../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oF48_70_ce_f a b/a c/a x2 y3 standard 1 7.9525 2.0629865 0.21895002 0.74086936 0.93730469 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000