Figure : (Filled curves) Energy distributions of all structures produced for each py-GlobOpt run. (dashed curves) Energy distributions of unique structures produced for each pyGlobOpt run. All pyGlobOpt results were optimised locally using xTB (section 2.4.1), performed with the grouping algorithm (section 2.2), and used the tuned parameters (section 3.3.5). The curves, to increase legibility, were smoothed with Gaussians then normalized such that integrating over the entire curve will return 1 for each pyGlobOpt run. A pink point is present in the zoomed in part of the graph, representing the Pt 13 + 2 H 2 global minimum, however it is only a couple of pixels high, it is difficult to show this without loosing the proportions for the other calculations. This is the same for all dotted lines for the zoomed in part of the graph, all have population at the shown curves but are too small to easily see. An alternative plot of this graph is shown in figure . The reason a peak is visible for the unique structures of Pt 13 +2 H 2 is due to the small number of unique structures present for that system (c.f. table )