The pair (EquilibriumCrystalStructure_A2B_mP12_4_4a_2a_HO__TE_477223945963_001, Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000) did not produce a output/results.edn output file.