../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl Si A8B3_cF176_219_eh_abe a x3 x4 x5 y5 z5 standard 1 18.5328 0.93662936 0.1764383 0.41028858 0.23418412 0.3605637 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000