Calculated Properties
PO_1767732684157112451524383
Types |
energy atomic_forces |
---|---|
Configuration | CO_5797456100847397287503174 |
Configuration Names |
xxMD-CASSCF_malonaldehyde_test_state2_2974 xxMD-CASSCF_malonaldehyde_test_state1_2974 xxMD-CASSCF_malonaldehyde_test_state0_2974 xxMD-DFT_malonaldehyde_test_2974 |
ColabFit ID | PO_1767732684157112451524383 |
Files | colabfitspec.json |
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