Question
Define a triclinic box in python for an FCC lattice. The box edge vectors cannot be along [1,0,0], [0,1,0], or [0,0,1]. You may make the
Define a triclinic box in python for an FCC lattice. The box edge vectors cannot be along [1,0,0], [0,1,0], or [0,0,1]. You may make the box be a rectangular prism, or triclinic.2) Fill the box with a lattice of FCC Mg atoms and export it to a lammps data file. The box must be fully periodic. (lattice parameter = 3.2)3) Run several short NPT simulations at temperatures of 10K, 300K, and 600K using the change_box command to identify the amount of thermal expansion needed to relax the pressures. 4) Run a lammps simulation which applies tension or compression to one of the box edges. Use a constant strainrate of 10^9/s and all three different temperatures. Use a NPT command to keep the stress zero on dimensions you are not loading. Load to 20% strain.5) Write a short description of the results of each simulation and how they were affected by temperature.6) Plot stress-strain curves for each simulation all on the same plot and label them appropriately.7) For your submission to canvas, turn in a short report containing the description, stress-strain curves, 3 screenshots from ovito at different strains from each simulation (9 total), and attach your log files.
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