{
    "isotopologue": {
        "iso_formula": "(41K)(35Cl)",
        "iso_slug": "41K-35Cl",
        "inchi": "InChI=1S/ClH.K/h1H;/q;+1/p-1/i1+0;1+2",
        "inchikey": "WCUXLLCKKVVCTQ-WMSMEIEASA-M",
        "mass_in_Da": 75.93067844,
        "point_group": "C"
    },
    "atoms": {
        "number_of_atoms": 2,
        "element": {
            "K": 41,
            "Cl": 35
        }
    },
    "irreducible_representations": {
        "Sigma+": 1,
        "Sigma-": 1
    },
    "dataset": {
        "name": "Barton",
        "version": 20160726,
        "doi": "10.5281/zenodo.5716981",
        "max_temperature": 3000.0,
        "num_pressure_broadeners": 0,
        "cooling_function_available": false,
        "specific_heat_available": false,
        "continuum": false,
        "states": {
            "number_of_states": 60741,
            "max_energy": 20000.0,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": true,
            "lifetime_available": true,
            "lande_g_available": false,
            "quantum_case_label": "dcs",
            "num_quanta": 1,
            "num_quantum_types": 0,
            "states_file_fields": [
                {
                    "name": "ID",
                    "desc": "Unique integer identifier for the energy level",
                    "ffmt": "I12",
                    "cfmt": "%12d"
                },
                {
                    "name": "E",
                    "desc": "State energy in cm-1",
                    "ffmt": "F12.6",
                    "cfmt": "%12.6f"
                },
                {
                    "name": "gtot",
                    "desc": "Total energy level degeneracy",
                    "ffmt": "I6",
                    "cfmt": "%6d"
                },
                {
                    "name": "J",
                    "desc": "Total rotational quantum number, excluding nuclear spin",
                    "ffmt": "I7",
                    "cfmt": "%7d"
                },
                {
                    "name": "unc",
                    "desc": "Energy uncertainty in cm-1",
                    "ffmt": "F12.6",
                    "cfmt": "%12.6f"
                },
                {
                    "name": "tau",
                    "desc": "Lifetime in s",
                    "ffmt": "ES12.4",
                    "cfmt": "%12.4e"
                },
                {
                    "name": "v",
                    "ffmt": "I3",
                    "cfmt": "%3d",
                    "desc": "Vibrational quantum number"
                }
            ]
        },
        "transitions": {
            "number_of_transitions": 1326765,
            "number_of_transition_files": 1,
            "max_wavenumber": 2894.99
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 3000.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.07,
        "default_temperature_exponent": 0.5
    }
}