../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C N AB2_hP6_164_c_2d a c/a z1 z2 z3 standard 1 2.363 4.5256877 0.073825071 0.46689141 0.87828925 Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000