import json from ase.db import connect from pymatgen.core import Structure with open("wbm_structures.json") as f: structs = json.load(f) with connect("wbm_structures.db") as db: for id, s in structs.items(): atoms = Structure.from_dict(s).to_ase_atoms(msonable=False) db.write(atoms, wbm_id=id)