P LATTICE,NONEQUIV.ATOMS 10 62 Pnma MODE OF CALC=RELA unit=bohr 36.868557 10.144050 15.474967 90.000000 90.000000 90.000000 ATOM -1: X=0.05770000 Y=0.25000000 Z=0.61250000 MULT= 4 ISPLIT= 8 -1: X=0.94230000 Y=0.75000000 Z=0.38750000 -1: X=0.55770000 Y=0.25000000 Z=0.88750000 -1: X=0.44230000 Y=0.75000000 Z=0.11250000 Pb NPT= 781 R0=.000005000 RMT= 2.41 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.35760000 Y=0.25000000 Z=0.84000000 MULT= 4 ISPLIT= 8 -2: X=0.64240000 Y=0.75000000 Z=0.16000000 -2: X=0.85760000 Y=0.25000000 Z=0.66000000 -2: X=0.14240000 Y=0.75000000 Z=0.34000000 Pb NPT= 781 R0=.000005000 RMT= 2.41 Z: 82.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.33250000 Y=0.25000000 Z=0.25870000 MULT= 4 ISPLIT= 8 -3: X=0.66750000 Y=0.75000000 Z=0.74130000 -3: X=0.83250000 Y=0.25000000 Z=0.24130000 -3: X=0.16750000 Y=0.75000000 Z=0.75870000 As NPT= 781 R0=.000050000 RMT= 1.72 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.67850000 Y=0.25000000 Z=0.53860000 MULT= 4 ISPLIT= 8 -4: X=0.32150000 Y=0.75000000 Z=0.46140000 -4: X=0.17850000 Y=0.25000000 Z=0.96140000 -4: X=0.82150000 Y=0.75000000 Z=0.03860000 As NPT= 781 R0=.000050000 RMT= 1.72 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.04340000 Y=0.25000000 Z=0.18400000 MULT= 4 ISPLIT= 8 -5: X=0.95660000 Y=0.75000000 Z=0.81600000 -5: X=0.54340000 Y=0.25000000 Z=0.31600000 -5: X=0.45660000 Y=0.75000000 Z=0.68400000 As NPT= 781 R0=.000050000 RMT= 1.72 Z: 33.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.21420000 Y=0.25000000 Z=0.54820000 MULT= 4 ISPLIT= 8 -6: X=0.78580000 Y=0.75000000 Z=0.45180000 -6: X=0.71420000 Y=0.25000000 Z=0.95180000 -6: X=0.28580000 Y=0.75000000 Z=0.04820000 Cl NPT= 781 R0=.000100000 RMT= 2.50000 Z: 17.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.39630000 Y=0.25000000 Z=0.10960000 MULT= 4 ISPLIT= 8 -7: X=0.60370000 Y=0.75000000 Z=0.89040000 -7: X=0.89630000 Y=0.25000000 Z=0.39040000 -7: X=0.10370000 Y=0.75000000 Z=0.60960000 O NPT= 781 R0=.000100000 RMT= 1.56 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=0.13860000 Y=0.25000000 Z=0.15570000 MULT= 4 ISPLIT= 8 -8: X=0.86140000 Y=0.75000000 Z=0.84430000 -8: X=0.63860000 Y=0.25000000 Z=0.34430000 -8: X=0.36140000 Y=0.75000000 Z=0.65570000 O NPT= 781 R0=.000100000 RMT= 1.56 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 -9: X=0.37300000 Y=0.50140000 Z=0.37670000 MULT= 8 ISPLIT= 8 -9: X=0.62700000 Y=0.49860000 Z=0.62330000 -9: X=0.87300000 Y=0.50140000 Z=0.12330000 -9: X=0.12700000 Y=0.49860000 Z=0.87670000 -9: X=0.12700000 Y=0.00140000 Z=0.87670000 -9: X=0.87300000 Y=0.99860000 Z=0.12330000 -9: X=0.62700000 Y=0.00140000 Z=0.62330000 -9: X=0.37300000 Y=0.99860000 Z=0.37670000 O NPT= 781 R0=.000100000 RMT= 1.56 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.04560000 Y=0.00570000 Z=0.32710000 MULT= 8 ISPLIT= 8 -10: X=0.95440000 Y=0.99430000 Z=0.67290000 -10: X=0.54560000 Y=0.00570000 Z=0.17290000 -10: X=0.45440000 Y=0.99430000 Z=0.82710000 -10: X=0.45440000 Y=0.50570000 Z=0.82710000 -10: X=0.54560000 Y=0.49430000 Z=0.17290000 -10: X=0.95440000 Y=0.50570000 Z=0.67290000 -10: X=0.04560000 Y=0.49430000 Z=0.32710000 O NPT= 781 R0=.000100000 RMT= 1.56 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000