../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cI48_206_ad_c a x2 x3 standard 1 8.5832 0.60767507 0.17528056 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000