B LATTICE,NONEQUIV.ATOMS 10 44 Imm2 MODE OF CALC=RELA unit=bohr 8.260371 39.546299 14.295778 90.000000 90.000000 90.000000 ATOM -1: X=0.00000000 Y=0.00000000 Z=0.52930000 MULT= 1 ISPLIT= 8 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 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=0.33350000 Z=0.53300000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.66650000 Z=0.53300000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -3: X=0.00000000 Y=0.50000000 Z=0.44980000 MULT= 1 ISPLIT= 8 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 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=0.16710000 Z=0.45450000 MULT= 2 ISPLIT= 8 -4: X=0.00000000 Y=0.83290000 Z=0.45450000 Y NPT= 781 R0=.000010000 RMT= 2.50000 Z: 39.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -5: X=0.00000000 Y=0.10439000 Z=0.82900000 MULT= 2 ISPLIT= 8 -5: X=0.00000000 Y=0.89561000 Z=0.82900000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -6: X=0.00000000 Y=0.26709000 Z=0.16670000 MULT= 2 ISPLIT= 8 -6: X=0.00000000 Y=0.73291000 Z=0.16670000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -7: X=0.00000000 Y=0.42818000 Z=0.82210000 MULT= 2 ISPLIT= 8 -7: X=0.00000000 Y=0.57182000 Z=0.82210000 Pd NPT= 781 R0=.000010000 RMT= 2.42 Z: 46.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -8: X=0.00000000 Y=0.06630000 Z=0.15890000 MULT= 2 ISPLIT= 8 -8: X=0.00000000 Y=0.93370000 Z=0.15890000 Ge NPT= 781 R0=.000050000 RMT= 2.30 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -9: X=0.00000000 Y=0.23380000 Z=0.84040000 MULT= 2 ISPLIT= 8 -9: X=0.00000000 Y=0.76620000 Z=0.84040000 Ge NPT= 781 R0=.000050000 RMT= 2.30 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM -10: X=0.00000000 Y=0.40570000 Z=0.15520000 MULT= 2 ISPLIT= 8 -10: X=0.00000000 Y=0.59430000 Z=0.15520000 Ge NPT= 781 R0=.000050000 RMT= 2.30 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000