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NEP potential training and testing files for monolayer quasi-hexagonal-phase fullerene (qHPF)

<p>This dataset contains the force-field parameter files and reference dataset&nbsp;described in the manuscript &quot;Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations&quot; (to be published).</p> <p>The format of nep.in file is compatible with the GPUMD 3.3.1 (https://github.com/brucefan1983/GPUMD/releases/tag/v3.3.1).</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
20
Reuse readiness
8
Engagement
0