../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O
A_hP4_194_f
a c/a z1
standard
1
2.5258 3.3934595 0.67829089
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000