../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C A_oC16_65_pq a b/a c/a x1 y1 x2 y2 standard 1 4.2547 2.0610619 0.59089948 0.18519352 0.16660457 0.18446938 0.41082374 Sim_LAMMPS_ReaxFF_ChenowethVanDuinGoddard_2008_CHO__SM_584143153761_001