# 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 = CoPtZr2 # 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 3.706454210e+02 3.706454210e+02 1.30 3.457457417e+02 3.457457417e+02 1.32 3.225693694e+02 3.225693694e+02 1.34 3.009856796e+02 3.009856796e+02 1.36 2.808768789e+02 2.808768789e+02 1.38 2.621332856e+02 2.621332856e+02 1.40 2.446506237e+02 2.446506237e+02 1.42 2.283313727e+02 2.283313727e+02 1.44 2.130875247e+02 2.130875247e+02 1.46 1.988408268e+02 1.988408268e+02 1.48 1.855206553e+02 1.855206553e+02 1.50 1.730623793e+02 1.730623793e+02 1.52 1.614068879e+02 1.614068879e+02 1.54 1.504997403e+02 1.504997403e+02 1.56 1.402899708e+02 1.402899708e+02 1.58 1.307287766e+02 1.307287766e+02 1.60 1.217690325e+02 1.217690325e+02 1.62 1.133656247e+02 1.133656247e+02 1.64 1.054765667e+02 1.054765667e+02 1.66 9.806405140e+01 9.806405140e+01 1.68 9.109518490e+01 9.109518490e+01 1.70 8.454195458e+01 8.454195458e+01 1.72 7.838030863e+01 7.838030863e+01 1.74 7.258856400e+01 7.258856400e+01 1.76 6.714582497e+01 6.714582497e+01 1.78 6.203109225e+01 6.203109225e+01 1.80 5.722337399e+01 5.722337399e+01 1.82 5.270226586e+01 5.270226586e+01 1.84 4.844872545e+01 4.844872545e+01 1.86 4.444545274e+01 4.444545274e+01 1.88 4.067677270e+01 4.067677270e+01 1.90 3.712821222e+01 3.712821222e+01 1.92 3.378631508e+01 3.378631508e+01 1.94 3.063897403e+01 3.063897403e+01 1.96 2.767396301e+01 2.767396301e+01 1.98 2.488758581e+01 2.488758581e+01 2.00 2.230521369e+01 2.230521369e+01 2.02 1.991651093e+01 1.991651093e+01 2.04 1.770720190e+01 1.770720190e+01 2.06 1.566442482e+01 1.566442482e+01 2.08 1.377656036e+01 1.377656036e+01 2.10 1.203305366e+01 1.203305366e+01 2.12 1.042413803e+01 1.042413803e+01 2.14 8.940606714e+00 8.940606714e+00 2.16 7.573633240e+00 7.573633240e+00 2.18 6.314713211e+00 6.314713211e+00 2.20 5.155734681e+00 5.155734681e+00 2.22 4.089069769e+00 4.089069769e+00 2.24 3.107659956e+00 3.107659956e+00 2.26 2.205062034e+00 2.205062034e+00 2.28 1.375440374e+00 1.375440374e+00 2.30 6.135592923e-01 6.135592923e-01 2.32 -8.528287402e-02 -8.528287402e-02 2.34 -7.253444810e-01 -7.253444810e-01 2.36 -1.310520340e+00 -1.310520340e+00 2.38 -1.844429580e+00 -1.844429580e+00 2.40 -2.330483682e+00 -2.330483682e+00 2.42 -2.771941908e+00 -2.771941908e+00 2.44 -3.171933610e+00 -3.171933610e+00 2.46 -3.533478662e+00 -3.533478662e+00 2.48 -3.859488094e+00 -3.859488094e+00 2.50 -4.152760702e+00 -4.152760702e+00 2.52 -4.415976743e+00 -4.415976743e+00 2.54 -4.651686196e+00 -4.651686196e+00 2.56 -4.862287263e+00 -4.862287263e+00 2.58 -5.049996043e+00 -5.049996043e+00 2.60 -5.216816360e+00 -5.216816360e+00 2.62 -5.364519823e+00 -5.364519823e+00 2.64 -5.494656634e+00 -5.494656634e+00 2.66 -5.608563660e+00 -5.608563660e+00 2.68 -5.707409219e+00 -5.707409219e+00 2.70 -5.792229030e+00 -5.792229030e+00 2.72 -5.863960226e+00 -5.863960226e+00 2.74 -5.923560120e+00 -5.923560120e+00 2.76 -5.971825130e+00 -5.971825130e+00 2.78 -6.009398364e+00 -6.009398364e+00 2.80 -6.036909887e+00 -6.036909887e+00 2.82 -6.054997312e+00 -6.054997312e+00 2.84 -6.065126292e+00 -6.065126292e+00 2.86 -6.067992872e+00 -6.067992872e+00 2.88 -6.063880443e+00 -6.063880443e+00 2.90 -6.053096142e+00 -6.053096142e+00 2.92 -6.035867832e+00 -6.035867832e+00 2.94 -6.012326902e+00 -6.012326902e+00 2.96 -5.982679153e+00 -5.982679153e+00 2.98 -5.947206216e+00 -5.947206216e+00 3.00 -5.906254902e+00 -5.906254902e+00 3.02 -5.860229190e+00 -5.860229190e+00 3.04 -5.809492174e+00 -5.809492174e+00 3.06 -5.754410289e+00 -5.754410289e+00 3.08 -5.695320199e+00 -5.695320199e+00 3.10 -5.632538786e+00 -5.632538786e+00 3.12 -5.566353154e+00 -5.566353154e+00 3.14 -5.497041230e+00 -5.497041230e+00 3.16 -5.424852415e+00 -5.424852415e+00 3.18 -5.350033697e+00 -5.350033697e+00 3.20 -5.272826252e+00 -5.272826252e+00 3.22 -5.193444985e+00 -5.193444985e+00 3.24 -5.112105684e+00 -5.112105684e+00 3.26 -5.029042823e+00 -5.029042823e+00 3.28 -4.944509933e+00 -4.944509933e+00 3.30 -4.858776957e+00 -4.858776957e+00 3.32 -4.772123429e+00 -4.772123429e+00 3.34 -4.684827672e+00 -4.684827672e+00 3.36 -4.597153854e+00 -4.597153854e+00 3.38 -4.509339867e+00 -4.509339867e+00 3.40 -4.421587259e+00 -4.421587259e+00 3.42 -4.334064528e+00 -4.334064528e+00 3.44 -4.246898237e+00 -4.246898237e+00 3.46 -4.160185635e+00 -4.160185635e+00 3.48 -4.073999321e+00 -4.073999321e+00 3.50 -3.988393740e+00 -3.988393740e+00 3.52 -3.903410437e+00 -3.903410437e+00 3.54 -3.819081680e+00 -3.819081680e+00 3.56 -3.735432553e+00 -3.735432553e+00 3.58 -3.652481903e+00 -3.652481903e+00 3.60 -3.570242581e+00 -3.570242581e+00 3.62 -3.488721436e+00 -3.488721436e+00 3.64 -3.407919421e+00 -3.407919421e+00 3.66 -3.327832102e+00 -3.327832102e+00 3.68 -3.248450753e+00 -3.248450753e+00 3.70 -3.169764152e+00 -3.169764152e+00 3.72 -3.091761083e+00 -3.091761083e+00 3.74 -3.014433436e+00 -3.014433436e+00 3.76 -2.937779681e+00 -2.937779681e+00 3.78 -2.861810446e+00 -2.861810446e+00 3.80 -2.786573870e+00 -2.786573870e+00 3.82 -2.712144761e+00 -2.712144761e+00 3.84 -2.638606737e+00 -2.638606737e+00 3.86 -2.566051016e+00 -2.566051016e+00 3.88 -2.494573315e+00 -2.494573315e+00 3.90 -2.424268902e+00 -2.424268902e+00 3.92 -2.355223359e+00 -2.355223359e+00 3.94 -2.287520424e+00 -2.287520424e+00 3.96 -2.221215633e+00 -2.221215633e+00 3.98 -2.156348980e+00 -2.156348980e+00 4.00 -2.092940593e+00 -2.092940593e+00 4.02 -2.030992698e+00 -2.030992698e+00 4.04 -1.970493249e+00 -1.970493249e+00 4.06 -1.911420495e+00 -1.911420495e+00 4.08 -1.853747750e+00 -1.853747750e+00 4.10 -1.797440583e+00 -1.797440583e+00 4.12 -1.742490724e+00 -1.742490724e+00 4.14 -1.688870756e+00 -1.688870756e+00 4.16 -1.636569298e+00 -1.636569298e+00 4.18 -1.585582239e+00 -1.585582239e+00 4.20 -1.535911878e+00 -1.535911878e+00 4.22 -1.487565156e+00 -1.487565156e+00 4.24 -1.440551222e+00 -1.440551222e+00 4.26 -1.394878649e+00 -1.394878649e+00 4.28 -1.350552645e+00 -1.350552645e+00 4.30 -1.307572572e+00 -1.307572572e+00 4.32 -1.265930025e+00 -1.265930025e+00 4.34 -1.225607640e+00 -1.225607640e+00 4.36 -1.186578672e+00 -1.186578672e+00 4.38 -1.148807296e+00 -1.148807296e+00 4.40 -1.112249500e+00 -1.112249500e+00 4.42 -1.076854378e+00 -1.076854378e+00 