{
    "isotopologue": {
        "iso_formula": "(16O)(12C)(32S)",
        "iso_slug": "16O-12C-32S",
        "inchi": "InChI=1S/COS/c2-1-3/i1+0,2+0,3+0",
        "inchikey": "JJWKPURADFRFRB-SXRZRGFPSA-N",
        "cas_registry_number": "463-58-1",
        "mass_in_Da": 59.96698562,
        "point_group": "C"
    },
    "atoms": {
        "number_of_atoms": 3,
        "element": {
            "O": 16,
            "C": 12,
            "S": 32
        }
    },
    "irreducible_representations": {
        "Sigma+": 6,
        "Sigma-": 6
    },
    "dataset": {
        "name": "OYT8",
        "version": 20240425,
        "doi": "10.1093/mnras/stae1110",
        "max_temperature": 2000.0,
        "num_pressure_broadeners": 2,
        "cooling_function_available": false,
        "specific_heat_available": true,
        "continuum": false,
        "states": {
            "number_of_states": 2399110,
            "max_energy": 19999.56,
            "hyperfine_resolved_dataset": false,
            "uncertainty_description": null,
            "uncertainties_available": true,
            "lifetime_available": true,
            "lande_g_available": false,
            "quantum_case_label": "lpcs",
            "num_quanta": 12,
            "num_quantum_types": 2,
            "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": "Grve",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Total (rovibronic) symmetry"
                },
                {
                    "name": "Herzberg:v1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Symmetric stretching v1 mode vibrational quantum number"
                },
                {
                    "name": "Herzberg:v2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Bending v2 mode vibrational quantum number"
                },
                {
                    "name": "Herzberg:L2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Vibrational angular momentum quantum number L2 = |l2| associated with v2 mode"
                },
                {
                    "name": "Herzberg:v3",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "Antisymmetric stretching v3 mode vibrational quantum number"
                },
                {
                    "name": "e/f",
                    "ffmt": "A1",
                    "cfmt": "%1s",
                    "desc": "Rotationless-parity"
                },
                {
                    "name": "TROVE:Gvib",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Vibrational symmetry"
                },
                {
                    "name": "TROVE:Grot",
                    "ffmt": "A3",
                    "cfmt": "%3s",
                    "desc": "Rotational symmetry"
                },
                {
                    "name": "TROVE:Coef",
                    "ffmt": "F5.2",
                    "cfmt": "%5.2f",
                    "desc": "Coefficient with the largest contribution"
                },
                {
                    "name": "TROVE:n1",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE vibrational quantum numbers"
                },
                {
                    "name": "TROVE:n2",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE vibrational quantum numbers"
                },
                {
                    "name": "TROVE:n3",
                    "ffmt": "I2",
                    "cfmt": "%2d",
                    "desc": "TROVE vibrational quantum numbers"
                },
                {
                    "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": 2482188185,
            "number_of_transition_files": 10,
            "max_wavenumber": 10000.0
        }
    },
    "partition_function": {
        "max_partition_function_temperature": 5000.0,
        "partition_function_step_size": 1.0
    },
    "broad": {
        "default_Lorentzian_half-width": 0.07,
        "default_temperature_exponent": 0.5,
        "H2": {
            "filename": "16O-12C-32S__H2.broad",
            "max_J": 121,
            "Lorentzian_half_width": 0.0525,
            "temperature_exponent": 0.75,
            "num_quantum_number_sets": 1,
            "quantum_number_sets": [
                {
                    "code": "a0",
                    "num_lines": 121,
                    "num_quantum_numbers": 8,
                    "quantum_numbers": [
                        "v1'",
                        "v2'",
                        "L2'",
                        "v3'",
                        "v1\"",
                        "v2\"",
                        "L2\"",
                        "v3\""
                    ]
                }
            ]
        },
        "He": {
            "filename": "16O-12C-32S__He.broad",
            "max_J": 121,
            "Lorentzian_half_width": 0.0383,
            "temperature_exponent": 0.75,
            "num_quantum_number_sets": 1,
            "quantum_number_sets": [
                {
                    "code": "a0",
                    "num_lines": 121,
                    "num_quantum_numbers": 8,
                    "quantum_numbers": [
                        "v1'",
                        "v2'",
                        "L2'",
                        "v3'",
                        "v1\"",
                        "v2\"",
                        "L2\"",
                        "v3\""
                    ]
                }
            ]
        }
    }
}