bugfix

Author: samwaseda

pyiron_rdm/concept_dict.py

@@ -693,9 +693,8 @@ def get_unit_cell_parameters(structure: Atoms):
     elif symmetry.spacegroup["InternationalTableSymbol"] == "Fm-3m":
         structure_parameters["bravais_lattice"] = "fcc"
         if len(structure) == 1:
-            structure_parameters = {
-                structure_parameters["a"] = np.round(structure.cell[1][0] * 2, 4)
-                structure_parameters["volume"] = np.round((structure.cell[1][0] * 2) ** 3, 4)
+            structure_parameters["a"] = np.round(structure.cell[1][0] * 2, 4)
+            structure_parameters["volume"] = np.round((structure.cell[1][0] * 2) ** 3, 4)
     elif symmetry.spacegroup["InternationalTableSymbol"] == "P6_3/mmc":
         structure_parameters["c"] = np.round(structure.cell[2][2], 4)
         structure_parameters["gamma"] = 120.0