From electrons to phase diagrams with classical and machine learning potentia...
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下载链接：
https://b2find.eudat.eu/dataset/c235b70b-ee65-5336-8ff6-1757fa6df795
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资源简介：
This repository consists of two-datasets: 1. Used for fitting of the interatomic potentials 2. Free-energy calculations for the phase diagrams
