P LATTICE,NONEQUIV.ATOMS 10 19 P212121 MODE OF CALC=RELA unit=bohr 13.212965 13.861141 19.133477 90.000000 90.000000 90.000000 ATOM -1: X=0.36540000 Y=0.51080000 Z=0.12900000 MULT= 4 ISPLIT= 8 -1: X=0.13460000 Y=0.48920000 Z=0.62900000 -1: X=0.86540000 Y=0.98920000 Z=0.87100000 -1: X=0.63460000 Y=0.01080000 Z=0.37100000 Ag NPT= 781 R0=.000010000 RMT= 2.40 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.13410000 Y=0.00870000 Z=0.12990000 MULT= 4 ISPLIT= 8 -2: X=0.36590000 Y=0.99130000 Z=0.62990000 -2: X=0.63410000 Y=0.49130000 Z=0.87010000 -2: X=0.86590000 Y=0.50870000 Z=0.37010000 Ag NPT= 781 R0=.000010000 RMT= 2.40 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.13420000 Y=0.13400000 Z=0.40940000 MULT= 4 ISPLIT= 8 -3: X=0.36580000 Y=0.86600000 Z=0.90940000 -3: X=0.63420000 Y=0.36600000 Z=0.59060000 -3: X=0.86580000 Y=0.63400000 Z=0.09060000 N NPT= 781 R0=.000100000 RMT= 1.08 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.61430000 Y=0.14400000 Z=0.09340000 MULT= 4 ISPLIT= 8 -4: X=0.88570000 Y=0.85600000 Z=0.59340000 -4: X=0.11430000 Y=0.35600000 Z=0.90660000 -4: X=0.38570000 Y=0.64400000 Z=0.40660000 N NPT= 781 R0=.000100000 RMT= 1.08 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.12900000 Y=0.17620000 Z=0.52690000 MULT= 4 ISPLIT= 8 -5: X=0.37100000 Y=0.82380000 Z=0.02690000 -5: X=0.62900000 Y=0.32380000 Z=0.47310000 -5: X=0.87100000 Y=0.67620000 Z=0.97310000 O NPT= 781 R0=.000100000 RMT= 1.14 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.01260000 Y=0.20470000 Z=0.32400000 MULT= 4 ISPLIT= 8 -6: X=0.48740000 Y=0.79530000 Z=0.82400000 -6: X=0.51260000 Y=0.29530000 Z=0.67600000 -6: X=0.98740000 Y=0.70470000 Z=0.17600000 O NPT= 781 R0=.000100000 RMT= 1.14 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.23950000 Y=0.02330000 Z=0.36340000 MULT= 4 ISPLIT= 8 -7: X=0.26050000 Y=0.97670000 Z=0.86340000 -7: X=0.73950000 Y=0.47670000 Z=0.63660000 -7: X=0.76050000 Y=0.52330000 Z=0.13660000 O NPT= 781 R0=.000100000 RMT= 1.14 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.09200000 Y=0.30970000 Z=0.02530000 MULT= 4 ISPLIT= 8 -8: X=0.40800000 Y=0.69030000 Z=0.52530000 -8: X=0.59200000 Y=0.19030000 Z=0.97470000 -8: X=0.90800000 Y=0.80970000 Z=0.47470000 O NPT= 781 R0=.000100000 RMT= 1.14 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.51720000 Y=0.20880000 Z=0.17680000 MULT= 4 ISPLIT= 8 -9: X=0.98280000 Y=0.79120000 Z=0.67680000 -9: X=0.01720000 Y=0.29120000 Z=0.82320000 -9: X=0.48280000 Y=0.70880000 Z=0.32320000 O NPT= 781 R0=.000100000 RMT= 1.14 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.24980000 Y=0.52530000 Z=0.38190000 MULT= 4 ISPLIT= 8 -10: X=0.25020000 Y=0.47470000 Z=0.88190000 -10: X=0.74980000 Y=0.97470000 Z=0.61810000 -10: X=0.75020000 Y=0.02530000 Z=0.11810000 O NPT= 781 R0=.000100000 RMT= 1.14 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000