This dataset accompanies the manuscript by H. Pan and J. Dshemuchadse, ``Kinetic pathways of solid--solid phase transitions dictated by short-range interactions'' Proc. Natl. Acad. Sci. USA (2025). In this study, we determine three distinct transformation pathways from body-centered cubic (bcc) to face-centered cubic (fcc) crystal structures upon cooling in minimal, one-component systems governed by isotropic pair potentials. These include: (1) a two-step bcc-to-bct-to-fcc transition, (2) a direct bcc-to-fcc transition, and (3) a microstructure-dependent transition with three main pathways. We show that in each case, particle-level rearrangements follow distinct kinetic pathways, leading to different microstructures of the resulting fcc phase. We also characterize the reverse transitions upon heating and report a previously unobserved fcc-to-bcc transformation pathway. This dataset includes all seven high-resolution solid--solid phase transition simulations referenced in the manuscript, provided as GSD files:

• bcc-to-bct: LJGP_2well_bcc_bct.gsd
• bct-to-fcc: LJGP_2well_bct_fcc.gsd
• direct bcc-to-fcc: OPP_bcc_fcc.gsd
• three microstructure-dependent transformations: LJGP_1well_mix_fcc.gsd, LJGP_1well_gb_fcc.gsd, LJGP_1well_bcc_hcp.gsd
• reverse fcc-to-bcc: LJGP_2well_fcc_bcc.gsd

We hope that this dataset will be useful for theorists, computationalists, and experimentalists interested in the mechanisms of solid--solid phase transitions.