../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C O AB2_tP6_136_a_f a c/a x2 standard 2 4.4994 1.0871005 0.1845804 4.3112 1.1971377 0.80719967 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000