../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner H A_hP2_194_c a c/a standard 4 4.651 0.79916147 3.302 1.6282556 3.446 1.6268717 3.5577 1.6337803 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000