# 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 = AgPb2W # 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 4.620382057e+02 4.620382057e+02 1.30 4.309406587e+02 4.309406587e+02 1.32 4.020313997e+02 4.020313997e+02 1.34 3.751404830e+02 3.751404830e+02 1.36 3.501165056e+02 3.501165056e+02 1.38 3.268231176e+02 3.268231176e+02 1.40 3.051355823e+02 3.051355823e+02 1.42 2.849378910e+02 2.849378910e+02 1.44 2.661208193e+02 2.661208193e+02 1.46 2.485811633e+02 2.485811633e+02 1.48 2.322219734e+02 2.322219734e+02 1.50 2.169531712e+02 2.169531712e+02 1.52 2.026919560e+02 2.026919560e+02 1.54 1.893628570e+02 1.893628570e+02 1.56 1.768973615e+02 1.768973615e+02 1.58 1.652332741e+02 1.652332741e+02 1.60 1.543138965e+02 1.543138965e+02 1.62 1.440872600e+02 1.440872600e+02 1.64 1.345054728e+02 1.345054728e+02 1.66 1.255242960e+02 1.255242960e+02 1.68 1.171028659e+02 1.171028659e+02 1.70 1.092034972e+02 1.092034972e+02 1.72 1.017915860e+02 1.017915860e+02 1.74 9.483564341e+01 9.483564341e+01 1.76 8.830781090e+01 8.830781090e+01 1.78 8.218300405e+01 8.218300405e+01 1.80 7.643865604e+01 7.643865604e+01 1.82 7.105703165e+01 7.105703165e+01 1.84 6.603169324e+01 6.603169324e+01 1.86 6.134468168e+01 6.134468168e+01 1.88 5.697558001e+01 5.697558001e+01 1.90 5.290406444e+01 5.290406444e+01 1.92 4.911008245e+01 4.911008245e+01 1.94 4.557419480e+01 4.557419480e+01 1.96 4.227789632e+01 4.227789632e+01 1.98 3.920385122e+01 3.920385122e+01 2.00 3.633597949e+01 3.633597949e+01 2.02 3.365941499e+01 3.365941499e+01 2.04 3.116038722e+01 3.116038722e+01 2.06 2.882609592e+01 2.882609592e+01 2.08 2.664462490e+01 2.664462490e+01 2.10 2.460489073e+01 2.460489073e+01 2.12 2.269663433e+01 2.269663433e+01 2.14 2.091041410e+01 2.091041410e+01 2.16 1.923760087e+01 1.923760087e+01 2.18 1.767036064e+01 1.767036064e+01 2.20 1.620161191e+01 1.620161191e+01 2.22 1.482496767e+01 1.482496767e+01 2.24 1.353465872e+01 1.353465872e+01 2.26 1.232544943e+01 1.232544943e+01 2.28 1.119255709e+01 1.119255709e+01 2.30 1.013157202e+01 1.013157202e+01 2.32 9.138387825e+00 9.138387825e+00 2.34 8.209154406e+00 8.209154406e+00 2.36 7.340258671e+00 7.340258671e+00 2.38 6.528277098e+00 6.528277098e+00 2.40 5.769805318e+00 5.769805318e+00 2.42 5.061588586e+00 5.061588586e+00 2.44 4.400526757e+00 4.400526757e+00 2.46 3.783682796e+00 3.783682796e+00 2.48 3.208294232e+00 3.208294232e+00 2.50 2.671782545e+00 2.671782545e+00 2.52 2.171760688e+00 2.171760688e+00 2.54 1.706146987e+00 1.706146987e+00 2.56 1.273134891e+00 1.273134891e+00 2.58 8.710216670e-01 8.710216670e-01 2.60 4.981917933e-01 4.981917933e-01 2.62 1.531078065e-01 1.531078065e-01 2.64 -1.657049274e-01 -1.657049274e-01 2.66 -4.596596704e-01 -4.596596704e-01 2.68 -7.301196707e-01 -7.301196707e-01 2.70 -9.783994616e-01 -9.783994616e-01 2.72 -1.205765001e+00 -1.205765001e+00 2.74 -1.413432179e+00 -1.413432179e+00 2.76 -1.602564716e+00 -1.602564716e+00 2.78 -1.774272142e+00 -1.774272142e+00 2.80 -1.929609110e+00 -1.929609110e+00 2.82 -2.069574574e+00 -2.069574574e+00 2.84 -2.195113482e+00 -2.195113482e+00 2.86 -2.307119133e+00 -2.307119133e+00 2.88 -2.406436856e+00 -2.406436856e+00 2.90 -2.493868615e+00 -2.493868615e+00 2.92 -2.570178122e+00 -2.570178122e+00 2.94 -2.636095952e+00 -2.636095952e+00 2.96 -2.692324097e+00 -2.692324097e+00 2.98 -2.739659459e+00 -2.739659459e+00 3.00 -2.778721091e+00 -2.778721091e+00 3.02 -2.809910278e+00 -2.809910278e+00 3.04 -2.833665295e+00 -2.833665295e+00 3.06 -2.850458525e+00 -2.850458525e+00 3.08 -2.860784666e+00 -2.860784666e+00 3.10 -2.865157621e+00 -2.865157621e+00 3.12 -2.864102597e+00 -2.864102597e+00 3.14 -2.858129991e+00 -2.858129991e+00 3.16 -2.847712685e+00 -2.847712685e+00 3.18 -2.833285724e+00 -2.833285724e+00 3.20 -2.815239043e+00 -2.815239043e+00 3.22 -2.793913878e+00 -2.793913878e+00 3.24 -2.769601160e+00 -2.769601160e+00 3.26 -2.742542270e+00 -2.742542270e+00 3.28 -2.712932600e+00 -2.712932600e+00 3.30 -2.680949333e+00 -2.680949333e+00 3.32 -2.646806017e+00 -2.646806017e+00 3.34 -2.610485094e+00 -2.610485094e+00 3.36 -2.571949964e+00 -2.571949964e+00 3.38 -2.531194185e+00 -2.531194185e+00 3.40 -2.488251087e+00 -2.488251087e+00 3.42 -2.443198820e+00 -2.443198820e+00 3.44 -2.396117137e+00 -2.396117137e+00 3.46 -2.347111199e+00 -2.347111199e+00 3.48 -2.296353866e+00 -2.296353866e+00 3.50 -2.244078673e+00 -2.244078673e+00 3.52 -2.190567564e+00 -2.190567564e+00 3.54 -2.136135598e+00 -2.136135598e+00 3.56 -2.081114227e+00 -2.081114227e+00 3.58 -2.025834866e+00 -2.025834866e+00 3.60 -1.970614330e+00 -1.970614330e+00 3.62 -1.915743298e+00 -1.915743298e+00 3.64 -1.861478393e+00 -1.861478393e+00 3.66 -1.808037929e+00 -1.808037929e+00 3.68 -1.755600838e+00 -1.755600838e+00 3.70 -1.704308063e+00 -1.704308063e+00 3.72 -1.654265513e+00 -1.654265513e+00 3.74 -1.605547810e+00 -1.605547810e+00 3.76 -1.558202228e+00 -1.558202228e+00 3.78 -1.512252472e+00 -1.512252472e+00 3.80 -1.467702181e+00 -1.467702181e+00 3.82 -1.424538180e+00 -1.424538180e+00 3.84 -1.382733572e+00 -1.382733572e+00 3.86 -1.342250724e+00 -1.342250724e+00 3.88 -1.303044133e+00 -1.303044133e+00 3.90 -1.265063122e+00 -1.265063122e+00 3.92 -1.228253425e+00 -1.228253425e+00 3.94 -1.192562645e+00 -1.192562645e+00 3.96 -1.157936456e+00 -1.157936456e+00 3.98 -1.124323545e+00 -1.124323545e+00 4.00 -1.091675340e+00 -1.091675340e+00 4.02 -1.059946421e+00 -1.059946421e+00 4.04 -1.029094656e+00 -1.029094656e+00 4.06 -9.990811824e-01 -9.990811824e-01 4.08 -9.698702875e-01 -9.698702875e-01 4.10 -9.414268440e-01 -9.414268440e-01 4.12 -9.137263079e-01 -9.137263079e-01 4.14 -8.867386959e-01 -8.867386959e-01 4.16 -8.604397376e-01 -8.604397376e-01 4.18 -8.348079207e-01 -8.348079207e-01 4.20 -8.098245237e-01 -8.098245237e-01 4.22 -7.854736401e-01 -7.854736401e-01 4.24 -7.617421557e-01 -7.617421557e-01 4.26 -7.386196375e-01 -7.386196375e-01 4.28 -7.160980998e-01 -7.160980998e-01 4.30 -6.941716248e-01 -6.941716248e-01 4.32 -6.728358354e-01 -6.728358354e-01 4.34 -6.520872467e-01 -6.520872467e-01 4.36 -6.319225398e-01 -6.319225398e-01 4.38 -6.123378281e-01 -6.123378281e-01 4.40 -5.933279873e-01 -5.933279873e-01 4.42 -5.748861170e-01 -5.748861170e-01 4.44 -5.570031819e-01 -5.570031819e-01 4.46 -5.396678550e-01 -5.396678550e-01 4.48 -5.228665559e-01 -5.228665559e-01 4.50 -5.065836532e-01 -5.065836532e-01 4.52 -4.908017868e-01 -4.908017868e-01 4.54 -4.755022576e-01 -4.755022576e-01 4.56 -4.606654387e-01 -4.606654387e-01 4.58 -4.462711710e-01 -4.462711710e-01 4.60 -4.322991170e-01 -4.322991170e-01 4.62 -4.187290620e-01 -4.187290620e-01 4.64 -4.055411595e-01 -4.055411595e-01 4.66 -3.927161265e-01 -3.927161265e-01 4.68 -3.802354007e-01 -3.802354007e-01 4.70 -3.680812678e-01 -3.680812678e-01 4.72 -3.562369756e-01 -3.562369756e-01 4.74 -3.446868411e-01 -3.446868411e-01 4.76 -3.334163603e-01 -3.334163603e-01 4.78 -3.224123236e-01 -3.224123236e-01 4.80 -3.116614147e-01 -3.116614147e-01 4.82 -3.011566668e-01 -3.011566668e-01 4.84 -2.908876773e-01 -2.908876773e-01 4.86 -2.808476061e-01 -2.808476061e-01 4.88 -2.710314271e-01 -2.710314271e-01 4.90 -2.614359415e-01 -2.614359415e-01 4.92 -2.520597256e-01 -2.520597256e-01 4.94 -2.429030016e-01 -2.429030016e-01 4.96 -2.339674279e-01 -2.339674279e-01 4.98 -2.252558099e-01 -2.252558099e-01 5.00 -2.167717488e-01 -2.167717488e-01 5.02 -2.085192477e-01 -2.085192477e-01 5.04 -2.005023099e-01 -2.005023099e-01 5.06 -1.927245609e-01 -1.927245609e-01 5.08 -1.851889290e-01 -1.851889290e-01 5.10 -1.778974048e-01 -1.778974048e-01 5.12 -1.708509077e-01 -1.708509077e-01 5.14 -1.640492499e-01 -1.640492499e-01 5.16 -1.574911916e-01 -1.574911916e-01 5.18 -1.511745663e-01 -1.511745663e-01 5.20 -1.450964419e-01 -1.450964419e-01 5.22 -1.392532916e-01 -1.392532916e-01 5.24 -1.336411487e-01 -1.336411487e-01 5.26 -1.282557220e-01 -1.282557220e-01 5.28 -1.230924614e-01 -1.230924614e-01 5.30 -1.181465714e-01 -1.181465714e-01 5.32 -1.134127508e-01 -1.134127508e-01 5.34 -1.088848889e-01 -1.088848889e-01 5.36 -1.045575833e-01 -1.045575833e-01 5.38 -1.004249149e-01 -1.004249149e-01 5.40 -9.648030131e-02 -9.648030131e-02 5.42 -9.271650780e-02 -9.271650780e-02 5.44 -8.912569039e-02 -8.912569039e-02 5.46 -8.569946933e-02 -8.569946933e-02 5.48 -8.242902870e-02 -8.242902870e-02 5.50 -7.930523422e-02 -7.930523422e-02 5.52 -7.631876028e-02 -7.631876028e-02 5.54 -7.346021755e-02 -7.346021755e-02 5.56 -7.072027373e-02 -7.072027373e-02 5.58 -6.808976205e-02 -6.808976205e-02 5.60 -6.555977411e-02 -6.555977411e-02 5.62 -6.312173596e-02 -6.312173596e-02 5.64 -6.076746774e-02 -6.076746774e-02 5.66 -5.848922865e-02 -5.848922865e-02 5.68 -5.627974965e-02 -5.627974965e-02 5.70 -5.413225703e-02 -5.413225703e-02 5.72 -5.204048957e-02 -5.204048957e-02 5.74 -4.999871231e-02 -4.999871231e-02 5.76 -4.800172912e-02 -4.800172912e-02 5.78 -4.604489606e-02 -4.604489606e-02 5.80 -4.412413670e-02 -4.412413670e-02 5.82 -4.223595984e-02 -4.223595984e-02 5.84 -4.037747958e-02 -4.037747958e-02 5.86 -3.854643667e-02 -3.854643667e-02 5.88 -3.674121942e-02 -3.674121942e-02 5.90 -3.496088189e-02 -3.496088189e-02 5.92 -3.320515635e-02 -3.320515635e-02 5.94 -3.147445668e-02 -3.147445668e-02 5.96 -2.976986932e-02 -2.976986932e-02 5.98 -2.809312751e-02 -2.809312751e-02 6.00 -2.644656751e-02 -2.644656751e-02