10.60732/8e9bc5b0

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Si_PRX_GAP Dataset

Albert P. Bartók, James Kermode, Noam Bernstein, Gábor Csányi,
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.

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