NEP potential training and testing files for quasi-hexagonal-phase fullerene (QHPF) and face-centered-cubic bulk-phase fullerene (BPF)

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https://zenodo.org/record/6972674

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资源简介：

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). The format of nep.in file is compatible with the GPUMD 3.3.1 (https://github.com/brucefan1983/GPUMD/releases/tag/v3.3.1).

创建时间：

2022-08-08