F LATTICE,NONEQUIV.ATOMS 3 226 Fm-3c MODE OF CALC=RELA unit=bohr 19.766535 19.766535 19.766535 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 Be NPT= 781 R0=.000100000 RMT= 2.04 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 -2: X=0.00000000 Y=0.11100000 Z=0.17500000 MULT=24 ISPLIT= 8 -2: X=0.00000000 Y=0.88900000 Z=0.82500000 -2: X=0.88900000 Y=0.00000000 Z=0.67500000 -2: X=0.11100000 Y=0.00000000 Z=0.32500000 -2: X=0.17500000 Y=0.00000000 Z=0.11100000 -2: X=0.82500000 Y=0.00000000 Z=0.88900000 -2: X=0.00000000 Y=0.88900000 Z=0.17500000 -2: X=0.00000000 Y=0.11100000 Z=0.82500000 -2: X=0.00000000 Y=0.17500000 Z=0.61100000 -2: X=0.00000000 Y=0.82500000 Z=0.38900000 -2: X=0.11100000 Y=0.00000000 Z=0.67500000 -2: X=0.88900000 Y=0.00000000 Z=0.32500000 -2: X=0.82500000 Y=0.00000000 Z=0.11100000 -2: X=0.17500000 Y=0.00000000 Z=0.88900000 -2: X=0.00000000 Y=0.82500000 Z=0.61100000 -2: X=0.00000000 Y=0.17500000 Z=0.38900000 -2: X=0.17500000 Y=0.88900000 Z=0.50000000 -2: X=0.82500000 Y=0.11100000 Z=0.50000000 -2: X=0.11100000 Y=0.17500000 Z=0.00000000 -2: X=0.88900000 Y=0.82500000 Z=0.00000000 -2: X=0.17500000 Y=0.11100000 Z=0.50000000 -2: X=0.82500000 Y=0.88900000 Z=0.50000000 -2: X=0.88900000 Y=0.17500000 Z=0.00000000 -2: X=0.11100000 Y=0.82500000 Z=0.00000000 Be NPT= 781 R0=.000100000 RMT= 2.04 Z: 4.00000 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 Sr NPT= 781 R0=.000010000 RMT= 2.50000 Z: 38.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000