../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hP36_194_ghk_k a c/a x2 x3 z3 x4 z4 standard 1 10.0903 1.0201976 0.46758449 0.24575132 0.41647772 0.43139423 0.39644944 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000