Dataset for "Effect of Mass on Single‑File Diffusion" (Nihon Reoroji Gakkaishi)

This dataset accompanies the article “Effect of Mass on Single‑File Diffusion” published in Nihon Reoroji Gakkaishi. Contents of the archive origin/ main.c — simulates particle dynamics calc.c — calculates time‑correlation functions base_para.txt — parameter file that will be updated by scripts base_begin_liquid.sh — execution script various_para.sh Renames origin to massXXX (XXX is the particle mass), rewrites base_para.txt with the chosen parameters, and starts the simulation through base_begin_liquid.sh. To generate the data folders for each mass, edit base_begin_liquid.sh for your system and runbash various_para.sh Figures in the paper Fig. 1 schematic illustrationFig. 2 particle trajectoriesFig. 3 mean‑square displacement (MSD)Fig. 4 non‑Gaussian parameter (NGP)Fig. 5 schematic illustrationFig. 6 MSD with theory for light particlesFig. 7 MSD with theory for heavy particles Figure 2 uses the raw trajectory output from the simulations.Fig. 3 is produced with base_plot_msd.plt.Fig. 4 is produced with base_plot_ngp.plt.Fig. 6 is produced with base_plot_msd_small.plt.Fig. 7 is produced with base_plot_msd_large.plt. Data files For each massXXX directory, data_msd.txt stores columns 1‑2 time and MSD columns 1 and 3 time and NGP theory.py computes the theoretical curves corresponding to Equations 10 and 14 of the paper.