F LATTICE,NONEQUIV.ATOMS 3 226 Fm-3c MODE OF CALC=RELA unit=bohr 18.984189 18.984189 18.984189 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 Sb NPT= 781 R0=.000010000 RMT= 2.50000 Z: 51.00000 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= 2 2: X=0.00000000 Y=0.00000000 Z=0.50000000 Be NPT= 781 R0=.000100000 RMT= 2.00 Z: 4.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 ATOM -3: X=0.00000000 Y=0.11570000 Z=0.17810000 MULT=24 ISPLIT= 8 -3: X=0.00000000 Y=0.88430000 Z=0.82190000 -3: X=0.88430000 Y=0.00000000 Z=0.67810000 -3: X=0.11570000 Y=0.00000000 Z=0.32190000 -3: X=0.17810000 Y=0.00000000 Z=0.11570000 -3: X=0.82190000 Y=0.00000000 Z=0.88430000 -3: X=0.00000000 Y=0.88430000 Z=0.17810000 -3: X=0.00000000 Y=0.11570000 Z=0.82190000 -3: X=0.00000000 Y=0.17810000 Z=0.61570000 -3: X=0.00000000 Y=0.82190000 Z=0.38430000 -3: X=0.11570000 Y=0.00000000 Z=0.67810000 -3: X=0.88430000 Y=0.00000000 Z=0.32190000 -3: X=0.82190000 Y=0.00000000 Z=0.11570000 -3: X=0.17810000 Y=0.00000000 Z=0.88430000 -3: X=0.00000000 Y=0.82190000 Z=0.61570000 -3: X=0.00000000 Y=0.17810000 Z=0.38430000 -3: X=0.17810000 Y=0.88430000 Z=0.50000000 -3: X=0.82190000 Y=0.11570000 Z=0.50000000 -3: X=0.11570000 Y=0.17810000 Z=0.00000000 -3: X=0.88430000 Y=0.82190000 Z=0.00000000 -3: X=0.17810000 Y=0.11570000 Z=0.50000000 -3: X=0.82190000 Y=0.88430000 Z=0.50000000 -3: X=0.88430000 Y=0.17810000 Z=0.00000000 -3: X=0.11570000 Y=0.82190000 Z=0.00000000 Be NPT= 781 R0=.000100000 RMT= 2.00 Z: 4.00000 LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000