CXZ LATTICE,NONEQUIV.ATOMS 10 12 B2/m MODE OF CALC=RELA unit=bohr 45.844567 10.287102 7.654525 90.000000 90.000000 77.310000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 1 ISPLIT= 8 Ga NPT= 781 R0=.000050000 RMT= 2.27 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.89240000 Y=0.14500000 Z=0.00000000 MULT= 2 ISPLIT= 8 -2: X=0.10760000 Y=0.85500000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.27 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.67720000 Y=0.18100000 Z=0.00000000 MULT= 2 ISPLIT= 8 -3: X=0.32280000 Y=0.81900000 Z=0.00000000 Ga NPT= 781 R0=.000050000 RMT= 2.27 Z: 31.00000 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 Pd NPT= 781 R0=.000010000 RMT= 2.39 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.88770000 Y=0.62780000 Z=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.11230000 Y=0.37220000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.39 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.78660000 Y=0.09530000 Z=0.00000000 MULT= 2 ISPLIT= 8 -6: X=0.21340000 Y=0.90470000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.39 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.77510000 Y=0.60890000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.22490000 Y=0.39110000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.39 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.33990000 Y=0.32700000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.66010000 Y=0.67300000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.39 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.56920000 Y=0.13330000 Z=0.00000000 MULT= 2 ISPLIT= 8 -9: X=0.43080000 Y=0.86670000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.39 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.45410000 Y=0.34520000 Z=0.00000000 MULT= 2 ISPLIT= 8 -10: X=0.54590000 Y=0.65480000 Z=0.00000000 Pd NPT= 781 R0=.000010000 RMT= 2.39 Z: 46.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000