# 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 = FeNi2Pb # 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 2.034760617e+02 2.034760617e+02 1.30 1.877460796e+02 1.877460796e+02 1.32 1.732378368e+02 1.732378368e+02 1.34 1.598484873e+02 1.598484873e+02 1.36 1.474838398e+02 1.474838398e+02 1.38 1.360585906e+02 1.360585906e+02 1.40 1.254959691e+02 1.254959691e+02 1.42 1.157271320e+02 1.157271320e+02 1.44 1.066902099e+02 1.066902099e+02 1.46 9.832907540e+01 9.832907540e+01 1.48 9.059227762e+01 9.059227762e+01 1.50 8.343238550e+01 8.343238550e+01 1.52 7.680560556e+01 7.680560556e+01 1.54 7.067140034e+01 7.067140034e+01 1.56 6.499205308e+01 6.499205308e+01 1.58 5.973236151e+01 5.973236151e+01 1.60 5.485962720e+01 5.485962720e+01 1.62 5.034391260e+01 5.034391260e+01 1.64 4.615956461e+01 4.615956461e+01 1.66 4.228925941e+01 4.228925941e+01 1.68 3.871107576e+01 3.871107576e+01 1.70 3.540348310e+01 3.540348310e+01 1.72 3.234596662e+01 3.234596662e+01 1.74 2.951893476e+01 2.951893476e+01 1.76 2.690394767e+01 2.690394767e+01 1.78 2.448406413e+01 2.448406413e+01 1.80 2.224406788e+01 2.224406788e+01 1.82 2.017046562e+01 2.017046562e+01 1.84 1.825127611e+01 1.825127611e+01 1.86 1.647572299e+01 1.647572299e+01 1.88 1.483393002e+01 1.483393002e+01 1.90 1.331666200e+01 1.331666200e+01 1.92 1.191514961e+01 1.191514961e+01 1.94 1.062100781e+01 1.062100781e+01 1.96 9.426224437e+00 9.426224437e+00 1.98 8.323201460e+00 8.323201460e+00 2.00 7.304807798e+00 7.304807798e+00 2.02 6.364423733e+00 6.364423733e+00 2.04 5.495968240e+00 5.495968240e+00 2.06 4.693912228e+00 4.693912228e+00 2.08 3.953274780e+00 3.953274780e+00 2.10 3.269599607e+00 3.269599607e+00 2.12 2.638905792e+00 2.638905792e+00 2.14 2.057615759e+00 2.057615759e+00 2.16 1.522474597e+00 1.522474597e+00 2.18 1.030471733e+00 1.030471733e+00 2.20 5.787740597e-01 5.787740597e-01 2.22 1.646804224e-01 1.646804224e-01 2.24 -2.144018922e-01 -2.144018922e-01 2.26 -5.609605747e-01 -5.609605747e-01 2.28 -8.773747516e-01 -8.773747516e-01 2.30 -1.165905894e+00 -1.165905894e+00 2.32 -1.428705929e+00 -1.428705929e+00 2.34 -1.667815961e+00 -1.667815961e+00 2.36 -1.885166388e+00 -1.885166388e+00 2.38 -2.082558693e+00 -2.082558693e+00 2.40 -2.261639933e+00 -2.261639933e+00 2.42 -2.423881988e+00 -2.423881988e+00 2.44 -2.570577476e+00 -2.570577476e+00 2.46 -2.702849671e+00 -2.702849671e+00 2.48 -2.821681062e+00 -2.821681062e+00 2.50 -2.927947824e+00 -2.927947824e+00 2.52 -3.022447462e+00 -3.022447462e+00 2.54 -3.105920861e+00 -3.105920861e+00 2.56 -3.179067629e+00 -3.179067629e+00 2.58 -3.242556363e+00 -3.242556363e+00 2.60 -3.296927376e+00 -3.296927376e+00 2.62 -3.342484497e+00 -3.342484497e+00 2.64 -3.379546957e+00 -3.379546957e+00 2.66 -3.408475724e+00 -3.408475724e+00 2.68 -3.429670275e+00 -3.429670275e+00 2.70 -3.443564447e+00 -3.443564447e+00 2.72 -3.450622673e+00 -3.450622673e+00 2.74 -3.451332902e+00 -3.451332902e+00 2.76 -3.446153740e+00 -3.446153740e+00 2.78 -3.435464229e+00 -3.435464229e+00 2.80 -3.419637285e+00 -3.419637285e+00 2.82 -3.399032577e+00 -3.399032577e+00 2.84 -3.373986910e+00 -3.373986910e+00 2.86 -3.344810955e+00 -3.344810955e+00 2.88 -3.311792383e+00 -3.311792383e+00 2.90 -3.275201756e+00 -3.275201756e+00 2.92 -3.235336296e+00 -3.235336296e+00 2.94 -3.192439165e+00 -3.192439165e+00 2.96 -3.146692282e+00 -3.146692282e+00 2.98 -3.098293424e+00 -3.098293424e+00 3.00 -3.047449845e+00 -3.047449845e+00 3.02 -2.994372681e+00 -2.994372681e+00 3.04 -2.939272206e+00 -2.939272206e+00 3.06 -2.882351600e+00 -2.882351600e+00 3.08 -2.823800232e+00 -2.823800232e+00 3.10 -2.763811953e+00 -2.763811953e+00 3.12 -2.702585866e+00 -2.702585866e+00 3.14 -2.640330991e+00 -2.640330991e+00 3.16 -2.577262855e+00 -2.577262855e+00 3.18 -2.513607615e+00 -2.513607615e+00 3.20 -2.449600285e+00 -2.449600285e+00 3.22 -2.385482148e+00 -2.385482148e+00 3.24 -2.321496524e+00 -2.321496524e+00 3.26 -2.257883270e+00 -2.257883270e+00 3.28 -2.194872624e+00 -2.194872624e+00 3.30 -2.132678958e+00 -2.132678958e+00 3.32 -2.071495000e+00 -2.071495000e+00 3.34 -2.011486927e+00 -2.011486927e+00 3.36 -1.952790693e+00 -1.952790693e+00 3.38 -1.895509831e+00 -1.895509831e+00 3.40 -1.839714667e+00 -1.839714667e+00 3.42 -1.785444271e+00 -1.785444271e+00 3.44 -1.732707493e+00 -1.732707493e+00 3.46 -1.681487628e+00 -1.681487628e+00 3.48 -1.631746558e+00 -1.631746558e+00 3.50 -1.583429537e+00 -1.583429537e+00 3.52 -1.536470010e+00 -1.536470010e+00 3.54 -1.490794160e+00 -1.490794160e+00 3.56 -1.446325002e+00 -1.446325002e+00 3.58 -1.402985904e+00 -1.402985904e+00 3.60 -1.360703496e+00 -1.360703496e+00 3.62 -1.319409979e+00 -1.319409979e+00 3.64 -1.279044880e+00 -1.279044880e+00 3.66 -1.239556313e+00 -1.239556313e+00 3.68 -1.200901826e+00 -1.200901826e+00 3.70 -1.163048900e+00 -1.163048900e+00 3.72 -1.125975161e+00 -1.125975161e+00 3.74 -1.089668357e+00 -1.089668357e+00 3.76 -1.054126131e+00 -1.054126131e+00 3.78 -1.019355586e+00 -1.019355586e+00 3.80 -9.853725861e-01 -9.853725861e-01 3.82 -9.522006913e-01 -9.522006913e-01 3.84 -9.198695895e-01 -9.198695895e-01 3.86 -8.884129202e-01 -8.884129202e-01 3.88 -8.578654694e-01 -8.578654694e-01 3.90 -8.282598751e-01 -8.282598751e-01 3.92 -7.996227248e-01 -7.996227248e-01 3.94 -7.719731200e-01 -7.719731200e-01 3.96 -7.453173258e-01 -7.453173258e-01 3.98 -7.196492703e-01 -7.196492703e-01 4.00 -6.949497280e-01 -6.949497280e-01 4.02 -6.711871559e-01 -6.711871559e-01 4.04 -6.483194097e-01 -6.483194097e-01 4.06 -6.262959918e-01 -6.262959918e-01 4.08 -6.050604821e-01 -6.050604821e-01 4.10 -5.845517674e-01 -5.845517674e-01 4.12 -5.647106582e-01 -5.647106582e-01 4.14 -5.454743399e-01 -5.454743399e-01 4.16 -5.267827330e-01 -5.267827330e-01 4.18 -5.085781433e-01 -5.085781433e-01 4.20 -4.908060454e-01 -4.908060454e-01 4.22 -4.734157612e-01 -4.734157612e-01 4.24 -4.563611277e-01 -4.563611277e-01 4.26 -4.396012282e-01 -4.396012282e-01 4.28 -4.231012335e-01 -4.231012335e-01 4.30 -4.068333591e-01 -4.068333591e-01 4.32 -3.907779103e-01 -3.907779103e-01 4.34 -3.749243332e-01 -3.749243332e-01 4.36 -3.592721531e-01 -3.592721531e-01 4.38 -3.438316380e-01 -3.438316380e-01 4.40 -3.286240080e-01 -3.286240080e-01 4.42 -3.136810171e-01 -3.136810171e-01 