# 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 = Au2MoZr # 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 3.962040016e+02 3.962040016e+02 1.30 3.685090191e+02 3.685090191e+02 1.32 3.428057059e+02 3.428057059e+02 1.34 3.189345253e+02 3.189345253e+02 1.36 2.967533532e+02 2.967533532e+02 1.38 2.761351359e+02 2.761351359e+02 1.40 2.569647240e+02 2.569647240e+02 1.42 2.391359244e+02 2.391359244e+02 1.44 2.225496826e+02 2.225496826e+02 1.46 2.071129209e+02 2.071129209e+02 1.48 1.927379488e+02 1.927379488e+02 1.50 1.793430541e+02 1.793430541e+02 1.52 1.668537973e+02 1.668537973e+02 1.54 1.552034283e+02 1.552034283e+02 1.56 1.443319677e+02 1.443319677e+02 1.58 1.341844222e+02 1.341844222e+02 1.60 1.247093286e+02 1.247093286e+02 1.62 1.158580425e+02 1.158580425e+02 1.64 1.075847298e+02 1.075847298e+02 1.66 9.984654294e+01 9.984654294e+01 1.68 9.260387686e+01 9.260387686e+01 1.70 8.582059052e+01 8.582059052e+01 1.72 7.946414070e+01 7.946414070e+01 1.74 7.350558947e+01 7.350558947e+01 1.76 6.791946725e+01 6.791946725e+01 1.78 6.268340681e+01 6.268340681e+01 1.80 5.777753337e+01 5.777753337e+01 1.82 5.318364709e+01 5.318364709e+01 1.84 4.888455620e+01 4.888455620e+01 1.86 4.486363078e+01 4.486363078e+01 1.88 4.110482597e+01 4.110482597e+01 1.90 3.759385597e+01 3.759385597e+01 1.92 3.433374984e+01 3.433374984e+01 1.94 3.131263834e+01 3.131263834e+01 1.96 2.851278391e+01 2.851278391e+01 1.98 2.591749529e+01 2.591749529e+01 2.00 2.351118732e+01 2.351118732e+01 2.02 2.127941406e+01 2.127941406e+01 2.04 1.920888037e+01 1.920888037e+01 2.06 1.728741440e+01 1.728741440e+01 2.08 1.550389209e+01 1.550389209e+01 2.10 1.384815490e+01 1.384815490e+01 2.12 1.231088913e+01 1.231088913e+01 2.14 1.088353400e+01 1.088353400e+01 2.16 9.558193945e+00 9.558193945e+00 2.18 8.327572828e+00 8.327572828e+00 2.20 7.184940656e+00 7.184940656e+00 2.22 6.124100737e+00 6.124100737e+00 2.24 5.139363740e+00 5.139363740e+00 2.26 4.225520724e+00 4.225520724e+00 2.28 3.377803635e+00 3.377803635e+00 2.30 2.591862796e+00 2.591862796e+00 2.32 1.863722834e+00 1.863722834e+00 2.34 1.189723240e+00 1.189723240e+00 2.36 5.664794740e-01 5.664794740e-01 2.38 -9.164566489e-03 -9.164566489e-03 2.40 -5.401718290e-01 -5.401718290e-01 2.42 -1.029340711e+00 -1.029340711e+00 2.44 -1.479315910e+00 -1.479315910e+00 2.46 -1.892596925e+00 -1.892596925e+00 2.48 -2.271535378e+00 -2.271535378e+00 2.50 -2.618332642e+00 -2.618332642e+00 2.52 -2.935043940e+00 -2.935043940e+00 2.54 -3.223591829e+00 -3.223591829e+00 2.56 -3.485785264e+00 -3.485785264e+00 2.58 -3.723336428e+00 -3.723336428e+00 2.60 -3.937868929e+00 -3.937868929e+00 2.62 -4.130916234e+00 -4.130916234e+00 2.64 -4.303958451e+00 -4.303958451e+00 2.66 -4.458341353e+00 -4.458341353e+00 2.68 -4.595202732e+00 -4.595202732e+00 2.70 -4.715558411e+00 -4.715558411e+00 2.72 -4.820313360e+00 -4.820313360e+00 2.74 -4.910509459e+00 -4.910509459e+00 2.76 -4.987134532e+00 -4.987134532e+00 2.78 -5.051093725e+00 -5.051093725e+00 2.80 -5.103063659e+00 -5.103063659e+00 2.82 -5.143613513e+00 -5.143613513e+00 2.84 -5.173313757e+00 -5.173313757e+00 