B LATTICE,NONEQUIV.ATOMS 15 71 Immm MODE OF CALC=RELA unit=bohr 8.549877 13.215233100.236743 90.000000 90.000000 90.000000 ATOM -1: X=0.50000000 Y=0.00000000 Z=0.10264000 MULT= 2 ISPLIT=15 -1: X=0.50000000 Y=0.00000000 Z=0.89736000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.50000000 Y=0.00000000 Z=0.17875000 MULT= 2 ISPLIT=15 -2: X=0.50000000 Y=0.00000000 Z=0.82125000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.50000000 Y=0.00000000 Z=0.46266000 MULT= 2 ISPLIT=15 -3: X=0.50000000 Y=0.00000000 Z=0.53734000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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=0.28236000 MULT= 2 ISPLIT=15 -4: X=0.00000000 Y=0.00000000 Z=0.71764000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 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=0.00000000 Z=0.35838000 MULT= 2 ISPLIT=15 -5: X=0.00000000 Y=0.00000000 Z=0.64162000 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT=15 La NPT= 781 R0=.000010000 RMT= 2.00000 Z: 57.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.00000000 Y=0.17972000 Z=0.13859000 MULT= 4 ISPLIT=15 -7: X=0.00000000 Y=0.82028000 Z=0.86141000 -7: X=0.00000000 Y=0.17972000 Z=0.86141000 -7: X=0.00000000 Y=0.82028000 Z=0.13859000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.00000000 Y=0.32021000 Z=0.18197000 MULT= 4 ISPLIT=15 -8: X=0.00000000 Y=0.67979000 Z=0.81803000 -8: X=0.00000000 Y=0.32021000 Z=0.81803000 -8: X=0.00000000 Y=0.67979000 Z=0.18197000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.50000000 Y=0.00000000 Z=0.23913000 MULT= 2 ISPLIT=15 -9: X=0.50000000 Y=0.00000000 Z=0.76087000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.00000000 Y=0.00000000 Z=0.06027000 MULT= 2 ISPLIT=15 -10: X=0.00000000 Y=0.00000000 Z=0.93973000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -11: X=0.00000000 Y=0.00000000 Z=0.41845000 MULT= 2 ISPLIT=15 -11: X=0.00000000 Y=0.00000000 Z=0.58155000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 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=0.18162000 Z=0.50000000 MULT= 2 ISPLIT=15 -12: X=0.00000000 Y=0.81838000 Z=0.50000000 Ge NPT= 781 R0=.000050000 RMT= 2.00000 Z: 32.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -13: X=0.00000000 Y=0.18750000 Z=0.22788000 MULT= 4 ISPLIT=15 -13: X=0.00000000 Y=0.81250000 Z=0.77212000 -13: X=0.00000000 Y=0.18750000 Z=0.77212000 -13: X=0.00000000 Y=0.81250000 Z=0.22788000 Li NPT= 781 R0=.000100000 RMT= 2.00000 Z: 3.00000 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=0.31320000 Z=0.09225000 MULT= 4 ISPLIT=15 -14: X=0.00000000 Y=0.68680000 Z=0.90775000 -14: X=0.00000000 Y=0.31320000 Z=0.90775000 -14: X=0.00000000 Y=0.68680000 Z=0.09225000 Li NPT= 781 R0=.000100000 RMT= 2.00000 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -15: X=0.00000000 Y=0.30930000 Z=0.45223000 MULT= 4 ISPLIT=15 -15: X=0.00000000 Y=0.69070000 Z=0.54777000 -15: X=0.00000000 Y=0.30930000 Z=0.54777000 -15: X=0.00000000 Y=0.69070000 Z=0.45223000 Li NPT= 781 R0=.000100000 RMT= 2.00000 Z: 3.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000