Calculated Properties
PO_3734561842969655369394226
| Types |
energy atomic_forces |
|---|---|
| Configuration | CO_2479581376038442224932184 |
| Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_4147 xxMD-CASSCF_malonaldehyde_test_state1_4147 xxMD-CASSCF_malonaldehyde_test_state0_4147 xxMD-DFT_malonaldehyde_test_4147 |
| ColabFit ID | PO_3734561842969655369394226 |
| Files | colabfitspec.json |
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