In this work, the thermal stability of an AIMD run is quantitatively described by the number of Zn-N bond breaks per six norspermines, which can vary from 0 to 12. In this way, we can normalize the numbers since different motifs have different loadings/number of amines per unit cell. The results for the various norspermine motifs are shown in Table . For these runs, we want to determine if AIMD can help to find the correct amine motif when different motifs approach degeneracy based on their binding energy?