../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C O
AB2_tI12_122_a_d
a c/a x2
standard
1
3.9654 1.5127099 0.8349341
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001