FittingData

class atomate2.common.schemas.elastic.FittingData(*, cauchy_stresses=None, strains=None, pk_stresses=None, deformations=None, uuids=None, job_dirs=None, failed_uuids=None)

Bases: BaseModel

Data used to fit elastic tensors.

Parameters:

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

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

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

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

• uuids (list[str] | None)

• job_dirs (list[str | None] | None)

• failed_uuids (list[str] | None)

model_config = {}

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