2.86 -5.192732110e+00 -5.192732110e+00 2.88 -5.202384882e+00 -5.202384882e+00 2.90 -5.202665434e+00 -5.202665434e+00 2.92 -5.193986064e+00 -5.193986064e+00 2.94 -5.176805285e+00 -5.176805285e+00 2.96 -5.151625886e+00 -5.151625886e+00 2.98 -5.118990871e+00 -5.118990871e+00 3.00 -5.079476206e+00 -5.079476206e+00 3.02 -5.033759365e+00 -5.033759365e+00 3.04 -4.982493508e+00 -4.982493508e+00 3.06 -4.926154577e+00 -4.926154577e+00 3.08 -4.865210214e+00 -4.865210214e+00 3.10 -4.800117687e+00 -4.800117687e+00 3.12 -4.731305913e+00 -4.731305913e+00 3.14 -4.659171677e+00 -4.659171677e+00 3.16 -4.584066404e+00 -4.584066404e+00 3.18 -4.506301153e+00 -4.506301153e+00 3.20 -4.426138253e+00 -4.426138253e+00 3.22 -4.343799159e+00 -4.343799159e+00 3.24 -4.259482989e+00 -4.259482989e+00 3.26 -4.173376718e+00 -4.173376718e+00 3.28 -4.085665487e+00 -4.085665487e+00 3.30 -3.996542004e+00 -3.996542004e+00 3.32 -3.906213586e+00 -3.906213586e+00 3.34 -3.814905909e+00 -3.814905909e+00 3.36 -3.722863449e+00 -3.722863449e+00 3.38 -3.630347300e+00 -3.630347300e+00 3.40 -3.537630349e+00 -3.537630349e+00 3.42 -3.444997193e+00 -3.444997193e+00 3.44 -3.352731971e+00 -3.352731971e+00 3.46 -3.261117923e+00 -3.261117923e+00 3.48 -3.170429926e+00 -3.170429926e+00 3.50 -3.080927885e+00 -3.080927885e+00 3.52 -2.992850046e+00 -2.992850046e+00 3.54 -2.906406813e+00 -2.906406813e+00 3.56 -2.821775755e+00 -2.821775755e+00 3.58 -2.739098297e+00 -2.739098297e+00 3.60 -2.658478411e+00 -2.658478411e+00 3.62 -2.579983272e+00 -2.579983272e+00 3.64 -2.503645701e+00 -2.503645701e+00 3.66 -2.429467999e+00 -2.429467999e+00 3.68 -2.357426762e+00 -2.357426762e+00 3.70 -2.287478266e+00 -2.287478266e+00 3.72 -2.219564064e+00 -2.219564064e+00 3.74 -2.153616499e+00 -2.153616499e+00 3.76 -2.089563894e+00 -2.089563894e+00 3.78 -2.027335187e+00 -2.027335187e+00 3.80 -1.966863761e+00 -1.966863761e+00 3.82 -1.908090247e+00 -1.908090247e+00 3.84 -1.850964038e+00 -1.850964038e+00 3.86 -1.795443384e+00 -1.795443384e+00 3.88 -1.741494092e+00 -1.741494092e+00 3.90 -1.689087083e+00 -1.689087083e+00 3.92 -1.638193501e+00 -1.638193501e+00 3.94 -1.588789033e+00 -1.588789033e+00 3.96 -1.540839531e+00 -1.540839531e+00 3.98 -1.494307761e+00 -1.494307761e+00 4.00 -1.449150772e+00 -1.449150772e+00 4.02 -1.405320535e+00 -1.405320535e+00 4.04 -1.362765349e+00 -1.362765349e+00 4.06 -1.321431638e+00 -1.321431638e+00 4.08 -1.281265814e+00 -1.281265814e+00 4.10 -1.242211942e+00 -1.242211942e+00 4.12 -1.204230068e+00 -1.204230068e+00 4.14 -1.167270613e+00 -1.167270613e+00 4.16 -1.131293952e+00 -1.131293952e+00 4.18 -1.096265915e+00 -1.096265915e+00 4.20 -1.062158043e+00 -1.062158043e+00 4.22 -1.028947596e+00 -1.028947596e+00 4.24 -9.966173185e-01 -9.966173185e-01 4.26 -9.651549334e-01 -9.651549334e-01 4.28 -9.345523662e-01 -9.345523662e-01 4.30 -9.048047024e-01 -9.048047024e-01 4.32 -8.759089304e-01 -8.759089304e-01 4.34 -8.478625527e-01 -8.478625527e-01 4.36 -8.206621796e-01 -8.206621796e-01 4.38 -7.943022376e-01 -7.943022376e-01 4.40 -7.687739120e-01 -7.687739120e-01 4.42 -7.440644180e-01 -7.440644180e-01 