As the full pore configurations correspond to the true structures, one would put more weight on a method's ability to properly account for amine-amine interaction, as well as amine-MOF interactions, when assessing the general accuracy of its predictions. With this logic, and ignoring possible degeneracy and just taking the lowest predicted configuration as the sole prediction, one would say that only PBEsol and PBEsol+GD2/3 all predict the loading and configuration correctly. This accounts for 3 out of the 12 considered calculation schemes, or 25%. If one were instead to only use the single amine binding as a quick screening, and again ignore possible degeneracy, PBE+GD2, PBE+GD3, PBEsol, PBEsol+GD2/3, and NNP would have accurate predictions of the full pore: 50%.