../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ce O A2B3_mC10_12_i_ai a b/a c/a beta x2 z2 x3 z3 standard 1 6.8387 0.57525553 0.89707108 90.2348 0.33327696 0.75272303 0.33353379 0.3535177 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000