../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C
A_hP12_194_e2f
a c/a z1 z2 z3
standard
1
2.5213 4.9308293 0.18686753 0.52076763 0.6450971
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000