CXZ LATTICE,NONEQUIV.ATOMS 8 15 B2/b MODE OF CALC=RELA unit=bohr 15.427724 24.157125 8.825210 90.000000 90.000000 89.870000 ATOM -1: X=0.99850000 Y=0.14700000 Z=0.00260000 MULT= 4 ISPLIT= 8 -1: X=0.00150000 Y=0.85300000 Z=0.99740000 -1: X=0.00150000 Y=0.35300000 Z=0.00260000 -1: X=0.99850000 Y=0.64700000 Z=0.99740000 Si NPT= 781 R0=.000100000 RMT= 1.56 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 -2: X=0.67750000 Y=0.18650000 Z=0.00940000 MULT= 4 ISPLIT= 8 -2: X=0.32250000 Y=0.81350000 Z=0.99060000 -2: X=0.32250000 Y=0.31350000 Z=0.00940000 -2: X=0.67750000 Y=0.68650000 Z=0.99060000 Si NPT= 781 R0=.000100000 RMT= 1.56 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 -3: X=0.82170000 Y=0.02000000 Z=0.50670000 MULT= 4 ISPLIT= 8 -3: X=0.17830000 Y=0.98000000 Z=0.49330000 -3: X=0.17830000 Y=0.48000000 Z=0.50670000 -3: X=0.82170000 Y=0.52000000 Z=0.49330000 Si NPT= 781 R0=.000100000 RMT= 1.56 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=0.64860000 Y=0.24790000 Z=0.35780000 MULT= 4 ISPLIT= 8 -4: X=0.35140000 Y=0.75210000 Z=0.64220000 -4: X=0.35140000 Y=0.25210000 Z=0.35780000 -4: X=0.64860000 Y=0.74790000 Z=0.64220000 N NPT= 781 R0=.000100000 RMT= 1.77 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.81970000 Y=0.08300000 Z=0.16070000 MULT= 4 ISPLIT= 8 -5: X=0.18030000 Y=0.91700000 Z=0.83930000 -5: X=0.18030000 Y=0.41700000 Z=0.16070000 -5: X=0.81970000 Y=0.58300000 Z=0.83930000 N NPT= 781 R0=.000100000 RMT= 1.77 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.83800000 Y=0.41480000 Z=0.20940000 MULT= 4 ISPLIT= 8 -6: X=0.16200000 Y=0.58520000 Z=0.79060000 -6: X=0.16200000 Y=0.08520000 Z=0.20940000 -6: X=0.83800000 Y=0.91480000 Z=0.79060000 N NPT= 781 R0=.000100000 RMT= 1.77 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.50570000 Y=0.08170000 Z=0.16150000 MULT= 4 ISPLIT= 8 -7: X=0.49430000 Y=0.91830000 Z=0.83850000 -7: X=0.49430000 Y=0.41830000 Z=0.16150000 -7: X=0.50570000 Y=0.58170000 Z=0.83850000 O NPT= 781 R0=.000100000 RMT= 1.82 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=0.00000000 Y=0.25000000 Z=0.33290000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.75000000 Z=0.66710000 O NPT= 781 R0=.000100000 RMT= 1.82 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000