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• README.txt: Contains descriptions for the folders.
• DECORATED_C60.tar.gz: Computational data to support an extensive study of Exohedrally metal decorated carbon fullerene structures. We determine the energetically lowest configurations for decorations with a varying number of decorating atoms (2 to 32) for alkali metals, alkaline-earth metals as well as some other important elements and find that the dense uniform distribution of the decorating atoms over the surface of the C60, desired for hydrogen storage, can be obtained only for a few elements.