../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
H O
A2B_oI48_72_cdefg_k
a b/a c/a x4 y5 x6 y6 z6
standard
1
8.0072 0.5810021 0.96168448 0.88169955 0.72484529 0.37914289 0.28069572 0.83572883
Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001