../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cF96_227_cf_e a x2 x3 standard 1 15.289 0.060414581 0.2479451 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000