CXZ LATTICE,NONEQUIV.ATOMS 10 15 B2/b MODE OF CALC=RELA unit=bohr 36.976271 25.898697 10.084901 90.000000 90.000000 54.232000 ATOM -1: X=0.97488000 Y=0.42167000 Z=0.11570000 MULT= 4 ISPLIT=15 -1: X=0.02512000 Y=0.57833000 Z=0.88430000 -1: X=0.02512000 Y=0.07833000 Z=0.11570000 -1: X=0.97488000 Y=0.92167000 Z=0.88430000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.88560000 Y=0.12260000 Z=0.11800000 MULT= 4 ISPLIT=15 -2: X=0.11440000 Y=0.87740000 Z=0.88200000 -2: X=0.11440000 Y=0.37740000 Z=0.11800000 -2: X=0.88560000 Y=0.62260000 Z=0.88200000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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=0.83690000 Y=0.35930000 Z=0.12610000 MULT= 4 ISPLIT=15 -3: X=0.16310000 Y=0.64070000 Z=0.87390000 -3: X=0.16310000 Y=0.14070000 Z=0.12610000 -3: X=0.83690000 Y=0.85930000 Z=0.87390000 Sc NPT= 781 R0=.000050000 RMT= 2.00000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.76364000 Y=0.21745000 Z=0.41000000 MULT= 4 ISPLIT=15 -4: X=0.23636000 Y=0.78255000 Z=0.59000000 -4: X=0.23636000 Y=0.28255000 Z=0.41000000 -4: X=0.76364000 Y=0.71745000 Z=0.59000000 Re NPT= 781 R0=.000005000 RMT= 2.00000 Z: 75.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.72690000 Y=0.11140000 Z=0.12300000 MULT= 4 ISPLIT=15 -5: X=0.27310000 Y=0.88860000 Z=0.87700000 -5: X=0.27310000 Y=0.38860000 Z=0.12300000 -5: X=0.72690000 Y=0.61140000 Z=0.87700000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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 -6: X=0.67390000 Y=0.42880000 Z=0.27300000 MULT= 4 ISPLIT=15 -6: X=0.32610000 Y=0.57120000 Z=0.72700000 -6: X=0.32610000 Y=0.07120000 Z=0.27300000 -6: X=0.67390000 Y=0.92880000 Z=0.72700000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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 -7: X=0.61850000 Y=0.04970000 Z=0.13060000 MULT= 4 ISPLIT=15 -7: X=0.38150000 Y=0.95030000 Z=0.86940000 -7: X=0.38150000 Y=0.45030000 Z=0.13060000 -7: X=0.61850000 Y=0.54970000 Z=0.86940000 Sc NPT= 781 R0=.000050000 RMT= 2.00000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.57930000 Y=0.34590000 Z=0.11850000 MULT= 4 ISPLIT=15 -8: X=0.42070000 Y=0.65410000 Z=0.88150000 -8: X=0.42070000 Y=0.15410000 Z=0.11850000 -8: X=0.57930000 Y=0.84590000 Z=0.88150000 Sc NPT= 781 R0=.000050000 RMT= 2.00000 Z: 21.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.00000000 Y=0.25000000 Z=0.36700000 MULT= 2 ISPLIT=15 -9: X=0.00000000 Y=0.75000000 Z=0.63300000 Si NPT= 781 R0=.000100000 RMT= 2.00000 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 -10: X=0.00000000 Y=0.25000000 Z=0.88200000 MULT= 2 ISPLIT=15 -10: X=0.00000000 Y=0.75000000 Z=0.11800000 Si NPT= 781 R0=.000100000 RMT= 2.00000 Z: 14.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000