../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si A_hP1_191_a a c/a standard 1 2.6513 0.93471127 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000