P LATTICE,NONEQUIV.ATOMS 14 7 Pb MODE OF CALC=RELA unit=bohr 24.380491 14.084129 13.988887 90.000000 90.000000125.218000 ATOM -1: X=0.20100000 Y=0.78500000 Z=0.52600000 MULT= 2 ISPLIT= 8 -1: X=0.20100000 Y=0.28500000 Z=0.47400000 Ag NPT= 781 R0=.000010000 RMT= 1.43 Z: 47.00000 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=0.00000000 Z=0.57400000 MULT= 2 ISPLIT= 8 -2: X=0.00000000 Y=0.50000000 Z=0.42600000 Ag NPT= 781 R0=.000010000 RMT= 1.43 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.53900000 Y=0.62900000 Z=0.14700000 MULT= 2 ISPLIT= 8 -3: X=0.53900000 Y=0.12900000 Z=0.85300000 Ag NPT= 781 R0=.000010000 RMT= 1.43 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.42600000 Y=0.00800000 Z=0.01100000 MULT= 2 ISPLIT= 8 -4: X=0.42600000 Y=0.50800000 Z=0.98900000 Ag NPT= 781 R0=.000010000 RMT= 1.43 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.39900000 Y=0.27100000 Z=0.61900000 MULT= 2 ISPLIT= 8 -5: X=0.39900000 Y=0.77100000 Z=0.38100000 Ag NPT= 781 R0=.000010000 RMT= 1.43 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.24100000 Y=0.10500000 Z=0.06700000 MULT= 2 ISPLIT= 8 -6: X=0.24100000 Y=0.60500000 Z=0.93300000 Ag NPT= 781 R0=.000010000 RMT= 1.43 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.66200000 Y=0.40700000 Z=0.20900000 MULT= 2 ISPLIT= 8 -7: X=0.66200000 Y=0.90700000 Z=0.79100000 Ag NPT= 781 R0=.000010000 RMT= 1.43 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.19100000 Y=0.48200000 Z=0.24600000 MULT= 2 ISPLIT= 8 -8: X=0.19100000 Y=0.98200000 Z=0.75400000 Ta NPT= 781 R0=.000005000 RMT= 2.15 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.05700000 Y=0.10500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.05700000 Y=0.60500000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.17 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=0.09000000 Y=0.66500000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.09000000 Y=0.16500000 Z=0.75000000 S NPT= 781 R0=.000100000 RMT= 1.17 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 -11: X=0.32500000 Y=0.57600000 Z=0.50200000 MULT= 2 ISPLIT= 8 -11: X=0.32500000 Y=0.07600000 Z=0.49800000 S NPT= 781 R0=.000100000 RMT= 1.17 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 -12: X=0.34400000 Y=0.61500000 Z=0.00300000 MULT= 2 ISPLIT= 8 -12: X=0.34400000 Y=0.11500000 Z=0.99700000 S NPT= 781 R0=.000100000 RMT= 1.17 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 -13: X=0.42100000 Y=0.24200000 Z=0.26000000 MULT= 2 ISPLIT= 8 -13: X=0.42100000 Y=0.74200000 Z=0.74000000 S NPT= 781 R0=.000100000 RMT= 1.17 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 -14: X=0.68100000 Y=0.01200000 Z=0.24000000 MULT= 2 ISPLIT= 8 -14: X=0.68100000 Y=0.51200000 Z=0.76000000 S NPT= 781 R0=.000100000 RMT= 1.17 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000