# 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 = AlAu2W # 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 3.231266787e+02 3.231266787e+02 1.30 3.001093624e+02 3.001093624e+02 1.32 2.787500911e+02 2.787500911e+02 1.34 2.589191446e+02 2.589191446e+02 1.36 2.405032216e+02 2.405032216e+02 1.38 2.234009679e+02 2.234009679e+02 1.40 2.075188486e+02 2.075188486e+02 1.42 1.927681782e+02 1.927681782e+02 1.44 1.790640199e+02 1.790640199e+02 1.46 1.663257218e+02 1.663257218e+02 1.48 1.544778759e+02 1.544778759e+02 1.50 1.434507089e+02 1.434507089e+02 1.52 1.331799487e+02 1.331799487e+02 1.54 1.236066334e+02 1.236066334e+02 1.56 1.146769295e+02 1.146769295e+02 1.58 1.063417821e+02 1.063417821e+02 1.60 9.855642819e+01 9.855642819e+01 1.62 9.127994966e+01 9.127994966e+01 1.64 8.447496110e+01 8.447496110e+01 1.66 7.810737995e+01 7.810737995e+01 1.68 7.214617134e+01 7.214617134e+01 1.70 6.656305130e+01 6.656305130e+01 1.72 6.133227540e+01 6.133227540e+01 1.74 5.643062289e+01 5.643062289e+01 1.76 5.183748155e+01 5.183748155e+01 1.78 4.753489533e+01 4.753489533e+01 1.80 4.350750621e+01 4.350750621e+01 1.82 3.975014422e+01 3.975014422e+01 1.84 3.626783678e+01 3.626783678e+01 1.86 3.304561440e+01 3.304561440e+01 1.88 3.006742878e+01 3.006742878e+01 1.90 2.731630986e+01 2.731630986e+01 1.92 2.477566967e+01 2.477566967e+01 1.94 2.242958245e+01 2.242958245e+01 1.96 2.026302550e+01 2.026302550e+01 1.98 1.826202928e+01 1.826202928e+01 2.00 1.641371358e+01 1.641371358e+01 2.02 1.470622055e+01 1.470622055e+01 2.04 1.312858950e+01 1.312858950e+01 2.06 1.167062834e+01 1.167062834e+01 2.08 1.032281910e+01 1.032281910e+01 2.10 9.076269772e+00 9.076269772e+00 2.12 7.922707282e+00 7.922707282e+00 2.14 6.854498222e+00 6.854498222e+00 2.16 5.864678828e+00 5.864678828e+00 2.18 4.946974805e+00 4.946974805e+00 2.20 4.095796492e+00 4.095796492e+00 2.22 3.306203762e+00 3.306203762e+00 2.24 2.573844371e+00 2.573844371e+00 2.26 1.894875509e+00 1.894875509e+00 2.28 1.265880241e+00 1.265880241e+00 2.30 6.837888412e-01 6.837888412e-01 2.32 1.458109740e-01 1.458109740e-01 2.34 -3.506193743e-01 -3.506193743e-01 2.36 -8.078874292e-01 -8.078874292e-01 2.38 -1.228231789e+00 -1.228231789e+00 2.40 -1.613701565e+00 -1.613701565e+00 2.42 -1.966338722e+00 -1.966338722e+00 2.44 -2.288177017e+00 -2.288177017e+00 2.46 -2.581173363e+00 -2.581173363e+00 2.48 -2.847217250e+00 -2.847217250e+00 2.50 -3.088132416e+00 -3.088132416e+00 2.52 -3.305672802e+00 -3.305672802e+00 2.54 -3.501516173e+00 -3.501516173e+00 2.56 -3.677163534e+00 -3.677163534e+00 2.58 -3.833842569e+00 -3.833842569e+00 2.60 -3.972747464e+00 -3.972747464e+00 2.62 -4.095064030e+00 -4.095064030e+00 2.64 -4.201950500e+00 -4.201950500e+00 2.66 -4.294513045e+00 -4.294513045e+00 2.68 -4.373781892e+00 -4.373781892e+00 2.70 -4.440694783e+00 -4.440694783e+00 2.72 -4.496091681e+00 -4.496091681e+00 2.74 -4.540720156e+00 -4.540720156e+00 2.76 -4.575247659e+00 -4.575247659e+00 2.78 -4.600276076e+00 -4.600276076e+00 2.80 -4.616355145e+00 -4.616355145e+00 2.82 -4.624087920e+00 -4.624087920e+00 2.84 -4.624902035e+00 -4.624902035e+00 2.86 -4.619203911e+00 -4.619203911e+00 2.88 -4.606934421e+00 -4.606934421e+00 2.90 -4.587973292e+00 -4.587973292e+00 2.92 -4.562271492e+00 -4.562271492e+00 2.94 -4.529853475e+00 -4.529853475e+00 2.96 -4.490844217e+00 -4.490844217e+00 2.98 -4.445490510e+00 -4.445490510e+00 3.00 -4.394128250e+00 -4.394128250e+00 3.02 -4.337179170e+00 -4.337179170e+00 3.04 -4.275134806e+00 -4.275134806e+00 3.06 -4.208546278e+00 -4.208546278e+00 3.08 -4.138006034e+00 -4.138006034e+00 3.10 -4.064115202e+00 -4.064115202e+00 3.12 -3.987449201e+00 -3.987449201e+00 3.14 -3.908527781e+00 -3.908527781e+00 3.16 -3.827794156e+00 -3.827794156e+00 3.18 -3.745605681e+00 -3.745605681e+00 3.20 -3.662235579e+00 -3.662235579e+00 3.22 -3.577883352e+00 -3.577883352e+00 3.24 -3.492690618e+00 -3.492690618e+00 3.26 -3.406759294e+00 -3.406759294e+00 3.28 -3.320169796e+00 -3.320169796e+00 3.30 -3.232997775e+00 -3.232997775e+00 3.32 -3.145328564e+00 -3.145328564e+00 3.34 -3.057268920e+00 -3.057268920e+00 3.36 -2.968955791e+00 -2.968955791e+00 3.38 -2.880561852e+00 -2.880561852e+00 3.40 -2.792297588e+00 -2.792297588e+00 3.42 -2.704409771e+00 -2.704409771e+00 3.44 -2.617176292e+00 -2.617176292e+00 3.46 -2.530897723e+00 -2.530897723e+00 3.48 -2.445886184e+00 -2.445886184e+00 3.50 -2.362452512e+00 -2.362452512e+00 3.52 -2.280892935e+00 -2.280892935e+00 3.54 -2.201476526e+00 -2.201476526e+00 3.56 -2.124434608e+00 -2.124434608e+00 3.58 -2.049952972e+00 -2.049952972e+00 3.60 -1.978167409e+00 -1.978167409e+00 3.62 -1.909162579e+00 -1.909162579e+00 3.64 -1.842973915e+00 -1.842973915e+00 3.66 -1.779591921e+00 -1.779591921e+00 3.68 -1.718968159e+00 -1.718968159e+00 3.70 -1.661022132e+00 -1.661022132e+00 3.72 -1.605648412e+00 -1.605648412e+00 3.74 -1.552723470e+00 -1.552723470e+00 3.76 -1.502111851e+00 -1.502111851e+00 3.78 -1.453671484e+00 -1.453671484e+00 3.80 -1.407258054e+00 -1.407258054e+00 3.82 -1.362728440e+00 -1.362728440e+00 3.84 -1.319943325e+00 -1.319943325e+00 3.86 -1.278769056e+00 -1.278769056e+00 3.88 -1.239078893e+00 -1.239078893e+00 3.90 -1.200753761e+00 -1.200753761e+00 3.92 -1.163682589e+00 -1.163682589e+00 3.94 -1.127762373e+00 -1.127762373e+00 3.96 -1.092897966e+00 -1.092897966e+00 3.98 -1.059001772e+00 -1.059001772e+00 4.00 -1.025993352e+00 -1.025993352e+00 4.02 -9.937990284e-01 -9.937990284e-01 4.04 -9.623515793e-01 -9.623515793e-01 4.06 -9.315900690e-01 -9.315900690e-01 4.08 -9.014598828e-01 -9.014598828e-01 4.10 -8.719129900e-01 -8.719129900e-01 4.12 -8.429085170e-01 -8.429085170e-01 4.14 -8.144134362e-01 -8.144134362e-01 4.16 -7.864035478e-01 -7.864035478e-01 4.18 -7.588644593e-01 -7.588644593e-01 4.20 -7.317924834e-01 -7.317924834e-01 4.22 -7.051952457e-01 -7.051952457e-01 4.24 -6.790917925e-01 -6.790917925e-01 4.26 -6.535120004e-01 -6.535120004e-01 4.28 -6.284951479e-01 -6.284951479e-01 4.30 -6.040876073e-01 -6.040876073e-01 4.32 -5.803397425e-01 -5.803397425e-01 4.34 -5.573022415e-01 -5.573022415e-01 4.36 -5.350222222e-01 -5.350222222e-01 4.38 -5.135395184e-01 -5.135395184e-01 4.40 -4.928835418e-01 -4.928835418e-01 4.42 -4.730710312e-01 -4.730710312e-01 4.44 -4.541048696e-01 -4.541048696e-01 4.46 -4.359739863e-01 -4.359739863e-01 4.48 -4.186542247e-01 -4.186542247e-01 4.50 -4.021099507e-01 -4.021099507e-01 4.52 -3.862961318e-01 -3.862961318e-01 4.54 -3.711606218e-01 -3.711606218e-01 4.56 -3.566464264e-01 -3.566464264e-01 4.58 -3.426937904e-01 -3.426937904e-01 4.60 -3.292420155e-01 -3.292420155e-01 4.62 -3.162309742e-01 -3.162309742e-01 4.64 -3.036023366e-01 -3.036023366e-01 4.66 -2.913005541e-01 -2.913005541e-01 4.68 -2.792736585e-01 -2.792736585e-01 4.70 -2.674739432e-01 -2.674739432e-01 4.72 -2.558585813e-01 -2.558585813e-01 4.74 -2.443902280e-01 -2.443902280e-01 4.76 -2.330376338e-01 -2.330376338e-01 4.78 -2.217762769e-01 -2.217762769e-01 4.80 -2.105889924e-01 -2.105889924e-01 4.82 -1.994666006e-01 -1.994666006e-01 4.84 -1.884083730e-01 -1.884083730e-01 4.86 -1.774223977e-01 -1.774223977e-01 4.88 -1.665256522e-01 -1.665256522e-01 4.90 -1.557437397e-01 -1.557437397e-01 4.92 -1.451102128e-01 -1.451102128e-01 4.94 -1.346654440e-01 -1.346654440e-01 4.96 -1.244550436e-01 -1.244550436e-01 4.98 -1.145278834e-01 -1.145278834e-01 5.00 -1.049338325e-01 -1.049338325e-01 5.02 -9.572136090e-02 -9.572136090e-02 5.04 -8.693519680e-02 -8.693519680e-02 5.06 -7.861422033e-02 -7.861422033e-02 5.08 -7.078975623e-02 -7.078975623e-02 5.10 -6.348439271e-02 -6.348439271e-02 5.12 -5.671137609e-02 -5.671137609e-02 5.14 -5.047459339e-02 -5.047459339e-02 5.16 -4.476907698e-02 -4.476907698e-02 5.18 -3.958191897e-02 -3.958191897e-02 5.20 -3.489345138e-02 -3.489345138e-02 5.22 -3.067826257e-02 -3.067826257e-02 5.24 -2.690754456e-02 -2.690754456e-02 5.26 -2.354995229e-02 -2.354995229e-02 5.28 -2.057229058e-02 -2.057229058e-02 5.30 -1.794147325e-02 -1.794147325e-02 5.32 -1.562496451e-02 -1.562496451e-02 5.34 -1.359127988e-02 -1.359127988e-02 5.36 -1.181052170e-02 -1.181052170e-02 5.38 -1.025473613e-02 -1.025473613e-02 5.40 -8.898121732e-03 -8.898121732e-03 5.42 -7.717120069e-03 -7.717120069e-03 5.44 -6.690416163e-03 -6.690416163e-03 5.46 -5.798873386e-03 -5.798873386e-03 5.48 -5.025423233e-03 -5.025423233e-03 5.50 -4.354926519e-03 -4.354926519e-03 5.52 -3.774018830e-03 -3.774018830e-03 5.54 -3.270949905e-03 -3.270949905e-03 5.56 -2.835423909e-03 -2.835423909e-03 5.58 -2.458445436e-03 -2.458445436e-03 5.60 -2.132174360e-03 -2.132174360e-03 5.62 -1.849791403e-03 -1.849791403e-03 5.64 -1.605375280e-03 -1.605375280e-03 5.66 -1.393791665e-03 -1.393791665e-03 5.68 -1.210593707e-03 -1.210593707e-03 5.70 -1.051933535e-03 -1.051933535e-03 5.72 -9.144840029e-04 -9.144840029e-04 5.74 -7.953698360e-04 -7.953698360e-04 5.76 -6.921072824e-04 -6.921072824e-04 5.78 -6.025514117e-04 -6.025514117e-04 5.80 -5.248502133e-04 -5.248502133e-04 5.82 -4.574047153e-04 -4.574047153e-04 5.84 -3.988343980e-04 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