Calculated Properties
PO_1181026737219474338650636
Types |
energy atomic_forces |
---|---|
Configuration | CO_9141099265709097433798428 |
Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_4792 xxMD-CASSCF_malonaldehyde_test_state1_4792 xxMD-CASSCF_malonaldehyde_test_state0_4792 xxMD-DFT_malonaldehyde_test_4792 |
ColabFit ID | PO_1181026737219474338650636 |
Files | colabfitspec.json |
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