Configuration
CO_470265573714422113
| Names | xxMD-CASSCF_malonaldehyde_train_state2_13395, xxMD-CASSCF_malonaldehyde_train_state1_13395, xxMD-CASSCF_malonaldehyde_train_state0_13395, xxMD-DFT_malonaldehyde_train_13395 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1721209992243341230 DO_1418717573912098583 DO_2049399877431575841 DO_808618566035434082 |
| ColabFit ID | CO_470265573714422113 |
| Files | colabfitspec.json |
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