P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 29.014855 5.899725 9.694295 90.000000 90.000000 90.000000 ATOM -1: X=0.15000000 Y=0.25000000 Z=0.35000000 MULT= 4 ISPLIT=15 -1: X=0.85000000 Y=0.75000000 Z=0.65000000 -1: X=0.65000000 Y=0.25000000 Z=0.15000000 -1: X=0.35000000 Y=0.75000000 Z=0.85000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01300000 Y=0.25000000 Z=0.14700000 MULT= 4 ISPLIT=15 -2: X=0.98700000 Y=0.75000000 Z=0.85300000 -2: X=0.51300000 Y=0.25000000 Z=0.35300000 -2: X=0.48700000 Y=0.75000000 Z=0.64700000 P NPT= 781 R0=.000100000 RMT= 2.00000 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.38200000 Y=0.25000000 Z=0.18000000 MULT= 4 ISPLIT=15 -3: X=0.61800000 Y=0.75000000 Z=0.82000000 -3: X=0.88200000 Y=0.25000000 Z=0.32000000 -3: X=0.11800000 Y=0.75000000 Z=0.68000000 P NPT= 781 R0=.000100000 RMT= 2.00000 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.29300000 Y=0.25000000 Z=0.52200000 MULT= 4 ISPLIT=15 -4: X=0.70700000 Y=0.75000000 Z=0.47800000 -4: X=0.79300000 Y=0.25000000 Z=0.97800000 -4: X=0.20700000 Y=0.75000000 Z=0.02200000 P NPT= 781 R0=.000100000 RMT= 2.00000 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000