R LATTICE,NONEQUIV.ATOMS 3 146 R3 MODE OF CALC=RELA unit=bohr 13.012464 13.012464 15.936436 90.000000 90.000000120.000000 ATOM -1: X=0.46400000 Y=0.46400000 Z=0.46400000 MULT= 1 ISPLIT= 4 S NPT= 781 R0=.000100000 RMT= 2.06 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 -2: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 1 ISPLIT= 4 I NPT= 781 R0=.000010000 RMT= 2.50000 Z: 53.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.48500000 Y=0.60099000 Z=0.98400000 MULT= 3 ISPLIT= 8 -3: X=0.60099000 Y=0.98400000 Z=0.48500000 -3: X=0.98400000 Y=0.48500000 Z=0.60099000 Ag NPT= 781 R0=.000010000 RMT= 2.50000 Z: 47.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000