{"isotopologue": {"inchikey": "HLMARYJDZMOJJC-HQMMCQRPSA-N", "mass_in_Da": 63.947441, "point_group": "C", "iso_formula": "(27Al)(37Cl)", "iso_slug": "27Al-37Cl"}, "atoms": {"number_of_atoms": 2, "element": {"Al": 27, "Cl": 37}}, "irreducible_representations": {"Sigma+": "24", "Sigma-": "24"}, "dataset": {"name": "MoLLIST-AlCl", "version": 20180713, "doi": "", "max_temperature": 5000.0, "n_L_default": null, "num_pressure_broadeners": 0, "nxsec_files": 0, "nkcoeff_files": 0, "dipole_available": false, "cooling_function_available": false, "specific_heat_available": null, "continuum": null, "predis": null, "states": {"number_of_states": 2423, "max_energy": 13183.28947, "uncertainty_description": null, "uncertainties_available": null, "lifetime_available": false, "lande_g_available": false, "num_quanta": 1, "states_file_fields": [{"name": "StateID", "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": "g_tot", "desc": "Total energy level degeneracy", "ffmt": "I6", "cfmt": "%6d"}, {"name": "J", "desc": "Total rotational quantum number, excluding nuclear spin", "ffmt": "I7/F7.1", "cfmt": "%7d/%7.1f"}, {"name": "dcs:v", "ffmt": "I6", "cfmt": "%6d", "desc": "State vibrational quantum number"}]}, "transitions": {"number_of_transitions": 20245, "number_of_transition_files": 1, "max_wavenumber": 2326.97675}}, "partition_function": {"max_partition_function_temperature": 5000.0, "partition_function_step_size": 1.0}, "broad": {"default_Lorentzian_half-width": null, "default_temperature_exponent": null}}