Once the relaxed DFT configurations are obtained, a comparative structural analysis is performed on the final geometries. This is accomplished by removing the PDs from each relaxed configuration and then encoding the structure using DScribe's smooth overlap of atomic positions (SOAP) or SineMatrix descriptors to obtain fixed-size numeric vectors. Here we use our group's AutoCat software as an interface to streamline this process. Once these structure encodings are obtained, dimensionality reduction is done using the Uniform Manifold Approximation and Projection (UMAP) algorithm. The clusters produced by the 2-D UMAP projections are assigned group labels using the HDBSCAN clustering algorithm.