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Supplementary initial and final MD configurations for the manuscript: General-purpose machine-learned potential for 16 elemental metals and their alloys

<p>Extended XYZ files for the initial and final configurations of the molecular dynamics simulations from the article 'General-purpose machine-learned potential for 16 elemental metals and their alloys' (https://arxiv.org/abs/2311.04732).</p> <p><span>The Supplementary Data is contained in the folder named:<br>1) Polycrystalline-MoTaVW: <span>&nbsp;</span>The plasticity MD simulations in multi-principal element alloys.</span></p> <p><span>2) MoTaVW-radiation: The primary radiation damage MD simulations in multi-principal element alloys.</span></p> <p><span>3) Goldene: Comparisons between UNEP-v1 and EAM models in MD simulations.</span></p> <p><span>4) NiAlMo: Comparisons between UNEP-v1 and EAM models in MCMD simulations.<br>5) AlCrCuNiV: Comparisons between UNEP-v1 and EAM models in MCMD simulations.</span></p>

ShareScore

32/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
0

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