{"isotopologue": {"inchikey": "XYFCBTPGUUZFHI-UHFFFAOYSA-N", "inchi": "1S/H3P/h1H3", "mass_in_Da": 33.997237, "point_group": "C3v", "iso_formula": "(31P)(1H)3", "iso_slug": "31P-1H3"}, "atoms": {"number_of_atoms": 4, "element": {"P": 31, "H": 1}}, "irreducible_representations": {"A1": "8", "A2": "8", "E": "8"}, "dataset": {"name": "SYT", "version": 20170131, "doi": "", "max_temperature": 3000.0, "n_L_default": 0.53, "num_pressure_broadeners": 2, "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": 776757, "uncertainty_description": null, "uncertainties_available": null, "lifetime_available": true, "lande_g_available": false, "num_quanta": 11, "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": "tau", "desc": "Lifetime in s", "ffmt": "ES12.4", "cfmt": "%12.4e"}, {"name": "stcs:totalSym", "ffmt": "I4", "cfmt": "%4d", "desc": "Not given"}, {"name": "stcs:K", "ffmt": "I4", "cfmt": "%4d", "desc": "Not given"}, {"name": "stcs:rotSym", "ffmt": "I4", "cfmt": "%4d", "desc": "Not given"}, {"name": "stcs:l", "ffmt": "I4", "cfmt": "%4d", "desc": "Not given"}, {"name": "stcs:v1", "ffmt": "I7", "cfmt": "%7d", "desc": "v1 symmetric stretch quantum number(3)"}, {"name": "stcs:v2", "ffmt": "I4", "cfmt": "%4d", "desc": "v2 bend quantum number"}, {"name": "stcs:v3", "ffmt": "I4", "cfmt": "%4d", "desc": "v2 asymmetrics stretch quantum number"}, {"name": "stcs:v4", "ffmt": "I4", "cfmt": "%4d", "desc": "Not given"}, {"name": "stcs:l3", "ffmt": "I4", "cfmt": "%4d", "desc": "Not given"}, {"name": "stcs:l4", "ffmt": "I3", "cfmt": "%3d", "desc": "Not given"}, {"name": "stcs:vibSym", "ffmt": "I7", "cfmt": "%7d", "desc": "Not given"}]}, "transitions": {"number_of_transitions": 137255400, "number_of_transition_files": 100, "max_wavenumber": 10000.0}}, "partition_function": {"max_partition_function_temperature": 3000.0, "partition_function_step_size": 3.0}, "broad": {"default_Lorentzian_half-width": 0.075, "default_temperature_exponent": 0.53, "H2": {"filename": "31P-1H3__H2.broad", "max_J": 16, "Lorentzian_half_width": 0.0888, "temperature_exponent": 0.75, "num_quantum_number_sets": 3, "quantum_number_sets": [{"code": "a2", "num_lines": 1, "num_quantum_numbers": 2, "quantum_numbers": ["K\"", "J'"]}, {"code": "a1", "num_lines": 68, "num_quantum_numbers": 1, "quantum_numbers": ["K\""]}, {"code": "a0", "num_lines": 17, "num_quantum_numbers": 0, "quantum_numbers": []}]}, "He": {"filename": "31P-1H3__He.broad", "max_J": 15, "Lorentzian_half_width": 0.0452, "temperature_exponent": 0.3, "num_quantum_number_sets": 3, "quantum_number_sets": [{"code": "a2", "num_lines": 1, "num_quantum_numbers": 2, "quantum_numbers": ["K\"", "J'"]}, {"code": "a1", "num_lines": 76, "num_quantum_numbers": 1, "quantum_numbers": ["K\""]}, {"code": "a0", "num_lines": 15, "num_quantum_numbers": 0, "quantum_numbers": []}]}}}