R LATTICE,NONEQUIV.ATOMS 3 161 R3c MODE OF CALC=RELA unit=bohr 10.446596 10.446596 25.919295 90.000000 90.000000120.000000 ATOM -1: X=0.25080000 Y=0.25080000 Z=0.25080000 MULT= 2 ISPLIT= 4 -1: X=0.75080000 Y=0.75080000 Z=0.75080000 Ag NPT= 781 R0=.000010000 RMT= 2.48 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 4 -2: X=0.50000000 Y=0.50000000 Z=0.50000000 Ta NPT= 781 R0=.000005000 RMT= 1.96 Z: 73.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.18920000 Y=0.29909000 Z=0.75870000 MULT= 6 ISPLIT= 8 -3: X=0.29909000 Y=0.75870000 Z=0.18920000 -3: X=0.68920000 Y=0.25870000 Z=0.79909000 -3: X=0.75870000 Y=0.18920000 Z=0.29909000 -3: X=0.25870000 Y=0.79909000 Z=0.68920000 -3: X=0.79909000 Y=0.68920000 Z=0.25870000 O NPT= 781 R0=.000100000 RMT= 1.69 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000