Configuration

CO_7929692910602941557436054




Chemical Formula Hill C12H10N2
Configuration Sets CS_b5o2eqszavli_0
CS_tilb6xee23xc_0
Calculated Properties PO_1293218259820884208409088
PO_4120499218696408579945182
PO_5658946879351304009573281
PO_8065769992819032740563180
ColabFit ID CO_7929692910602941557436054
Names xxMD-CASSCF_azobenzene_train_state2_2238
xxMD-CASSCF_azobenzene_train_state1_2238
xxMD-CASSCF_azobenzene_train_state0_2238
xxMD-DFT_azobenzene_train_2234
Files colabfitspec.json

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