The pair (EquilibriumCrystalStructure_Unconstrained_TypeLabels_core_shell_AB2_hR3_166_a_c_CaF__TE_602903071008_000, Sim_LAMMPS_CoreShell_MitchellFincham_1993_CaF__SM_676649151762_000) did not produce a output/results.edn output file.