P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 11.055276 14.865531 10.563191 90.000000 90.000000 90.000000 ATOM -1: X=0.44050000 Y=0.25000000 Z=0.01360000 MULT= 4 ISPLIT=15 -1: X=0.55950000 Y=0.75000000 Z=0.98640000 -1: X=0.94050000 Y=0.25000000 Z=0.48640000 -1: X=0.05950000 Y=0.75000000 Z=0.51360000 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 Pd NPT= 781 R0=.000010000 RMT= 2.00000 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.53400000 Y=0.25000000 Z=0.62000000 MULT= 4 ISPLIT=15 -3: X=0.46600000 Y=0.75000000 Z=0.38000000 -3: X=0.03400000 Y=0.25000000 Z=0.88000000 -3: X=0.96600000 Y=0.75000000 Z=0.12000000 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=0.20500000 Y=0.04400000 Z=0.28900000 MULT= 8 ISPLIT=15 -4: X=0.79500000 Y=0.95600000 Z=0.71100000 -4: X=0.70500000 Y=0.04400000 Z=0.21100000 -4: X=0.29500000 Y=0.95600000 Z=0.78900000 -4: X=0.29500000 Y=0.54400000 Z=0.78900000 -4: X=0.70500000 Y=0.45600000 Z=0.21100000 -4: X=0.79500000 Y=0.54400000 Z=0.71100000 -4: X=0.20500000 Y=0.45600000 Z=0.28900000 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