# 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 = AlCo2Mo # 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 1.520224383e+02 1.520224383e+02 1.30 1.401653163e+02 1.401653163e+02 1.32 1.292195805e+02 1.292195805e+02 1.34 1.191113057e+02 1.191113057e+02 1.36 1.097720510e+02 1.097720510e+02 1.38 1.011388713e+02 1.011388713e+02 1.40 9.315405282e+01 9.315405282e+01 1.42 8.576456826e+01 8.576456826e+01 1.44 7.892128444e+01 7.892128444e+01 1.46 7.257854001e+01 7.257854001e+01 1.48 6.669463031e+01 6.669463031e+01 1.50 6.123265872e+01 6.123265872e+01 1.52 5.616071743e+01 5.616071743e+01 1.54 5.145115775e+01 5.145115775e+01 1.56 4.707952154e+01 4.707952154e+01 1.58 4.302361306e+01 4.302361306e+01 1.60 3.926278457e+01 3.926278457e+01 1.62 3.577738914e+01 3.577738914e+01 1.64 3.254841726e+01 3.254841726e+01 1.66 2.955786353e+01 2.955786353e+01 1.68 2.679005619e+01 2.679005619e+01 1.70 2.422946913e+01 2.422946913e+01 1.72 2.186223699e+01 2.186223699e+01 1.74 1.967510783e+01 1.967510783e+01 1.76 1.765433118e+01 1.765433118e+01 1.78 1.578702309e+01 1.578702309e+01 1.80 1.406123838e+01 1.406123838e+01 1.82 1.246613411e+01 1.246613411e+01 1.84 1.099207141e+01 1.099207141e+01 1.86 9.630567066e+00 9.630567066e+00 1.88 8.374094798e+00 8.374094798e+00 1.90 7.215792265e+00 7.215792265e+00 1.92 6.149164709e+00 6.149164709e+00 1.94 5.167884455e+00 5.167884455e+00 1.96 4.265742175e+00 4.265742175e+00 1.98 3.436728245e+00 3.436728245e+00 2.00 2.675166874e+00 2.675166874e+00 2.02 1.975822435e+00 1.975822435e+00 2.04 1.333927967e+00 1.333927967e+00 2.06 7.451297924e-01 7.451297924e-01 2.08 2.053848994e-01 2.053848994e-01 2.10 -2.891338727e-01 -2.891338727e-01 2.12 -7.420847473e-01 -7.420847473e-01 2.14 -1.156946973e+00 -1.156946973e+00 2.16 -1.536970312e+00 -1.536970312e+00 2.18 -1.885112326e+00 -1.885112326e+00 2.20 -2.203991187e+00 -2.203991187e+00 2.22 -2.495872138e+00 -2.495872138e+00 2.24 -2.762690684e+00 -2.762690684e+00 2.26 -3.006102121e+00 -3.006102121e+00 2.28 -3.227541178e+00 -3.227541178e+00 2.30 -3.428277672e+00 -3.428277672e+00 2.32 -3.609460690e+00 -3.609460690e+00 2.34 -3.772149695e+00 -3.772149695e+00 2.36 -3.917314859e+00 -3.917314859e+00 2.38 -4.045765559e+00 -4.045765559e+00 2.40 -4.158506983e+00 -4.158506983e+00 2.42 -4.256543082e+00 -4.256543082e+00 2.44 -4.340842215e+00 -4.340842215e+00 2.46 -4.412355792e+00 -4.412355792e+00 2.48 -4.472029329e+00 -4.472029329e+00 2.50 -4.520804951e+00 -4.520804951e+00 2.52 -4.559603896e+00 -4.559603896e+00 2.54 -4.589183492e+00 -4.589183492e+00 2.56 -4.610295350e+00 -4.610295350e+00 2.58 -4.623599386e+00 -4.623599386e+00 2.60 -4.629762929e+00 -4.629762929e+00 2.62 -4.629466781e+00 -4.629466781e+00 2.64 -4.623359231e+00 -4.623359231e+00 2.66 -4.612011659e+00 -4.612011659e+00 2.68 -4.596273665e+00 -4.596273665e+00 2.70 -4.577074767e+00 -4.577074767e+00 2.72 -4.554274560e+00 -4.554274560e+00 2.74 -4.527616419e+00 -4.527616419e+00 2.76 -4.496865991e+00 -4.496865991e+00 2.78 -4.461837644e+00 -4.461837644e+00 2.80 -4.422394172e+00 -4.422394172e+00 2.82 -4.378450509e+00 -4.378450509e+00 2.84 -4.329991182e+00 -4.329991182e+00 2.86 -4.277044915e+00 -4.277044915e+00 2.88 -4.219675806e+00 -4.219675806e+00 2.90 -4.157986581e+00 -4.157986581e+00 2.92 -4.092124567e+00 -4.092124567e+00 2.94 -4.022289741e+00 -4.022289741e+00 2.96 -3.948743367e+00 -3.948743367e+00 2.98 -3.871814963e+00 -3.871814963e+00 3.00 -3.791904733e+00 -3.791904733e+00 3.02 -3.709478456e+00 -3.709478456e+00 3.04 -3.625052585e+00 -3.625052585e+00 3.06 -3.539169377e+00 -3.539169377e+00 3.08 -3.452364542e+00 -3.452364542e+00 3.10 -3.365132942e+00 -3.365132942e+00 3.12 -3.277898769e+00 -3.277898769e+00 3.14 -3.190995890e+00 -3.190995890e+00 3.16 -3.104661065e+00 -3.104661065e+00 3.18 -3.019039680e+00 -3.019039680e+00 3.20 -2.934200882e+00 -2.934200882e+00 3.22 -2.850158096e+00 -2.850158096e+00 3.24 -2.766891076e+00 -2.766891076e+00 3.26 -2.684366628e+00 -2.684366628e+00 3.28 -2.602556334e+00 -2.602556334e+00 3.30 -2.521450485e+00 -2.521450485e+00 3.32 -2.441068078e+00 -2.441068078e+00 3.34 -2.361462980e+00 -2.361462980e+00 3.36 -2.282726456e+00 -2.282726456e+00 3.38 -2.204986298e+00 -2.204986298e+00 3.40 -2.128402789e+00 -2.128402789e+00 3.42 -2.053161877e+00 -2.053161877e+00 3.44 -1.979466066e+00 -1.979466066e+00 3.46 -1.907523776e+00 -1.907523776e+00 3.48 -1.837538071e+00 -1.837538071e+00 3.50 -1.769695754e+00 -1.769695754e+00 3.52 -1.704157783e+00 -1.704157783e+00 3.54 -1.641051822e+00 -1.641051822e+00 3.56 -1.580467412e+00 -1.580467412e+00 3.58 -1.522453958e+00 -1.522453958e+00 3.60 -1.467021370e+00 -1.467021370e+00 3.62 -1.414142965e+00 -1.414142965e+00 3.64 -1.363760044e+00 -1.363760044e+00 3.66 -1.315787511e+00 -1.315787511e+00 3.68 -1.270119935e+00 -1.270119935e+00 3.70 -1.226637540e+00 -1.226637540e+00 3.72 -1.185211723e+00 -1.185211723e+00 3.74 -1.145709851e+00 -1.145709851e+00 3.76 -1.107999194e+00 -1.107999194e+00 3.78 -1.071949965e+00 -1.071949965e+00 3.80 -1.037437502e+00 -1.037437502e+00 3.82 -1.004343681e+00 -1.004343681e+00 3.84 -9.725577000e-01 -9.725577000e-01 3.86 -9.419763499e-01 -9.419763499e-01 3.88 -9.125039141e-01 -9.125039141e-01 3.90 -8.840518122e-01 -8.840518122e-01 3.92 -8.565380842e-01 -8.565380842e-01 3.94 -8.298868195e-01 -8.298868195e-01 3.96 -8.040275333e-01 -8.040275333e-01 3.98 -7.788946295e-01 -7.788946295e-01 4.00 -7.544269281e-01 -7.544269281e-01 4.02 -7.305673247e-01 -7.305673247e-01 4.04 -7.072626187e-01 -7.072626187e-01 4.06 -6.844635437e-01 -6.844635437e-01 4.08 -6.621250348e-01 -6.621250348e-01 4.10 -6.402067416e-01 -6.402067416e-01 4.12 -6.186738425e-01 -6.186738425e-01 4.14 -5.974979921e-01 -5.974979921e-01 4.16 -5.766585221e-01 -5.766585221e-01 4.18 -5.561436290e-01 -5.561436290e-01 4.20 -5.359514415e-01 -5.359514415e-01 4.22 -5.160907450e-01 -5.160907450e-01 4.24 -4.965811363e-01 -4.965811363e-01 4.26 -4.774524042e-01 -4.774524042e-01 4.28 -4.587430055e-01 -4.587430055e-01 4.30 -4.404976297e-01 -4.404976297e-01 4.32 -4.227639971e-01 -4.227639971e-01 4.34 -4.055891886e-01 -4.055891886e-01 4.36 -3.890159053e-01 -3.890159053e-01 4.38 -3.730790939e-01 -3.730790939e-01 4.40 -3.578033096e-01 -3.578033096e-01 4.42 -3.432010650e-01 -3.432010650e-01 4.44 -3.292722461e-01 -3.292722461e-01 4.46 -3.160045192e-01 -3.160045192e-01 4.48 -3.033745313e-01 -3.033745313e-01 4.50 -2.913496457e-01 -2.913496457e-01 4.52 -2.798899446e-01 -2.798899446e-01 4.54 -2.689502699e-01 -2.689502699e-01 4.56 -2.584821288e-01 -2.584821288e-01 4.58 -2.484353621e-01 -2.484353621e-01 4.60 -2.387595291e-01 -2.387595291e-01 4.62 -2.294050169e-01 -2.294050169e-01 4.64 -2.203239081e-01 -2.203239081e-01 4.66 -2.114706671e-01 -2.114706671e-01 4.68 -2.028027047e-01 -2.028027047e-01 4.70 -1.942808856e-01 -1.942808856e-01 4.72 -1.858700299e-01 -1.858700299e-01 4.74 -1.775394489e-01 -1.775394489e-01 4.76 -1.692635363e-01 -1.692635363e-01 4.78 -1.610224142e-01 -1.610224142e-01 4.80 -1.528026069e-01 -1.528026069e-01 4.82 -1.445977247e-01 -1.445977247e-01 4.84 -1.364089981e-01 -1.364089981e-01 4.86 -1.282456872e-01 -1.282456872e-01 4.88 -1.201251730e-01 -1.201251730e-01 4.90 -1.120726717e-01 -1.120726717e-01 4.92 -1.041204812e-01 -1.041204812e-01 4.94 -9.630673556e-02 -9.630673556e-02 4.96 -8.867369611e-02 -8.867369611e-02 4.98 -8.126566317e-02 -8.126566317e-02 5.00 -7.412667594e-02 -7.412667594e-02 5.02 -6.729820338e-02 -6.729820338e-02 5.04 -6.081701711e-02 -6.081701711e-02 5.06 -5.471344257e-02 -5.471344257e-02 5.08 -4.900990515e-02 -4.900990515e-02 5.10 -4.372047627e-02 -4.372047627e-02 5.12 -3.885141389e-02 -3.885141389e-02 5.14 -3.440091274e-02 -3.440091274e-02 5.16 -3.035996544e-02 -3.035996544e-02 5.18 -2.671351733e-02 -2.671351733e-02 5.20 -2.344175242e-02 -2.344175242e-02 5.22 -2.052139417e-02 -2.052139417e-02 5.24 -1.792692856e-02 -1.792692856e-02 5.26 -1.563166896e-02 -1.563166896e-02 5.28 -1.360844224e-02 -1.360844224e-02 5.30 -1.183094548e-02 -1.183094548e-02 5.32 -1.027396689e-02 -1.027396689e-02 5.34 -8.913647499e-03 -8.913647499e-03 5.36 -7.727760651e-03 -7.727760651e-03 5.38 -6.695867879e-03 -6.695867879e-03 5.40 -5.799377907e-03 -5.799377907e-03 5.42 -5.021533036e-03 -5.021533036e-03 5.44 -4.347343742e-03 -4.347343742e-03 5.46 -3.763488662e-03 -3.763488662e-03 5.48 -3.258193541e-03 -3.258193541e-03 5.50 -2.821099537e-03 -2.821099537e-03 5.52 -2.443128521e-03 -2.443128521e-03 5.54 -2.116350784e-03 -2.116350784e-03 5.56 -1.833858767e-03 -1.833858767e-03 5.58 -1.589649088e-03 -1.589649088e-03 5.60 -1.378514082e-03 -1.378514082e-03 5.62 -1.195943378e-03 -1.195943378e-03 5.64 -1.038035472e-03 -1.038035472e-03 5.66 -9.014189480e-04 -9.014189480e-04 5.68 -7.831827610e-04 -7.831827610e-04 5.70 -6.808148796e-04 -6.808148796e-04 5.72 -5.921485358e-04 -5.921485358e-04 5.74 -5.153153147e-04 -5.153153147e-04 5.76 -4.487043387e-04 -4.487043387e-04 5.78 -3.909268507e-04 -3.909268507e-04 5.80 -3.407855423e-04 -3.407855423e-04 5.82 -2.972480411e-04 -2.972480411e-04 5.84 -2.594240228e-04 -2.594240228e-04 5.86 -2.265454755e-04 -2.265454755e-04 5.88 -1.979496970e-04 -1.979496970e-04 5.90 -1.730646574e-04 -1.730646574e-04 5.92 -1.513964028e-04 -1.513964028e-04 5.94 -1.325182203e-04 -1.325182203e-04 5.96 -1.160613201e-04 -1.160613201e-04 5.98 -1.017068226e-04 -1.017068226e-04 6.00 -8.917886852e-05 -8.917886852e-05