P LATTICE,NONEQUIV.ATOMS 8 59 Pmmn MODE OF CALC=RELA unit=bohr 7.150724 16.574788 19.199618 90.000000 90.000000 90.000000 ATOM -1: X=0.25000000 Y=0.06000000 Z=0.24000000 MULT= 4 ISPLIT= 8 -1: X=0.75000000 Y=0.94000000 Z=0.76000000 -1: X=0.75000000 Y=0.56000000 Z=0.76000000 -1: X=0.25000000 Y=0.44000000 Z=0.24000000 Nb NPT= 781 R0=.000010000 RMT= 1.60 Z: 41.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -2: X=0.25000000 Y=0.75000000 Z=0.52000000 MULT= 2 ISPLIT= 8 -2: X=0.75000000 Y=0.25000000 Z=0.48000000 Nb NPT= 781 R0=.000010000 RMT= 1.60 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25000000 Y=0.25000000 Z=0.92000000 MULT= 2 ISPLIT= 8 -3: X=0.75000000 Y=0.75000000 Z=0.08000000 Na NPT= 781 R0=.000100000 RMT= 2.10 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=0.25000000 Y=0.56000000 Z=0.72000000 MULT= 4 ISPLIT= 8 -4: X=0.75000000 Y=0.44000000 Z=0.28000000 -4: X=0.75000000 Y=0.06000000 Z=0.28000000 -4: X=0.25000000 Y=0.94000000 Z=0.72000000 O NPT= 781 R0=.000100000 RMT= 1.45 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.25000000 Y=0.53000000 Z=0.10000000 MULT= 4 ISPLIT= 8 -5: X=0.75000000 Y=0.47000000 Z=0.90000000 -5: X=0.75000000 Y=0.03000000 Z=0.90000000 -5: X=0.25000000 Y=0.97000000 Z=0.10000000 O NPT= 781 R0=.000100000 RMT= 1.45 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -6: X=0.25000000 Y=0.59000000 Z=0.42000000 MULT= 4 ISPLIT= 8 -6: X=0.75000000 Y=0.41000000 Z=0.58000000 -6: X=0.75000000 Y=0.09000000 Z=0.58000000 -6: X=0.25000000 Y=0.91000000 Z=0.42000000 O NPT= 781 R0=.000100000 RMT= 1.45 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.25000000 Y=0.25000000 Z=0.41000000 MULT= 2 ISPLIT= 8 -7: X=0.75000000 Y=0.75000000 Z=0.59000000 O NPT= 781 R0=.000100000 RMT= 1.45 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 -8: X=0.25000000 Y=0.25000000 Z=0.14000000 MULT= 2 ISPLIT= 8 -8: X=0.75000000 Y=0.75000000 Z=0.86000000 O NPT= 781 R0=.000100000 RMT= 1.45 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000