../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_hR36_167_def_f a c/a x2 x3 y3 z3 x4 y4 z4 standard 1 8.0495301 3.6759176 0.50600817 0.90363734 0.17688175 0.25203044 0.041032101 0.95060742 0.36070685 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000