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Figure 1
Descriptions of complex structures, illustrated for the case of a disordered binary alloy. (a) A representative atomistic configuration. (b) The auto-correlation function, with positive maxima represented by filled circles and negative maxima by empty circles. The size of the circle corresponds to the strength of the auto-correlation. (c) The interaction space driving the generation of atomistic models as in panel (a) and the corresponding auto-correlation function in panel (b).

IUCrJ
Volume 9| Part 1| January 2022| Pages 21-30
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521009982