P LATTICE,NONEQUIV.ATOMS 2 11 P21/m MODE OF CALC=RELA unit=bohr 10.478531 7.560794 7.685516 90.000000 90.000000100.550000 ATOM -1: X=0.23000000 Y=0.15000000 Z=0.25000000 MULT= 2 ISPLIT= 8 -1: X=0.77000000 Y=0.85000000 Z=0.75000000 Ag NPT= 781 R0=.000010000 RMT= 2.39 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=0.69500000 Y=0.30800000 Z=0.25000000 MULT= 2 ISPLIT= 8 -2: X=0.30500000 Y=0.69200000 Z=0.75000000 I NPT= 781 R0=.000010000 RMT= 2.39 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000