../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C N A3B4_cP7_215_c_e a x2 standard 1 3.4558 0.25428553 Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000