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Extended ID Si_PRX_GAP_BartokKermodeBernsteinCsanyi__DS_y23xph41frx2_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
Elements Si (100.0%)
Number of Data Objects 2,471
Number of Configurations 2,471
Number of Atoms 171,018
Configuration Sets by Name
Configuration Sets by ID
Data Objects
ColabFit ID DS_y23xph41frx2_0
Files colabfitspec.json

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