../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
N
A_cI20_217_ce
a x1 x2
standard
1
5.878 0.63332537 0.28144238
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000