P LATTICE,NONEQUIV.ATOMS 10 136 P42/mnm MODE OF CALC=RELA unit=bohr 27.544648 27.544648 16.962182 90.000000 90.000000 90.000000 ATOM -1: X=0.04240000 Y=0.17510000 Z=0.00000000 MULT= 8 ISPLIT= 8 -1: X=0.95760000 Y=0.82490000 Z=0.00000000 -1: X=0.32490000 Y=0.54240000 Z=0.50000000 -1: X=0.67510000 Y=0.45760000 Z=0.50000000 -1: X=0.45760000 Y=0.67510000 Z=0.50000000 -1: X=0.54240000 Y=0.32490000 Z=0.50000000 -1: X=0.82490000 Y=0.95760000 Z=0.00000000 -1: X=0.17510000 Y=0.04240000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.39040000 Y=0.39040000 Z=0.34970000 MULT= 8 ISPLIT= 8 -2: X=0.60960000 Y=0.60960000 Z=0.65030000 -2: X=0.10960000 Y=0.89040000 Z=0.84970000 -2: X=0.89040000 Y=0.10960000 Z=0.15030000 -2: X=0.60960000 Y=0.60960000 Z=0.34970000 -2: X=0.39040000 Y=0.39040000 Z=0.65030000 -2: X=0.89040000 Y=0.10960000 Z=0.84970000 -2: X=0.10960000 Y=0.89040000 Z=0.15030000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -3: X=0.06550000 Y=0.06550000 Z=0.24020000 MULT= 8 ISPLIT= 8 -3: X=0.93450000 Y=0.93450000 Z=0.75980000 -3: X=0.43450000 Y=0.56550000 Z=0.74020000 -3: X=0.56550000 Y=0.43450000 Z=0.25980000 -3: X=0.93450000 Y=0.93450000 Z=0.24020000 -3: X=0.06550000 Y=0.06550000 Z=0.75980000 -3: X=0.56550000 Y=0.43450000 Z=0.74020000 -3: X=0.43450000 Y=0.56550000 Z=0.25980000 Ga NPT= 781 R0=.000050000 RMT= 2.50000 Z: 31.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -4: X=0.00000000 Y=0.50000000 Z=0.25000000 MULT= 4 ISPLIT=-2 -4: X=0.00000000 Y=0.50000000 Z=0.75000000 -4: X=0.50000000 Y=0.00000000 Z=0.75000000 -4: X=0.50000000 Y=0.00000000 Z=0.25000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.40970000 Y=0.40970000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.59030000 Y=0.59030000 Z=0.00000000 -5: X=0.09030000 Y=0.90970000 Z=0.50000000 -5: X=0.90970000 Y=0.09030000 Z=0.50000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068 0.7071068 0.0000000 0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -6: X=0.13370000 Y=0.68510000 Z=0.00000000 MULT= 8 ISPLIT= 8 -6: X=0.86630000 Y=0.31490000 Z=0.00000000 -6: X=0.81490000 Y=0.63370000 Z=0.50000000 -6: X=0.18510000 Y=0.36630000 Z=0.50000000 -6: X=0.36630000 Y=0.18510000 Z=0.50000000 -6: X=0.63370000 Y=0.81490000 Z=0.50000000 -6: X=0.31490000 Y=0.86630000 Z=0.00000000 -6: X=0.68510000 Y=0.13370000 Z=0.00000000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.23580000 Y=0.23580000 Z=0.18420000 MULT= 8 ISPLIT= 8 -7: X=0.76420000 Y=0.76420000 Z=0.81580000 -7: X=0.26420000 Y=0.73580000 Z=0.68420000 -7: X=0.73580000 Y=0.26420000 Z=0.31580000 -7: X=0.76420000 Y=0.76420000 Z=0.18420000 -7: X=0.23580000 Y=0.23580000 Z=0.81580000 -7: X=0.73580000 Y=0.26420000 Z=0.68420000 -7: X=0.26420000 Y=0.73580000 Z=0.31580000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 0.0000000-0.7071068-0.7071068 0.0000000-0.7071068 0.7071068 -1.0000000 0.0000000 0.0000000 ATOM -8: X=0.22320000 Y=0.49300000 Z=0.19300000 MULT=16 ISPLIT= 8 -8: X=0.77680000 Y=0.50700000 Z=0.80700000 -8: X=0.00700000 Y=0.72320000 Z=0.69300000 -8: X=0.99300000 Y=0.27680000 Z=0.30700000 -8: X=0.27680000 Y=0.99300000 Z=0.69300000 -8: X=0.72320000 Y=0.00700000 Z=0.30700000 -8: X=0.77680000 Y=0.50700000 Z=0.19300000 -8: X=0.22320000 Y=0.49300000 Z=0.80700000 -8: X=0.50700000 Y=0.77680000 Z=0.19300000 -8: X=0.49300000 Y=0.22320000 Z=0.80700000 -8: X=0.99300000 Y=0.27680000 Z=0.69300000 -8: X=0.00700000 Y=0.72320000 Z=0.30700000 -8: X=0.72320000 Y=0.00700000 Z=0.69300000 -8: X=0.27680000 Y=0.99300000 Z=0.30700000 -8: X=0.49300000 Y=0.22320000 Z=0.19300000 -8: X=0.50700000 Y=0.77680000 Z=0.80700000 Na NPT= 781 R0=.000100000 RMT= 2.50000 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.35870000 Y=0.64130000 Z=0.00000000 MULT= 4 ISPLIT= 8 -9: X=0.64130000 Y=0.35870000 Z=0.00000000 -9: X=0.85870000 Y=0.85870000 Z=0.50000000 -9: X=0.14130000 Y=0.14130000 Z=0.50000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 0.0000000 0.7071068-0.7071068 0.0000000 0.7071068 0.7071068 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.08530000 Y=0.35750000 Z=0.00000000 MULT= 8 ISPLIT= 8 -10: X=0.91470000 Y=0.64250000 Z=0.00000000 -10: X=0.14250000 Y=0.58530000 Z=0.50000000 -10: X=0.85750000 Y=0.41470000 Z=0.50000000 -10: X=0.41470000 Y=0.85750000 Z=0.50000000 -10: X=0.58530000 Y=0.14250000 Z=0.50000000 -10: X=0.64250000 Y=0.91470000 Z=0.00000000 -10: X=0.35750000 Y=0.08530000 Z=0.00000000 Sn NPT= 781 R0=.000010000 RMT= 2.50000 Z: 50.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000