../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner H V AB2_tI24_141_c_h a c/a y2 z2 standard 1 5.9333 1.1441356 0.50236441 0.26726221 Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001