P LATTICE,NONEQUIV.ATOMS 4 62 Pnma MODE OF CALC=RELA unit=bohr 18.967181 12.324794 18.026098 90.000000 90.000000 90.000000 ATOM -1: X=0.18250000 Y=0.25000000 Z=0.04660000 MULT= 4 ISPLIT= 8 -1: X=0.81750000 Y=0.75000000 Z=0.95340000 -1: X=0.68250000 Y=0.25000000 Z=0.45340000 -1: X=0.31750000 Y=0.75000000 Z=0.54660000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.32600000 Y=0.25000000 Z=0.38330000 MULT= 4 ISPLIT= 8 -2: X=0.67400000 Y=0.75000000 Z=0.61670000 -2: X=0.82600000 Y=0.25000000 Z=0.11670000 -2: X=0.17400000 Y=0.75000000 Z=0.88330000 Br NPT= 781 R0=.000050000 RMT= 2.29 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.11950000 Y=0.25000000 Z=0.56440000 MULT= 4 ISPLIT= 8 -3: X=0.88050000 Y=0.75000000 Z=0.43560000 -3: X=0.61950000 Y=0.25000000 Z=0.93560000 -3: X=0.38050000 Y=0.75000000 Z=0.06440000 Br NPT= 781 R0=.000050000 RMT= 2.29 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.43970000 Y=0.25000000 Z=0.76340000 MULT= 4 ISPLIT= 8 -4: X=0.56030000 Y=0.75000000 Z=0.23660000 -4: X=0.93970000 Y=0.25000000 Z=0.73660000 -4: X=0.06030000 Y=0.75000000 Z=0.26340000 Br NPT= 781 R0=.000050000 RMT= 2.29 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000