P LATTICE,NONEQUIV.ATOMS 9 62 Pnma MODE OF CALC=RELA unit=bohr 40.782558 8.660048 14.918821 90.000000 90.000000 90.000000 ATOM -1: X=0.26336000 Y=0.25000000 Z=0.08770000 MULT= 4 ISPLIT= 8 -1: X=0.73664000 Y=0.75000000 Z=0.91230000 -1: X=0.76336000 Y=0.25000000 Z=0.41230000 -1: X=0.23664000 Y=0.75000000 Z=0.58770000 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=0.40425000 Y=0.25000000 Z=0.07967000 MULT= 4 ISPLIT= 8 -2: X=0.59575000 Y=0.75000000 Z=0.92033000 -2: X=0.90425000 Y=0.25000000 Z=0.42033000 -2: X=0.09575000 Y=0.75000000 Z=0.57967000 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=0.06432000 Y=0.25000000 Z=0.08235000 MULT= 4 ISPLIT= 8 -3: X=0.93568000 Y=0.75000000 Z=0.91765000 -3: X=0.56432000 Y=0.25000000 Z=0.41765000 -3: X=0.43568000 Y=0.75000000 Z=0.58235000 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=0.22801000 Y=0.25000000 Z=0.41696000 MULT= 4 ISPLIT= 8 -4: X=0.77199000 Y=0.75000000 Z=0.58304000 -4: X=0.72801000 Y=0.25000000 Z=0.08304000 -4: X=0.27199000 Y=0.75000000 Z=0.91696000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -5: X=0.10269000 Y=0.25000000 Z=0.41107000 MULT= 4 ISPLIT= 8 -5: X=0.89731000 Y=0.75000000 Z=0.58893000 -5: X=0.60269000 Y=0.25000000 Z=0.08893000 -5: X=0.39731000 Y=0.75000000 Z=0.91107000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -6: X=0.42677000 Y=0.25000000 Z=0.40784000 MULT= 4 ISPLIT= 8 -6: X=0.57323000 Y=0.75000000 Z=0.59216000 -6: X=0.92677000 Y=0.25000000 Z=0.09216000 -6: X=0.07323000 Y=0.75000000 Z=0.90784000 Ge NPT= 781 R0=.000050000 RMT= 2.41 Z: 32.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -7: X=0.00049000 Y=0.25000000 Z=0.71870000 MULT= 4 ISPLIT= 8 -7: X=0.99951000 Y=0.75000000 Z=0.28130000 -7: X=0.50049000 Y=0.25000000 Z=0.78130000 -7: X=0.49951000 Y=0.75000000 Z=0.21870000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -8: X=0.33336000 Y=0.25000000 Z=0.70680000 MULT= 4 ISPLIT= 8 -8: X=0.66664000 Y=0.75000000 Z=0.29320000 -8: X=0.83336000 Y=0.25000000 Z=0.79320000 -8: X=0.16664000 Y=0.75000000 Z=0.20680000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 ATOM -9: X=0.16761000 Y=0.25000000 Z=0.79240000 MULT= 4 ISPLIT= 8 -9: X=0.83239000 Y=0.75000000 Z=0.20760000 -9: X=0.66761000 Y=0.25000000 Z=0.70760000 -9: X=0.33239000 Y=0.75000000 Z=0.29240000 Ca NPT= 781 R0=.000050000 RMT= 2.50000 Z: 20.00000 LOCAL ROT MATRIX: 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000