../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hP18_179_ab_b a c/a x1 x2 x3 standard 1 7.3595 0.95899178 0.31606908 0.61199005 0.23298748 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000