P LATTICE,NONEQUIV.ATOMS 4 11 P21/m MODE OF CALC=RELA unit=bohr 10.344739 6.457194 12.053429 90.000000 90.000000 90.931000 ATOM -1: X=0.00000000 Y=0.50000000 Z=0.00000000 MULT= 2 ISPLIT= 8 -1: X=0.00000000 Y=0.50000000 Z=0.50000000 Ag NPT= 781 R0=.000010000 RMT= 2.22 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=0.21877000 Y=0.27180000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.78123000 Y=0.72820000 Z=0.75000000 N NPT= 781 R0=.000100000 RMT= 1.13 Z: 7.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.42460000 Y=0.18400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -3: X=0.57540000 Y=0.81600000 Z=0.75000000 C NPT= 781 R0=.000100000 RMT= 1.07 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -4: X=0.62710000 Y=0.04400000 Z=0.25000000 MULT= 2 ISPLIT= 8 -4: X=0.37290000 Y=0.95600000 Z=0.75000000 O NPT= 781 R0=.000100000 RMT= 1.20 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000