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Name HO_LiMoNiTi_NPJCM_2020_water_clusters
Extended ID HO_LiMoNiTi_NPJCM_2020_water_clusters_CooperKastnerUrbanArtrith__DS_or3nu4t64mvk_0
Description Configurations of water clusters from HO_LiMoNiTi_NPJCM_2020 used in the training of an ANN, whereby total energy is extrapolated by a Taylor expansion as a means of reducing computational costs.
Authors April M. Cooper
Johannes Kästner
Alexander Urban
Nongnuch Artrith
DOI 10.60732/b633b325

Cite as: Cooper, A. M., Kästner, J., Urban, A., and Artrith, N. "HO LiMoNiTi NPJCM 2020 water clusters." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements H (66.67%)
O (33.33%)
Number of Data Objects 1,848
Number of Configurations 1,848
Number of Atoms 33,264
Configuration Sets by Name (None)
Configuration Sets by ID (None)
Data Objects
ColabFit ID DS_or3nu4t64mvk_0
Files colabfitspec.json

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