Supplementary data: Universal radiation tolerant semiconductor
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资源简介：
(1) beta_run.zip and gamma_run.zip: Machine-learning molecular dynamics (ML-MD) simulations of Frenkel pair generation in beta and gamma cells; Raw atomic data in LAMMPS dump file format. (2) beta_gamma_RDF_PRDF.zip: Radial distribution functions (RDFs) and pair-wise partial radial distribution functions (PRDFs) of the ML-MD runs. (3) AIMD_run.zip: Ab initio molecular dynamics (AI-MD) simulations of chemical effect of the foreign ions; Raw atomic data in extxyz file format (4) AIMD_PRDF_BADF.zip: PRDFs and bond angle distribution functions (BADFs) of the AI-MD runs. <br>
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Zhao, Junlei创建时间：
2023-07-03
