The pair (EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_cP12_205_a_c_MgO__TE_068755949348_000, Sim_LAMMPS_CoreShell_MitchellFincham_1993_MgO__SM_579243392924_000) did not produce a output/results.edn output file.