4.44 -1.042565653e+00 -1.042565653e+00 4.46 -1.009323242e+00 -1.009323242e+00 4.48 -9.770647447e-01 -9.770647447e-01 4.50 -9.457267768e-01 -9.457267768e-01 4.52 -9.152461173e-01 -9.152461173e-01 4.54 -8.855606828e-01 -8.855606828e-01 4.56 -8.566103691e-01 -8.566103691e-01 4.58 -8.283378097e-01 -8.283378097e-01 4.60 -8.006891083e-01 -8.006891083e-01 4.62 -7.736145908e-01 -7.736145908e-01 4.64 -7.470696072e-01 -7.470696072e-01 4.66 -7.210153958e-01 -7.210153958e-01 4.68 -6.954199917e-01 -6.954199917e-01 4.70 -6.702591401e-01 -6.702591401e-01 4.72 -6.455171430e-01 -6.455171430e-01 4.74 -6.211875499e-01 -6.211875499e-01 4.76 -5.972735842e-01 -5.972735842e-01 4.78 -5.737881989e-01 -5.737881989e-01 4.80 -5.507476169e-01 -5.507476169e-01 4.82 -5.281956095e-01 -5.281956095e-01 4.84 -5.061624946e-01 -5.061624946e-01 4.86 -4.846907957e-01 -4.846907957e-01 4.88 -4.638256023e-01 -4.638256023e-01 4.90 -4.436119811e-01 -4.436119811e-01 4.92 -4.240923479e-01 -4.240923479e-01 4.94 -4.053040047e-01 -4.053040047e-01 4.96 -3.872770260e-01 -3.872770260e-01 4.98 -3.700326423e-01 -3.700326423e-01 5.00 -3.535822128e-01 -3.535822128e-01 5.02 -3.379268213e-01 -3.379268213e-01 5.04 -3.230574696e-01 -3.230574696e-01 5.06 -3.089557937e-01 -3.089557937e-01 5.08 -2.955951944e-01 -2.955951944e-01 5.10 -2.829422517e-01 -2.829422517e-01 5.12 -2.709582935e-01 -2.709582935e-01 5.14 -2.596009965e-01 -2.596009965e-01 5.16 -2.488259231e-01 -2.488259231e-01 5.18 -2.385879225e-01 -2.385879225e-01 5.20 -2.288423543e-01 -2.288423543e-01 5.22 -2.195461168e-01 -2.195461168e-01 5.24 -2.106584860e-01 -2.106584860e-01 5.26 -2.021417765e-01 -2.021417765e-01 5.28 -1.939618503e-01 -1.939618503e-01 5.30 -1.860884920e-01 -1.860884920e-01 5.32 -1.784956672e-01 -1.784956672e-01 5.34 -1.711616739e-01 -1.711616739e-01 5.36 -1.640691862e-01 -1.640691862e-01 5.38 -1.572051848e-01 -1.572051848e-01 5.40 -1.505607622e-01 -1.505607622e-01 5.42 -1.441307930e-01 -1.441307930e-01 5.44 -1.379134653e-01 -1.379134653e-01 5.46 -1.319096775e-01 -1.319096775e-01 5.48 -1.261223239e-01 -1.261223239e-01 5.50 -1.205555017e-01 -1.205555017e-01 5.52 -1.152136936e-01 -1.152136936e-01 5.54 -1.101009812e-01 -1.101009812e-01 5.56 -1.052203474e-01 -1.052203474e-01 5.58 -1.005731188e-01 -1.005731188e-01 5.60 -9.615850722e-02 -9.615850722e-02 5.62 -9.197323110e-02 -9.197323110e-02 5.64 -8.801227368e-02 -8.801227368e-02 5.66 -8.426850326e-02 -8.426850326e-02 5.68 -8.073286310e-02 -8.073286310e-02 5.70 -7.739473491e-02 -7.739473491e-02 5.72 -7.424233755e-02 -7.424233755e-02 5.74 -7.126312443e-02 -7.126312443e-02 5.76 -6.844415165e-02 -6.844415165e-02 5.78 -6.577239859e-02 -6.577239859e-02 5.80 -6.323503134e-02 -6.323503134e-02 5.82 -6.081960712e-02 -6.081960712e-02 5.84 -5.851422271e-02 -5.851422271e-02 5.86 -5.630761405e-02 -5.630761405e-02 5.88 -5.418921545e-02 -5.418921545e-02 5.90 -5.214918788e-02 -5.214918788e-02 5.92 -5.017842508e-02 -5.017842508e-02 5.94 -4.826854598e-02 -4.826854598e-02 5.96 -4.641187993e-02 -4.641187993e-02 5.98 -4.460145099e-02 -4.460145099e-02 6.00 -4.283096529e-02 -4.283096529e-02