Calculated Properties
PO_1949791622184394381781309
| Types |
energy atomic_forces |
|---|---|
| Configuration | CO_3719153889102018918986469 |
| Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_837 xxMD-CASSCF_malonaldehyde_test_state1_837 xxMD-CASSCF_malonaldehyde_test_state0_837 xxMD-DFT_malonaldehyde_test_837 |
| ColabFit ID | PO_1949791622184394381781309 |
| Files | colabfitspec.json |
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