../../td/EquilibriumCrystalStructure__TD_457028483760_000/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