Calculated Properties
PO_6409048934559333968226411
| Types |
energy atomic_forces |
|---|---|
| Configuration | CO_6617487739745141474584750 |
| Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_226 xxMD-CASSCF_malonaldehyde_test_state1_226 xxMD-CASSCF_malonaldehyde_test_state0_226 xxMD-DFT_malonaldehyde_test_226 |
| ColabFit ID | PO_6409048934559333968226411 |
| Files | colabfitspec.json |
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