Calculated Properties
PO_3789845906613043567454265
| Types |
energy atomic_forces |
|---|---|
| Configuration | CO_1814763806672997065991276 |
| Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_3182 xxMD-CASSCF_malonaldehyde_test_state1_3182 xxMD-CASSCF_malonaldehyde_test_state0_3182 xxMD-DFT_malonaldehyde_test_3182 |
| ColabFit ID | PO_3789845906613043567454265 |
| Files | colabfitspec.json |
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