../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C O
AB2_hR24_167_be_cf
a c/a x2 x3 x4 y4 z4
standard
1
10.452872 1.238021 0.090834503 0.5013467 0.9033208 0.33384816 0.40595566
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000