P LATTICE,NONEQUIV.ATOMS 7 62 Pnma MODE OF CALC=RELA unit=bohr 19.403708 16.429279 8.787227 90.000000 90.000000 90.000000 ATOM -1: X=0.09370000 Y=0.25000000 Z=0.00680000 MULT= 4 ISPLIT= 8 -1: X=0.90630000 Y=0.75000000 Z=0.99320000 -1: X=0.59370000 Y=0.25000000 Z=0.49320000 -1: X=0.40630000 Y=0.75000000 Z=0.50680000 Mg NPT= 781 R0=.000100000 RMT= 1.82 Z: 12.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.36671000 Y=0.07031000 Z=0.01030000 MULT= 8 ISPLIT= 8 -2: X=0.63329000 Y=0.92969000 Z=0.98970000 -2: X=0.86671000 Y=0.07031000 Z=0.48970000 -2: X=0.13329000 Y=0.92969000 Z=0.51030000 -2: X=0.13329000 Y=0.57031000 Z=0.51030000 -2: X=0.86671000 Y=0.42969000 Z=0.48970000 -2: X=0.63329000 Y=0.57031000 Z=0.98970000 -2: X=0.36671000 Y=0.42969000 Z=0.01030000 Mg NPT= 781 R0=.000100000 RMT= 1.82 Z: 12.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.28050000 Y=0.25000000 Z=0.58070000 MULT= 4 ISPLIT= 8 -3: X=0.71950000 Y=0.75000000 Z=0.41930000 -3: X=0.78050000 Y=0.25000000 Z=0.91930000 -3: X=0.21950000 Y=0.75000000 Z=0.08070000 Si NPT= 781 R0=.000100000 RMT= 1.36 Z: 14.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.03270000 Y=0.08350000 Z=0.27220000 MULT= 8 ISPLIT= 8 -4: X=0.96730000 Y=0.91650000 Z=0.72780000 -4: X=0.53270000 Y=0.08350000 Z=0.22780000 -4: X=0.46730000 Y=0.91650000 Z=0.77220000 -4: X=0.46730000 Y=0.58350000 Z=0.77220000 -4: X=0.53270000 Y=0.41650000 Z=0.22780000 -4: X=0.96730000 Y=0.58350000 Z=0.72780000 -4: X=0.03270000 Y=0.41650000 Z=0.27220000 F NPT= 781 R0=.000100000 RMT= 1.91 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.42640000 Y=0.25000000 Z=0.72680000 MULT= 4 ISPLIT= 8 -5: X=0.57360000 Y=0.75000000 Z=0.27320000 -5: X=0.92640000 Y=0.25000000 Z=0.77320000 -5: X=0.07360000 Y=0.75000000 Z=0.22680000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.29060000 Y=0.60460000 Z=0.23120000 MULT= 8 ISPLIT= 8 -6: X=0.70940000 Y=0.39540000 Z=0.76880000 -6: X=0.79060000 Y=0.60460000 Z=0.26880000 -6: X=0.20940000 Y=0.39540000 Z=0.73120000 -6: X=0.20940000 Y=0.10460000 Z=0.73120000 -6: X=0.79060000 Y=0.89540000 Z=0.26880000 -6: X=0.70940000 Y=0.10460000 Z=0.76880000 -6: X=0.29060000 Y=0.89540000 Z=0.23120000 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=0.27940000 Y=0.25000000 Z=0.24300000 MULT= 4 ISPLIT= 8 -7: X=0.72060000 Y=0.75000000 Z=0.75700000 -7: X=0.77940000 Y=0.25000000 Z=0.25700000 -7: X=0.22060000 Y=0.75000000 Z=0.74300000 O NPT= 781 R0=.000100000 RMT= 1.59 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000