Configuration
CO_780792271277095110
| Names | xxMD-CASSCF_malonaldehyde_train_state2_4654, xxMD-CASSCF_malonaldehyde_train_state1_4654, xxMD-CASSCF_malonaldehyde_train_state0_4654, xxMD-DFT_malonaldehyde_train_4654 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1196768213980305706 DO_319645232420308967 DO_361994134143394010 DO_50286442451553220 |
| ColabFit ID | CO_780792271277095110 |
| Files | colabfitspec.json |
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