We tested the correlation of the energy between the fully optimized and partially optimized (20 optimization iterations) structures of the (SA) 5 (DMA) 5 cluster. The partially optimized geometries are highly correlated (with R = 0.75) with those of the fully optimized geometries (see supporting information Figure ). This finding supports the idea that we can shorten the geometry optimization process and identify potential candidates for global minimum after a certain number of iterations. Based on the above findings, we stopped the geometry optimization at 20 iterations, but for larger or more complex systems, it may be necessary to increase the number of iterations.