Calculated Properties
PO_2409713999055536273658918
Types |
energy atomic_forces |
---|---|
Configuration | CO_8091713941189736897525110 |
Configuration Names |
xxMD-CASSCF_dithiophene_val_state2_5258 xxMD-CASSCF_dithiophene_val_state1_5258 xxMD-CASSCF_dithiophene_val_state0_5258 xxMD-DFT_dithiophene_val_5258 |
ColabFit ID | PO_2409713999055536273658918 |
Files | colabfitspec.json |
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