H LATTICE,NONEQUIV.ATOMS 10 150 P321 MODE OF CALC=RELA unit=bohr 21.437053 21.437053 8.976199 90.000000 90.000000120.000000 ATOM -1: X=0.67200000 Y=0.00000000 Z=0.00000000 MULT= 3 ISPLIT= 8 -1: X=0.00000000 Y=0.67200000 Z=0.00000000 -1: X=0.32800000 Y=0.32800000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.44 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 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 -3: X=0.33333333 Y=0.66666667 Z=0.10760000 MULT= 2 ISPLIT= 4 -3: X=0.66666667 Y=0.33333333 Z=0.89240000 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 -4: X=0.17910000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT= 8 -4: X=0.00000000 Y=0.17910000 Z=0.50000000 -4: X=0.82090000 Y=0.82090000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 1.70 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.49080000 Y=0.14980000 Z=0.39900000 MULT= 6 ISPLIT= 8 -5: X=0.85020000 Y=0.34100000 Z=0.39900000 -5: X=0.14980000 Y=0.49080000 Z=0.60100000 -5: X=0.65900000 Y=0.50920000 Z=0.39900000 -5: X=0.50920000 Y=0.65900000 Z=0.60100000 -5: X=0.34100000 Y=0.85020000 Z=0.60100000 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=0.48880000 Y=0.00000000 Z=0.50000000 MULT= 3 ISPLIT= 8 -6: X=0.00000000 Y=0.48880000 Z=0.50000000 -6: X=0.51120000 Y=0.51120000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000-0.5000000 0.8660254 0.0000000-0.8660254-0.5000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.60220000 Y=0.18000000 Z=0.12450000 MULT= 6 ISPLIT= 8 -7: X=0.82000000 Y=0.42220000 Z=0.12450000 -7: X=0.18000000 Y=0.60220000 Z=0.87550000 -7: X=0.57780000 Y=0.39780000 Z=0.12450000 -7: X=0.39780000 Y=0.57780000 Z=0.87550000 -7: X=0.42220000 Y=0.82000000 Z=0.87550000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -8: X=0.09300000 Y=0.15460000 Z=0.23640000 MULT= 6 ISPLIT= 8 -8: X=0.84540000 Y=0.93840000 Z=0.23640000 -8: X=0.15460000 Y=0.09300000 Z=0.76360000 -8: X=0.06160000 Y=0.90700000 Z=0.23640000 -8: X=0.90700000 Y=0.06160000 Z=0.76360000 -8: X=0.93840000 Y=0.84540000 Z=0.76360000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -9: X=0.32550000 Y=0.11100000 Z=0.29490000 MULT= 6 ISPLIT= 8 -9: X=0.88900000 Y=0.21450000 Z=0.29490000 -9: X=0.11100000 Y=0.32550000 Z=0.70510000 -9: X=0.78550000 Y=0.67450000 Z=0.29490000 -9: X=0.67450000 Y=0.78550000 Z=0.70510000 -9: X=0.21450000 Y=0.88900000 Z=0.70510000 O NPT= 781 R0=.000100000 RMT= 1.54 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=0.26060000 Y=0.51020000 Z=0.32780000 MULT= 6 ISPLIT= 8 -10: X=0.48980000 Y=0.75040000 Z=0.32780000 -10: X=0.51020000 Y=0.26060000 Z=0.67220000 -10: X=0.24960000 Y=0.73940000 Z=0.32780000 -10: X=0.73940000 Y=0.24960000 Z=0.67220000 -10: X=0.75040000 Y=0.48980000 Z=0.67220000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000