../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_tP48_126_fik_k a c/a x2 x3 y3 z3 x4 y4 z4 standard 1 11.2802 0.45787309 0.48190928 0.11664651 0.84097387 0.15112788 0.056886411 0.86952041 0.87299833 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000