P LATTICE,NONEQUIV.ATOMS 10 11 P21/m MODE OF CALC=RELA unit=bohr 24.054324 20.518646 12.264323 90.000000 90.000000101.120000 ATOM -1: X=0.36607000 Y=0.09646000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.63393000 Y=0.90354000 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=0.67546000 Y=0.12169000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.32454000 Y=0.87831000 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=0.01993000 Y=0.13207000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.98007000 Y=0.86793000 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=0.55181000 Y=0.44758000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.44819000 Y=0.55242000 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=0.92224000 Y=0.45835000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.07776000 Y=0.54165000 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=0.78228000 Y=0.75499000 Z=0.25000000 MULT= 2 ISPLIT= 8 -6: X=0.21772000 Y=0.24501000 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=0.27893000 Y=0.67617000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.72107000 Y=0.32383000 Z=0.75000000 Ga NPT= 781 R0=.000050000 RMT= 2.39 Z: 31.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -8: X=0.23200000 Y=0.43151000 Z=0.25000000 MULT= 2 ISPLIT= 8 -8: X=0.76800000 Y=0.56849000 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=0.48216000 Y=0.78749000 Z=0.25000000 MULT= 2 ISPLIT= 8 -9: X=0.51784000 Y=0.21251000 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=0.12500000 Y=0.81282000 Z=0.25000000 MULT= 2 ISPLIT= 8 -10: X=0.87500000 Y=0.18718000 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