blebleble F LATTICE,NONEQUIV.ATOMS: 1 227 Fd-3m MODE OF CALC=RELA unit=bohr 6.740880 6.740880 6.740880 90.000000 90.000000 90.000000 ATOM 1: X=0.87500000 Y=0.37500000 Z=0.37500000 MULT= 2 ISPLIT=15 1: X=0.12500000 Y=0.12500000 Z=0.12500000 C 1 NPT= 781 R0=.000100000 RMT= 1.45 Z: 6.00000 LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0 NUMBER OF SYMMETRY OPERATIONS