R LATTICE,NONEQUIV.ATOMS 8 155 R32 MODE OF CALC=RELA unit=bohr 27.066547 27.066547 33.741056 90.000000 90.000000120.000000 ATOM -1: X=0.06930000 Y=0.06930000 Z=0.06930000 MULT= 2 ISPLIT= 4 -1: X=0.93070000 Y=0.93070000 Z=0.93070000 Ga NPT= 781 R0=.000050000 RMT= 2.32 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=0.16290000 Y=0.33179000 Z=0.75200000 MULT= 6 ISPLIT= 8 -2: X=0.33179000 Y=0.75200000 Z=0.16290000 -2: X=0.83710000 Y=0.24800000 Z=0.66821000 -2: X=0.75200000 Y=0.16290000 Z=0.33179000 -2: X=0.24800000 Y=0.66821000 Z=0.83710000 -2: X=0.66821000 Y=0.83710000 Z=0.24800000 Ga NPT= 781 R0=.000050000 RMT= 2.32 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 -3: X=0.34950000 Y=0.38220000 Z=0.07530000 MULT= 6 ISPLIT= 8 -3: X=0.38220000 Y=0.07530000 Z=0.34950000 -3: X=0.65050000 Y=0.92470000 Z=0.61780000 -3: X=0.07530000 Y=0.34950000 Z=0.38220000 -3: X=0.92470000 Y=0.61780000 Z=0.65050000 -3: X=0.61780000 Y=0.65050000 Z=0.92470000 Ga NPT= 781 R0=.000050000 RMT= 2.32 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 -4: X=0.33200000 Y=0.33200000 Z=0.33200000 MULT= 2 ISPLIT= 4 -4: X=0.66800000 Y=0.66800000 Z=0.66800000 Te NPT= 781 R0=.000010000 RMT= 2.46 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.66970000 Y=0.33030000 Z=0.50000000 MULT= 3 ISPLIT= 8 -5: X=0.33030000 Y=0.50000000 Z=0.66970000 -5: X=0.50000000 Y=0.66970000 Z=0.33030000 Te NPT= 781 R0=.000010000 RMT= 2.46 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.58980000 Y=0.41020000 Z=0.00000000 MULT= 3 ISPLIT= 8 -6: X=0.41020000 Y=0.00000000 Z=0.58980000 -6: X=0.00000000 Y=0.58980000 Z=0.41020000 Te NPT= 781 R0=.000010000 RMT= 2.46 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.26760000 Y=0.17960000 Z=0.93638000 MULT= 6 ISPLIT= 8 -7: X=0.17960000 Y=0.93638000 Z=0.26760000 -7: X=0.73240000 Y=0.06362000 Z=0.82040000 -7: X=0.93638000 Y=0.26760000 Z=0.17960000 -7: X=0.06362000 Y=0.82040000 Z=0.73240000 -7: X=0.82040000 Y=0.73240000 Z=0.06362000 Te NPT= 781 R0=.000010000 RMT= 2.46 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.42783000 Y=0.83040000 Z=0.92993000 MULT= 6 ISPLIT= 8 -8: X=0.83040000 Y=0.92993000 Z=0.42783000 -8: X=0.57217000 Y=0.07007000 Z=0.16960000 -8: X=0.92993000 Y=0.42783000 Z=0.83040000 -8: X=0.07007000 Y=0.16960000 Z=0.57217000 -8: X=0.16960000 Y=0.57217000 Z=0.07007000 Te NPT= 781 R0=.000010000 RMT= 2.46 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000