CYZ LATTICE,NONEQUIV.ATOMS 17 38 Amm2 MODE OF CALC=RELA unit=bohr 27.374573 37.206818 9.901598 90.000000 90.000000 90.000000 ATOM -1: X=0.17060000 Y=0.36880000 Z=0.01200000 MULT= 4 ISPLIT=15 -1: X=0.82940000 Y=0.63120000 Z=0.01200000 -1: X=0.82940000 Y=0.36880000 Z=0.01200000 -1: X=0.17060000 Y=0.63120000 Z=0.01200000 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 -2: X=0.32410000 Y=0.14250000 Z=0.00300000 MULT= 4 ISPLIT=15 -2: X=0.67590000 Y=0.85750000 Z=0.00300000 -2: X=0.67590000 Y=0.14250000 Z=0.00300000 -2: X=0.32410000 Y=0.85750000 Z=0.00300000 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 -3: X=0.38770000 Y=0.29510000 Z=0.01420000 MULT= 4 ISPLIT=15 -3: X=0.61230000 Y=0.70490000 Z=0.01420000 -3: X=0.61230000 Y=0.29510000 Z=0.01420000 -3: X=0.38770000 Y=0.70490000 Z=0.01420000 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 -4: X=0.12210000 Y=0.20080000 Z=0.00780000 MULT= 4 ISPLIT=15 -4: X=0.87790000 Y=0.79920000 Z=0.00780000 -4: X=0.87790000 Y=0.20080000 Z=0.00780000 -4: X=0.12210000 Y=0.79920000 Z=0.00780000 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=0.00000000 Y=0.41520000 Z=0.24660000 MULT= 2 ISPLIT=15 -5: X=0.00000000 Y=0.58480000 Z=0.24660000 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 -6: X=0.50000000 Y=0.10440000 Z=0.25560000 MULT= 2 ISPLIT=15 -6: X=0.50000000 Y=0.89560000 Z=0.25560000 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 -7: X=0.26530000 Y=0.00000000 Z=0.78900000 MULT= 2 ISPLIT=15 -7: X=0.73470000 Y=0.00000000 Z=0.78900000 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 -8: X=0.21650000 Y=0.00000000 Z=0.28250000 MULT= 2 ISPLIT=15 -8: X=0.78350000 Y=0.00000000 Z=0.28250000 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 -9: X=0.37330000 Y=0.07520000 Z=0.49970000 MULT= 4 ISPLIT=15 -9: X=0.62670000 Y=0.92480000 Z=0.49970000 -9: X=0.62670000 Y=0.07520000 Z=0.49970000 -9: X=0.37330000 Y=0.92480000 Z=0.49970000 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=0.15680000 Y=0.08740000 Z=0.00360000 MULT= 4 ISPLIT=15 -10: X=0.84320000 Y=0.91260000 Z=0.00360000 -10: X=0.84320000 Y=0.08740000 Z=0.00360000 -10: X=0.15680000 Y=0.91260000 Z=0.00360000 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 -11: X=0.26880000 Y=0.24300000 Z=0.26350000 MULT= 4 ISPLIT=15 -11: X=0.73120000 Y=0.75700000 Z=0.26350000 -11: X=0.73120000 Y=0.24300000 Z=0.26350000 -11: X=0.26880000 Y=0.75700000 Z=0.26350000 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 -12: X=0.00000000 Y=0.14560000 Z=0.28310000 MULT= 2 ISPLIT=15 -12: X=0.00000000 Y=0.85440000 Z=0.28310000 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 -13: X=0.50000000 Y=0.36910000 Z=0.20990000 MULT= 2 ISPLIT=15 -13: X=0.50000000 Y=0.63090000 Z=0.20990000 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 -14: X=0.00000000 Y=0.29430000 Z=0.13510000 MULT= 2 ISPLIT=15 -14: X=0.00000000 Y=0.70570000 Z=0.13510000 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 -15: X=0.50000000 Y=0.22090000 Z=0.16580000 MULT= 2 ISPLIT=15 -15: X=0.50000000 Y=0.77910000 Z=0.16580000 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 -16: X=0.11160000 Y=0.00000000 Z=0.66140000 MULT= 2 ISPLIT=15 -16: X=0.88840000 Y=0.00000000 Z=0.66140000 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 -17: X=0.38960000 Y=0.00000000 Z=0.08850000 MULT= 2 ISPLIT=15 -17: X=0.61040000 Y=0.00000000 Z=0.08850000 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