../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner N O AB2_cI36_204_e_g a x1 y2 z2 standard 1 8.9501 0.60263894 0.15454126 0.37577381 Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000