| { | |
| "C6H6_30_216": -231.5860191, | |
| "C2H4O_sto_3g_24_38": -151.1235697155, | |
| "C2_cc_pvdz_12_56": -75.7319604, | |
| "N2_cc_pvdz_14_56": -109.282173, | |
| "H2O_cc_pvdz_10_48": -76.2439135369, | |
| "H2O_cc_pvtz_10_116": -76.33766416831092, | |
| "Fe2S2_30_40": -116.6056091, | |
| "Fe4S4_54_72": -327.2396369, | |
| "Pcluster_114_146": -17492.21813, | |
| "FeMoCo_54_108": null, | |
| "ya_H2O_cc_pvdz_10_48": -76.2418601, | |
| "ya_C2_cc_pvdz_12_56": -75.7319604, | |
| "ya_N2_cc_pvdz_14_56": -109.2821727, | |
| "ya_Cr2_ahlrichs_vdz_48_84": -2086.443565 | |
| } | |