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

This dataset contains the force-field parameter files and reference dataset described in the manuscript "Atomistic insights into the mechanical anisotropy and fragility of monolayer fullerene networks using quantum mechanical calculations and machine-learning molecular dynamics simulations" (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).