../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ce O A2B3_cI80_206_ad_e a x2 x3 y3 z3 standard 1 11.3753 0.27967813 0.85996091 0.12873924 0.39904143 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000