Configuration Set

xxMD-CASSCF_validation_malonaldehyde__CS_rexx7dmeb1aw_0



Name xxMD-CASSCF_validation_malonaldehyde
Extended ID xxMD-CASSCF_validation_malonaldehyde__CS_rexx7dmeb1aw_0
Description Configurations of malonaldehyde from xxMD-CASSCF_validation dataset
Elements C (33.33%)
H (44.44%)
O (22.22%)
Number of Configurations 6,965
Number of Atoms 62,685
Configurations
Datasets DS_e0nl35x6dl85_0
ColabFit ID CS_rexx7dmeb1aw_0
Files colabfitspec.json

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