# 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 = CoPbTa2 # 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 3.784584217e+02 3.784584217e+02 1.30 3.522643820e+02 3.522643820e+02 1.32 3.279710298e+02 3.279710298e+02 1.34 3.054282953e+02 3.054282953e+02 1.36 2.844943273e+02 2.844943273e+02 1.38 2.650368606e+02 2.650368606e+02 1.40 2.469351607e+02 2.469351607e+02 1.42 2.300809755e+02 2.300809755e+02 1.44 2.143779093e+02 2.143779093e+02 1.46 1.997396649e+02 1.997396649e+02 1.48 1.860881367e+02 1.860881367e+02 1.50 1.733520682e+02 1.733520682e+02 1.52 1.614662613e+02 1.614662613e+02 1.54 1.503708812e+02 1.503708812e+02 1.56 1.400106694e+02 1.400106694e+02 1.58 1.303342267e+02 1.303342267e+02 1.60 1.212935692e+02 1.212935692e+02 1.62 1.128439963e+02 1.128439963e+02 1.64 1.049441002e+02 1.049441002e+02 1.66 9.755573683e+01 9.755573683e+01 1.68 9.064383729e+01 9.064383729e+01 1.70 8.417608210e+01 8.417608210e+01 1.72 7.812249656e+01 7.812249656e+01 1.74 7.245506738e+01 7.245506738e+01 1.76 6.714746569e+01 6.714746569e+01 1.78 6.217491702e+01 6.217491702e+01 1.80 5.751419240e+01 5.751419240e+01 1.82 5.314365032e+01 5.314365032e+01 1.84 4.904432222e+01 4.904432222e+01 1.86 4.520534917e+01 4.520534917e+01 1.88 4.161085696e+01 4.161085696e+01 1.90 3.824496236e+01 3.824496236e+01 1.92 3.509624582e+01 3.509624582e+01 1.94 3.215731025e+01 3.215731025e+01 1.96 2.941620310e+01 2.941620310e+01 1.98 2.686168824e+01 2.686168824e+01 2.00 2.448317716e+01 2.448317716e+01 2.02 2.227052082e+01 2.227052082e+01 2.04 2.021385779e+01 2.021385779e+01 2.06 1.830353464e+01 1.830353464e+01 2.08 1.653010507e+01 1.653010507e+01 2.10 1.488439889e+01 1.488439889e+01 2.12 1.335762572e+01 1.335762572e+01 2.14 1.194147681e+01 1.194147681e+01 2.16 1.062819757e+01 1.062819757e+01 2.18 9.410619550e+00 9.410619550e+00 2.20 8.282147547e+00 8.282147547e+00 2.22 7.236715347e+00 7.236715347e+00 2.24 6.268715729e+00 6.268715729e+00 2.26 5.372918934e+00 5.372918934e+00 2.28 4.544388351e+00 4.544388351e+00 2.30 3.778412863e+00 3.778412863e+00 2.32 3.070454116e+00 3.070454116e+00 2.34 2.416133485e+00 2.416133485e+00 2.36 1.811246207e+00 1.811246207e+00 2.38 1.251806198e+00 1.251806198e+00 2.40 7.341033004e-01 7.341033004e-01 2.42 2.547563536e-01 2.547563536e-01 2.44 -1.892551603e-01 -1.892551603e-01 2.46 -6.005867811e-01 -6.005867811e-01 2.48 -9.815537356e-01 -9.815537356e-01 2.50 -1.334176828e+00 -1.334176828e+00 2.52 -1.660203107e+00 -1.660203107e+00 2.54 -1.961049344e+00 -1.961049344e+00 2.56 -2.238364088e+00 -2.238364088e+00 2.58 -2.493720649e+00 -2.493720649e+00 2.60 -2.728572711e+00 -2.728572711e+00 2.62 -2.944269953e+00 -2.944269953e+00 2.64 -3.142065012e+00 -3.142065012e+00 2.66 -3.323110548e+00 -3.323110548e+00 2.68 -3.488448417e+00 -3.488448417e+00 2.70 -3.638776132e+00 -3.638776132e+00 2.72 -3.774571039e+00 -3.774571039e+00 2.74 -3.896333385e+00 -3.896333385e+00 2.76 -4.004580038e+00 -4.004580038e+00 2.78 -4.099833652e+00 -4.099833652e+00 2.80 -4.182614608e+00 -4.182614608e+00 2.82 -4.253435645e+00 -4.253435645e+00 2.84 -4.312798792e+00 -4.312798792e+00 