Data for "Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential"
This data set contains:
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.
Structural analysis data including: radial distribution functions, rings, voids, tetrahedral angular order parameters.
The inter-atomic potential used to carry out the simulations.
The crystallization trajectory of one of the GAP models is provided separately due to the size.