Configuration
CO_593836582770115168
| Names | xxMD-CASSCF_malonaldehyde_train_state2_6624, xxMD-CASSCF_malonaldehyde_train_state1_6624, xxMD-CASSCF_malonaldehyde_train_state0_6624, xxMD-DFT_malonaldehyde_train_6624 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_2102715916266444605 DO_1688411958508634820 DO_837581157653579729 DO_1764679466671720928 |
| ColabFit ID | CO_593836582770115168 |
| Files | colabfitspec.json |
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