P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 30.889463 7.815907 11.438512 90.000000 90.000000 90.000000 ATOM -1: X=0.35680000 Y=0.25000000 Z=0.50520000 MULT= 4 ISPLIT=15 -1: X=0.64320000 Y=0.75000000 Z=0.49480000 -1: X=0.85680000 Y=0.25000000 Z=0.99480000 -1: X=0.14320000 Y=0.75000000 Z=0.00520000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 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=0.10650000 Y=0.25000000 Z=0.25630000 MULT= 4 ISPLIT=15 -2: X=0.89350000 Y=0.75000000 Z=0.74370000 -2: X=0.60650000 Y=0.25000000 Z=0.24370000 -2: X=0.39350000 Y=0.75000000 Z=0.75630000 Ga NPT= 781 R0=.000050000 RMT= 2.00000 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=0.28600000 Y=0.25000000 Z=0.01250000 MULT= 4 ISPLIT=15 -3: X=0.71400000 Y=0.75000000 Z=0.98750000 -3: X=0.78600000 Y=0.25000000 Z=0.48750000 -3: X=0.21400000 Y=0.75000000 Z=0.51250000 Th NPT= 781 R0=.000005000 RMT= 2.00000 Z: 90.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.03660000 Y=0.25000000 Z=0.75020000 MULT= 4 ISPLIT=15 -4: X=0.96340000 Y=0.75000000 Z=0.24980000 -4: X=0.53660000 Y=0.25000000 Z=0.74980000 -4: X=0.46340000 Y=0.75000000 Z=0.25020000 Th NPT= 781 R0=.000005000 RMT= 2.00000 Z: 90.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000