# 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 = Fe2PbZr # 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 3.259815828e+02 3.259815828e+02 1.30 3.018107793e+02 3.018107793e+02 1.32 2.794559181e+02 2.794559181e+02 1.34 2.587706459e+02 2.587706459e+02 1.36 2.396225805e+02 2.396225805e+02 1.38 2.218902230e+02 2.218902230e+02 1.40 2.054615551e+02 2.054615551e+02 1.42 1.902339583e+02 1.902339583e+02 1.44 1.761141582e+02 1.761141582e+02 1.46 1.630179241e+02 1.630179241e+02 1.48 1.508694911e+02 1.508694911e+02 1.50 1.396004293e+02 1.396004293e+02 1.52 1.291479182e+02 1.291479182e+02 1.54 1.194530653e+02 1.194530653e+02 1.56 1.104597184e+02 1.104597184e+02 1.58 1.021142733e+02 1.021142733e+02 1.60 9.436616167e+01 9.436616167e+01 1.62 8.716857894e+01 8.716857894e+01 1.64 8.047898337e+01 8.047898337e+01 1.66 7.425927764e+01 7.425927764e+01 1.68 6.847559328e+01 6.847559328e+01 1.70 6.309771698e+01 6.309771698e+01 1.72 5.809832368e+01 5.809832368e+01 1.74 5.345218779e+01 5.345218779e+01 1.76 4.913555895e+01 4.913555895e+01 1.78 4.512630669e+01 4.512630669e+01 1.80 4.140289824e+01 4.140289824e+01 1.82 3.794753438e+01 3.794753438e+01 1.84 3.474527204e+01 3.474527204e+01 1.86 3.177711666e+01 3.177711666e+01 1.88 2.902534136e+01 2.902534136e+01 1.90 2.647360244e+01 2.647360244e+01 1.92 2.410688116e+01 2.410688116e+01 1.94 2.191141945e+01 2.191141945e+01 1.96 1.987453111e+01 1.987453111e+01 1.98 1.798445293e+01 1.798445293e+01 2.00 1.623024482e+01 1.623024482e+01 2.02 1.460174417e+01 1.460174417e+01 2.04 1.308955984e+01 1.308955984e+01 2.06 1.168507598e+01 1.168507598e+01 2.08 1.038044782e+01 1.038044782e+01 2.10 9.168551851e+00 9.168551851e+00 2.12 8.042944909e+00 8.042944909e+00 2.14 6.997787801e+00 6.997787801e+00 2.16 6.027778668e+00 6.027778668e+00 2.18 5.128069696e+00 5.128069696e+00 2.20 4.294181305e+00 4.294181305e+00 2.22 3.521912297e+00 3.521912297e+00 2.24 2.807280499e+00 2.807280499e+00 2.26 2.146497530e+00 2.146497530e+00 2.28 1.535976612e+00 1.535976612e+00 2.30 9.723455894e-01 9.723455894e-01 2.32 4.524432679e-01 4.524432679e-01 2.34 -2.665914085e-02 -2.665914085e-02 2.36 -4.676918875e-01 -4.676918875e-01 2.38 -8.731979363e-01 -8.731979363e-01 2.40 -1.245548294e+00 -1.245548294e+00 2.42 -1.586959961e+00 -1.586959961e+00 2.44 -1.899508214e+00 -1.899508214e+00 2.46 -2.185148972e+00 -2.185148972e+00 2.48 -2.445789556e+00 -2.445789556e+00 2.50 -2.683200562e+00 -2.683200562e+00 2.52 -2.898983893e+00 -2.898983893e+00 2.54 -3.094677831e+00 -3.094677831e+00 2.56 -3.271738300e+00 -3.271738300e+00 2.58 -3.431521784e+00 -3.431521784e+00 2.60 -3.575276559e+00 -3.575276559e+00 2.62 -3.704125976e+00 -3.704125976e+00 