# 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 = AgNi2Zr # 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 2.044076099e+02 2.044076099e+02 1.30 1.887141207e+02 1.887141207e+02 1.32 1.742117646e+02 1.742117646e+02 1.34 1.608013715e+02 1.608013715e+02 1.36 1.483945700e+02 1.483945700e+02 1.38 1.369133442e+02 1.369133442e+02 1.40 1.262881743e+02 1.262881743e+02 1.42 1.164557015e+02 1.164557015e+02 1.44 1.073568374e+02 1.073568374e+02 1.46 9.893587740e+01 9.893587740e+01 1.48 9.114054147e+01 9.114054147e+01 1.50 8.392226144e+01 8.392226144e+01 1.52 7.723625200e+01 7.723625200e+01 1.54 7.104132815e+01 7.104132815e+01 1.56 6.529962001e+01 6.529962001e+01 1.58 5.997635546e+01 5.997635546e+01 1.60 5.503970221e+01 5.503970221e+01 1.62 5.046063412e+01 5.046063412e+01 1.64 4.621273250e+01 4.621273250e+01 1.66 4.227184986e+01 4.227184986e+01 1.68 3.861569255e+01 3.861569255e+01 1.70 3.522351909e+01 3.522351909e+01 1.72 3.207593973e+01 3.207593973e+01 1.74 2.915510798e+01 2.915510798e+01 1.76 2.644465488e+01 2.644465488e+01 1.78 2.392911116e+01 2.392911116e+01 1.80 2.159526684e+01 2.159526684e+01 1.82 1.943126082e+01 1.943126082e+01 1.84 1.742563510e+01 1.742563510e+01 1.86 1.556790792e+01 1.556790792e+01 1.88 1.384833712e+01 1.384833712e+01 1.90 1.225775851e+01 1.225775851e+01 1.92 1.078745941e+01 1.078745941e+01 1.94 9.429113364e+00 9.429113364e+00 1.96 8.174744926e+00 8.174744926e+00 1.98 7.016785829e+00 7.016785829e+00 2.00 5.948163002e+00 5.948163002e+00 2.02 4.962356050e+00 4.962356050e+00 2.04 4.053399829e+00 4.053399829e+00 2.06 3.215835503e+00 3.215835503e+00 2.08 2.444633685e+00 2.444633685e+00 2.10 1.735125092e+00 1.735125092e+00 2.12 1.082963372e+00 1.082963372e+00 2.14 4.841081825e-01 4.841081825e-01 2.16 -6.517113210e-02 -6.517113210e-02 2.18 -5.683135621e-01 -5.683135621e-01 2.20 -1.028500735e+00 -1.028500735e+00 2.22 -1.448716895e+00 -1.448716895e+00 2.24 -1.831791762e+00 -1.831791762e+00 2.26 -2.180416250e+00 -2.180416250e+00 2.28 -2.497143199e+00 -2.497143199e+00 2.30 -2.784362025e+00 -2.784362025e+00 2.32 -3.044317143e+00 -3.044317143e+00 2.34 -3.279093189e+00 -3.279093189e+00 2.36 -3.490636424e+00 -3.490636424e+00 2.38 -3.680748688e+00 -3.680748688e+00 2.40 -3.851081119e+00 -3.851081119e+00 2.42 -4.003139060e+00 -4.003139060e+00 2.44 -4.138312281e+00 -4.138312281e+00 2.46 -4.257920558e+00 -4.257920558e+00 2.48 -4.363062568e+00 -4.363062568e+00 2.50 -4.454776896e+00 -4.454776896e+00 2.52 -4.534057478e+00 -4.534057478e+00 2.54 -4.601844332e+00 -4.601844332e+00 2.56 -4.659014265e+00 -4.659014265e+00 2.58 -4.706375925e+00 -4.706375925e+00 2.60 -4.744601165e+00 -4.744601165e+00 2.62 -4.774181956e+00 -4.774181956e+00 2.64 -4.795603197e+00 -4.795603197e+00 2.66 -4.809351982e+00 -4.809351982e+00 2.68 -4.815929541e+00 -4.815929541e+00 2.70 -4.815851403e+00 -4.815851403e+00 2.72 -4.809642606e+00 -4.809642606e+00 2.74 -4.797835997e+00 -4.797835997e+00 2.76 -4.780962499e+00 -4.780962499e+00 2.78 -4.759532185e+00 -4.759532185e+00 2.80 -4.734025280e+00 -4.734025280e+00 2.82 -4.704864721e+00 -4.704864721e+00 2.84 -4.672420438e+00 -4.672420438e+00 2.86 -4.637006818e+00 -4.637006818e+00 2.88 -4.598796529e+00 -4.598796529e+00 2.90 -4.557828561e+00 -4.557828561e+00 2.92 -4.514157698e+00 -4.514157698e+00 2.94 -4.467864117e+00 -4.467864117e+00 2.96 -4.419051615e+00 -4.419051615e+00 2.98 -4.367845042e+00 -4.367845042e+00 3.00 -4.314450072e+00 -4.314450072e+00 3.02 -4.259044472e+00 -4.259044472e+00 3.04 -4.201700663e+00 -4.201700663e+00 3.06 -4.142522560e+00 -4.142522560e+00 3.08 -4.081628031e+00 -4.081628031e+00 3.10 -4.019152802e+00 -4.019152802e+00 3.12 -3.955241286e+00 -3.955241286e+00 3.14 -3.890051166e+00 -3.890051166e+00 3.16 -3.823736919e+00 -3.823736919e+00 3.18 -3.756462144e+00 -3.756462144e+00 3.20 -3.688391293e+00 -3.688391293e+00 3.22 -3.619685400e+00 -3.619685400e+00 3.24 -3.550502826e+00 -3.550502826e+00 3.26 -3.481000622e+00 -3.481000622e+00 3.28 -3.411335578e+00 -3.411335578e+00 3.30 -3.341663906e+00 -3.341663906e+00 3.32 -3.272138729e+00 -3.272138729e+00 3.34 -3.202905368e+00 -3.202905368e+00 3.36 -3.134095358e+00 -3.134095358e+00 3.38 -3.065820741e+00 -3.065820741e+00 3.40 -2.998169025e+00 -2.998169025e+00 3.42 -2.931206571e+00 -2.931206571e+00 3.44 -2.864972445e+00 -2.864972445e+00 3.46 -2.799486975e+00 -2.799486975e+00 3.48 -2.734754559e+00 -2.734754559e+00 3.50 -2.670768064e+00 -2.670768064e+00 3.52 -2.607512861e+00 -2.607512861e+00 3.54 -2.544970229e+00 -2.544970229e+00 3.56 -2.483120069e+00 -2.483120069e+00 3.58 -2.421942972e+00 -2.421942972e+00 3.60 -2.361421707e+00 -2.361421707e+00 3.62 -2.301542222e+00 -2.301542222e+00 3.64 -2.242294279e+00 -2.242294279e+00 3.66 -2.183671882e+00 -2.183671882e+00 3.68 -2.125673668e+00 -2.125673668e+00 3.70 -2.068303479e+00 -2.068303479e+00 3.72 -2.011571245e+00 -2.011571245e+00 3.74 -1.955494271e+00 -1.955494271e+00 3.76 -1.900098849e+00 -1.900098849e+00 3.78 -1.845421970e+00 -1.845421970e+00 3.80 -1.791512732e+00 -1.791512732e+00 3.82 -1.738432917e+00 -1.738432917e+00 3.84 -1.686256193e+00 -1.686256193e+00 3.86 -1.635065549e+00 -1.635065549e+00 3.88 -1.584948861e+00 -1.584948861e+00 3.90 -1.535992938e+00 -1.535992938e+00 3.92 -1.488275410e+00 -1.488275410e+00 3.94 -1.441864078e+00 -1.441864078e+00 3.96 -1.396802569e+00 -1.396802569e+00 3.98 -1.353113725e+00 -1.353113725e+00 4.00 -1.310797167e+00 -1.310797167e+00 4.02 -1.269830789e+00 -1.269830789e+00 4.04 -1.230173917e+00 -1.230173917e+00 4.06 -1.191771419e+00 -1.191771419e+00 4.08 -1.154558107e+00 -1.154558107e+00 4.10 -1.118458817e+00 -1.118458817e+00 4.12 -1.083408999e+00 -1.083408999e+00 4.14 -1.049330770e+00 -1.049330770e+00 4.16 -1.016154010e+00 -1.016154010e+00 4.18 -9.838129648e-01 -9.838129648e-01 4.20 -9.522474114e-01 -9.522474114e-01 4.22 -9.214035154e-01 -9.214035154e-01 4.24 -8.912344733e-01 -8.912344733e-01 4.26 -8.617010241e-01 -8.617010241e-01 4.28 -8.327718734e-01 -8.327718734e-01 4.30 -8.044240473e-01 -8.044240473e-01 4.32 -7.766431650e-01 -7.766431650e-01 4.34 -7.494235990e-01 -7.494235990e-01 4.36 -7.227684715e-01 -7.227684715e-01 4.38 -6.966894158e-01 -6.966894158e-01 4.40 -6.712060214e-01 -6.712060214e-01 4.42 -6.463448779e-01 -6.463448779e-01 4.44 -6.221381553e-01 -6.221381553e-01 4.46 -5.986217011e-01 -5.986217011e-01 4.48 -5.758327070e-01 -5.758327070e-01 4.50 -5.538070793e-01 -5.538070793e-01 4.52 -5.325767285e-01 -5.325767285e-01 4.54 -5.121670425e-01 -5.121670425e-01 4.56 -4.925948090e-01 -4.925948090e-01 4.58 -4.738668076e-01 -4.738668076e-01 4.60 -4.559791957e-01 -4.559791957e-01 4.62 -4.389177055e-01 -4.389177055e-01 4.64 -4.226585578e-01 -4.226585578e-01 4.66 -4.071699245e-01 -4.071699245e-01 4.68 -3.924137299e-01 -3.924137299e-01 4.70 -3.783475830e-01 -3.783475830e-01 4.72 -3.649266645e-01 -3.649266645e-01 4.74 -3.521053823e-01 -3.521053823e-01 4.76 -3.398386768e-01 -3.398386768e-01 4.78 -3.280838530e-01 -3.280838530e-01 4.80 -3.167977542e-01 -3.167977542e-01 4.82 -3.059505884e-01 -3.059505884e-01 4.84 -2.955055699e-01 -2.955055699e-01 4.86 -2.854336721e-01 -2.854336721e-01 4.88 -2.757098326e-01 -2.757098326e-01 4.90 -2.663128471e-01 -2.663128471e-01 4.92 -2.572251435e-01 -2.572251435e-01 4.94 -2.484324537e-01 -2.484324537e-01 4.96 -2.399234007e-01 -2.399234007e-01 4.98 -2.316890174e-01 -2.316890174e-01 5.00 -2.237222182e-01 -2.237222182e-01 5.02 -2.160172490e-01 -2.160172490e-01 5.04 -2.085691429e-01 -2.085691429e-01 5.06 -2.013732129e-01 -2.013732129e-01 5.08 -1.944246106e-01 -1.944246106e-01 5.10 -1.877179736e-01 -1.877179736e-01 5.12 -1.812471792e-01 -1.812471792e-01 5.14 -1.750052104e-01 -1.750052104e-01 5.16 -1.689841318e-01 -1.689841318e-01 5.18 -1.631751639e-01 -1.631751639e-01 5.20 -1.575688382e-01 -1.575688382e-01 5.22 -1.521552142e-01 -1.521552142e-01 5.24 -1.469241350e-01 -1.469241350e-01 5.26 -1.418655027e-01 -1.418655027e-01 5.28 -1.369695557e-01 -1.369695557e-01 5.30 -1.322271317e-01 -1.322271317e-01 5.32 -1.276299048e-01 -1.276299048e-01 5.34 -1.231705837e-01 -1.231705837e-01 5.36 -1.188430616e-01 -1.188430616e-01 5.38 -1.146425080e-01 -1.146425080e-01 5.40 -1.105653951e-01 -1.105653951e-01 5.42 -1.066094512e-01 -1.066094512e-01 5.44 -1.027735425e-01 -1.027735425e-01 5.46 -9.905748447e-02 -9.905748447e-02 5.48 -9.546179317e-02 -9.546179317e-02 5.50 -9.198739471e-02 -9.198739471e-02 5.52 -8.863531484e-02 -8.863531484e-02 5.54 -8.540637350e-02 -8.540637350e-02 5.56 -8.230091039e-02 -8.230091039e-02 5.58 -7.931856326e-02 -7.931856326e-02 5.60 -7.645798967e-02 -7.645798967e-02 5.62 -7.371697203e-02 -7.371697203e-02 5.64 -7.109254059e-02 -7.109254059e-02 5.66 -6.858080205e-02 -6.858080205e-02 5.68 -6.617705514e-02 -6.617705514e-02 5.70 -6.387593933e-02 -6.387593933e-02 5.72 -6.167159802e-02 -6.167159802e-02 5.74 -5.955784126e-02 -5.955784126e-02 5.76 -5.752829646e-02 -5.752829646e-02 5.78 -5.557653954e-02 -5.557653954e-02 5.80 -5.369620295e-02 -5.369620295e-02 5.82 -5.188105971e-02 -5.188105971e-02 5.84 -5.012508523e-02 -5.012508523e-02 5.86 -4.842249995e-02 -4.842249995e-02 5.88 -4.676779666e-02 -4.676779666e-02 5.90 -4.515575681e-02 -4.515575681e-02 5.92 -4.358145969e-02 -4.358145969e-02 5.94 -4.204028838e-02 -4.204028838e-02 5.96 -4.052793564e-02 -4.052793564e-02 5.98 -3.904041250e-02 -3.904041250e-02 6.00 -3.757406175e-02 -3.757406175e-02