zenodoopen
NEP potential training and testing files for quasi-hexagonal-phase fullerene (QHPF) and face-centered-cubic bulk-phase fullerene (BPF)
<p>This dataset contains the force-field parameter files and reference dataset described in the manuscript "Anisotropic and high thermal conductivity in monolayer quasi-hexagonal fullerene: A comparative study against bulk phase fullerene" (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
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0