2.64 -3.818956823e+00 -3.818956823e+00 2.66 -3.920515127e+00 -3.920515127e+00 2.68 -4.009524110e+00 -4.009524110e+00 2.70 -4.086682091e+00 -4.086682091e+00 2.72 -4.152661819e+00 -4.152661819e+00 2.74 -4.208109037e+00 -4.208109037e+00 2.76 -4.253640456e+00 -4.253640456e+00 2.78 -4.289839499e+00 -4.289839499e+00 2.80 -4.317263389e+00 -4.317263389e+00 2.82 -4.336429044e+00 -4.336429044e+00 2.84 -4.347824884e+00 -4.347824884e+00 2.86 -4.351911795e+00 -4.351911795e+00 2.88 -4.349128060e+00 -4.349128060e+00 2.90 -4.339900590e+00 -4.339900590e+00 2.92 -4.324633309e+00 -4.324633309e+00 2.94 -4.303716590e+00 -4.303716590e+00 2.96 -4.277535179e+00 -4.277535179e+00 2.98 -4.246467681e+00 -4.246467681e+00 3.00 -4.210884933e+00 -4.210884933e+00 3.02 -4.171147671e+00 -4.171147671e+00 3.04 -4.127602162e+00 -4.127602162e+00 3.06 -4.080585544e+00 -4.080585544e+00 3.08 -4.030341104e+00 -4.030341104e+00 3.10 -3.976993484e+00 -3.976993484e+00 3.12 -3.920679769e+00 -3.920679769e+00 3.14 -3.861570411e+00 -3.861570411e+00 3.16 -3.799853375e+00 -3.799853375e+00 3.18 -3.735746035e+00 -3.735746035e+00 3.20 -3.669494222e+00 -3.669494222e+00 3.22 -3.601412677e+00 -3.601412677e+00 3.24 -3.531802055e+00 -3.531802055e+00 3.26 -3.460922085e+00 -3.460922085e+00 3.28 -3.389077627e+00 -3.389077627e+00 3.30 -3.316608737e+00 -3.316608737e+00 3.32 -3.243876204e+00 -3.243876204e+00 3.34 -3.171239050e+00 -3.171239050e+00 3.36 -3.099020031e+00 -3.099020031e+00 3.38 -3.027510202e+00 -3.027510202e+00 3.40 -2.956961399e+00 -2.956961399e+00 3.42 -2.887581803e+00 -2.887581803e+00 3.44 -2.819522678e+00 -2.819522678e+00 3.46 -2.752885822e+00 -2.752885822e+00 3.48 -2.687726640e+00 -2.687726640e+00 3.50 -2.624061210e+00 -2.624061210e+00 3.52 -2.561874234e+00 -2.561874234e+00 3.54 -2.501126909e+00 -2.501126909e+00 3.56 -2.441764085e+00 -2.441764085e+00 3.58 -2.383720441e+00 -2.383720441e+00 3.60 -2.326925600e+00 -2.326925600e+00 3.62 -2.271308250e+00 -2.271308250e+00 3.64 -2.216799394e+00 -2.216799394e+00 3.66 -2.163334877e+00 -2.163334877e+00 3.68 -2.110857323e+00 -2.110857323e+00 3.70 -2.059317588e+00 -2.059317588e+00 3.72 -2.008675838e+00 -2.008675838e+00 3.74 -1.958902286e+00 -1.958902286e+00 3.76 -1.909977663e+00 -1.909977663e+00 3.78 -1.861893388e+00 -1.861893388e+00 3.80 -1.814651395e+00 -1.814651395e+00 3.82 -1.768263483e+00 -1.768263483e+00 3.84 -1.722750028e+00 -1.722750028e+00 3.86 -1.678137932e+00 -1.678137932e+00 3.88 -1.634457788e+00 -1.634457788e+00 3.90 -1.591740456e+00 -1.591740456e+00 3.92 -1.550011334e+00 -1.550011334e+00 3.94 -1.509295907e+00 -1.509295907e+00 3.96 -1.469603395e+00 -1.469603395e+00 3.98 -1.430935356e+00 -1.430935356e+00 4.00 -1.393283155e+00 -1.393283155e+00 4.02 -1.356629133e+00 -1.356629133e+00 4.04 -1.320948517e+00 -1.320948517e+00 4.06 -1.286211633e+00 -1.286211633e+00 4.08 -1.252386076e+00 -1.252386076e+00 4.10 -1.219433064e+00 -1.219433064e+00 4.12 -1.187331866e+00 -1.187331866e+00 4.14 -1.156044543e+00 -1.156044543e+00 4.16 -1.125542008e+00 -1.125542008e+00 4.18 -1.095797515e+00 -1.095797515e+00 4.20 -1.066786684e+00 -1.066786684e+00 4.22 -1.038487371e+00 -1.038487371e+00 4.24 -1.010879454e+00 -1.010879454e+00 4.26 -9.839445703e-01 -9.839445703e-01 4.28 -9.576658544e-01 -9.576658544e-01 4.30 -9.320276814e-01 -9.320276814e-01 4.32 -9.070154397e-01 -9.070154397e-01 4.34 -8.826153329e-01 -8.826153329e-01 4.36 -8.588142126e-01 -8.588142126e-01 4.38 -8.355994414e-01 -8.355994414e-01 4.40 -8.129587833e-01 -8.129587833e-01 4.42 -7.908803178e-01 -7.908803178e-01 4.44 -7.693523732e-01 -7.693523732e-01 4.46 -7.483634771e-01 -7.483634771e-01 4.48 -7.279023186e-01 -7.279023186e-01 4.50 -7.079577217e-01 -7.079577217e-01 4.52 -6.885186263e-01 -6.885186263e-01 4.54 -6.695740745e-01 -6.695740745e-01 4.56 -6.511132017e-01 -6.511132017e-01 4.58 -6.331252302e-01 -6.331252302e-01 4.60 -6.155994656e-01 -6.155994656e-01 4.62 -5.985252934e-01 -5.985252934e-01 4.64 -5.818921777e-01 -5.818921777e-01 4.66 -5.656896589e-01 -5.656896589e-01 4.68 -5.499073526e-01 -5.499073526e-01 4.70 -5.345349475e-01 -5.345349475e-01 4.72 -5.195622042e-01 -5.195622042e-01 4.74 -5.049789527e-01 -5.049789527e-01 4.76 -4.907750904e-01 -4.907750904e-01 4.78 -4.769405799e-01 -4.769405799e-01 4.80 -4.634615493e-01 -4.634615493e-01 4.82 -4.503365368e-01 -4.503365368e-01 4.84 -4.375510263e-01 -4.375510263e-01 4.86 -4.250952474e-01 -4.250952474e-01 4.88 -4.129594894e-01 -4.129594894e-01 4.90 -4.011341060e-01 -4.011341060e-01 4.92 -3.896095222e-01 -3.896095222e-01 4.94 -3.783762448e-01 -3.783762448e-01 4.96 -3.674248769e-01 -3.674248769e-01 4.98 -3.567461360e-01 -3.567461360e-01 5.00 -3.463308786e-01 -3.463308786e-01 5.02 -3.361701284e-01 -3.361701284e-01 5.04 -3.262551114e-01 -3.262551114e-01 5.06 -3.165772957e-01 -3.165772957e-01 5.08 -3.071284360e-01 -3.071284360e-01 5.10 -2.979006227e-01 -2.979006227e-01 5.12 -2.888863327e-01 -2.888863327e-01 5.14 -2.800784817e-01 -2.800784817e-01 5.16 -2.714704748e-01 -2.714704748e-01 5.18 -2.630562550e-01 -2.630562550e-01 5.20 -2.548303460e-01 -2.548303460e-01 5.22 -2.467878906e-01 -2.467878906e-01 5.24 -2.389246823e-01 -2.389246823e-01 5.26 -2.312371755e-01 -2.312371755e-01 5.28 -2.237224449e-01 -2.237224449e-01 5.30 -2.163783995e-01 -2.163783995e-01 5.32 -2.092036933e-01 -2.092036933e-01 5.34 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