../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner H A_hP4_194_f a c/a z1 standard 2 3.7459 2.7159561 0.10828712 3.2905 1.3015955 0.1624874 Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001