This data set contains the simulation input files, scripts, and figures data belonging to the publication Hossein Vahid, Alberto Scacchi, Maria Sammalkorpi, and Tapio Ala-Nissila. Interactions between polyelectrolytes mediated by ordering and orientation of multivalent nonspherical ions in salt solutions, Physical Review Letters 130, 158202 (2023). https://doi.org/10.1103/PhysRevLett.130.158202 Please cite the above publication when using this data set! This work was supported by the Academy of Finland through its Centres of Excellence Programme (2022-2029, LIBER) under project no. 346111 (M.S.) and Academy of Finland project No. 307806 (PolyDyna) (T.A-N.). The work was also supported by Technology Industries of Finland Centennial Foundation TT2020 grant (T.A-N.). We are grateful for the support by FinnCERES Materials Bioeconomy Ecosystem. Computational resources by CSC IT Centre for Finland and RAMI -- RawMatters Finland Infrastructure are also gratefully acknowledged.

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