{"isotopologue": {"inchikey": "LELOWRISYMNNSU-NMHUKANLSA-N", "mass_in_Da": 28.014254, "point_group": "C", "iso_formula": "(1H)(13C)(14N)", "iso_slug": "1H-13C-14N"}, "atoms": {"number_of_atoms": 3, "element": {"H": 1, "C": 13, "N": 14}}, "irreducible_representations": {"Sigma+": "6", "Sigma-": "6"}, "dataset": {"name": "Larner", "version": 20160726, "doi": "", "max_temperature": 4000.0, "n_L_default": 0.5, "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": 168110, "max_energy": null, "uncertainty_description": null, "uncertainties_available": null, "lifetime_available": false, "lande_g_available": false, "num_quanta": 8, "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": "ltcs:+/-", "ffmt": "", "cfmt": "", "desc": "Parity"}, {"name": "ltcs:e/f", "ffmt": "", "cfmt": "", "desc": "Rotationless-parity"}, {"name": "ltcs:iso", "ffmt": "I1", "cfmt": "%1d", "desc": "iso=0 for HCN, iso=1 for HNC, where known"}, {"name": "ltcs:v1", "ffmt": "I3", "cfmt": "%3d", "desc": "v1 vibrational quantum number"}, {"name": "ltcs:v2", "ffmt": "I3", "cfmt": "%3d", "desc": "v2 vibrational quantum number"}, {"name": "ltcs:l2", "ffmt": "I3", "cfmt": "%3d", "desc": "l2 vibrational angular momentum quantum number"}, {"name": "ltcs:v3", "ffmt": "I3", "cfmt": "%3d", "desc": "v3 vibrational quantum number"}]}, "transitions": {"number_of_transitions": 34179477, "number_of_transition_files": 1, "max_wavenumber": 17595.8}}, "partition_function": {"max_partition_function_temperature": 4000.0, "partition_function_step_size": 1.0}, "broad": {"default_Lorentzian_half-width": 0.07, "default_temperature_exponent": 0.5}}