Configuration Set

q-AQUA_3-body__CS_zdrrndzkz1f0_0




Name q-AQUA_3-body
Extended ID q-AQUA_3-body__CS_zdrrndzkz1f0_0
Description 3-body, BSSE-corrected CCSD(T)-F12a/aVTZ interaction energies from q-AQUA
Elements H (66.67%)
O (33.33%)
Number of Configurations 44,709
Number of Atoms 402,381
Configurations
Datasets DS_p9qjlc9l8scx_0
ColabFit ID CS_zdrrndzkz1f0_0
Files colabfitspec.json

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