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Extended ID Si_PRX_GAP_BartokKermodeBernsteinCsanyi__DS_u9wd92plbetq_0
Description The original DFT training data for the general-purpose silicon interatomic potential described in the associated publication. The kinds of configuration that we include are chosen using intuition and past experience to guide what needs to be included to obtain good coverage pertaining to a range of properties.
Authors Albert P. Bartók
James Kermode
Noam Bernstein
Gábor Csányi
DOI 10.60732/8e9bc5b0

Cite as: Bartók, A. P., Kermode, J., Bernstein, N., and Csányi, G. "Si PRX GAP." ColabFit, 2023.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Si (100.0%)
Number of Data Objects 2,472
Number of Configurations 2,472
Number of Atoms 171,164
Configuration Sets by Name
Configuration Sets by ID
Data Objects
ColabFit ID DS_u9wd92plbetq_0
Files colabfitspec.json

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