CXZ LATTICE,NONEQUIV.ATOMS 8 15 B2/b MODE OF CALC=RELA unit=bohr 30.409473 20.653951 14.950946 90.000000 90.000000 82.041000 ATOM -1: X=0.69620000 Y=0.31990000 Z=0.12000000 MULT= 4 ISPLIT=15 -1: X=0.30380000 Y=0.68010000 Z=0.88000000 -1: X=0.30380000 Y=0.18010000 Z=0.12000000 -1: X=0.69620000 Y=0.81990000 Z=0.88000000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.00000000 Y=0.25000000 Z=0.09410000 MULT= 2 ISPLIT=15 -2: X=0.00000000 Y=0.75000000 Z=0.90590000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.25000000 Z=0.51430000 MULT= 2 ISPLIT=15 -3: X=0.00000000 Y=0.75000000 Z=0.48570000 I NPT= 781 R0=.000010000 RMT= 2.00000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.84210000 Y=0.02930000 Z=0.04100000 MULT= 4 ISPLIT=15 -4: X=0.15790000 Y=0.97070000 Z=0.95900000 -4: X=0.15790000 Y=0.47070000 Z=0.04100000 -4: X=0.84210000 Y=0.52930000 Z=0.95900000 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 -5: X=0.85510000 Y=0.14340000 Z=0.24230000 MULT= 4 ISPLIT=15 -5: X=0.14490000 Y=0.85660000 Z=0.75770000 -5: X=0.14490000 Y=0.35660000 Z=0.24230000 -5: X=0.85510000 Y=0.64340000 Z=0.75770000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.77860000 Y=0.41620000 Z=0.43300000 MULT= 4 ISPLIT=15 -6: X=0.22140000 Y=0.58380000 Z=0.56700000 -6: X=0.22140000 Y=0.08380000 Z=0.43300000 -6: X=0.77860000 Y=0.91620000 Z=0.56700000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.93290000 Y=0.54240000 Z=0.14910000 MULT= 4 ISPLIT=15 -7: X=0.06710000 Y=0.45760000 Z=0.85090000 -7: X=0.06710000 Y=0.95760000 Z=0.14910000 -7: X=0.93290000 Y=0.04240000 Z=0.85090000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.65250000 Y=0.15570000 Z=0.40400000 MULT= 4 ISPLIT=15 -8: X=0.34750000 Y=0.84430000 Z=0.59600000 -8: X=0.34750000 Y=0.34430000 Z=0.40400000 -8: X=0.65250000 Y=0.65570000 Z=0.59600000 S NPT= 781 R0=.000100000 RMT= 2.00000 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000