P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 26.205588 6.987451 7.491630 90.000000 90.000000 90.000000 ATOM -1: X=0.10160000 Y=0.25000000 Z=0.08620000 MULT= 4 ISPLIT= 8 -1: X=0.89840000 Y=0.75000000 Z=0.91380000 -1: X=0.60160000 Y=0.25000000 Z=0.41380000 -1: X=0.39840000 Y=0.75000000 Z=0.58620000 Mo NPT= 781 R0=.000010000 RMT= 1.65 Z: 42.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.08830000 Y=0.25000000 Z=0.52220000 MULT= 4 ISPLIT= 8 -2: X=0.91170000 Y=0.75000000 Z=0.47780000 -2: X=0.58830000 Y=0.25000000 Z=0.97780000 -2: X=0.41170000 Y=0.75000000 Z=0.02220000 O NPT= 781 R0=.000100000 RMT= 1.50 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.43570000 Y=0.25000000 Z=0.50180000 MULT= 4 ISPLIT= 8 -3: X=0.56430000 Y=0.75000000 Z=0.49820000 -3: X=0.93570000 Y=0.25000000 Z=0.99820000 -3: X=0.06430000 Y=0.75000000 Z=0.00180000 O NPT= 781 R0=.000100000 RMT= 1.50 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.22170000 Y=0.25000000 Z=0.03460000 MULT= 4 ISPLIT= 8 -4: X=0.77830000 Y=0.75000000 Z=0.96540000 -4: X=0.72170000 Y=0.25000000 Z=0.46540000 -4: X=0.27830000 Y=0.75000000 Z=0.53460000 O NPT= 781 R0=.000100000 RMT= 1.50 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000