P LATTICE,NONEQUIV.ATOMS 7 11 P21/m MODE OF CALC=RELA unit=bohr 12.731085 9.194840 13.662342 90.000000 90.000000 93.932000 ATOM -1: X=0.81424000 Y=0.01465000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.18576000 Y=0.98535000 Z=0.75000000 Pb NPT= 781 R0=.000005000 RMT= 2.46 Z: 82.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.28270000 Y=0.46429000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.71730000 Y=0.53571000 Z=0.75000000 Ta NPT= 781 R0=.000005000 RMT= 1.84 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.01270000 Y=0.59660000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.98730000 Y=0.40340000 Z=0.75000000 F NPT= 781 R0=.000100000 RMT= 1.67 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.28900000 Y=0.67240000 Z=0.03260000 MULT= 4 ISPLIT= 8 -4: X=0.71100000 Y=0.32760000 Z=0.96740000 -4: X=0.71100000 Y=0.32760000 Z=0.53260000 -4: X=0.28900000 Y=0.67240000 Z=0.46740000 F NPT= 781 R0=.000100000 RMT= 1.67 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.45170000 Y=0.17210000 Z=0.25000000 MULT= 2 ISPLIT= 8 -5: X=0.54830000 Y=0.82790000 Z=0.75000000 F NPT= 781 R0=.000100000 RMT= 1.67 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.14120000 Y=0.19980000 Z=0.07890000 MULT= 4 ISPLIT= 8 -6: X=0.85880000 Y=0.80020000 Z=0.92110000 -6: X=0.85880000 Y=0.80020000 Z=0.57890000 -6: X=0.14120000 Y=0.19980000 Z=0.42110000 F NPT= 781 R0=.000100000 RMT= 1.67 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -7: X=0.54990000 Y=0.64630000 Z=0.25000000 MULT= 2 ISPLIT= 8 -7: X=0.45010000 Y=0.35370000 Z=0.75000000 F NPT= 781 R0=.000100000 RMT= 1.67 Z: 9.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000