../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner H V AB2_mC6_12_a_i a b/a c/a beta x2 z2 standard 1 4.4855 0.6551555 1.5098428 138.2364 0.99357027 0.26479143 Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001