CXZ LATTICE,NONEQUIV.ATOMS 13 5 B2 MODE OF CALC=RELA unit=bohr 35.583543 14.573568 10.854587 90.000000 90.000000 69.280000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Pt NPT= 781 R0=.000005000 RMT= 2.09 Z: 78.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.52220000 Y=0.20140000 Z=0.00040000 MULT= 2 ISPLIT= 8 -2: X=0.47780000 Y=0.79860000 Z=0.00040000 Sr NPT= 781 R0=.000010000 RMT= 2.27 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.66710000 Y=0.00210000 Z=0.50020000 MULT= 2 ISPLIT= 8 -3: X=0.33290000 Y=0.99790000 Z=0.50020000 Sr NPT= 781 R0=.000010000 RMT= 2.27 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.90590000 Y=0.46150000 Z=0.00090000 MULT= 2 ISPLIT= 8 -4: X=0.09410000 Y=0.53850000 Z=0.00090000 Sr NPT= 781 R0=.000010000 RMT= 2.27 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.81480000 Y=0.28680000 Z=0.49970000 MULT= 2 ISPLIT= 8 -5: X=0.18520000 Y=0.71320000 Z=0.49970000 Sr NPT= 781 R0=.000010000 RMT= 2.27 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.82790000 Y=0.70610000 Z=0.49420000 MULT= 2 ISPLIT= 8 -6: X=0.17210000 Y=0.29390000 Z=0.49420000 Si NPT= 781 R0=.000100000 RMT= 1.39 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=0.91920000 Y=0.13980000 Z=0.23250000 MULT= 2 ISPLIT= 8 -7: X=0.08080000 Y=0.86020000 Z=0.23250000 O NPT= 781 R0=.000100000 RMT= 1.62 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=0.42140000 Y=0.14130000 Z=0.25620000 MULT= 2 ISPLIT= 8 -8: X=0.57860000 Y=0.85870000 Z=0.25620000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -9: X=0.53760000 Y=0.24100000 Z=0.49490000 MULT= 2 ISPLIT= 8 -9: X=0.46240000 Y=0.75900000 Z=0.49490000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -10: X=0.58830000 Y=0.46080000 Z=0.00530000 MULT= 2 ISPLIT= 8 -10: X=0.41170000 Y=0.53920000 Z=0.00530000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -11: X=0.67420000 Y=0.07380000 Z=0.05360000 MULT= 2 ISPLIT= 8 -11: X=0.32580000 Y=0.92620000 Z=0.05360000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -12: X=0.72990000 Y=0.35540000 Z=0.14900000 MULT= 2 ISPLIT= 8 -12: X=0.27010000 Y=0.64460000 Z=0.14900000 O NPT= 781 R0=.000100000 RMT= 1.62 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 -13: X=0.79920000 Y=0.71560000 Z=0.21280000 MULT= 2 ISPLIT= 8 -13: X=0.20080000 Y=0.28440000 Z=0.21280000 O NPT= 781 R0=.000100000 RMT= 1.62 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000