P LATTICE,NONEQUIV.ATOMS 10 62 Pnma MODE OF CALC=RELA unit=bohr 78.074035 9.047820 12.071760 90.000000 90.000000 90.000000 ATOM -1: X=0.00693000 Y=0.25000000 Z=0.62287000 MULT= 4 ISPLIT= 8 -1: X=0.99307000 Y=0.75000000 Z=0.37713000 -1: X=0.50693000 Y=0.25000000 Z=0.87713000 -1: X=0.49307000 Y=0.75000000 Z=0.12287000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -2: X=0.20709000 Y=0.25000000 Z=0.11694000 MULT= 4 ISPLIT= 8 -2: X=0.79291000 Y=0.75000000 Z=0.88306000 -2: X=0.70709000 Y=0.25000000 Z=0.38306000 -2: X=0.29291000 Y=0.75000000 Z=0.61694000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -3: X=0.30692000 Y=0.25000000 Z=0.86268000 MULT= 4 ISPLIT= 8 -3: X=0.69308000 Y=0.75000000 Z=0.13732000 -3: X=0.80692000 Y=0.25000000 Z=0.63732000 -3: X=0.19308000 Y=0.75000000 Z=0.36268000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -4: X=0.40710000 Y=0.25000000 Z=0.62348000 MULT= 4 ISPLIT= 8 -4: X=0.59290000 Y=0.75000000 Z=0.37652000 -4: X=0.90710000 Y=0.25000000 Z=0.87652000 -4: X=0.09290000 Y=0.75000000 Z=0.12348000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.60686000 Y=0.25000000 Z=0.62270000 MULT= 4 ISPLIT= 8 -5: X=0.39314000 Y=0.75000000 Z=0.37730000 -5: X=0.10686000 Y=0.25000000 Z=0.87730000 -5: X=0.89314000 Y=0.75000000 Z=0.12270000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.23587000 Y=0.25000000 Z=0.60730000 MULT= 4 ISPLIT= 8 -6: X=0.76413000 Y=0.75000000 Z=0.39270000 -6: X=0.73587000 Y=0.25000000 Z=0.89270000 -6: X=0.26413000 Y=0.75000000 Z=0.10730000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.13608000 Y=0.25000000 Z=0.36670000 MULT= 4 ISPLIT= 8 -7: X=0.86392000 Y=0.75000000 Z=0.63330000 -7: X=0.63608000 Y=0.25000000 Z=0.13330000 -7: X=0.36392000 Y=0.75000000 Z=0.86670000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.03594000 Y=0.25000000 Z=0.13270000 MULT= 4 ISPLIT= 8 -8: X=0.96406000 Y=0.75000000 Z=0.86730000 -8: X=0.53594000 Y=0.25000000 Z=0.36730000 -8: X=0.46406000 Y=0.75000000 Z=0.63270000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.33608000 Y=0.25000000 Z=0.37320000 MULT= 4 ISPLIT= 8 -9: X=0.66392000 Y=0.75000000 Z=0.62680000 -9: X=0.83608000 Y=0.25000000 Z=0.12680000 -9: X=0.16392000 Y=0.75000000 Z=0.87320000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -10: X=0.43600000 Y=0.25000000 Z=0.13290000 MULT= 4 ISPLIT= 8 -10: X=0.56400000 Y=0.75000000 Z=0.86710000 -10: X=0.93600000 Y=0.25000000 Z=0.36710000 -10: X=0.06400000 Y=0.75000000 Z=0.63290000 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000