# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au2MgZr # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-04-11 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 4.356306889e+02 4.356306889e+02 1.30 4.048392253e+02 4.048392253e+02 1.32 3.762938404e+02 3.762938404e+02 1.34 3.498149332e+02 3.498149332e+02 1.36 3.252385233e+02 3.252385233e+02 1.38 3.024159369e+02 3.024159369e+02 1.40 2.812125529e+02 2.812125529e+02 1.42 2.615060040e+02 2.615060040e+02 1.44 2.431844921e+02 2.431844921e+02 1.46 2.261448472e+02 2.261448472e+02 1.48 2.102908331e+02 2.102908331e+02 1.50 1.955328880e+02 1.955328880e+02 1.52 1.817890008e+02 1.817890008e+02 1.54 1.689849646e+02 1.689849646e+02 1.56 1.570535174e+02 1.570535174e+02 1.58 1.459327337e+02 1.459327337e+02 1.60 1.355647800e+02 1.355647800e+02 1.62 1.258953327e+02 1.258953327e+02 1.64 1.168735952e+02 1.168735952e+02 1.66 1.084523795e+02 1.084523795e+02 1.68 1.005881788e+02 1.005881788e+02 1.70 9.324115428e+01 9.324115428e+01 1.72 8.637494560e+01 8.637494560e+01 1.74 7.995634254e+01 7.995634254e+01 1.76 7.395491265e+01 7.395491265e+01 1.78 6.834263328e+01 6.834263328e+01 1.80 6.309355856e+01 6.309355856e+01 1.82 5.818373989e+01 5.818373989e+01 1.84 5.359354821e+01 5.359354821e+01 1.86 4.932015072e+01 4.932015072e+01 1.88 4.534571098e+01 4.534571098e+01 1.90 4.164985022e+01 4.164985022e+01 1.92 3.821373110e+01 3.821373110e+01 1.94 3.501966345e+01 3.501966345e+01 1.96 3.205100077e+01 3.205100077e+01 1.98 2.929206283e+01 2.929206283e+01 2.00 2.672812788e+01 2.672812788e+01 2.02 2.434546426e+01 2.434546426e+01 2.04 2.213136952e+01 2.213136952e+01 2.06 2.007417187e+01 2.007417187e+01 2.08 1.816316651e+01 1.816316651e+01 2.10 1.638853330e+01 1.638853330e+01 2.12 1.474119500e+01 1.474119500e+01 2.14 1.321270057e+01 1.321270057e+01 2.16 1.179511630e+01 1.179511630e+01 2.18 1.048095023e+01 1.048095023e+01 2.20 9.263126956e+00 9.263126956e+00 2.22 8.134977475e+00 8.134977475e+00 2.24 7.090249140e+00 7.090249140e+00 2.26 6.123120906e+00 6.123120906e+00 2.28 5.228200158e+00 5.228200158e+00 2.30 4.400538023e+00 4.400538023e+00 2.32 3.635599413e+00 3.635599413e+00 2.34 2.929215920e+00 2.929215920e+00 2.36 2.277544094e+00 2.277544094e+00 2.38 1.677011796e+00 1.677011796e+00 2.40 1.124273616e+00 1.124273616e+00 2.42 6.161722480e-01 6.161722480e-01 2.44 1.497203462e-01 1.497203462e-01 2.46 -2.779137737e-01 -2.779137737e-01 2.48 -6.694061851e-01 -6.694061851e-01 2.50 -1.027276403e+00 -1.027276403e+00 2.52 -1.353892367e+00 -1.353892367e+00 2.54 -1.651484204e+00 -1.651484204e+00 2.56 -1.922196925e+00 -1.922196925e+00 2.58 -2.168066394e+00 -2.168066394e+00 2.60 -2.390913873e+00 -2.390913873e+00 2.62 -2.592468315e+00 -2.592468315e+00 2.64 -2.774354294e+00 -2.774354294e+00 2.66 -2.938073989e+00 -2.938073989e+00 2.68 -3.084999195e+00 -3.084999195e+00 2.70 -3.216370776e+00 -3.216370776e+00 2.72 -3.333221883e+00 -3.333221883e+00 2.74 -3.436385412e+00 -3.436385412e+00 2.76 -3.526650017e+00 -3.526650017e+00 2.78 -3.604773229e+00 -3.604773229e+00 2.80 -3.671489709e+00 -3.671489709e+00 2.82 -3.727498805e+00 -3.727498805e+00 2.84 -3.773472343e+00 -3.773472343e+00 2.86 -3.810052251e+00 -3.810052251e+00 2.88 -3.837851494e+00 -3.837851494e+00 2.90 -3.857455866e+00 -3.857455866e+00 2.92 -3.869513808e+00 -3.869513808e+00 2.94 -3.874592849e+00 -3.874592849e+00 2.96 -3.873091831e+00 -3.873091831e+00 2.98 -3.865417537e+00 -3.865417537e+00 3.00 -3.851983622e+00 -3.851983622e+00 3.02 -3.833208724e+00 -3.833208724e+00 3.04 -3.809511685e+00 -3.809511685e+00 3.06 -3.781316832e+00 -3.781316832e+00 3.08 -3.749034559e+00 -3.749034559e+00 3.10 -3.713061814e+00 -3.713061814e+00 3.12 -3.673767439e+00 -3.673767439e+00 3.14 -3.631504745e+00 -3.631504745e+00 3.16 -3.586598494e+00 -3.586598494e+00 3.18 -3.539351445e+00 -3.539351445e+00 3.20 -3.490042886e+00 -3.490042886e+00 3.22 -3.438931344e+00 -3.438931344e+00 3.24 -3.386258859e+00 -3.386258859e+00 3.26 -3.332255908e+00 -3.332255908e+00 3.28 -3.277145721e+00 -3.277145721e+00 3.30 -3.221146629e+00 -3.221146629e+00 3.32 -3.164471523e+00 -3.164471523e+00 3.34 -3.107324450e+00 -3.107324450e+00 3.36 -3.049895398e+00 -3.049895398e+00 3.38 -2.992354973e+00 -2.992354973e+00 3.40 -2.934849606e+00 -2.934849606e+00 3.42 -2.877504735e+00 -2.877504735e+00 3.44 -2.820419103e+00 -2.820419103e+00 3.46 -2.763672890e+00 -2.763672890e+00 3.48 -2.707330319e+00 -2.707330319e+00 3.50 -2.651443506e+00 -2.651443506e+00 3.52 -2.596063406e+00 -2.596063406e+00 3.54 -2.541235458e+00 -2.541235458e+00 3.56 -2.486976116e+00 -2.486976116e+00 3.58 -2.433299902e+00 -2.433299902e+00 3.60 -2.380220119e+00 -2.380220119e+00 3.62 -2.327748575e+00 -2.327748575e+00 3.64 -2.275895312e+00 -2.275895312e+00 3.66 -2.224668483e+00 -2.224668483e+00 3.68 -2.174074454e+00 -2.174074454e+00 3.70 -2.124113240e+00 -2.124113240e+00 3.72 -2.074765170e+00 -2.074765170e+00 3.74 -2.026010630e+00 -2.026010630e+00 3.76 -1.977837171e+00 -1.977837171e+00 3.78 -1.930240200e+00 -1.930240200e+00 3.80 -1.883223724e+00 -1.883223724e+00 3.82 -1.836800723e+00 -1.836800723e+00 3.84 -1.790992857e+00 -1.790992857e+00 3.86 -1.745829227e+00 -1.745829227e+00 3.88 -1.701344125e+00 -1.701344125e+00 3.90 -1.657573919e+00 -1.657573919e+00 3.92 -1.614552414e+00 -1.614552414e+00 3.94 -1.572311937e+00 -1.572311937e+00 3.96 -1.530873504e+00 -1.530873504e+00 3.98 -1.490250219e+00 -1.490250219e+00 4.00 -1.450445612e+00 -1.450445612e+00 4.02 -1.411454454e+00 -1.411454454e+00 4.04 -1.373264392e+00 -1.373264392e+00 4.06 -1.335858023e+00 -1.335858023e+00 4.08 -1.299215057e+00 -1.299215057e+00 4.10 -1.263310141e+00 -1.263310141e+00 4.12 -1.228132042e+00 -1.228132042e+00 4.14 -1.193657399e+00 -1.193657399e+00 4.16 -1.159871155e+00 -1.159871155e+00 4.18 -1.126762075e+00 -1.126762075e+00 4.20 -1.094323152e+00 -1.094323152e+00 4.22 -1.062551735e+00 -1.062551735e+00 4.24 -1.031449387e+00 -1.031449387e+00 4.26 -1.001021453e+00 -1.001021453e+00 4.28 -9.712763490e-01 -9.712763490e-01 4.30 -9.422245748e-01 -9.422245748e-01 4.32 -9.138775128e-01 -9.138775128e-01 4.34 -8.862460917e-01 -8.862460917e-01 4.36 -8.593394328e-01 -8.593394328e-01 4.38 -8.331636080e-01 -8.331636080e-01 4.40 -8.077206303e-01 -8.077206303e-01 4.42 -7.830077671e-01 -7.830077671e-01 4.44 -7.590172240e-01 -7.590172240e-01 4.46 -7.357361927e-01 -7.357361927e-01 4.48 -7.131472166e-01 -7.131472166e-01 4.50 -6.912287926e-01 -6.912287926e-01 4.52 -6.699561204e-01 -6.699561204e-01 4.54 -6.493019098e-01 -6.493019098e-01 4.56 -6.292371755e-01 -6.292371755e-01 4.58 -6.097319694e-01 -6.097319694e-01 4.60 -5.907560242e-01 -5.907560242e-01 4.62 -5.722793009e-01 -5.722793009e-01 4.64 -5.542724498e-01 -5.542724498e-01 4.66 -5.367071995e-01 -5.367071995e-01 4.68 -5.195566983e-01 -5.195566983e-01 4.70 -5.027958277e-01 -5.027958277e-01 4.72 -4.864015067e-01 -4.864015067e-01 4.74 -4.703529984e-01 -4.703529984e-01 4.76 -4.546322265e-01 -4.546322265e-01 4.78 -4.392240964e-01 -4.392240964e-01 4.80 -4.241135211e-01 -4.241135211e-01 4.82 -4.092994199e-01 -4.092994199e-01 4.84 -3.947734487e-01 -3.947734487e-01 4.86 -3.805351747e-01 -3.805351747e-01 4.88 -3.665881203e-01 -3.665881203e-01 4.90 -3.529396032e-01 -3.529396032e-01 4.92 -3.396003786e-01 -3.396003786e-01 4.94 -3.265840721e-01 -3.265840721e-01 4.96 -3.139064049e-01 -3.139064049e-01 4.98 -3.015842453e-01 -3.015842453e-01 5.00 -2.896345369e-01 -2.896345369e-01 5.02 -2.780731802e-01 -2.780731802e-01 5.04 -2.669139528e-01 -2.669139528e-01 5.06 -2.561675563e-01 -2.561675563e-01 5.08 -2.458408665e-01 -2.458408665e-01 5.10 -2.359364409e-01 -2.359364409e-01 5.12 -2.264523132e-01 -2.264523132e-01 5.14 -2.173820689e-01 -2.173820689e-01 5.16 -2.087151770e-01 -2.087151770e-01 5.18 -2.004375246e-01 -2.004375246e-01 5.20 -1.925320997e-01 -1.925320997e-01 5.22 -1.849797579e-01 -1.849797579e-01 5.24 -1.777600170e-01 -1.777600170e-01 5.26 -1.708518307e-01 -1.708518307e-01 5.28 -1.642342270e-01 -1.642342270e-01 5.30 -1.578870249e-01 -1.578870249e-01 5.32 -1.517915508e-01 -1.517915508e-01 5.34 -1.459308512e-01 -1.459308512e-01 5.36 -1.402900127e-01 -1.402900127e-01 5.38 -1.348563622e-01 -1.348563622e-01 5.40 -1.296195411e-01 -1.296195411e-01 5.42 -1.245714533e-01 -1.245714533e-01 5.44 -1.197060947e-01 -1.197060947e-01 5.46 -1.150192731e-01 -1.150192731e-01 5.48 -1.105082429e-01 -1.105082429e-01 5.50 -1.061712634e-01 -1.061712634e-01 5.52 -1.020071385e-01 -1.020071385e-01 5.54 -9.801476609e-02 -9.801476609e-02 5.56 -9.419272586e-02 -9.419272586e-02 5.58 -9.053894176e-02 -9.053894176e-02 5.60 -8.705032557e-02 -8.705032557e-02 5.62 -8.372220073e-02 -8.372220073e-02 5.64 -8.054982976e-02 -8.054982976e-02 5.66 -7.752749479e-02 -7.752749479e-02 5.68 -7.464843108e-02 -7.464843108e-02 5.70 -7.190504067e-02 -7.190504067e-02 5.72 -6.928912326e-02 -6.928912326e-02 5.74 -6.679210313e-02 -6.679210313e-02 5.76 -6.440523626e-02 -6.440523626e-02 5.78 -6.211978807e-02 -6.211978807e-02 5.80 -5.992717701e-02 -5.992717701e-02 5.82 -5.781908400e-02 -5.781908400e-02 5.84 -5.578753023e-02 -5.578753023e-02 5.86 -5.382492817e-02 -5.382492817e-02 5.88 -5.192411124e-02 -5.192411124e-02 5.90 -5.007834792e-02 -5.007834792e-02 5.92 -4.828134589e-02 -4.828134589e-02 5.94 -4.652725110e-02 -4.652725110e-02 5.96 -4.481064598e-02 -4.481064598e-02 5.98 -4.312655038e-02 -4.312655038e-02 6.00 -4.147042795e-02 -4.147042795e-02