CXZ LATTICE,NONEQUIV.ATOMS 9 12 B2/m MODE OF CALC=RELA unit=bohr 17.478077 17.145485 12.634709 90.000000 90.000000 89.700000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 1 ISPLIT= 8 Ag NPT= 781 R0=.000010000 RMT= 1.96 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.68920000 Y=0.60250000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.31080000 Y=0.39750000 Z=0.00000000 Ag NPT= 781 R0=.000010000 RMT= 1.96 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.90730000 Y=0.21570000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.09270000 Y=0.78430000 Z=0.00000000 Hf NPT= 781 R0=.000005000 RMT= 1.89 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 8 F NPT= 781 R0=.000100000 RMT= 1.71 Z: 9.00000 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=0.50000000 Z=0.50000000 MULT= 1 ISPLIT= 8 F NPT= 781 R0=.000100000 RMT= 1.71 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.89020000 Y=0.70440000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.10980000 Y=0.29560000 Z=0.00000000 F NPT= 781 R0=.000100000 RMT= 1.71 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.72380000 Y=0.11930000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.27620000 Y=0.88070000 Z=0.00000000 F NPT= 781 R0=.000100000 RMT= 1.71 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.82620000 Y=0.38570000 Z=0.17950000 MULT= 4 ISPLIT= 8 -8: X=0.17380000 Y=0.61430000 Z=0.82050000 -8: X=0.17380000 Y=0.61430000 Z=0.17950000 -8: X=0.82620000 Y=0.38570000 Z=0.82050000 F NPT= 781 R0=.000100000 RMT= 1.71 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.93720000 Y=0.15980000 Z=0.29530000 MULT= 4 ISPLIT= 8 -9: X=0.06280000 Y=0.84020000 Z=0.70470000 -9: X=0.06280000 Y=0.84020000 Z=0.29530000 -9: X=0.93720000 Y=0.15980000 Z=0.70470000 F NPT= 781 R0=.000100000 RMT= 1.71 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000