Configuration
CO_444111828693056883
| Names | xxMD-CASSCF_malonaldehyde_train_state2_7462, xxMD-CASSCF_malonaldehyde_train_state1_7462, xxMD-CASSCF_malonaldehyde_train_state0_7462, xxMD-DFT_malonaldehyde_train_7462 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_653757334618031816 DO_1731611511206127904 DO_1208114029772118015 DO_1605175382943802350 |
| ColabFit ID | CO_444111828693056883 |
| Files | colabfitspec.json |
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