GruneisenDerivedProperties

class atomate2.common.schemas.gruneisen.GruneisenDerivedProperties(*, average_gruneisen=None, thermal_conductivity_slack=None)

Bases: BaseModel

Collection of data derived from the Grueneisen workflow.

Parameters:

• average_gruneisen (float | None)

• thermal_conductivity_slack (float | None)

model_config = {}

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