(Si)8 (Fd-3m) ~ Si (VASP) 1 0.000000 2.709315 2.709315 2.709315 0.000000 2.709315 2.709315 2.709315 0.000000 Si 2 Direct configuration= 1 0.37500000 0.37500000 0.37500000 0.62500000 0.62500000 0.62500000