["license:mit", "size_categories:n<1K", "format:parquet", "library:datasets", "library:pandas", "library:mlcroissant", "library:polars", "region:us", "chemistry", "materials"]
[{"name": "nr_atoms", "dtype": "int64"}, {"name": "atomic_types_z", "sequence": "int32"}, {"name": "atomic_positions", "sequence": {"sequence": "float64"}}, {"name": "lattice_nsc", "sequence": "int32"}, {"name": "lattice_origin", "sequence": "float64"}, {"name": "lattice_vectors", "sequence": {"sequence": "float64"}}, {"name": "boundary_condition", "sequence": {"sequence": "int32"}}, {"name": "h_matrix", "sequence": {"sequence": "float64"}}, {"name": "s_matrix", "sequence": {"sequence": "float64"}}]