P LATTICE,NONEQUIV.ATOMS 30 7 Pb MODE OF CALC=RELA unit=bohr 20.528095 13.927282 19.711733 90.000000 90.000000110.100000 ATOM -1: X=0.10530000 Y=0.30810000 Z=0.34610000 MULT= 2 ISPLIT= 8 -1: X=0.10530000 Y=0.80810000 Z=0.65390000 Ca NPT= 781 R0=.000050000 RMT= 1.48 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.09790000 Y=0.80330000 Z=0.33490000 MULT= 2 ISPLIT= 8 -2: X=0.09790000 Y=0.30330000 Z=0.66510000 Ca NPT= 781 R0=.000050000 RMT= 1.48 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.49230000 Y=0.51250000 Z=0.37430000 MULT= 2 ISPLIT= 8 -3: X=0.49230000 Y=0.01250000 Z=0.62570000 Ca NPT= 781 R0=.000050000 RMT= 1.48 Z: 20.00000 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=0.00000000 Z=0.63210000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.50000000 Z=0.36790000 Ca NPT= 781 R0=.000050000 RMT= 1.48 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.36230000 Y=0.69050000 Z=0.13950000 MULT= 2 ISPLIT= 8 -5: X=0.36230000 Y=0.19050000 Z=0.86050000 Nb NPT= 781 R0=.000010000 RMT= 1.86 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.34280000 Y=0.18040000 Z=0.13250000 MULT= 2 ISPLIT= 8 -6: X=0.34280000 Y=0.68040000 Z=0.86750000 Ca NPT= 781 R0=.000050000 RMT= 1.48 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.75310000 Y=0.38230000 Z=0.16170000 MULT= 2 ISPLIT= 8 -7: X=0.75310000 Y=0.88230000 Z=0.83830000 Ca NPT= 781 R0=.000050000 RMT= 1.48 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.74390000 Y=0.87280000 Z=0.15420000 MULT= 2 ISPLIT= 8 -8: X=0.74390000 Y=0.37280000 Z=0.84580000 Ca NPT= 781 R0=.000050000 RMT= 1.48 Z: 20.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.04510000 Y=0.49630000 Z=0.06540000 MULT= 2 ISPLIT= 8 -9: X=0.04510000 Y=0.99630000 Z=0.93460000 Si NPT= 781 R0=.000100000 RMT= 1.07 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.05760000 Y=0.07140000 Z=0.05410000 MULT= 2 ISPLIT= 8 -10: X=0.05760000 Y=0.57140000 Z=0.94590000 Si NPT= 781 R0=.000100000 RMT= 1.07 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.29690000 Y=0.18240000 Z=0.55780000 MULT= 2 ISPLIT= 8 -11: X=0.29690000 Y=0.68240000 Z=0.44220000 Si NPT= 781 R0=.000100000 RMT= 1.07 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.28940000 Y=0.62250000 Z=0.55930000 MULT= 2 ISPLIT= 8 -12: X=0.28940000 Y=0.12250000 Z=0.44070000 Si NPT= 781 R0=.000100000 RMT= 1.07 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.18600000 Y=0.61800000 Z=0.00900000 MULT= 2 ISPLIT= 8 -13: X=0.18600000 Y=0.11800000 Z=0.99100000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.68900000 Y=0.09900000 Z=0.02600000 MULT= 2 ISPLIT= 8 -14: X=0.68900000 Y=0.59900000 Z=0.97400000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.41600000 Y=0.51600000 Z=0.00300000 MULT= 2 ISPLIT= 8 -15: X=0.41600000 Y=0.01600000 Z=0.99700000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.92400000 Y=0.90800000 Z=0.00500000 MULT= 2 ISPLIT= 8 -16: X=0.92400000 Y=0.40800000 Z=0.99500000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.02500000 Y=0.51000000 Z=0.21900000 MULT= 2 ISPLIT= 8 -17: X=0.02500000 Y=0.01000000 Z=0.78100000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.08400000 Y=0.05200000 Z=0.20100000 MULT= 2 ISPLIT= 8 -18: X=0.08400000 Y=0.55200000 Z=0.79900000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.43500000 Y=0.19300000 Z=0.50200000 MULT= 2 ISPLIT= 8 -19: X=0.43500000 Y=0.69300000 Z=0.49800000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.42500000 Y=0.75100000 Z=0.50500000 MULT= 2 ISPLIT= 8 -20: X=0.42500000 Y=0.25100000 Z=0.49500000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.17300000 Y=0.07000000 Z=0.47000000 MULT= 2 ISPLIT= 8 -21: X=0.17300000 Y=0.57000000 Z=0.53000000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.16200000 Y=0.60500000 Z=0.47500000 MULT= 2 ISPLIT= 8 -22: X=0.16200000 Y=0.10500000 Z=0.52500000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.26700000 Y=0.13000000 Z=0.70400000 MULT= 2 ISPLIT= 8 -23: X=0.26700000 Y=0.63000000 Z=0.29600000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.25800000 Y=0.63800000 Z=0.71000000 MULT= 2 ISPLIT= 8 -24: X=0.25800000 Y=0.13800000 Z=0.29000000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.30600000 Y=0.87200000 Z=0.23900000 MULT= 2 ISPLIT= 8 -25: X=0.30600000 Y=0.37200000 Z=0.76100000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.30300000 Y=0.45200000 Z=0.23700000 MULT= 2 ISPLIT= 8 -26: X=0.30300000 Y=0.95200000 Z=0.76300000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.53300000 Y=0.27700000 Z=0.24600000 MULT= 2 ISPLIT= 8 -27: X=0.53300000 Y=0.77700000 Z=0.75400000 F NPT= 781 R0=.000100000 RMT= 2.19 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -28: X=0.52500000 Y=0.76700000 Z=0.22500000 MULT= 2 ISPLIT= 8 -28: X=0.52500000 Y=0.26700000 Z=0.77500000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.01900000 Y=0.26600000 Z=0.03200000 MULT= 2 ISPLIT= 8 -29: X=0.01900000 Y=0.76600000 Z=0.96800000 O NPT= 781 R0=.000100000 RMT= 0.45 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=0.30300000 Y=0.40600000 Z=0.53300000 MULT= 2 ISPLIT= 8 -30: X=0.30300000 Y=0.90600000 Z=0.46700000 O NPT= 781 R0=.000100000 RMT= 0.45 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000