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. 2015 Dec 30;12(2):910–924. doi: 10.1021/acs.jctc.5b01112

Figure 8.

Figure 8

Convergence and sampling of the quinacridone P1̅ Z′ = 2 search for crystal structures. a) The number of unique structures within 15 kJ/mol of the global minimum as a function of the total number of successful lattice energy minimizations, using each variation of the structure generation method. b) Hits of the 10 lowest energy crystal structures througout the Sobol sequence, using the SAT-expand method.