P LATTICE,NONEQUIV.ATOMS 8 11 P21/m MODE OF CALC=RELA unit=bohr 13.062165 10.310724 13.985674 90.000000 90.000000101.237000 ATOM -1: X=0.50000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.50000000 Y=0.00000000 Z=0.50000000 Ag NPT= 781 R0=.000010000 RMT= 2.26 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.31192000 Y=0.54995000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.68808000 Y=0.45005000 Z=0.75000000 Ag NPT= 781 R0=.000010000 RMT= 2.26 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.00000000 Y=0.00000000 Z=0.50000000 Te NPT= 781 R0=.000010000 RMT= 1.85 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.81811000 Y=0.48457000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.18189000 Y=0.51543000 Z=0.75000000 Te NPT= 781 R0=.000010000 RMT= 1.85 Z: 52.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.55690000 Y=0.33430000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.44310000 Y=0.66570000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.59 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 -6: X=0.06200000 Y=0.09890000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.93800000 Y=0.90110000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.59 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 -7: X=0.17120000 Y=0.76950000 Z=0.01250000 MULT= 4 ISPLIT= 8 -7: X=0.82880000 Y=0.23050000 Z=0.98750000 -7: X=0.82880000 Y=0.23050000 Z=0.51250000 -7: X=0.17120000 Y=0.76950000 Z=0.48750000 O NPT= 781 R0=.000100000 RMT= 1.59 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=0.22400000 Y=0.26000000 Z=0.56450000 MULT= 4 ISPLIT= 8 -8: X=0.77600000 Y=0.74000000 Z=0.43550000 -8: X=0.77600000 Y=0.74000000 Z=0.06450000 -8: X=0.22400000 Y=0.26000000 Z=0.93550000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000