diff --git a/express/parsers/structure.py b/express/parsers/structure.py index 2b213dd6..62a01ce6 100644 --- a/express/parsers/structure.py +++ b/express/parsers/structure.py @@ -158,8 +158,8 @@ def basis(self): """ return { "units": "crystal", - "elements": [{"id": i + 1, "value": v.species_string} for i, v in enumerate(self.structure.sites)], - "coordinates": [{"id": i + 1, "value": v.frac_coords.tolist()} for i, v in enumerate(self.structure.sites)], + "elements": [{"id": i, "value": v.species_string} for i, v in enumerate(self.structure.sites)], + "coordinates": [{"id": i, "value": v.frac_coords.tolist()} for i, v in enumerate(self.structure.sites)], } def space_group_symbol(self):