P LATTICE,NONEQUIV.ATOMS 10 11 P21/m MODE OF CALC=RELA unit=bohr 24.013506 20.493324 12.296259 90.000000 90.000000100.950000 ATOM -1: X=0.67409000 Y=0.11859000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.32591000 Y=0.88141000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.01904000 Y=0.13158000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.98096000 Y=0.86842000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.92298000 Y=0.45763000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.07702000 Y=0.54237000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.78314000 Y=0.75488000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.21686000 Y=0.24512000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.55180000 Y=0.44745000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.44820000 Y=0.55255000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.36568000 Y=0.09885000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.63432000 Y=0.90115000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.27914000 Y=0.67560000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.72086000 Y=0.32440000 Z=0.75000000 Al NPT= 781 R0=.000100000 RMT= 2.27 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=0.23211000 Y=0.42987000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.76789000 Y=0.57013000 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=0.48117000 Y=0.78737000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.51883000 Y=0.21263000 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=0.12474000 Y=0.81167000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.87526000 Y=0.18833000 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