P LATTICE,NONEQUIV.ATOMS 36 4 P21 MODE OF CALC=RELA unit=bohr 15.817008 14.928836 48.641551 90.000000 90.000000 90.350000 ATOM -1: X=0.87580000 Y=0.01420000 Z=0.49960000 MULT= 2 ISPLIT= 8 -1: X=0.12420000 Y=0.98580000 Z=0.99960000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.36780000 Y=0.02490000 Z=0.50250000 MULT= 2 ISPLIT= 8 -2: X=0.63220000 Y=0.97510000 Z=0.00250000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.12410000 Y=0.47470000 Z=0.90560000 MULT= 2 ISPLIT= 8 -3: X=0.87590000 Y=0.52530000 Z=0.40560000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.38190000 Y=0.51530000 Z=0.40490000 MULT= 2 ISPLIT= 8 -4: X=0.61810000 Y=0.48470000 Z=0.90490000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.87990000 Y=0.18970000 Z=0.27500000 MULT= 2 ISPLIT= 8 -5: X=0.12010000 Y=0.81030000 Z=0.77500000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.13840000 Y=0.31930000 Z=0.12770000 MULT= 2 ISPLIT= 8 -6: X=0.86160000 Y=0.68070000 Z=0.62770000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.35520000 Y=0.33330000 Z=0.74500000 MULT= 2 ISPLIT= 8 -7: X=0.64480000 Y=0.66670000 Z=0.24500000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.39940000 Y=0.21410000 Z=0.27190000 MULT= 2 ISPLIT= 8 -8: X=0.60060000 Y=0.78590000 Z=0.77190000 Pb NPT= 781 R0=.000005000 RMT= 2.50000 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.16870000 Y=0.95670000 Z=0.35740000 MULT= 2 ISPLIT= 8 -9: X=0.83130000 Y=0.04330000 Z=0.85740000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.36670000 Y=0.05520000 Z=0.86550000 MULT= 2 ISPLIT= 8 -10: X=0.63330000 Y=0.94480000 Z=0.36550000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.11130000 Y=0.44100000 Z=0.53930000 MULT= 2 ISPLIT= 8 -11: X=0.88870000 Y=0.55900000 Z=0.03930000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.44140000 Y=0.54220000 Z=0.04860000 MULT= 2 ISPLIT= 8 -12: X=0.55860000 Y=0.45780000 Z=0.54860000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.62520000 Y=0.11630000 Z=0.63740000 MULT= 2 ISPLIT= 8 -13: X=0.37480000 Y=0.88370000 Z=0.13740000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.04990000 Y=0.11630000 Z=0.64820000 MULT= 2 ISPLIT= 8 -14: X=0.95010000 Y=0.88370000 Z=0.14820000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.63910000 Y=0.29870000 Z=0.14700000 MULT= 2 ISPLIT= 8 -15: X=0.36090000 Y=0.70130000 Z=0.64700000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -16: X=0.11990000 Y=0.63560000 Z=0.26570000 MULT= 2 ISPLIT= 8 -16: X=0.88010000 Y=0.36440000 Z=0.76570000 As NPT= 781 R0=.000050000 RMT= 2.20 Z: 33.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -17: X=0.11930000 Y=0.27140000 Z=0.46900000 MULT= 2 ISPLIT= 8 -17: X=0.88070000 Y=0.72860000 Z=0.96900000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -18: X=0.13100000 Y=0.79500000 Z=0.42800000 MULT= 2 ISPLIT= 8 -18: X=0.86900000 Y=0.20500000 Z=0.92800000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -19: X=0.82200000 Y=0.11920000 Z=0.39000000 MULT= 2 ISPLIT= 8 -19: X=0.17800000 Y=0.88080000 Z=0.89000000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -20: X=0.12500000 Y=0.40530000 Z=0.31830000 MULT= 2 ISPLIT= 8 -20: X=0.87500000 Y=0.59470000 Z=0.81830000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -21: X=0.08500000 Y=0.22590000 Z=0.80420000 MULT= 2 ISPLIT= 8 -21: X=0.91500000 Y=0.77410000 Z=0.30420000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -22: X=0.40910000 Y=0.44000000 Z=0.19190000 MULT= 2 ISPLIT= 8 -22: X=0.59090000 Y=0.56000000 Z=0.69190000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -23: X=0.14650000 Y=0.55120000 Z=0.69340000 MULT= 2 ISPLIT= 8 -23: X=0.85350000 Y=0.44880000 Z=0.19340000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -24: X=0.63260000 Y=0.06160000 Z=0.20240000 MULT= 2 ISPLIT= 8 -24: X=0.36740000 Y=0.93840000 Z=0.70240000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -25: X=0.11500000 Y=0.04300000 Z=0.20020000 MULT= 2 ISPLIT= 8 -25: X=0.88500000 Y=0.95700000 Z=0.70020000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -26: X=0.89670000 Y=0.07520000 Z=0.08640000 MULT= 2 ISPLIT= 8 -26: X=0.10330000 Y=0.92480000 Z=0.58640000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -27: X=0.08750000 Y=0.39260000 Z=0.01500000 MULT= 2 ISPLIT= 8 -27: X=0.91250000 Y=0.60740000 Z=0.51500000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -28: X=0.15330000 Y=0.73850000 Z=0.10230000 MULT= 2 ISPLIT= 8 -28: X=0.84670000 Y=0.26150000 Z=0.60230000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -29: X=0.41150000 Y=0.26940000 Z=0.59730000 MULT= 2 ISPLIT= 8 -29: X=0.58850000 Y=0.73060000 Z=0.09730000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -30: X=0.60380000 Y=0.30120000 Z=0.47830000 MULT= 2 ISPLIT= 8 -30: X=0.39620000 Y=0.69880000 Z=0.97830000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -31: X=0.36840000 Y=0.23020000 Z=0.93400000 MULT= 2 ISPLIT= 8 -31: X=0.63160000 Y=0.76980000 Z=0.43400000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -32: X=0.39630000 Y=0.10610000 Z=0.38660000 MULT= 2 ISPLIT= 8 -32: X=0.60370000 Y=0.89390000 Z=0.88660000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -33: X=0.61670000 Y=0.42480000 Z=0.31780000 MULT= 2 ISPLIT= 8 -33: X=0.38330000 Y=0.57520000 Z=0.81780000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -34: X=0.31870000 Y=0.77820000 Z=0.30740000 MULT= 2 ISPLIT= 8 -34: X=0.68130000 Y=0.22180000 Z=0.80740000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -35: X=0.37550000 Y=0.10490000 Z=0.08130000 MULT= 2 ISPLIT= 8 -35: X=0.62450000 Y=0.89510000 Z=0.58130000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -36: X=0.66630000 Y=0.39200000 Z=0.01810000 MULT= 2 ISPLIT= 8 -36: X=0.33370000 Y=0.60800000 Z=0.51810000 S NPT= 781 R0=.000100000 RMT= 1.90 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000