Configuration
CO_185097441910827
| Names | xxMD-CASSCF_malonaldehyde_train_state2_5730, xxMD-CASSCF_malonaldehyde_train_state1_5730, xxMD-CASSCF_malonaldehyde_train_state0_5730, xxMD-DFT_malonaldehyde_train_5730 |
|---|---|
| Chemical Formula Hill | C3H4O2 |
| Configuration Sets | |
| Data Objects |
DO_1928186647048578878 DO_1278158153759273340 DO_886699894213129865 DO_1684114975173898060 |
| ColabFit ID | CO_185097441910827 |
| Files | colabfitspec.json |
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