R LATTICE,NONEQUIV.ATOMS 3 148 R-3 MODE OF CALC=RELA unit=bohr 10.659946 10.659946 30.458606 90.000000 90.000000120.000000 ATOM -1: X=0.13120000 Y=0.13120000 Z=0.13120000 MULT= 2 ISPLIT= 4 -1: X=0.86880000 Y=0.86880000 Z=0.86880000 Ag NPT= 781 R0=.000010000 RMT= 2.38 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=0.34040000 Y=0.34040000 Z=0.34040000 MULT= 2 ISPLIT= 4 -2: X=0.65960000 Y=0.65960000 Z=0.65960000 Bi NPT= 781 R0=.000005000 RMT= 2.18 Z: 83.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.46250000 Y=0.69749000 Z=0.05850000 MULT= 6 ISPLIT= 8 -3: X=0.53750000 Y=0.30251000 Z=0.94150000 -3: X=0.69749000 Y=0.05850000 Z=0.46250000 -3: X=0.30251000 Y=0.94150000 Z=0.53750000 -3: X=0.05850000 Y=0.46250000 Z=0.69749000 -3: X=0.94150000 Y=0.53750000 Z=0.30251000 O NPT= 781 R0=.000100000 RMT= 1.78 Z: 8.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000