Dataset for UNEP-v1

Dataset for the paper: General-purpose machine-learned potential for 16 elemental metals and their alloys UNEP-v1 = version 1 of Unified NeuroEvolution Potential as implemented in GPUMD (https://gpumd.org/) Full training data: 1-component.zip: all the 1-component training data in extended XYZ format 2-component.zip: all the 2-component training data in extended XYZ format Trained models that can be used out of the box: UNEP-v1-model-without-ZBL.txt: The NEP model without adding ZBL UNEP-v1-model-with-ZBL.txt: The NEP model with ZBL Sample input files: nep.in: Input file of GPUMD for NEP training INCAR: Input file of VASP for single-point DFT calculations