Calculated Properties
PO_6252376473381927952985963
| Types |
energy atomic_forces |
|---|---|
| Configuration | CO_1266215318521019052663300 |
| Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_2901 xxMD-CASSCF_malonaldehyde_test_state1_2901 xxMD-CASSCF_malonaldehyde_test_state0_2901 xxMD-DFT_malonaldehyde_test_2901 |
| ColabFit ID | PO_6252376473381927952985963 |
| Files | colabfitspec.json |
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