OUTCAR dataset for machine learning potential about a h-BN growth on Pt(111) surface

<p>The growth of monolayer h-BN from boron and nitrogen atoms on Pt(111) is&nbsp;investigated using molecular dynamics combined with machine-learning&nbsp;potentials trained based on first-principles data. The MD simulation can be performed to investigate the h-BN growth on the Pt(111) surface. The training dataset and machine learning potential&nbsp;have&nbsp;been made by the active learning method&nbsp;[1].</p> <p>&nbsp;</p> <p>[1] L. Zhang, D.-Y. Lin, H. Wang, R. Car, E. Weinan, Active learning of uniformly accurate interatomic&nbsp;potentials for materials simulation, Physical Review Materials 3 (2019) 023804.</p>