Configuration
CO_96579560671680578
| Names | xxMD-CASSCF_malonaldehyde_train_state2_2672, xxMD-CASSCF_malonaldehyde_train_state1_2672, xxMD-CASSCF_malonaldehyde_train_state0_2672, xxMD-DFT_malonaldehyde_train_2672 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_274910880909184755 DO_1801504067552678524 DO_1156353313653440827 DO_2104228151149568624 |
| ColabFit ID | CO_96579560671680578 |
| Files | colabfitspec.json |
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