F LATTICE,NONEQUIV.ATOMS 3 226 Fm-3c MODE OF CALC=RELA unit=bohr 26.286091 26.286091 26.286091 90.000000 90.000000 90.000000 ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 2 1: X=0.00000000 Y=0.00000000 Z=0.50000000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 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=0.11920000 Z=0.18060000 MULT=24 ISPLIT= 8 -2: X=0.00000000 Y=0.88080000 Z=0.81940000 -2: X=0.88080000 Y=0.00000000 Z=0.68060000 -2: X=0.11920000 Y=0.00000000 Z=0.31940000 -2: X=0.18060000 Y=0.00000000 Z=0.11920000 -2: X=0.81940000 Y=0.00000000 Z=0.88080000 -2: X=0.00000000 Y=0.88080000 Z=0.18060000 -2: X=0.00000000 Y=0.11920000 Z=0.81940000 -2: X=0.00000000 Y=0.18060000 Z=0.61920000 -2: X=0.00000000 Y=0.81940000 Z=0.38080000 -2: X=0.11920000 Y=0.00000000 Z=0.68060000 -2: X=0.88080000 Y=0.00000000 Z=0.31940000 -2: X=0.81940000 Y=0.00000000 Z=0.11920000 -2: X=0.18060000 Y=0.00000000 Z=0.88080000 -2: X=0.00000000 Y=0.81940000 Z=0.61920000 -2: X=0.00000000 Y=0.18060000 Z=0.38080000 -2: X=0.18060000 Y=0.88080000 Z=0.50000000 -2: X=0.81940000 Y=0.11920000 Z=0.50000000 -2: X=0.11920000 Y=0.18060000 Z=0.00000000 -2: X=0.88080000 Y=0.81940000 Z=0.00000000 -2: X=0.18060000 Y=0.11920000 Z=0.50000000 -2: X=0.81940000 Y=0.88080000 Z=0.50000000 -2: X=0.88080000 Y=0.18060000 Z=0.00000000 -2: X=0.11920000 Y=0.81940000 Z=0.00000000 Cd NPT= 781 R0=.000010000 RMT= 2.50000 Z: 48.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 ATOM 3: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 2 3: X=0.75000000 Y=0.75000000 Z=0.75000000 Rb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 37.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000