diff --git a/src/pymatgen/transformations/site_transformations.py b/src/pymatgen/transformations/site_transformations.py index 220769fd0f4..f5a331e44ac 100644 --- a/src/pymatgen/transformations/site_transformations.py +++ b/src/pymatgen/transformations/site_transformations.py @@ -316,7 +316,7 @@ def _complete_ordering(self, structure: Structure, num_remove_dict): for ii, t_sites in enumerate(tested_sites): t_energy = all_structures[ii]["energy"] if abs((energy - t_energy) / len(s_new)) < 1e-5 and sg.are_symmetrically_equivalent( - sites_to_remove, t_sites, symm_prec=symprec + set(sites_to_remove), set(t_sites), symm_prec=symprec ): already_tested = True