Even with the higher and wider range of energies for the AFM runs, the sample of structures obtained from the AFM runs are similar to those of the FiM runs and the swapping-only runs. The acceptance rates for AFM runs are also very similar to those of FiM runs (Supplementary Table ). Although the algorithm is robust to using different magnetic structures, it seems that for this system that the FiM set-up is a more appropriate choice to use for finding new spinel configurations and compositions.