../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O V A3B7_mC20_12_ai_d3i a b/a c/a beta x3 z3 x4 z4 x5 z5 x6 z6 standard 1 9.9013 0.30216234 0.79687516 90.1507 0.72408281 0.85737421 0.62842152 0.11608616 0.91416338 0.24730616 0.20031262 0.38643084 Sim_LAMMPS_ReaxFF_ChenowethVanDuinPersson_2008_CHOV__SM_429148913211_001