Configuration
CO_17233850693485512
| Names | xxMD-CASSCF_malonaldehyde_train_state2_3086, xxMD-CASSCF_malonaldehyde_train_state1_3086, xxMD-CASSCF_malonaldehyde_train_state0_3086, xxMD-DFT_malonaldehyde_train_3086 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_954903666061806000 DO_1434723996397280597 DO_1663411561842689640 DO_92570986178795595 |
| ColabFit ID | CO_17233850693485512 |
| Files | colabfitspec.json |
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