CXY LATTICE,NONEQUIV.ATOMS 5 63 Cmcm MODE OF CALC=RELA unit=bohr 17.755867 14.314675 17.738859 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.01800000 Z=0.25000000 MULT= 2 ISPLIT=15 -1: X=0.00000000 Y=0.98200000 Z=0.75000000 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=0.00000000 Y=0.30900000 Z=0.05200000 MULT= 4 ISPLIT=15 -2: X=0.00000000 Y=0.69100000 Z=0.94800000 -2: X=0.00000000 Y=0.30900000 Z=0.44800000 -2: X=0.00000000 Y=0.69100000 Z=0.55200000 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=0.20800000 Y=0.28400000 Z=0.25000000 MULT= 4 ISPLIT=15 -3: X=0.79200000 Y=0.71600000 Z=0.75000000 -3: X=0.79200000 Y=0.28400000 Z=0.25000000 -3: X=0.20800000 Y=0.71600000 Z=0.75000000 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 -4: X=0.00000000 Y=0.63200000 Z=0.25000000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.36800000 Z=0.75000000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.20600000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT=15 -5: X=0.79400000 Y=0.00000000 Z=0.00000000 -5: X=0.20600000 Y=0.00000000 Z=0.50000000 -5: X=0.79400000 Y=0.00000000 Z=0.50000000 U NPT= 781 R0=.000005000 RMT= 2.00000 Z: 92.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000