Dataset

W_PRB2019



Download Dataset XYZ file

Name W_PRB2019
Extended ID W_PRB2019_ByggmastarHamedaniNordlundDjurabekova__DS_gh9s2sopu064_0
Description This dataset was originally designed to fit a GAP potential with a specific focus on properties relevant for simulations of radiation-induced collision cascades and the damage they produce, including a realistic repulsive potential for short-range many-body cascade dynamics and a good description of the liquid phase.
Authors Jesper Byggmästar
Ali Hamedani
Kai Nordlund
Flyura Djurabekova
Elements W (100.0%)
Number of Data Objects 3,528
Number of Configurations 3,528
Number of Atoms 42,068
Links https://doi.org/10.1103/PhysRevB.100.144105
https://gitlab.com/acclab/gap-data/-/tree/master/W/2019-05-24
Configuration Sets by Name
Configuration Sets by ID
Data Objects
ColabFit ID DS_gh9s2sopu064_0
Files colabfitspec.json

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