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. 2014 Jun 5;140(21):214109. doi: 10.1063/1.4878665

Figure 11.

Figure 11

Left panel: The bcc structure obtained by the K-means clustering approach (see text). The snapshot shows the central atom in green, the red spheres represent the centroids of the clusters corresponding to the first-shell atoms, while the cyan spheres show the centroids of the clusters corresponding to the second-shell atoms. The small yellow spheres represent 8000 randomly selected cluster points from 224 000 total points. Right panel: The fcc structure obtained by the K-means clustering approach. As with the bcc structure, the green sphere is the central atom, the red spheres are the centroids of the clusters corresponding to the first-shell atoms, and the small yellow spheres represent 8000 randomly selected cluster points from 192 000 total points.