../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_hP12_194_e2f a c/a z1 z2 z3 standard 1 2.5213 4.9308293 0.18686753 0.52076763 0.6450971 Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001