../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H
A_tP1_123_a
a c/a
standard
1
3.1695 0.94664774
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000