P LATTICE,NONEQUIV.ATOMS 10 11 P21/m MODE OF CALC=RELA unit=bohr 23.389140 20.076450 11.829686 90.000000 90.000000100.700000 ATOM -1: X=0.36749000 Y=0.09456000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.63251000 Y=0.90544000 Z=0.75000000 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 -2: X=0.67241000 Y=0.11903000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.32759000 Y=0.88097000 Z=0.75000000 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 -3: X=0.02067000 Y=0.13453000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.97933000 Y=0.86547000 Z=0.75000000 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 -4: X=0.54648000 Y=0.44649000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.45352000 Y=0.55351000 Z=0.75000000 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=0.92412000 Y=0.45967000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.07588000 Y=0.54033000 Z=0.75000000 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 -6: X=0.78218000 Y=0.74878000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.21782000 Y=0.25122000 Z=0.75000000 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 -7: X=0.28013000 Y=0.67829000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.71987000 Y=0.32171000 Z=0.75000000 Al NPT= 781 R0=.000100000 RMT= 2.26 Z: 13.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.22787000 Y=0.42983000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.77213000 Y=0.57017000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -9: X=0.48724000 Y=0.78757000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.51276000 Y=0.21243000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -10: X=0.12544000 Y=0.82256000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.87456000 Y=0.17744000 Z=0.75000000 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000