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from typing import Dict, List, Optional
from pydantic import BaseModel, Field
class EOSDoc(BaseModel):
"""
Fitted equations of state and energies and volumes used for fits.
"""
energies: Optional[List[float]] = Field(
None,
description="Common energies in eV/atom that the equations of state are plotted with.",
)
volumes: Optional[List[float]] = Field(
None,
description="Common volumes in A³/atom that the equations of state are plotted with.",
)
eos: Optional[Dict] = Field(
None,
description="Data for each type of equation of state.",
)
material_id: Optional[str] = Field(
None,
description="The Materials Project ID of the material. This comes in the form: mp-******.",
)
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