P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 10.382722 14.697156 10.444327 90.000000 90.000000 90.000000 ATOM -1: X=0.48210000 Y=0.25000000 Z=0.00300000 MULT= 4 ISPLIT=15 -1: X=0.51790000 Y=0.75000000 Z=0.99700000 -1: X=0.98210000 Y=0.25000000 Z=0.49700000 -1: X=0.01790000 Y=0.75000000 Z=0.50300000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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=0.00000000 Z=0.00000000 MULT= 4 ISPLIT=15 -2: X=0.50000000 Y=0.00000000 Z=0.50000000 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 -2: X=0.00000000 Y=0.50000000 Z=0.00000000 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=0.50330000 Y=0.25000000 Z=0.56650000 MULT= 4 ISPLIT=15 -3: X=0.49670000 Y=0.75000000 Z=0.43350000 -3: X=0.00330000 Y=0.25000000 Z=0.93350000 -3: X=0.99670000 Y=0.75000000 Z=0.06650000 O NPT= 781 R0=.000100000 RMT= 2.00000 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 -4: X=0.22890000 Y=0.03540000 Z=0.26950000 MULT= 8 ISPLIT=15 -4: X=0.77110000 Y=0.96460000 Z=0.73050000 -4: X=0.72890000 Y=0.03540000 Z=0.23050000 -4: X=0.27110000 Y=0.96460000 Z=0.76950000 -4: X=0.27110000 Y=0.53540000 Z=0.76950000 -4: X=0.72890000 Y=0.46460000 Z=0.23050000 -4: X=0.77110000 Y=0.53540000 Z=0.73050000 -4: X=0.22890000 Y=0.46460000 Z=0.26950000 O NPT= 781 R0=.000100000 RMT= 2.00000 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000