../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Si A_tI8_139_h a c/a x1 standard 1 6.6881 0.57703982 0.8213634 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000