P LATTICE,NONEQUIV.ATOMS 6 62 Pnma MODE OF CALC=RELA unit=bohr 25.992994 8.917996 27.140814 90.000000 90.000000 90.000000 ATOM -1: X=0.17210000 Y=0.25000000 Z=0.01940000 MULT= 4 ISPLIT= 8 -1: X=0.82790000 Y=0.75000000 Z=0.98060000 -1: X=0.67210000 Y=0.25000000 Z=0.48060000 -1: X=0.32790000 Y=0.75000000 Z=0.51940000 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=0.01250000 Y=0.25000000 Z=0.67380000 MULT= 4 ISPLIT= 8 -2: X=0.98750000 Y=0.75000000 Z=0.32620000 -2: X=0.51250000 Y=0.25000000 Z=0.82620000 -2: X=0.48750000 Y=0.75000000 Z=0.17380000 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 -3: X=0.25480000 Y=0.25000000 Z=0.30410000 MULT= 4 ISPLIT= 8 -3: X=0.74520000 Y=0.75000000 Z=0.69590000 -3: X=0.75480000 Y=0.25000000 Z=0.19590000 -3: X=0.24520000 Y=0.75000000 Z=0.80410000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.13850000 Y=0.25000000 Z=0.45310000 MULT= 4 ISPLIT= 8 -4: X=0.86150000 Y=0.75000000 Z=0.54690000 -4: X=0.63850000 Y=0.25000000 Z=0.04690000 -4: X=0.36150000 Y=0.75000000 Z=0.95310000 Br NPT= 781 R0=.000050000 RMT= 2.45 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 -5: X=0.44200000 Y=0.25000000 Z=0.36080000 MULT= 4 ISPLIT= 8 -5: X=0.55800000 Y=0.75000000 Z=0.63920000 -5: X=0.94200000 Y=0.25000000 Z=0.13920000 -5: X=0.05800000 Y=0.75000000 Z=0.86080000 Br NPT= 781 R0=.000050000 RMT= 2.45 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 -6: X=0.27570000 Y=0.25000000 Z=0.71030000 MULT= 4 ISPLIT= 8 -6: X=0.72430000 Y=0.75000000 Z=0.28970000 -6: X=0.77570000 Y=0.25000000 Z=0.78970000 -6: X=0.22430000 Y=0.75000000 Z=0.21030000 Br NPT= 781 R0=.000050000 RMT= 2.45 Z: 35.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000