{
    "isotopologue": {
        "iso_formula": "(32S)(16O)2",
        "iso_slug": "32S-16O2",
        "inchi": "InChI=1S/O2S/c1-3-2",
        "inchikey": "RAHZWNYVWXNFOC-UHFFFAOYSA-N",
        "cas_registry_number": "7446-09-05",
        "mass_in_Da": 63.96190024,
        "point_group": "C2v"
    },
    "atoms": {
        "number_of_atoms": 3,
        "element": {
            "S": 32,
            "O": 16
        }
    },
    "irreducible_representations": {
        "A1": 1,
        "A2": 1,
        "B1": 0,
        "B2": 0
    },
    "dataset": {
        "name": "ExoAmes",
        "version": 20170131,
        "doi": "10.5281/zenodo.5716834",
        "max_temperature": 2000.0,
        "num_pressure_broadeners": 2,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 3270271,
            "max_energy": 8000.0,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": true,
            "lifetime_available": true,
            "lande_g_available": false,
            "quantum_case_label": "asymcs",
            "num_quanta": 6,
            "num_quantum_types": 1,
            "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": "+/-",
                    "ffmt": "A1",
                    "cfmt": "%1s",
                    "desc": "Total parity: '+' or '-'"
                },
                {
                    "name": "Herzberg:v1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "v1 symmetric stretch quantum number(3)"
                },
                {
                    "name": "Herzberg:v2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "v2 bend quantum number"
                },
                {
                    "name": "Herzberg:v3",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "v3 asymmetrics stretch quantum number"
                },
                {
                    "name": "Herzberg:Ka",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Ka rotational quantum number"
                },
                {
                    "name": "Herzberg:Kc",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Kc rotational quantum number"
                },
                {
                    "name": "Auxiliary:Ecal",
                    "ffmt": "F12.6",
                    "cfmt": "%12.6f",
                    "desc": "Calculated energy in cm-1"
                },
                {
                    "name": "Auxiliary:SourceType",
                    "ffmt": "A2",
                    "cfmt": "%2s",
                    "desc": "Ma=MARVEL,Ca=Calculated,EH=Effective Hamiltonian,IE=Isotopologue extrapolation"
                }
            ]
        },
        "transitions": {
            "number_of_transitions": 1300000000,
            "number_of_transition_files": 80,
            "max_wavenumber": 8000.0
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 2000.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.1063,
        "default_temperature_exponent": 0.695,
        "H2": {
            "filename": "32S-16O2__H2.broad",
            "max_J": 60,
            "Lorentzian_half_width": 0.14,
            "temperature_exponent": 0.75,
            "num_quantum_number_sets": 2,
            "quantum_number_sets": [
                {
                    "code": "a5",
                    "num_lines": 41,
                    "num_quantum_numbers": 5,
                    "quantum_numbers": [
                        "Ka\"",
                        "Kc\"",
                        "J'",
                        "Ka'",
                        "Kc'"
                    ]
                },
                {
                    "code": "a0",
                    "num_lines": 61,
                    "num_quantum_numbers": 0,
                    "quantum_numbers": []
                }
            ]
        },
        "He": {
            "filename": "32S-16O2__He.broad",
            "max_J": 60,
            "Lorentzian_half_width": 0.07,
            "temperature_exponent": 0.64,
            "num_quantum_number_sets": 2,
            "quantum_number_sets": [
                {
                    "code": "a5",
                    "num_lines": 40,
                    "num_quantum_numbers": 5,
                    "quantum_numbers": [
                        "Ka\"",
                        "Kc\"",
                        "J'",
                        "Ka'",
                        "Kc'"
                    ]
                },
                {
                    "code": "a0",
                    "num_lines": 61,
                    "num_quantum_numbers": 0,
                    "quantum_numbers": []
                }
            ]
        }
    }
}