P LATTICE,NONEQUIV.ATOMS 32 4 P21 MODE OF CALC=RELA unit=bohr 24.974621 12.492979 18.802775 90.000000 90.000000 90.380000 ATOM -1: X=0.11758000 Y=0.77757000 Z=0.12410000 MULT= 2 ISPLIT= 8 -1: X=0.88242000 Y=0.22243000 Z=0.62410000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.11914000 Y=0.25400000 Z=0.84212000 MULT= 2 ISPLIT= 8 -2: X=0.88086000 Y=0.74600000 Z=0.34212000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.36519000 Y=0.76908000 Z=0.34629000 MULT= 2 ISPLIT= 8 -3: X=0.63481000 Y=0.23092000 Z=0.84629000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.37393000 Y=0.29006000 Z=0.56880000 MULT= 2 ISPLIT= 8 -4: X=0.62607000 Y=0.70994000 Z=0.06880000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.12977000 Y=0.25616000 Z=0.35099000 MULT= 2 ISPLIT= 8 -5: X=0.87023000 Y=0.74384000 Z=0.85099000 Ge NPT= 781 R0=.000050000 RMT= 1.70 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.61767000 Y=0.24496000 Z=0.34164000 MULT= 2 ISPLIT= 8 -6: X=0.38233000 Y=0.75504000 Z=0.84164000 Ge NPT= 781 R0=.000050000 RMT= 1.70 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.16190000 Y=0.59640000 Z=0.51470000 MULT= 2 ISPLIT= 8 -7: X=0.83810000 Y=0.40360000 Z=0.01470000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.45490000 Y=0.33920000 Z=0.17730000 MULT= 2 ISPLIT= 8 -8: X=0.54510000 Y=0.66080000 Z=0.67730000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.90760000 Y=0.06980000 Z=0.01780000 MULT= 2 ISPLIT= 8 -9: X=0.09240000 Y=0.93020000 Z=0.51780000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.29120000 Y=0.19250000 Z=0.17710000 MULT= 2 ISPLIT= 8 -10: X=0.70880000 Y=0.80750000 Z=0.67710000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.32660000 Y=0.49120000 Z=0.04010000 MULT= 2 ISPLIT= 8 -11: X=0.67340000 Y=0.50880000 Z=0.54010000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.01500000 Y=0.66590000 Z=0.65930000 MULT= 2 ISPLIT= 8 -12: X=0.98500000 Y=0.33410000 Z=0.15930000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.42320000 Y=0.04370000 Z=0.03990000 MULT= 2 ISPLIT= 8 -13: X=0.57680000 Y=0.95630000 Z=0.53990000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -14: X=0.75600000 Y=0.13950000 Z=0.15150000 MULT= 2 ISPLIT= 8 -14: X=0.24400000 Y=0.86050000 Z=0.65150000 B NPT= 781 R0=.000100000 RMT= 1.16 Z: 5.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.68850000 Y=0.07260000 Z=0.24830000 MULT= 2 ISPLIT= 8 -15: X=0.31150000 Y=0.92740000 Z=0.74830000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.04740000 Y=0.40570000 Z=0.25530000 MULT= 2 ISPLIT= 8 -16: X=0.95260000 Y=0.59430000 Z=0.75530000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.54190000 Y=0.41480000 Z=0.25670000 MULT= 2 ISPLIT= 8 -17: X=0.45810000 Y=0.58520000 Z=0.75670000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.54080000 Y=0.08580000 Z=0.43820000 MULT= 2 ISPLIT= 8 -18: X=0.45920000 Y=0.91420000 Z=0.93820000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.05060000 Y=0.09610000 Z=0.44150000 MULT= 2 ISPLIT= 8 -19: X=0.94940000 Y=0.90390000 Z=0.94150000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.70550000 Y=0.38570000 Z=0.43650000 MULT= 2 ISPLIT= 8 -20: X=0.29450000 Y=0.61430000 Z=0.93650000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.21040000 Y=0.10790000 Z=0.25720000 MULT= 2 ISPLIT= 8 -21: X=0.78960000 Y=0.89210000 Z=0.75720000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.20230000 Y=0.43210000 Z=0.43970000 MULT= 2 ISPLIT= 8 -22: X=0.79770000 Y=0.56790000 Z=0.93970000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.12680000 Y=0.76370000 Z=0.43510000 MULT= 2 ISPLIT= 8 -23: X=0.87320000 Y=0.23630000 Z=0.93510000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.37600000 Y=0.26550000 Z=0.25860000 MULT= 2 ISPLIT= 8 -24: X=0.62400000 Y=0.73450000 Z=0.75860000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.41970000 Y=0.51080000 Z=0.09110000 MULT= 2 ISPLIT= 8 -25: X=0.58030000 Y=0.48920000 Z=0.59110000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.32760000 Y=0.02500000 Z=0.08590000 MULT= 2 ISPLIT= 8 -26: X=0.67240000 Y=0.97500000 Z=0.58590000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.49230000 Y=0.18210000 Z=0.08370000 MULT= 2 ISPLIT= 8 -27: X=0.50770000 Y=0.81790000 Z=0.58370000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.75450000 Y=0.33460000 Z=0.10590000 MULT= 2 ISPLIT= 8 -28: X=0.24550000 Y=0.66540000 Z=0.60590000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.18010000 Y=0.00660000 Z=0.60220000 MULT= 2 ISPLIT= 8 -29: X=0.81990000 Y=0.99340000 Z=0.10220000 O NPT= 781 R0=.000100000 RMT= 1.35 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=0.25550000 Y=0.35920000 Z=0.08750000 MULT= 2 ISPLIT= 8 -30: X=0.74450000 Y=0.64080000 Z=0.58750000 O NPT= 781 R0=.000100000 RMT= 1.35 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 -31: X=0.07750000 Y=0.52280000 Z=0.60330000 MULT= 2 ISPLIT= 8 -31: X=0.92250000 Y=0.47720000 Z=0.10330000 O NPT= 781 R0=.000100000 RMT= 1.35 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 -32: X=0.98670000 Y=0.14260000 Z=0.11460000 MULT= 2 ISPLIT= 8 -32: X=0.01330000 Y=0.85740000 Z=0.61460000 O NPT= 781 R0=.000100000 RMT= 1.35 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000