P LATTICE,NONEQUIV.ATOMS 8 62 Pnma MODE OF CALC=RELA unit=bohr 20.446837 7.158283 20.329674 90.000000 90.000000 90.000000 ATOM -1: X=0.08730000 Y=0.25000000 Z=0.79770000 MULT= 4 ISPLIT= 8 -1: X=0.91270000 Y=0.75000000 Z=0.20230000 -1: X=0.58730000 Y=0.25000000 Z=0.70230000 -1: X=0.41270000 Y=0.75000000 Z=0.29770000 Bi NPT= 781 R0=.000005000 RMT= 2.25 Z: 83.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.11650000 Y=0.25000000 Z=0.42860000 MULT= 4 ISPLIT= 8 -2: X=0.88350000 Y=0.75000000 Z=0.57140000 -2: X=0.61650000 Y=0.25000000 Z=0.07140000 -2: X=0.38350000 Y=0.75000000 Z=0.92860000 Bi NPT= 781 R0=.000005000 RMT= 2.25 Z: 83.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.18750000 Y=0.25000000 Z=0.12440000 MULT= 4 ISPLIT= 8 -3: X=0.81250000 Y=0.75000000 Z=0.87560000 -3: X=0.68750000 Y=0.25000000 Z=0.37560000 -3: X=0.31250000 Y=0.75000000 Z=0.62440000 Ge NPT= 781 R0=.000050000 RMT= 1.65 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.29100000 Y=0.25000000 Z=0.24700000 MULT= 4 ISPLIT= 8 -4: X=0.70900000 Y=0.75000000 Z=0.75300000 -4: X=0.79100000 Y=0.25000000 Z=0.25300000 -4: X=0.20900000 Y=0.75000000 Z=0.74700000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.01000000 Y=0.25000000 Z=0.61100000 MULT= 4 ISPLIT= 8 -5: X=0.99000000 Y=0.75000000 Z=0.38900000 -5: X=0.51000000 Y=0.25000000 Z=0.88900000 -5: X=0.49000000 Y=0.75000000 Z=0.11100000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.74900000 Y=0.25000000 Z=0.51800000 MULT= 4 ISPLIT= 8 -6: X=0.25100000 Y=0.75000000 Z=0.48200000 -6: X=0.24900000 Y=0.25000000 Z=0.98200000 -6: X=0.75100000 Y=0.75000000 Z=0.01800000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.03400000 Y=0.25000000 Z=0.16100000 MULT= 4 ISPLIT= 8 -7: X=0.96600000 Y=0.75000000 Z=0.83900000 -7: X=0.53400000 Y=0.25000000 Z=0.33900000 -7: X=0.46600000 Y=0.75000000 Z=0.66100000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.30200000 Y=0.25000000 Z=0.60000000 MULT= 4 ISPLIT= 8 -8: X=0.69800000 Y=0.75000000 Z=0.40000000 -8: X=0.80200000 Y=0.25000000 Z=0.90000000 -8: X=0.19800000 Y=0.75000000 Z=0.10000000 O NPT= 781 R0=.000100000 RMT= 1.49 Z: 8.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000