F LATTICE,NONEQUIV.ATOMS 3 226 Fm-3c MODE OF CALC=RELA unit=bohr 26.304988 26.304988 26.304988 90.000000 90.000000 90.000000 ATOM 1: X=0.25000000 Y=0.25000000 Z=0.25000000 MULT= 2 ISPLIT= 2 1: X=0.75000000 Y=0.75000000 Z=0.75000000 Cs NPT= 781 R0=.000010000 RMT= 2.50000 Z: 55.00000 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=0.12057000 Z=0.18024000 MULT=24 ISPLIT= 8 -2: X=0.00000000 Y=0.87943000 Z=0.81976000 -2: X=0.87943000 Y=0.00000000 Z=0.68024000 -2: X=0.12057000 Y=0.00000000 Z=0.31976000 -2: X=0.18024000 Y=0.00000000 Z=0.12057000 -2: X=0.81976000 Y=0.00000000 Z=0.87943000 -2: X=0.00000000 Y=0.87943000 Z=0.18024000 -2: X=0.00000000 Y=0.12057000 Z=0.81976000 -2: X=0.00000000 Y=0.18024000 Z=0.62057000 -2: X=0.00000000 Y=0.81976000 Z=0.37943000 -2: X=0.12057000 Y=0.00000000 Z=0.68024000 -2: X=0.87943000 Y=0.00000000 Z=0.31976000 -2: X=0.81976000 Y=0.00000000 Z=0.12057000 -2: X=0.18024000 Y=0.00000000 Z=0.87943000 -2: X=0.00000000 Y=0.81976000 Z=0.62057000 -2: X=0.00000000 Y=0.18024000 Z=0.37943000 -2: X=0.18024000 Y=0.87943000 Z=0.50000000 -2: X=0.81976000 Y=0.12057000 Z=0.50000000 -2: X=0.12057000 Y=0.18024000 Z=0.00000000 -2: X=0.87943000 Y=0.81976000 Z=0.00000000 -2: X=0.18024000 Y=0.12057000 Z=0.50000000 -2: X=0.81976000 Y=0.87943000 Z=0.50000000 -2: X=0.87943000 Y=0.18024000 Z=0.00000000 -2: X=0.12057000 Y=0.81976000 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=0.00000000 Y=0.00000000 Z=0.00000000 MULT= 2 ISPLIT= 2 3: 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