Data for "Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential"

Abstract

This data set contains: 1. Trajectories of glass and liquid Ge2Sb2Te5 models generated with the GAP. There are 5 models labeled 001-005 of 315 atoms and one large model of 7,200 atoms labeled 7K. 2. Structural analysis data including: radial distribution functions, rings, voids, tetrahedral angular order parameters. 3. The inter-atomic potential used to carry out the simulations. 4. The crystallization trajectory of one of the GAP models is provided separately due to the size

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