CXZ LATTICE,NONEQUIV.ATOMS 12 12 B2/m MODE OF CALC=RELA unit=bohr 29.581773 27.582443 6.653537 90.000000 90.000000 75.570000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 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=0.00000000 Z=0.50000000 MULT= 1 ISPLIT= 8 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.56950000 Y=0.32900000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.43050000 Y=0.67100000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.19720000 Y=0.18760000 Z=0.00000000 MULT= 2 ISPLIT= 8 -4: X=0.80280000 Y=0.81240000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.79450000 Y=0.29720000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.20550000 Y=0.70280000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.66090000 Y=0.52910000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.33910000 Y=0.47090000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.99620000 Y=0.16950000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.00380000 Y=0.83050000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.82440000 Y=0.03940000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.17560000 Y=0.96060000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 2.50000 Z: 72.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.82500000 Y=0.60730000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.17500000 Y=0.39270000 Z=0.00000000 P NPT= 781 R0=.000100000 RMT= 2.11 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.62600000 Y=0.10000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -10: X=0.37400000 Y=0.90000000 Z=0.00000000 P NPT= 781 R0=.000100000 RMT= 2.11 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.36890000 Y=0.16100000 Z=0.00000000 MULT= 2 ISPLIT= 8 -11: X=0.63110000 Y=0.83900000 Z=0.00000000 P NPT= 781 R0=.000100000 RMT= 2.11 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -12: X=0.93740000 Y=0.35300000 Z=0.00000000 MULT= 2 ISPLIT= 8 -12: X=0.06260000 Y=0.64700000 Z=0.00000000 P NPT= 781 R0=.000100000 RMT= 2.11 Z: 15.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000