FittingData#

pydantic model atomate2.common.schemas.elastic.FittingData[source]#

Data used to fit elastic tensors.

field cauchy_stresses: List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]] = None#

The Cauchy stresses used to fit the elastic tensor.

field strains: List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]] = None#

The strains used to fit the elastic tensor.

field pk_stresses: List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]] = None#

The Piola-Kirchoff stresses used to fit the elastic tensor.

field deformations: List[Tuple[Tuple[float, float, float], Tuple[float, float, float], Tuple[float, float, float]]] = None#

The deformations corresponding to each strain state.

field uuids: List[str] = None#

The uuids of the deformation jobs.

field job_dirs: List[str] = None#

The directories where the deformation jobs were run.