We set the number of active BH trajectories to 200, with a maximum of 250 steps for each BH trial, while other parameters were unchanged from the previous co-crystal searches. Searches were run for a total of 50,000 energy minimizations. The distribution of BH steps among trajectories (Fig. and Figs S1, S2 for all systems, space groups and temperatures) indicates that most of the BH trials were truncated within 50 steps for XAFQAZ at 3000 K and only a small number of trials reached the maximum allowed number of steps. The length of trajectories increases slightly at 500 K (Fig. ) and are typically even shorter for the PYRPMA cocrystal (Fig. ). This observation implies that BH trials rarely remain in separate regions of the energy landscape and, so, on-the-fly clustering should help keep the structure search spread across configurational space. We also noticed that many quasi-random structures directly duplicated structures that had already been located by QR-BH, so did not progress to BH beyond the initial energy minimization.