P LATTICE,NONEQUIV.ATOMS 3 62 Pnma MODE OF CALC=RELA unit=bohr 13.725081 8.545342 14.754982 90.000000 90.000000 90.000000 ATOM -1: X=0.03000000 Y=0.25000000 Z=0.67800000 MULT= 4 ISPLIT=15 -1: X=0.97000000 Y=0.75000000 Z=0.32200000 -1: X=0.53000000 Y=0.25000000 Z=0.82200000 -1: X=0.47000000 Y=0.75000000 Z=0.17800000 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=0.28600000 Y=0.25000000 Z=0.38700000 MULT= 4 ISPLIT=15 -2: X=0.71400000 Y=0.75000000 Z=0.61300000 -2: X=0.78600000 Y=0.25000000 Z=0.11300000 -2: X=0.21400000 Y=0.75000000 Z=0.88700000 Pt NPT= 781 R0=.000005000 RMT= 2.00000 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.14500000 Y=0.25000000 Z=0.06700000 MULT= 4 ISPLIT=15 -3: X=0.85500000 Y=0.75000000 Z=0.93300000 -3: X=0.64500000 Y=0.25000000 Z=0.43300000 -3: X=0.35500000 Y=0.75000000 Z=0.56700000 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