CXZ LATTICE,NONEQUIV.ATOMS 11 12 B2/m MODE OF CALC=RELA unit=bohr 28.818324 17.317450 7.122378 90.000000 90.000000 80.850000 ATOM -1: X=0.54270000 Y=0.25330000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.45730000 Y=0.74670000 Z=0.00000000 Sr NPT= 781 R0=.000010000 RMT= 2.41 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 -2: X=0.88580000 Y=0.09740000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.11420000 Y=0.90260000 Z=0.00000000 Ti NPT= 781 R0=.000050000 RMT= 1.77 Z: 22.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.83180000 Y=0.43660000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.16820000 Y=0.56340000 Z=0.00000000 Ti NPT= 781 R0=.000050000 RMT= 1.77 Z: 22.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.22960000 Y=0.22770000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.77040000 Y=0.77230000 Z=0.00000000 Ti NPT= 781 R0=.000050000 RMT= 1.77 Z: 22.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 O NPT= 781 R0=.000100000 RMT= 1.60 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=0.76200000 Y=0.24300000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.23800000 Y=0.75700000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 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=0.92700000 Y=0.29400000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.07300000 Y=0.70600000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 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=0.70400000 Y=0.57200000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.29600000 Y=0.42800000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 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=0.87200000 Y=0.61600000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.12800000 Y=0.38400000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 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=0.35900000 Y=0.11500000 Z=0.00000000 MULT= 2 ISPLIT= 8 -10: X=0.64100000 Y=0.88500000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 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=0.15800000 Y=0.08600000 Z=0.00000000 MULT= 2 ISPLIT= 8 -11: X=0.84200000 Y=0.91400000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.60 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000