Calculated Properties
PO_7065376173714700573763577
Types |
energy atomic_forces |
---|---|
Configuration | CO_9001190848870332388437624 |
Configuration Names |
xxMD-CASSCF_malonaldehyde_val_state2_2312 xxMD-CASSCF_malonaldehyde_val_state1_2312 xxMD-CASSCF_malonaldehyde_val_state0_2312 xxMD-DFT_malonaldehyde_val_2312 |
ColabFit ID | PO_7065376173714700573763577 |
Files | colabfitspec.json |
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