELA unit=bohr 35.238857 35.238857 35.238857 90.000000 90.000000 90.000000 ATOM -1: X=0.80280000 Y=0.80280000 Z=0.80280000 MULT= 4 ISPLIT= 4 -1: X=0.80280000 Y=0.19720000 Z=0.19720000 -1: X=0.19720000 Y=0.19720000 Z=0.80280000 -1: X=0.19720000 Y=0.80280000 Z=0.19720000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -2: X=0.91860000 Y=0.91860000 Z=0.91860000 MULT= 4 ISPLIT= 4 -2: X=0.91860000 Y=0.08140000 Z=0.08140000 -2: X=0.08140000 Y=0.08140000 Z=0.91860000 -2: X=0.08140000 Y=0.91860000 Z=0.08140000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -3: X=0.05710000 Y=0.05710000 Z=0.05710000 MULT= 4 ISPLIT= 4 -3: X=0.05710000 Y=0.94290000 Z=0.94290000 -3: X=0.94290000 Y=0.94290000 Z=0.05710000 -3: X=0.94290000 Y=0.05710000 Z=0.94290000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -4: X=0.18580000 Y=0.18580000 Z=0.18580000 MULT= 4 ISPLIT= 4 -4: X=0.18580000 Y=0.81420000 Z=0.81420000 -4: X=0.81420000 Y=0.81420000 Z=0.18580000 -4: X=0.81420000 Y=0.18580000 Z=0.81420000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -5: X=0.32930000 Y=0.32930000 Z=0.32930000 MULT= 4 ISPLIT= 4 -5: X=0.32930000 Y=0.67070000 Z=0.67070000 -5: X=0.67070000 Y=0.67070000 Z=0.32930000 -5: X=0.67070000 Y=0.32930000 Z=0.67070000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -6: X=0.55640000 Y=0.55640000 Z=0.55640000 MULT= 4 ISPLIT= 4 -6: X=0.55640000 Y=0.44360000 Z=0.44360000 -6: X=0.44360000 Y=0.44360000 Z=0.55640000 -6: X=0.44360000 Y=0.55640000 Z=0.44360000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -7: X=0.57490000 Y=0.25000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -7: X=0.25000000 Y=0.42510000 Z=0.75000000 -7: X=0.25000000 Y=0.57490000 Z=0.25000000 -7: X=0.42510000 Y=0.75000000 Z=0.25000000 -7: X=0.75000000 Y=0.25000000 Z=0.42510000 -7: X=0.25000000 Y=0.25000000 Z=0.57490000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 ATOM -8: X=0.32680000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -8: X=0.00000000 Y=0.67320000 Z=0.00000000 -8: X=0.00000000 Y=0.32680000 Z=0.00000000 -8: X=0.67320000 Y=0.00000000 Z=0.00000000 -8: X=0.00000000 Y=0.00000000 Z=0.67320000 -8: X=0.00000000 Y=0.00000000 Z=0.32680000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 ATOM -9: X=0.09120000 Y=0.09120000 Z=0.76350000 MULT=12 ISPLIT= 8 -9: X=0.09120000 Y=0.90880000 Z=0.23650000 -9: X=0.76350000 Y=0.09120000 Z=0.09120000 -9: X=0.90880000 Y=0.90880000 Z=0.76350000 -9: X=0.09120000 Y=0.23650000 Z=0.90880000 -9: X=0.90880000 Y=0.09120000 Z=0.23650000 -9: X=0.23650000 Y=0.90880000 Z=0.09120000 -9: X=0.90880000 Y=0.76350000 Z=0.90880000 -9: X=0.76350000 Y=0.90880000 Z=0.90880000 -9: X=0.90880000 Y=0.23650000 Z=0.09120000 -9: X=0.23650000 Y=0.09120000 Z=0.90880000 -9: X=0.09120000 Y=0.76350000 Z=0.09120000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -10: X=0.09040000 Y=0.09040000 Z=0.26130000 MULT=12 ISPLIT= 8 -10: X=0.09040000 Y=0.90960000 Z=0.73870000 -10: X=0.26130000 Y=0.09040000 Z=0.09040000 -10: X=0.90960000 Y=0.90960000 Z=0.26130000 -10: X=0.09040000 Y=0.73870000 Z=0.90960000 -10: X=0.90960000 Y=0.09040000 Z=0.73870000 -10: X=0.73870000 Y=0.90960000 Z=0.09040000 -10: X=0.90960000 Y=0.26130000 Z=0.90960000 -10: X=0.26130000 Y=0.90960000 Z=0.90960000 -10: X=0.90960000 Y=0.73870000 Z=0.09040000 -10: X=0.73870000 Y=0.09040000 Z=0.90960000 -10: X=0.09040000 Y=0.26130000 Z=0.09040000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -11: X=0.15460000 Y=0.15460000 Z=0.02030000 MULT=12 ISPLIT= 8 -11: X=0.15460000 Y=0.84540000 Z=0.97970000 -11: X=0.02030000 Y=0.15460000 Z=0.15460000 -11: X=0.84540000 Y=0.84540000 Z=0.02030000 -11: X=0.15460000 Y=0.97970000 Z=0.84540000 -11: X=0.84540000 Y=0.15460000 Z=0.97970000 -11: X=0.97970000 Y=0.84540000 Z=0.15460000 -11: X=0.84540000 Y=0.02030000 Z=0.84540000 -11: X=0.02030000 Y=0.84540000 Z=0.84540000 -11: X=0.84540000 Y=0.97970000 Z=0.15460000 -11: X=0.97970000 Y=0.15460000 Z=0.84540000 -11: X=0.15460000 Y=0.02030000 Z=0.15460000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -12: X=0.16080000 Y=0.16080000 Z=0.50770000 MULT=12 ISPLIT= 8 -12: X=0.16080000 Y=0.83920000 Z=0.49230000 -12: X=0.50770000 Y=0.16080000 Z=0.16080000 -12: X=0.83920000 Y=0.83920000 Z=0.50770000 -12: X=0.16080000 Y=0.49230000 Z=0.83920000 -12: X=0.83920000 Y=0.16080000 Z=0.49230000 -12: X=0.49230000 Y=0.83920000 Z=0.16080000 -12: X=0.83920000 Y=0.50770000 Z=0.83920000 -12: X=0.50770000 Y=0.83920000 Z=0.83920000 -12: X=0.83920000 Y=0.49230000 Z=0.16080000 -12: X=0.49230000 Y=0.16080000 Z=0.83920000 -12: X=0.16080000 Y=0.50770000 Z=0.16080000 Li NPT= 781 R0=.000100000 RMT= 2.32 Z: 3.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -13: X=0.66010000 Y=0.66010000 Z=0.66010000 MULT= 4 ISPLIT= 4 -13: X=0.66010000 Y=0.33990000 Z=0.33990000 -13: X=0.33990000 Y=0.33990000 Z=0.66010000 -13: X=0.33990000 Y=0.66010000 Z=0.33990000 Si NPT= 781 R0=.000100000 RMT= 2.50000 Z: 14.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -14: X=0.41480000 Y=0.41480000 Z=0.41480000 MULT= 4 ISPLIT= 4 -14: X=0.41480000 Y=0.58520000 Z=0.58520000 -14: X=0.58520000 Y=0.58520000 Z=0.41480000 -14: X=0.58520000 Y=0.41480000 Z=0.58520000 Si NPT= 781 R0=.000100000 RMT= 2.50000 Z: 14.00000 LOCAL ROT MATRIX: 0.4082483-0.7071068 0.5773503 0.4082483 0.7071068 0.5773503 -0.8164966 0.0000000 0.5773503 ATOM -15: X=0.07000000 Y=0.25000000 Z=0.25000000 MULT= 6 ISPLIT= 8 -15: X=0.25000000 Y=0.93000000 Z=0.75000000 -15: X=0.25000000 Y=0.07000000 Z=0.25000000 -15: X=0.93000000 Y=0.75000000 Z=0.25000000 -15: X=0.75000000 Y=0.25000000 Z=0.93000000 -15: X=0.25000000 Y=0.25000000 Z=0.07000000 Si NPT= 781 R0=.000100000 RMT= 2.50000 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000 ATOM -16: X=0.17820000 Y=0.00000000 Z=0.00000000 MULT= 6 ISPLIT= 8 -16: X=0.00000000 Y=0.82180000 Z=0.00000000 -16: X=0.00000000 Y=0.17820000 Z=0.00000000 -16: X=0.82180000 Y=0.00000000 Z=0.00000000 -16: X=0.00000000 Y=0.00000000 Z=0.82180000 -16: X=0.00000000 Y=0.00000000 Z=0.17820000 Si NPT= 781 R0=.000100000 RMT= 2.50000 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 0.7071068 0.7071068 0.0000000 -0.7071068 0.7071068 0.0000000