../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C N A3B4_hP14_187_jk_adjk a c/a x3 x4 x5 x6 standard 1 4.7841 1.5753642 0.17633586 0.49655183 0.50994763 0.82982853 Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000