P LATTICE,NONEQUIV.ATOMS 6 14 P21/n MODE OF CALC=RELA unit=bohr 19.385756 8.788549 14.911829 90.000000 90.000000110.527000 ATOM -1: X=0.19620000 Y=0.04480000 Z=0.52000000 MULT= 4 ISPLIT= 8 -1: X=0.80380000 Y=0.95520000 Z=0.48000000 -1: X=0.30380000 Y=0.45520000 Z=0.02000000 -1: X=0.69620000 Y=0.54480000 Z=0.98000000 Ag NPT= 781 R0=.000010000 RMT= 1.94 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -2: X=0.44010000 Y=0.65350000 Z=0.37700000 MULT= 4 ISPLIT= 8 -2: X=0.55990000 Y=0.34650000 Z=0.62300000 -2: X=0.05990000 Y=0.84650000 Z=0.87700000 -2: X=0.94010000 Y=0.15350000 Z=0.12300000 Ag NPT= 781 R0=.000010000 RMT= 1.94 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.12180000 Y=0.31120000 Z=0.29000000 MULT= 4 ISPLIT= 8 -3: X=0.87820000 Y=0.68880000 Z=0.71000000 -3: X=0.37820000 Y=0.18880000 Z=0.79000000 -3: X=0.62180000 Y=0.81120000 Z=0.21000000 S NPT= 781 R0=.000100000 RMT= 1.38 Z: 16.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.21120000 Y=0.64460000 Z=0.27340000 MULT= 4 ISPLIT= 8 -4: X=0.78880000 Y=0.35540000 Z=0.72660000 -4: X=0.28880000 Y=0.85540000 Z=0.77340000 -4: X=0.71120000 Y=0.14460000 Z=0.22660000 O NPT= 781 R0=.000100000 RMT= 1.45 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -5: X=0.47030000 Y=0.29660000 Z=0.20800000 MULT= 4 ISPLIT= 8 -5: X=0.52970000 Y=0.70340000 Z=0.79200000 -5: X=0.02970000 Y=0.20340000 Z=0.70800000 -5: X=0.97030000 Y=0.79660000 Z=0.29200000 O NPT= 781 R0=.000100000 RMT= 1.45 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -6: X=0.13010000 Y=0.16850000 Z=0.12000000 MULT= 4 ISPLIT= 8 -6: X=0.86990000 Y=0.83150000 Z=0.88000000 -6: X=0.36990000 Y=0.33150000 Z=0.62000000 -6: X=0.63010000 Y=0.66850000 Z=0.38000000 O NPT= 781 R0=.000100000 RMT= 1.45 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000