../../td/EquilibriumCrystalStructure__TD_457028483760_001/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