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Structured Data for Density Functional Theory Model

Below, the user can find an example JSON structured representation for the Density Functional Theory Model.

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{
    "$id": "models-category/pb/qm/dft/ksdft",
    "$schema": "http://json-schema.org/draft-07/schema#",
    "title": "Kohn-Sham DFT category schema",
    "type": "object",
    "allOf": [
        {
            "$ref": "../dft.json"
        }
    ],
    "properties": {
        "type": {
            "$ref": "enum_options.json#/kohnSham"
        }
    }
}
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{
    "tier1": "pb",
    "tier2": "qm",
    "tier3": "dft",
    "type": "ksdft"
}