../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner N O AB2_cI36_204_d_g a x1 y2 z2 standard 1 8.2499 0.61224648 0.86542177 0.66869671 Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000