Space group F 2dd for XAFQAZ shows an opposite trend with respect to the temperature of the basin hopping trajectories: more consistent results were obtained at the lower temperature in this space group (Table ): all 500 K QR-BH simulations located the F 2dd global minimum, using fewer steps than QR in all but one of the simulations (at a 10:1 seed:step ratio). I4 1 /a was also problematic for XAFQAZ, with the 50,000-minimization QR search missing the global minimum and the next three lowest energy predicted structures (Fig. ). QR-BH was more successful, finding the space group global energy minimum in most of the simulations. Like space group F 2dd, more consistent results were obtained at lower temperature; the I4 1 /a global minimum was located in all three 500 K QR-BH simulations with a 1:1 seed:step allocation.