(Si)8 (Fd-3m) ~ Si (GPU) 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 (Si)8 (Fd-3m) ~ Si (GPU) 1 0.000000 2.751499 2.751499 2.751499 0.000000 2.751499 2.751499 2.751499 -0.000000 Si 2 Direct configuration= 2 0.37500000 0.37500000 0.37500000 0.62500000 0.62500000 0.62500000 (Si)8 (Fd-3m) ~ Si (GPU) 1 0.000000 2.734547 2.734547 2.734547 0.000000 2.734547 2.734547 2.734547 -0.000000 Si 2 Direct configuration= 3 0.37500000 0.37500000 0.37500000 0.62500000 0.62500000 0.62500000