../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C H AB_cI16_199_a_a a x1 x2 standard 1 4.3206 0.088952473 0.44338402 Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001