Configuration
CO_66621205626345941
| Names | xxMD-CASSCF_malonaldehyde_train_state2_4552, xxMD-CASSCF_malonaldehyde_train_state1_4552, xxMD-CASSCF_malonaldehyde_train_state0_4552, xxMD-DFT_malonaldehyde_train_4552 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_376119418044446336 DO_1063259646002674559 DO_70369123831829964 DO_1798268825498681776 |
| ColabFit ID | CO_66621205626345941 |
| Files | colabfitspec.json |
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