../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C O AB2_hR24_167_be_cf a c/a x2 x3 x4 y4 z4 standard 1 10.452872 1.238021 0.090834503 0.5013467 0.9033208 0.33384816 0.40595566 Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001