../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner C Fe A6B23_cF116_225_e_acfh a x3 x4 y5 standard 2 10.1828 0.72081922 0.38072966 0.16775501 10.9627 0.72925845 0.38428785 0.1708761 Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000