OutputSummary

class emmet.core.vasp.task_valid.OutputSummary(**data)

Bases: BaseModel

Summary of the outputs for a VASP calculation

Parameters:

• structure (Annotated[StructureTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.structure_adapter.pop_empty_structure_keys, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.structure_adapter.<lambda>, return_type=~emmet.core.types.pymatgen_types.structure_adapter.TypedStructureDict, when_used=always)] | None)

• energy (float | None)

• energy_per_atom (float | None)

• bandgap (float | None)

• forces (list[tuple[float, float, float]] | None)

• stress (tuple[tuple[float, float, float], tuple[float, float, float], tuple[float, float, float]] | None)

model_config: ClassVar[ConfigDict] = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].