Configuration Set

SPICE DES Monomers Single Points Dataset v1.1__CS_1w2k710t3mwo_0




Name SPICE DES Monomers Single Points Dataset v1.1
Extended ID SPICE DES Monomers Single Points Dataset v1.1__CS_1w2k710t3mwo_0
Description Configurations in the SPICE dataset from DES Monomers Single Points Dataset v1.1
Elements C (26.4%)
H (57.03%)
N (4.62%)
O (7.32%)
Cl (0.77%)
F (1.35%)
Br (0.58%)
S (1.73%)
P (0.19%)
Number of Configurations 1,950
Number of Atoms 25,950
Configurations
Datasets DS_kg0dv12aiq97_0
ColabFit ID CS_1w2k710t3mwo_0
Files colabfitspec.json

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