4.44 -2.990437752e-01 -2.990437752e-01 4.46 -2.847607602e-01 -2.847607602e-01 4.48 -2.708850835e-01 -2.708850835e-01 4.50 -2.574711958e-01 -2.574711958e-01 4.52 -2.445713311e-01 -2.445713311e-01 4.54 -2.322320567e-01 -2.322320567e-01 4.56 -2.204912981e-01 -2.204912981e-01 4.58 -2.093761476e-01 -2.093761476e-01 4.60 -1.989016350e-01 -1.989016350e-01 4.62 -1.890705149e-01 -1.890705149e-01 4.64 -1.798739754e-01 -1.798739754e-01 4.66 -1.712930620e-01 -1.712930620e-01 4.68 -1.633005553e-01 -1.633005553e-01 4.70 -1.558630688e-01 -1.558630688e-01 4.72 -1.489431071e-01 -1.489431071e-01 4.74 -1.425002640e-01 -1.425002640e-01 4.76 -1.364946267e-01 -1.364946267e-01 4.78 -1.308872239e-01 -1.308872239e-01 4.80 -1.256396503e-01 -1.256396503e-01 4.82 -1.207181628e-01 -1.207181628e-01 4.84 -1.160889710e-01 -1.160889710e-01 4.86 -1.117220794e-01 -1.117220794e-01 4.88 -1.075903899e-01 -1.075903899e-01 4.90 -1.036696307e-01 -1.036696307e-01 4.92 -9.993820718e-02 -9.993820718e-02 4.94 -9.637700794e-02 -9.637700794e-02 4.96 -9.296919299e-02 -9.296919299e-02 4.98 -8.969998078e-02 -8.969998078e-02 5.00 -8.655644625e-02 -8.655644625e-02 5.02 -8.352733683e-02 -8.352733683e-02 5.04 -8.060290984e-02 -8.060290984e-02 5.06 -7.777479220e-02 -7.777479220e-02 5.08 -7.503586045e-02 -7.503586045e-02 5.10 -7.238013818e-02 -7.238013818e-02 5.12 -6.980270755e-02 -6.980270755e-02 5.14 -6.729962875e-02 -6.729962875e-02 5.16 -6.486786242e-02 -6.486786242e-02 5.18 -6.250518937e-02 -6.250518937e-02 5.20 -6.021012308e-02 -6.021012308e-02 5.22 -5.798181112e-02 -5.798181112e-02 5.24 -5.581992364e-02 -5.581992364e-02 5.26 -5.372451678e-02 -5.372451678e-02 5.28 -5.169576963e-02 -5.169576963e-02 5.30 -4.973415666e-02 -4.973415666e-02 5.32 -4.784019160e-02 -4.784019160e-02 5.34 -4.601423184e-02 -4.601423184e-02 5.36 -4.425636569e-02 -4.425636569e-02 5.38 -4.256632307e-02 -4.256632307e-02 5.40 -4.094341419e-02 -4.094341419e-02 5.42 -3.938649824e-02 -3.938649824e-02 5.44 -3.789398102e-02 -3.789398102e-02 5.46 -3.646383872e-02 -3.646383872e-02 5.48 -3.509366247e-02 -3.509366247e-02 5.50 -3.378071804e-02 -3.378071804e-02 5.52 -3.252201424e-02 -3.252201424e-02 5.54 -3.131437456e-02 -3.131437456e-02 5.56 -3.015450699e-02 -3.015450699e-02 5.58 -2.903906887e-02 -2.903906887e-02 5.60 -2.796472412e-02 -2.796472412e-02 5.62 -2.692819207e-02 -2.692819207e-02 5.64 -2.592628736e-02 -2.592628736e-02 5.66 -2.495595196e-02 -2.495595196e-02 5.68 -2.401428022e-02 -2.401428022e-02 5.70 -2.309853818e-02 -2.309853818e-02 5.72 -2.220617866e-02 -2.220617866e-02 5.74 -2.133485353e-02 -2.133485353e-02 5.76 -2.048242430e-02 -2.048242430e-02 5.78 -1.964697199e-02 -1.964697199e-02 5.80 -1.882680711e-02 -1.882680711e-02 5.82 -1.802047986e-02 -1.802047986e-02 5.84 -1.722679081e-02 -1.722679081e-02 5.86 -1.644480169e-02 -1.644480169e-02 5.88 -1.567384553e-02 -1.567384553e-02 5.90 -1.491353545e-02 -1.491353545e-02 5.92 -1.416377066e-02 -1.416377066e-02 5.94 -1.342472451e-02 -1.342472451e-02 5.96 -1.269679086e-02 -1.269679086e-02 5.98 -1.198072200e-02 -1.198072200e-02 6.00 -1.127754046e-02 -1.127754046e-02