Configuration
CO_15426472330896961
| Names | xxMD-CASSCF_malonaldehyde_train_state2_2601, xxMD-CASSCF_malonaldehyde_train_state1_2601, xxMD-CASSCF_malonaldehyde_train_state0_2601, xxMD-DFT_malonaldehyde_train_2601 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1070432805217290070 DO_1354962570575128402 DO_1548243011854077980 DO_1662167736636635928 |
| ColabFit ID | CO_15426472330896961 |
| Files | colabfitspec.json |
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