optimade_test_config.json

{
    "debug": false,
    "use_real_mongo": true,
    "mongo_database": "crystals",
    "mongo_uri": "/tmp/mongodb-27017.sock",
    "links_collection": "links_test",
    "references_collection": "references_test",
    "structures_collection": "structures_test",
    "default_db": "odbx",
    "base_url": "https://optimade-test.odbx.science",
    "implementation": {
        "name": "optimade-python-tools (modified for odbx.science)",
        "source_url": "https://github.com/ml-evs/odbx.science",
        "maintainer": {"email": "web@odbx.science"},
        "version": "0.1"
    },
    "provider": {
        "name": "Open Database of Xtals",
        "description": "The Open Database of Xtals is run by the group of Dr Andrew Morris at the universities of Birmingham and Cambridge and is constructed using the matador library.",
        "prefix": "odbx",
        "homepage": "https://odbx.science"
    },
    "provider_fields": {
        "structures": [
            "lattice_abc",
            "hamiltonian",
            "thermodynamics",
            "dft_parameters",
            "formation_energy",
            "space_group",
            "submitter",
            "stress",
            "stress_tensor",
            "forces",
            "max_force_on_atom",
            "tags",
            "cell_volume",
            "fractional_site_positions",
            "calculator",
            "calculation_date"
        ]
    }
}