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. 2021 Aug 16;121(16):10073–10141. doi: 10.1021/acs.chemrev.1c00022

Figure 14.

Figure 14

Exploring and fitting structural space from scratch with the GAP-RSS methodology.140,143 The example shown here illustrates how the structure of α-rhombohedral boron is discovered within a few iterations of GAP fitting and iterative random structure searching. Reprinted from ref (143). Original figure published under the CC BY 4.0 license (https://creativecommons.org/licenses/by/4.0/).