Calculated Properties
PO_1966119585826194601811189
| Types |
energy atomic_forces |
|---|---|
| Configuration | CO_1109922571747452651504197 |
| Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_4624 xxMD-CASSCF_malonaldehyde_test_state1_4624 xxMD-CASSCF_malonaldehyde_test_state0_4624 xxMD-DFT_malonaldehyde_test_4624 |
| ColabFit ID | PO_1966119585826194601811189 |
| Files | colabfitspec.json |
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