P LATTICE,NONEQUIV.ATOMS 30 4 P21 MODE OF CALC=RELA unit=bohr 14.781438 14.652936 23.621577 90.000000 90.000000 91.050000 ATOM -1: X=0.30820000 Y=0.63510000 Z=0.49760000 MULT= 2 ISPLIT= 8 -1: X=0.69180000 Y=0.36490000 Z=0.99760000 W NPT= 781 R0=.000005000 RMT= 1.64 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.70240000 Y=0.35850000 Z=0.49290000 MULT= 2 ISPLIT= 8 -2: X=0.29760000 Y=0.64150000 Z=0.99290000 W NPT= 781 R0=.000005000 RMT= 1.64 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.19130000 Y=0.15330000 Z=0.75010000 MULT= 2 ISPLIT= 8 -3: X=0.80870000 Y=0.84670000 Z=0.25010000 W NPT= 781 R0=.000005000 RMT= 1.64 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.19260000 Y=0.15380000 Z=0.25570000 MULT= 2 ISPLIT= 8 -4: X=0.80740000 Y=0.84620000 Z=0.75570000 W NPT= 781 R0=.000005000 RMT= 1.64 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.32260000 Y=0.07370000 Z=0.50460000 MULT= 2 ISPLIT= 8 -5: X=0.67740000 Y=0.92630000 Z=0.00460000 P NPT= 781 R0=.000100000 RMT= 1.18 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.10570000 Y=0.24920000 Z=0.99160000 MULT= 2 ISPLIT= 8 -6: X=0.89430000 Y=0.75080000 Z=0.49160000 P NPT= 781 R0=.000100000 RMT= 1.18 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.38220000 Y=0.73930000 Z=0.25820000 MULT= 2 ISPLIT= 8 -7: X=0.61780000 Y=0.26070000 Z=0.75820000 P NPT= 781 R0=.000100000 RMT= 1.18 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.61800000 Y=0.24860000 Z=0.26060000 MULT= 2 ISPLIT= 8 -8: X=0.38200000 Y=0.75140000 Z=0.76060000 P NPT= 781 R0=.000100000 RMT= 1.18 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.22400000 Y=0.08400000 Z=0.59900000 MULT= 2 ISPLIT= 8 -9: X=0.77600000 Y=0.91600000 Z=0.09900000 O NPT= 781 R0=.000100000 RMT= 1.31 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=0.20400000 Y=0.18900000 Z=0.88900000 MULT= 2 ISPLIT= 8 -10: X=0.79600000 Y=0.81100000 Z=0.38900000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -11: X=0.25800000 Y=0.12900000 Z=0.40400000 MULT= 2 ISPLIT= 8 -11: X=0.74200000 Y=0.87100000 Z=0.90400000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -12: X=0.16100000 Y=0.15800000 Z=0.07900000 MULT= 2 ISPLIT= 8 -12: X=0.83900000 Y=0.84200000 Z=0.57900000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -13: X=0.19300000 Y=0.44200000 Z=0.50900000 MULT= 2 ISPLIT= 8 -13: X=0.80700000 Y=0.55800000 Z=0.00900000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -14: X=0.14800000 Y=0.43900000 Z=0.99500000 MULT= 2 ISPLIT= 8 -14: X=0.85200000 Y=0.56100000 Z=0.49500000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -15: X=0.16600000 Y=0.80300000 Z=0.01700000 MULT= 2 ISPLIT= 8 -15: X=0.83400000 Y=0.19700000 Z=0.51700000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -16: X=0.08600000 Y=0.78800000 Z=0.47600000 MULT= 2 ISPLIT= 8 -16: X=0.91400000 Y=0.21200000 Z=0.97600000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -17: X=0.51700000 Y=0.57000000 Z=0.48800000 MULT= 2 ISPLIT= 8 -17: X=0.48300000 Y=0.43000000 Z=0.98800000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -18: X=0.00900000 Y=0.00900000 Z=0.22900000 MULT= 2 ISPLIT= 8 -18: X=0.99100000 Y=0.99100000 Z=0.72900000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -19: X=0.08800000 Y=0.33100000 Z=0.73400000 MULT= 2 ISPLIT= 8 -19: X=0.91200000 Y=0.66900000 Z=0.23400000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -20: X=0.08900000 Y=0.33500000 Z=0.30000000 MULT= 2 ISPLIT= 8 -20: X=0.91100000 Y=0.66500000 Z=0.80000000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -21: X=0.42100000 Y=0.25700000 Z=0.76300000 MULT= 2 ISPLIT= 8 -21: X=0.57900000 Y=0.74300000 Z=0.26300000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -22: X=0.41600000 Y=0.27800000 Z=0.26700000 MULT= 2 ISPLIT= 8 -22: X=0.58400000 Y=0.72200000 Z=0.76700000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -23: X=0.65200000 Y=0.08200000 Z=0.73900000 MULT= 2 ISPLIT= 8 -23: X=0.34800000 Y=0.91800000 Z=0.23900000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -24: X=0.67400000 Y=0.07800000 Z=0.28700000 MULT= 2 ISPLIT= 8 -24: X=0.32600000 Y=0.92200000 Z=0.78700000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -25: X=0.59000000 Y=0.11200000 Z=0.01000000 MULT= 2 ISPLIT= 8 -25: X=0.41000000 Y=0.88800000 Z=0.51000000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -26: X=0.49700000 Y=0.20800000 Z=0.50700000 MULT= 2 ISPLIT= 8 -26: X=0.50300000 Y=0.79200000 Z=0.00700000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -27: X=0.72100000 Y=0.33600000 Z=0.16200000 MULT= 2 ISPLIT= 8 -27: X=0.27900000 Y=0.66400000 Z=0.66200000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -28: X=0.68700000 Y=0.38900000 Z=0.34200000 MULT= 2 ISPLIT= 8 -28: X=0.31300000 Y=0.61100000 Z=0.84200000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -29: X=0.30100000 Y=0.66900000 Z=0.34100000 MULT= 2 ISPLIT= 8 -29: X=0.69900000 Y=0.33100000 Z=0.84100000 O NPT= 781 R0=.000100000 RMT= 1.31 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 -30: X=0.36000000 Y=0.65700000 Z=0.15500000 MULT= 2 ISPLIT= 8 -30: X=0.64000000 Y=0.34300000 Z=0.65500000 O NPT= 781 R0=.000100000 RMT= 1.31 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000