2.86 -4.361211970e+00 -4.361211970e+00 2.88 -4.399173127e+00 -4.399173127e+00 2.90 -4.427120076e+00 -4.427120076e+00 2.92 -4.445487161e+00 -4.445487161e+00 2.94 -4.454707021e+00 -4.454707021e+00 2.96 -4.455209844e+00 -4.455209844e+00 2.98 -4.447421820e+00 -4.447421820e+00 3.00 -4.431762778e+00 -4.431762778e+00 3.02 -4.408643178e+00 -4.408643178e+00 3.04 -4.378456904e+00 -4.378456904e+00 3.06 -4.341549298e+00 -4.341549298e+00 3.08 -4.298234241e+00 -4.298234241e+00 3.10 -4.248821723e+00 -4.248821723e+00 3.12 -4.193620521e+00 -4.193620521e+00 3.14 -4.132949099e+00 -4.132949099e+00 3.16 -4.067140268e+00 -4.067140268e+00 3.18 -3.996556643e+00 -3.996556643e+00 3.20 -3.921600509e+00 -3.921600509e+00 3.22 -3.842722278e+00 -3.842722278e+00 3.24 -3.760424880e+00 -3.760424880e+00 3.26 -3.675262882e+00 -3.675262882e+00 3.28 -3.587835606e+00 -3.587835606e+00 3.30 -3.498774052e+00 -3.498774052e+00 3.32 -3.408722162e+00 -3.408722162e+00 3.34 -3.318313773e+00 -3.318313773e+00 3.36 -3.228147425e+00 -3.228147425e+00 3.38 -3.138761733e+00 -3.138761733e+00 3.40 -3.050614022e+00 -3.050614022e+00 3.42 -2.964065081e+00 -2.964065081e+00 3.44 -2.879370134e+00 -2.879370134e+00 3.46 -2.796678194e+00 -2.796678194e+00 3.48 -2.716037712e+00 -2.716037712e+00 3.50 -2.637428714e+00 -2.637428714e+00 3.52 -2.560753978e+00 -2.560753978e+00 3.54 -2.485791075e+00 -2.485791075e+00 3.56 -2.412279918e+00 -2.412279918e+00 3.58 -2.339940944e+00 -2.339940944e+00 3.60 -2.268490243e+00 -2.268490243e+00 3.62 -2.197653553e+00 -2.197653553e+00 3.64 -2.127168779e+00 -2.127168779e+00 3.66 -2.056782272e+00 -2.056782272e+00 3.68 -1.986284021e+00 -1.986284021e+00 3.70 -1.915521952e+00 -1.915521952e+00 3.72 -1.844410800e+00 -1.844410800e+00 3.74 -1.772938882e+00 -1.772938882e+00 3.76 -1.701171939e+00 -1.701171939e+00 3.78 -1.629253227e+00 -1.629253227e+00 3.80 -1.557399226e+00 -1.557399226e+00 3.82 -1.485890687e+00 -1.485890687e+00 3.84 -1.415059241e+00 -1.415059241e+00 3.86 -1.345270348e+00 -1.345270348e+00 3.88 -1.276903859e+00 -1.276903859e+00 3.90 -1.210333831e+00 -1.210333831e+00 3.92 -1.145908998e+00 -1.145908998e+00 3.94 -1.083937575e+00 -1.083937575e+00 3.96 -1.024672398e+00 -1.024672398e+00 3.98 -9.683043497e-01 -9.683043497e-01 4.00 -9.149586412e-01 -9.149586412e-01 4.02 -8.646958989e-01 -8.646958989e-01 4.04 -8.175169115e-01 -8.175169115e-01 4.06 -7.733700529e-01 -7.733700529e-01 4.08 -7.321603474e-01 -7.321603474e-01 4.10 -6.937578045e-01 -6.937578045e-01 4.12 -6.580129959e-01 -6.580129959e-01 4.14 -6.247566732e-01 -6.247566732e-01 4.16 -5.938141995e-01 -5.938141995e-01 4.18 -5.650103948e-01 -5.650103948e-01 4.20 -5.381747463e-01 -5.381747463e-01 4.22 -5.131452581e-01 -5.131452581e-01 4.24 -4.897710117e-01 -4.897710117e-01 4.26 -4.679135540e-01 -4.679135540e-01 4.28 -4.474472643e-01 -4.474472643e-01 4.30 -4.282588917e-01 -4.282588917e-01 4.32 -4.102464861e-01 -4.102464861e-01 4.34 -3.933179686e-01 -3.933179686e-01 4.36 -3.773895888e-01 -3.773895888e-01 4.38 -3.623844660e-01 -3.623844660e-01 4.40 -3.482313883e-01 -3.482313883e-01 4.42 -3.348639317e-01 -3.348639317e-01 