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The structure of nanoclusters is complex to describe due to theirnoncrystallinity, even though bonding and packing constraints limit the localatomic arrangements to only a few types. A computational scheme is presented toextract coordination motifs from sample atomic configurations. The method isbased on a clustering analysis of multipole moments for atoms in the firstcoodination shell. Its power to capture large-scale structural properties isdemonstrated by scanning through the ground state of the Lennard-Jones andC$_{60}$ clusters collected at the Cambridge Cluster Database.

Coordination motifs and large-scale structural organization in atomic clusters