P LATTICE,NONEQUIV.ATOMS 11 55 Pbam MODE OF CALC=RELA unit=bohr 19.558665 26.437269 7.143165 90.000000 90.000000 90.000000 ATOM -1: X=0.03000000 Y=0.11200000 Z=0.00000000 MULT= 4 ISPLIT= 8 -1: X=0.97000000 Y=0.88800000 Z=0.00000000 -1: X=0.47000000 Y=0.61200000 Z=0.00000000 -1: X=0.53000000 Y=0.38800000 Z=0.00000000 W NPT= 781 R0=.000005000 RMT= 1.79 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.21500000 Y=0.41300000 Z=0.00000000 MULT= 4 ISPLIT= 8 -2: X=0.78500000 Y=0.58700000 Z=0.00000000 -2: X=0.28500000 Y=0.91300000 Z=0.00000000 -2: X=0.71500000 Y=0.08700000 Z=0.00000000 W NPT= 781 R0=.000005000 RMT= 1.79 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.37400000 Y=0.16700000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.62600000 Y=0.83300000 Z=0.00000000 -3: X=0.12600000 Y=0.66700000 Z=0.00000000 -3: X=0.87400000 Y=0.33300000 Z=0.00000000 W NPT= 781 R0=.000005000 RMT= 1.79 Z: 74.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.04500000 Y=0.33500000 Z=0.00000000 MULT= 4 ISPLIT= 8 -4: X=0.95500000 Y=0.66500000 Z=0.00000000 -4: X=0.45500000 Y=0.83500000 Z=0.00000000 -4: X=0.54500000 Y=0.16500000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -5: X=0.13000000 Y=0.00000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.87000000 Y=0.00000000 Z=0.00000000 -5: X=0.37000000 Y=0.50000000 Z=0.00000000 -5: X=0.63000000 Y=0.50000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -6: X=0.19200000 Y=0.18000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -6: X=0.80800000 Y=0.82000000 Z=0.00000000 -6: X=0.30800000 Y=0.68000000 Z=0.00000000 -6: X=0.69200000 Y=0.32000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -7: X=0.34300000 Y=0.31500000 Z=0.00000000 MULT= 4 ISPLIT= 8 -7: X=0.65700000 Y=0.68500000 Z=0.00000000 -7: X=0.15700000 Y=0.81500000 Z=0.00000000 -7: X=0.84300000 Y=0.18500000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -8: X=0.38600000 Y=0.03000000 Z=0.00000000 MULT= 4 ISPLIT= 8 -8: X=0.61400000 Y=0.97000000 Z=0.00000000 -8: X=0.11400000 Y=0.53000000 Z=0.00000000 -8: X=0.88600000 Y=0.47000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -9: X=0.02700000 Y=0.11200000 Z=0.50000000 MULT= 4 ISPLIT= 8 -9: X=0.97300000 Y=0.88800000 Z=0.50000000 -9: X=0.47300000 Y=0.61200000 Z=0.50000000 -9: X=0.52700000 Y=0.38800000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.54 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=0.21500000 Y=0.41300000 Z=0.50000000 MULT= 4 ISPLIT= 8 -10: X=0.78500000 Y=0.58700000 Z=0.50000000 -10: X=0.28500000 Y=0.91300000 Z=0.50000000 -10: X=0.71500000 Y=0.08700000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.54 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 -11: X=0.37400000 Y=0.16700000 Z=0.50000000 MULT= 4 ISPLIT= 8 -11: X=0.62600000 Y=0.83300000 Z=0.50000000 -11: X=0.12600000 Y=0.66700000 Z=0.50000000 -11: X=0.87400000 Y=0.33300000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.54 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000