Configuration Set

xxMD-CASSCF_train_malonaldehyde__CS_s1iquqj142g8_0



Name xxMD-CASSCF_train_malonaldehyde
Extended ID xxMD-CASSCF_train_malonaldehyde__CS_s1iquqj142g8_0
Description Configurations of malonaldehyde from xxMD-CASSCF_train dataset
Elements C (33.33%)
H (44.44%)
O (22.22%)
Number of Configurations 14,000
Number of Atoms 126,000
Configurations
Datasets DS_qvljl3vtdp0f_0
ColabFit ID CS_s1iquqj142g8_0
Files colabfitspec.json

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