P LATTICE,NONEQUIV.ATOMS 10 58 Pnnm MODE OF CALC=RELA unit=bohr 24.381247 34.918360 7.863150 90.000000 90.000000 90.000000 ATOM -1: X=0.05300000 Y=0.34400000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.94700000 Y=0.65600000 Z=0.00000000 -1: X=0.44700000 Y=0.84400000 Z=0.50000000 -1: X=0.55300000 Y=0.15600000 Z=0.50000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.26800000 Y=0.69700000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.73200000 Y=0.30300000 Z=0.00000000 -2: X=0.23200000 Y=0.19700000 Z=0.50000000 -2: X=0.76800000 Y=0.80300000 Z=0.50000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.33800000 Y=0.02400000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.66200000 Y=0.97600000 Z=0.00000000 -3: X=0.16200000 Y=0.52400000 Z=0.50000000 -3: X=0.83800000 Y=0.47600000 Z=0.50000000 Bi NPT= 781 R0=.000005000 RMT= 2.50000 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.41600000 Y=0.38000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.58400000 Y=0.62000000 Z=0.00000000 -4: X=0.08400000 Y=0.88000000 Z=0.50000000 -4: X=0.91600000 Y=0.12000000 Z=0.50000000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 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=0.00000000 MULT= 2 ISPLIT= 8 -5: X=0.50000000 Y=0.00000000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.24 Z: 16.00000 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= 2 ISPLIT= 8 -6: X=0.50000000 Y=0.50000000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.24 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.29600000 Y=0.55000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.70400000 Y=0.45000000 Z=0.00000000 -7: X=0.20400000 Y=0.05000000 Z=0.50000000 -7: X=0.79600000 Y=0.95000000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.24 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.69700000 Y=0.12800000 Z=0.00000000 MULT= 4 ISPLIT= 8 -8: X=0.30300000 Y=0.87200000 Z=0.00000000 -8: X=0.80300000 Y=0.62800000 Z=0.50000000 -8: X=0.19700000 Y=0.37200000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.24 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.39000000 Y=0.18000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -9: X=0.61000000 Y=0.82000000 Z=0.00000000 -9: X=0.11000000 Y=0.68000000 Z=0.50000000 -9: X=0.89000000 Y=0.32000000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.24 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.09100000 Y=0.19900000 Z=0.00000000 MULT= 4 ISPLIT= 8 -10: X=0.90900000 Y=0.80100000 Z=0.00000000 -10: X=0.40900000 Y=0.69900000 Z=0.50000000 -10: X=0.59100000 Y=0.30100000 Z=0.50000000 S NPT= 781 R0=.000100000 RMT= 2.24 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000