P LATTICE,NONEQUIV.ATOMS 8 58 Pnnm MODE OF CALC=RELA unit=bohr 15.015953 15.620476 12.312133 90.000000 90.000000 90.000000 ATOM -1: X=0.27540000 Y=0.12530000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.72460000 Y=0.87470000 Z=0.00000000 -1: X=0.22460000 Y=0.62530000 Z=0.50000000 -1: X=0.77540000 Y=0.37470000 Z=0.50000000 Ga NPT= 781 R0=.000050000 RMT= 1.82 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=0.24050000 Y=0.75460000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.75950000 Y=0.24540000 Z=0.00000000 -2: X=0.25950000 Y=0.25460000 Z=0.50000000 -2: X=0.74050000 Y=0.74540000 Z=0.50000000 Na NPT= 781 R0=.000100000 RMT= 2.27 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.25880000 MULT= 4 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.74120000 -3: X=0.50000000 Y=0.50000000 Z=0.75880000 -3: X=0.50000000 Y=0.50000000 Z=0.24120000 Na NPT= 781 R0=.000100000 RMT= 2.27 Z: 11.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.06530000 Y=0.22460000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.93470000 Y=0.77540000 Z=0.00000000 -4: X=0.43470000 Y=0.72460000 Z=0.50000000 -4: X=0.56530000 Y=0.27540000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.64 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 -5: X=0.30330000 Y=0.01180000 Z=0.24070000 MULT= 8 ISPLIT= 8 -5: X=0.69670000 Y=0.98820000 Z=0.75930000 -5: X=0.30330000 Y=0.01180000 Z=0.75930000 -5: X=0.69670000 Y=0.98820000 Z=0.24070000 -5: X=0.19670000 Y=0.51180000 Z=0.74070000 -5: X=0.80330000 Y=0.48820000 Z=0.25930000 -5: X=0.19670000 Y=0.51180000 Z=0.25930000 -5: X=0.80330000 Y=0.48820000 Z=0.74070000 O NPT= 781 R0=.000100000 RMT= 1.64 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 -6: X=0.45050000 Y=0.27790000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.54950000 Y=0.72210000 Z=0.00000000 -6: X=0.04950000 Y=0.77790000 Z=0.50000000 -6: X=0.95050000 Y=0.22210000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.64 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 -7: X=0.01580000 Y=0.35020000 Z=0.24420000 MULT= 8 ISPLIT= 8 -7: X=0.98420000 Y=0.64980000 Z=0.75580000 -7: X=0.01580000 Y=0.35020000 Z=0.75580000 -7: X=0.98420000 Y=0.64980000 Z=0.24420000 -7: X=0.48420000 Y=0.85020000 Z=0.74420000 -7: X=0.51580000 Y=0.14980000 Z=0.25580000 -7: X=0.48420000 Y=0.85020000 Z=0.25580000 -7: X=0.51580000 Y=0.14980000 Z=0.74420000 Li NPT= 781 R0=.000100000 RMT= 1.58 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.23510000 Y=0.42330000 Z=0.00000000 MULT= 4 ISPLIT= 8 -8: X=0.76490000 Y=0.57670000 Z=0.00000000 -8: X=0.26490000 Y=0.92330000 Z=0.50000000 -8: X=0.73510000 Y=0.07670000 Z=0.50000000 Li NPT= 781 R0=.000100000 RMT= 1.58 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000