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{"predicted_dict1": {"h_eq": [0.058364995714349444, 0.06391393155745115, 0.07444535507983865, 0.08262581542999746, 0.09476518930810575], "z_eq": [0.9516350042860701, 0.9460860684430508, 0.9355546449206639, 0.9273741845705067, 0.9152348106924012], "Nd_aq_eq": [0.03387952476202338, 0.08202671948101695, 0.12852391497355461, 0.17579539485683557, 0.27175642689746715], "Nd_org_eq": [0.01612166523797662, 0.017971310518983034, 0.021481785026445446, 0.02420860514316445, 0.02825506310253288], "Nd_d_eq": [0.4758527562360585, 0.21909093320673453, 0.16714231768356566, 0.13770898357650085, 0.1039720142964399]}, "in_moles": {"H2O(L)": [55.508435061791985, 55.508435061791985, 55.508435061791985, 55.508435061791985, 55.508435061791985], "H+": [0.01, 0.01, 0.01, 0.01, 0.01], "OH-": [0, 0, 0, 0, 0], "Cl-": [0.16000357, 0.30999409, 0.46001709999999996, 0.610012, 0.91003447], "Nd+++": [0.05000119, 0.09999803, 0.1500057, 0.200004, 0.30001149], "(HA)2(org)": [1.0, 1.0, 1.0, 1.0, 1.0], "dodecane": [2.997650493879708, 2.997650493879708, 2.997650493879708, 2.997650493879708, 2.997650493879708], "Nd(H(A)2)3(org)": [0.0, 0.0, 0.0, 0.0, 0.0]}, "est_enthalpy": {"(HA)2(org)_h0": {"upper_element_name": "species", "upper_attrib_name": "name", "upper_attrib_value": "Nd(H(A)2)3(org)", "lower_element_name": "h0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": "{0}", "input_value": -4704699.156668724}}, "predicted_dict2": {"h_eq": [0.08312070532256348, 0.09366629837883175, 0.10990341965038186, 0.12241262392184332, 0.14084968554653704], "z_eq": [0.9268792946777146, 0.9163337016214961, 0.900096580349945, 0.8875873760784844, 0.8691503144537928], "Nd_aq_eq": [0.025627621559238152, 0.07210926387383204, 0.11670456011664825, 0.1625331253594948, 0.25639492815126425], "Nd_org_eq": [0.02437356844076186, 0.027888766126168002, 0.033301139883351746, 0.03747087464050526, 0.04361656184873576], "Nd_d_eq": [0.9510663478630839, 0.38675704934340127, 0.2853456613012094, 0.23054300197345157, 0.1701147607062004]}, "r2": 0.9970803631106648} |