Research data supporting "Quench-rate and size-dependent behaviour in glassy Ge2Sb2Te5 models simulated with a machine-learned Gaussian Approximation Potential"
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Description
Dataset contains atomic configurations discussed in the paper and post-processed raw data of the structural analysis.
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Software / Usage instructions
The atomic configurations were generated using molecular dynamics
carried out with the LAMMPS (https://lammps.sandia.gov/) code and the corresponding QUIP interface.
Structural analysis was carried using python scripts and the ASE (https://wiki.fysik.dtu.dk/ase/) and quippy (https://libatoms.github.io/QUIP/) libraries. The csv files themselves were generated with the pandas (https://pandas.pydata.org/) library.
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Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
Sponsorship
EPSRC (1502879)