P LATTICE,NONEQUIV.ATOMS 7 58 Pnnm MODE OF CALC=RELA unit=bohr 14.672968 14.885184 10.682055 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.25480000 MULT= 4 ISPLIT= 8 -1: X=0.00000000 Y=0.00000000 Z=0.74520000 -1: X=0.50000000 Y=0.50000000 Z=0.75480000 -1: X=0.50000000 Y=0.50000000 Z=0.24520000 Al NPT= 781 R0=.000100000 RMT= 1.73 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.63700000 Y=0.13520000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.36300000 Y=0.86480000 Z=0.00000000 -2: X=0.86300000 Y=0.63520000 Z=0.50000000 -2: X=0.13700000 Y=0.36480000 Z=0.50000000 Al NPT= 781 R0=.000100000 RMT= 1.73 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.25730000 Y=0.24810000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.74270000 Y=0.75190000 Z=0.00000000 -3: X=0.24270000 Y=0.74810000 Z=0.50000000 -3: X=0.75730000 Y=0.25190000 Z=0.50000000 Si NPT= 781 R0=.000100000 RMT= 1.36 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 -4: X=0.56500000 Y=0.36040000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.43500000 Y=0.63960000 Z=0.00000000 -4: X=0.93500000 Y=0.86040000 Z=0.50000000 -4: X=0.06500000 Y=0.13960000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.58 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 -5: X=0.09160000 Y=0.13000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.90840000 Y=0.87000000 Z=0.00000000 -5: X=0.40840000 Y=0.63000000 Z=0.50000000 -5: X=0.59160000 Y=0.37000000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.39480000 Y=0.10230000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.60520000 Y=0.89770000 Z=0.00000000 -6: X=0.10520000 Y=0.60230000 Z=0.50000000 -6: X=0.89480000 Y=0.39770000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.58 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=0.27120000 Y=0.35680000 Z=0.23150000 MULT= 8 ISPLIT= 8 -7: X=0.72880000 Y=0.64320000 Z=0.76850000 -7: X=0.27120000 Y=0.35680000 Z=0.76850000 -7: X=0.72880000 Y=0.64320000 Z=0.23150000 -7: X=0.22880000 Y=0.85680000 Z=0.73150000 -7: X=0.77120000 Y=0.14320000 Z=0.26850000 -7: X=0.22880000 Y=0.85680000 Z=0.26850000 -7: X=0.77120000 Y=0.14320000 Z=0.73150000 O NPT= 781 R0=.000100000 RMT= 1.58 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000