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nanoclusters

A collection of POSCARs for the relaxed 360 transition-metal nanoclusters, which were used in the below research article. Please consider citing it when using these POSCARs.

Amogh Vig, Ethan Doan, and Kesong Yang*, First-Principles Investigation of Size Effects on Cohesive Energies of Transition-Metal Nanoclusters, Nanomaterials, 2023, 13, 2356; https://doi.org/10.3390/nano13162356.