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from pydantic import ConfigDict, BaseModel, Field
from datetime import datetime
from typing import Optional
class VolumetricDataDoc(BaseModel):
"""
Volumetric data metadata for selected materials.
"""
fs_id: Optional[str] = Field(
None, description="Unique object ID for the charge density data."
)
last_updated: Optional[datetime] = Field(
None,
description="Timestamp for the most recent update to the charge density data.",
)
task_id: Optional[str] = Field(
None,
description="The Materials Project ID of the calculation producing the charge density data. "
"This comes in the form: mp-******.",
)
model_config = ConfigDict(extra="allow")
class ChgcarDataDoc(VolumetricDataDoc):
"""
Electron charge density metadata for selected materials.
"""
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