diff --git a/pymatgen/io/ase.py b/pymatgen/io/ase.py index b3c918023a5..d91bda5af3c 100644 --- a/pymatgen/io/ase.py +++ b/pymatgen/io/ase.py @@ -217,7 +217,7 @@ def get_structure(atoms: Atoms, cls: type[Structure] = Structure, **cls_kwargs) else: sel_dyn = None - # Atoms.info <---> Structure.properties (excluding properties["calc"]) + # Atoms.info <---> Structure.properties properties = jsanitize(getattr(atoms, "info", {})) # Return a Molecule object if that was specifically requested;