4.44 -3.222198813e-01 -3.222198813e-01 4.46 -3.102409166e-01 -3.102409166e-01 4.48 -2.988724794e-01 -2.988724794e-01 4.50 -2.880633765e-01 -2.880633765e-01 4.52 -2.777660593e-01 -2.777660593e-01 4.54 -2.679376779e-01 -2.679376779e-01 4.56 -2.585386053e-01 -2.585386053e-01 4.58 -2.495323935e-01 -2.495323935e-01 4.60 -2.408856809e-01 -2.408856809e-01 4.62 -2.325680303e-01 -2.325680303e-01 4.64 -2.245517319e-01 -2.245517319e-01 4.66 -2.168116041e-01 -2.168116041e-01 4.68 -2.093248143e-01 -2.093248143e-01 4.70 -2.020707351e-01 -2.020707351e-01 4.72 -1.950308493e-01 -1.950308493e-01 4.74 -1.881887054e-01 -1.881887054e-01 4.76 -1.815299262e-01 -1.815299262e-01 4.78 -1.750422625e-01 -1.750422625e-01 4.80 -1.687148815e-01 -1.687148815e-01 4.82 -1.625417761e-01 -1.625417761e-01 4.84 -1.565166648e-01 -1.565166648e-01 4.86 -1.506366374e-01 -1.506366374e-01 4.88 -1.449011566e-01 -1.449011566e-01 4.90 -1.393118958e-01 -1.393118958e-01 4.92 -1.338724432e-01 -1.338724432e-01 4.94 -1.285878683e-01 -1.285878683e-01 4.96 -1.234641674e-01 -1.234641674e-01 4.98 -1.185076277e-01 -1.185076277e-01 5.00 -1.137241669e-01 -1.137241669e-01 5.02 -1.091187171e-01 -1.091187171e-01 5.04 -1.046947168e-01 -1.046947168e-01 5.06 -1.004537616e-01 -1.004537616e-01 5.08 -9.639544208e-02 -9.639544208e-02 5.10 -9.251736767e-02 -9.251736767e-02 5.12 -8.881535320e-02 -8.881535320e-02 5.14 -8.528372536e-02 -8.528372536e-02 5.16 -8.191569857e-02 -8.191569857e-02 5.18 -7.870377022e-02 -7.870377022e-02 5.20 -7.564009262e-02 -7.564009262e-02 5.22 -7.271679063e-02 -7.271679063e-02 5.24 -6.992620702e-02 -6.992620702e-02 5.26 -6.726106000e-02 -6.726106000e-02 5.28 -6.471448832e-02 -6.471448832e-02 5.30 -6.228021066e-02 -6.228021066e-02 5.32 -5.995243834e-02 -5.995243834e-02 5.34 -5.772579729e-02 -5.772579729e-02 5.36 -5.559525120e-02 -5.559525120e-02 5.38 -5.355601947e-02 -5.355601947e-02 5.40 -5.160350093e-02 -5.160350093e-02 5.42 -4.973321204e-02 -4.973321204e-02 5.44 -4.794074162e-02 -4.794074162e-02 5.46 -4.622172383e-02 -4.622172383e-02 5.48 -4.457182763e-02 -4.457182763e-02 5.50 -4.298676008e-02 -4.298676008e-02 5.52 -4.146227951e-02 -4.146227951e-02 5.54 -3.999421505e-02 -3.999421505e-02 5.56 -3.857848888e-02 -3.857848888e-02 5.58 -3.721113880e-02 -3.721113880e-02 5.60 -3.588833908e-02 -3.588833908e-02 5.62 -3.460641861e-02 -3.460641861e-02 5.64 -3.336187700e-02 -3.336187700e-02 5.66 -3.215139656e-02 -3.215139656e-02 5.68 -3.097185263e-02 -3.097185263e-02 5.70 -2.982032259e-02 -2.982032259e-02 5.72 -2.869409433e-02 -2.869409433e-02 5.74 -2.759067510e-02 -2.759067510e-02 5.76 -2.650780137e-02 -2.650780137e-02 5.78 -2.544345014e-02 -2.544345014e-02 5.80 -2.439585214e-02 -2.439585214e-02 5.82 -2.336350670e-02 -2.336350670e-02 5.84 -2.234519796e-02 -2.234519796e-02 5.86 -2.134001173e-02 -2.134001173e-02 5.88 -2.034735194e-02 -2.034735194e-02 5.90 -1.936695518e-02 -1.936695518e-02 5.92 -1.839890172e-02 -1.839890172e-02 5.94 -1.744360667e-02 -1.744360667e-02 5.96 -1.650176313e-02 -1.650176313e-02 5.98 -1.557449060e-02 -1.557449060e-02 6.00 -1.466323974e-02 -1.466323974e-02