4.44 -7.201566459e-01 -7.201566459e-01 4.46 -6.970291751e-01 -6.970291751e-01 4.48 -6.746566084e-01 -6.746566084e-01 4.50 -6.530101455e-01 -6.530101455e-01 4.52 -6.320583040e-01 -6.320583040e-01 4.54 -6.117676993e-01 -6.117676993e-01 4.56 -5.921038108e-01 -5.921038108e-01 4.58 -5.730316858e-01 -5.730316858e-01 4.60 -5.545165534e-01 -5.545165534e-01 4.62 -5.365243429e-01 -5.365243429e-01 4.64 -5.190221149e-01 -5.190221149e-01 4.66 -5.019784227e-01 -5.019784227e-01 4.68 -4.853636263e-01 -4.853636263e-01 4.70 -4.691501810e-01 -4.691501810e-01 4.72 -4.533129174e-01 -4.533129174e-01 4.74 -4.378293281e-01 -4.378293281e-01 4.76 -4.226798629e-01 -4.226798629e-01 4.78 -4.078482312e-01 -4.078482312e-01 4.80 -3.933185743e-01 -3.933185743e-01 4.82 -3.790887536e-01 -3.790887536e-01 4.84 -3.651501368e-01 -3.651501368e-01 4.86 -3.515019882e-01 -3.515019882e-01 4.88 -3.381476774e-01 -3.381476774e-01 4.90 -3.250944779e-01 -3.250944779e-01 4.92 -3.123531651e-01 -3.123531651e-01 4.94 -2.999373993e-01 -2.999373993e-01 4.96 -2.878629032e-01 -2.878629032e-01 4.98 -2.761464677e-01 -2.761464677e-01 5.00 -2.648048432e-01 -2.648048432e-01 5.02 -2.538535946e-01 -2.538535946e-01 5.04 -2.433060090e-01 -2.433060090e-01 5.06 -2.331721437e-01 -2.331721437e-01 5.08 -2.234580912e-01 -2.234580912e-01 5.10 -2.141655134e-01 -2.141655134e-01 5.12 -2.052914681e-01 -2.052914681e-01 5.14 -1.968285223e-01 -1.968285223e-01 5.16 -1.887651197e-01 -1.887651197e-01 5.18 -1.810861496e-01 -1.810861496e-01 5.20 -1.737736392e-01 -1.737736392e-01 5.22 -1.668073643e-01 -1.668073643e-01 5.24 -1.601661407e-01 -1.601661407e-01 5.26 -1.538283422e-01 -1.538283422e-01 5.28 -1.477725164e-01 -1.477725164e-01 5.30 -1.419780335e-01 -1.419780335e-01 5.32 -1.364256250e-01 -1.364256250e-01 5.34 -1.310978060e-01 -1.310978060e-01 5.36 -1.259791770e-01 -1.259791770e-01 5.38 -1.210566035e-01 -1.210566035e-01 5.40 -1.163192764e-01 -1.163192764e-01 5.42 -1.117586516e-01 -1.117586516e-01 5.44 -1.073682755e-01 -1.073682755e-01 5.46 -1.031435104e-01 -1.031435104e-01 5.48 -9.908117762e-02 -9.908117762e-02 5.50 -9.517913829e-02 -9.517913829e-02 5.52 -9.143585359e-02 -9.143585359e-02 5.54 -8.784995309e-02 -8.784995309e-02 5.56 -8.441984237e-02 -8.441984237e-02 5.58 -8.114338044e-02 -8.114338044e-02 5.60 -7.801761699e-02 -7.801761699e-02 5.62 -7.503854301e-02 -7.503854301e-02 5.64 -7.220146091e-02 -7.220146091e-02 5.66 -6.950077371e-02 -6.950077371e-02 5.68 -6.693004519e-02 -6.693004519e-02 5.70 -6.448216514e-02 -6.448216514e-02 5.72 -6.214953516e-02 -6.214953516e-02 5.74 -5.992425612e-02 -5.992425612e-02 5.76 -5.779830263e-02 -5.779830263e-02 5.78 -5.576367493e-02 -5.576367493e-02 5.80 -5.381252322e-02 -5.381252322e-02 5.82 -5.193724327e-02 -5.193724327e-02 5.84 -5.013054510e-02 -5.013054510e-02 5.86 -4.838549816e-02 -4.838549816e-02 5.88 -4.669555780e-02 -4.669555780e-02 5.90 -4.505457773e-02 -4.505457773e-02 5.92 -4.345681355e-02 -4.345681355e-02 5.94 -4.189692141e-02 -4.189692141e-02 5.96 -4.036995598e-02 -4.036995598e-02 5.98 -3.887137067e-02 -3.887137067e-02 6.00 -3.739702269e-02 -3.739702269e-02