P LATTICE,NONEQUIV.ATOMS 9 62 Pnma MODE OF CALC=RELA unit=bohr 37.972157 7.394498 20.197393 90.000000 90.000000 90.000000 ATOM -1: X=0.42580000 Y=0.25000000 Z=0.64190000 MULT= 4 ISPLIT= 8 -1: X=0.57420000 Y=0.75000000 Z=0.35810000 -1: X=0.92580000 Y=0.25000000 Z=0.85810000 -1: X=0.07420000 Y=0.75000000 Z=0.14190000 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 -2: X=0.12620000 Y=0.25000000 Z=0.77440000 MULT= 4 ISPLIT= 8 -2: X=0.87380000 Y=0.75000000 Z=0.22560000 -2: X=0.62620000 Y=0.25000000 Z=0.72560000 -2: X=0.37380000 Y=0.75000000 Z=0.27440000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.23650000 Y=0.25000000 Z=0.46670000 MULT= 4 ISPLIT= 8 -3: X=0.76350000 Y=0.75000000 Z=0.53330000 -3: X=0.73650000 Y=0.25000000 Z=0.03330000 -3: X=0.26350000 Y=0.75000000 Z=0.96670000 Te NPT= 781 R0=.000010000 RMT= 2.50000 Z: 52.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.10740000 Y=0.25000000 Z=0.33450000 MULT= 4 ISPLIT= 8 -4: X=0.89260000 Y=0.75000000 Z=0.66550000 -4: X=0.60740000 Y=0.25000000 Z=0.16550000 -4: X=0.39260000 Y=0.75000000 Z=0.83450000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.16120000 Y=0.25000000 Z=0.03510000 MULT= 4 ISPLIT= 8 -5: X=0.83880000 Y=0.75000000 Z=0.96490000 -5: X=0.66120000 Y=0.25000000 Z=0.46490000 -5: X=0.33880000 Y=0.75000000 Z=0.53510000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.27140000 Y=0.25000000 Z=0.74940000 MULT= 4 ISPLIT= 8 -6: X=0.72860000 Y=0.75000000 Z=0.25060000 -6: X=0.77140000 Y=0.25000000 Z=0.75060000 -6: X=0.22860000 Y=0.75000000 Z=0.24940000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.46940000 Y=0.25000000 Z=0.37820000 MULT= 4 ISPLIT= 8 -7: X=0.53060000 Y=0.75000000 Z=0.62180000 -7: X=0.96940000 Y=0.25000000 Z=0.12180000 -7: X=0.03060000 Y=0.75000000 Z=0.87820000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.36150000 Y=0.25000000 Z=0.06790000 MULT= 4 ISPLIT= 8 -8: X=0.63850000 Y=0.75000000 Z=0.93210000 -8: X=0.86150000 Y=0.25000000 Z=0.43210000 -8: X=0.13850000 Y=0.75000000 Z=0.56790000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.00900000 Y=0.25000000 Z=0.60810000 MULT= 4 ISPLIT= 8 -9: X=0.99100000 Y=0.75000000 Z=0.39190000 -9: X=0.50900000 Y=0.25000000 Z=0.89190000 -9: X=0.49100000 Y=0.75000000 Z=0.10810000 Sc NPT= 781 R0=.000050000 RMT= 2.50000 Z: 21.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000