P LATTICE,NONEQUIV.ATOMS 7 58 Pnnm MODE OF CALC=RELA unit=bohr 17.211626 18.625141 11.850473 90.000000 90.000000 90.000000 ATOM -1: X=0.06620000 Y=0.37720000 Z=0.22270000 MULT= 8 ISPLIT= 8 -1: X=0.93380000 Y=0.62280000 Z=0.77730000 -1: X=0.06620000 Y=0.37720000 Z=0.77730000 -1: X=0.93380000 Y=0.62280000 Z=0.22270000 -1: X=0.43380000 Y=0.87720000 Z=0.72270000 -1: X=0.56620000 Y=0.12280000 Z=0.27730000 -1: X=0.43380000 Y=0.87720000 Z=0.27730000 -1: X=0.56620000 Y=0.12280000 Z=0.72270000 Ag NPT= 781 R0=.000010000 RMT= 2.33 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=0.20190000 Y=0.59750000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.79810000 Y=0.40250000 Z=0.00000000 -2: X=0.29810000 Y=0.09750000 Z=0.50000000 -2: X=0.70190000 Y=0.90250000 Z=0.50000000 Ag NPT= 781 R0=.000010000 RMT= 2.33 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=0.39310000 Y=0.37730000 Z=0.24490000 MULT= 8 ISPLIT= 8 -3: X=0.60690000 Y=0.62270000 Z=0.75510000 -3: X=0.39310000 Y=0.37730000 Z=0.75510000 -3: X=0.60690000 Y=0.62270000 Z=0.24490000 -3: X=0.10690000 Y=0.87730000 Z=0.74490000 -3: X=0.89310000 Y=0.12270000 Z=0.25510000 -3: X=0.10690000 Y=0.87730000 Z=0.25510000 -3: X=0.89310000 Y=0.12270000 Z=0.74490000 Ag NPT= 781 R0=.000010000 RMT= 2.33 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 -4: X=0.23930000 Y=0.11630000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.76070000 Y=0.88370000 Z=0.00000000 -4: X=0.26070000 Y=0.61630000 Z=0.50000000 -4: X=0.73930000 Y=0.38370000 Z=0.50000000 Si NPT= 781 R0=.000100000 RMT= 1.42 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.72780000 Y=0.04880000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.27220000 Y=0.95120000 Z=0.00000000 -5: X=0.77220000 Y=0.54880000 Z=0.50000000 -5: X=0.22780000 Y=0.45120000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.65 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=0.39390000 Y=0.20240000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.60610000 Y=0.79760000 Z=0.00000000 -6: X=0.10610000 Y=0.70240000 Z=0.50000000 -6: X=0.89390000 Y=0.29760000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.65 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=0.14660000 Y=0.15020000 Z=0.21750000 MULT= 8 ISPLIT= 8 -7: X=0.85340000 Y=0.84980000 Z=0.78250000 -7: X=0.14660000 Y=0.15020000 Z=0.78250000 -7: X=0.85340000 Y=0.84980000 Z=0.21750000 -7: X=0.35340000 Y=0.65020000 Z=0.71750000 -7: X=0.64660000 Y=0.34980000 Z=0.28250000 -7: X=0.35340000 Y=0.65020000 Z=0.28250000 -7: X=0.64660000 Y=0.34980000 Z=0.71750000 O NPT= 781 R0=.000100000 RMT= 1.65 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000