P LATTICE,NONEQUIV.ATOMS 10 55 Pbam MODE OF CALC=RELA unit=bohr 17.493195 19.466069 11.251429 90.000000 90.000000 90.000000 ATOM -1: X=0.12600000 Y=0.42320000 Z=0.26800000 MULT= 8 ISPLIT= 8 -1: X=0.87400000 Y=0.57680000 Z=0.73200000 -1: X=0.12600000 Y=0.42320000 Z=0.73200000 -1: X=0.87400000 Y=0.57680000 Z=0.26800000 -1: X=0.37400000 Y=0.92320000 Z=0.26800000 -1: X=0.62600000 Y=0.07680000 Z=0.73200000 -1: X=0.37400000 Y=0.92320000 Z=0.73200000 -1: X=0.62600000 Y=0.07680000 Z=0.26800000 Nb NPT= 781 R0=.000010000 RMT= 1.94 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.37930000 Y=0.16500000 Z=0.50000000 MULT= 4 ISPLIT= 8 -2: X=0.62070000 Y=0.83500000 Z=0.50000000 -2: X=0.12070000 Y=0.66500000 Z=0.50000000 -2: X=0.87930000 Y=0.33500000 Z=0.50000000 Nb NPT= 781 R0=.000010000 RMT= 1.94 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.11590000 Y=0.16310000 Z=0.00000000 MULT= 4 ISPLIT= 8 -3: X=0.88410000 Y=0.83690000 Z=0.00000000 -3: X=0.38410000 Y=0.66310000 Z=0.00000000 -3: X=0.61590000 Y=0.33690000 Z=0.00000000 Nb NPT= 781 R0=.000010000 RMT= 1.94 Z: 41.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.00000000 Y=0.00000000 Z=0.50000000 MULT= 2 ISPLIT= 8 -4: X=0.50000000 Y=0.50000000 Z=0.50000000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.23610000 Y=0.32100000 Z=0.00000000 MULT= 4 ISPLIT= 8 -5: X=0.76390000 Y=0.67900000 Z=0.00000000 -5: X=0.26390000 Y=0.82100000 Z=0.00000000 -5: X=0.73610000 Y=0.17900000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.76 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=0.26280000 Y=0.34800000 Z=0.50000000 MULT= 4 ISPLIT= 8 -6: X=0.73720000 Y=0.65200000 Z=0.50000000 -6: X=0.23720000 Y=0.84800000 Z=0.50000000 -6: X=0.76280000 Y=0.15200000 Z=0.50000000 O NPT= 781 R0=.000100000 RMT= 1.76 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=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -7: X=0.50000000 Y=0.00000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.76 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -8: X=0.50000000 Y=0.50000000 Z=0.00000000 O NPT= 781 R0=.000100000 RMT= 1.76 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=0.23930000 Y=0.08670000 Z=0.25310000 MULT= 8 ISPLIT= 8 -9: X=0.76070000 Y=0.91330000 Z=0.74690000 -9: X=0.23930000 Y=0.08670000 Z=0.74690000 -9: X=0.76070000 Y=0.91330000 Z=0.25310000 -9: X=0.26070000 Y=0.58670000 Z=0.25310000 -9: X=0.73930000 Y=0.41330000 Z=0.74690000 -9: X=0.26070000 Y=0.58670000 Z=0.74690000 -9: X=0.73930000 Y=0.41330000 Z=0.25310000 O NPT= 781 R0=.000100000 RMT= 1.76 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=0.00530000 Y=0.24630000 Z=0.25280000 MULT= 8 ISPLIT= 8 -10: X=0.99470000 Y=0.75370000 Z=0.74720000 -10: X=0.00530000 Y=0.24630000 Z=0.74720000 -10: X=0.99470000 Y=0.75370000 Z=0.25280000 -10: X=0.49470000 Y=0.74630000 Z=0.25280000 -10: X=0.50530000 Y=0.25370000 Z=0.74720000 -10: X=0.49470000 Y=0.74630000 Z=0.74720000 -10: X=0.50530000 Y=0.25370000 Z=0.25280000 O NPT= 781 R0=.000100000 RMT= 1.76 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000