../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
N O
AB2_cI36_199_b_c
a x1 x2 y2 z2
standard
1
9.0534 0.34734597 0.39674742 0.81678195 0.90023643
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000