The data set consists of Molecular Dynamics (MD) simulation data produced using Roskilde University Molecular Dynamics (RUMD) (http://rumd.org). The data are published in: "The EXP pair-potential system. III. Thermodynamic phase diagram" U. R. Pedersen, A. K. Bacher, T. B. Schroeder, and J. C. Dyre, The Journal of Chemical Physics 150 (17), 174501, (2019) DOI: 10.1063/1.5094395 (http://doi.org/10.1063/1.5094395) This electronic version of the data is published on "Glass and Time - Data repository" (http://glass.ruc.dk/data). The authors have the copyright to these data. You are welcome to use the data for further analysis, but are requested to cite the original publication whenever use is made of the data in publications, presentations, etc. Any questions regarding the data can be addressed to or who would also appreciate a mail if you find the data useful. ___________________________________________________________________________ The downloaded directory contains a python script and three subdirectories. All figures except figure 5 are produced by the python script figures.py, using data from the directory data containing the data files in the csv file format, and stores the figures in the directory fig. Figure 5 which was produced using ovito and can be found in the directory ovito together with the ovito file and the configuration file. The Q6 calculations was done using a home-written code (http://urp.dk/tools/). Both data from Clausius-Clapeyron integration along the coexistence lines, and the interface-pinning simulations can be found in the data directory. Data from interface-pinning is located in the subdirectories bcc and fcc, and treated by figures.py to generate the two files coexistence_from_ip_fcc.csv and coexistence_from_ip_bcc.csv containing the following data of the coexistence: temperature (T), pressure (p), volume of the solid phase (vsol), volume of the liquid phase (vliq), volume difference (dv), entropy difference (ds), standard deviation of pressure (dp), standard deviation of volume of the solid (dvsol), standard deviation of the liquid (dvliq), standard deviation of the volume difference (ddv), standard deviation of the entropy difference (dds). The files fcc_bcc_p.csv and fcc_bcc_T.csv contains the following data along the fcc-bcc coexistence: temperature (T), pressure (p), volume of the fcc phase (v_fcc), volume of the bcc phase (v_bcc). The files liquid_bcc.csv and liquid_fcc.csv contains the following data along the liquid-bbc or -fcc coexistence: temperature (T), pressure (p), volume of the crystal phase (v_fcc), volume of the liquid phase (v_bcc), slope of the coexistence line (slope0). The zero temperature lattice energies and pressures can be found in the files lattice_energies*.csv. The last columns contains information about the number of unit cells (L_) used in the calculations. ___________________________________________________________________________ Last edited May 2019, Andreas Kvist Bacher