../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_cP72_223_jk_j a y1 y2 y3 z3 standard 1 10.7882 0.64988921 0.13690715 0.64794988 0.81519125 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000