../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hR18_167_de_e a c/a x2 x3 standard 1 16.392715 0.28991137 0.98999777 0.68260002 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000