# 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 = AuFe2Ta # 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 2.866895765e+02 2.866895765e+02 1.30 2.638068915e+02 2.638068915e+02 1.32 2.427117602e+02 2.427117602e+02 1.34 2.232510914e+02 2.232510914e+02 1.36 2.052891773e+02 2.052891773e+02 1.38 1.887047984e+02 1.887047984e+02 1.40 1.733888448e+02 1.733888448e+02 1.42 1.592428065e+02 1.592428065e+02 1.44 1.461779077e+02 1.461779077e+02 1.46 1.341142962e+02 1.341142962e+02 1.48 1.229797111e+02 1.229797111e+02 1.50 1.127074993e+02 1.127074993e+02 1.52 1.032344560e+02 1.032344560e+02 1.54 9.449933816e+01 9.449933816e+01 1.56 8.644263374e+01 8.644263374e+01 1.58 7.900739292e+01 7.900739292e+01 1.60 7.214038283e+01 7.214038283e+01 1.62 6.579292418e+01 6.579292418e+01 1.64 5.992121547e+01 5.992121547e+01 1.66 5.448627883e+01 5.448627883e+01 1.68 4.945370209e+01 4.945370209e+01 1.70 4.479322575e+01 4.479322575e+01 1.72 4.047813579e+01 4.047813579e+01 1.74 3.648564398e+01 3.648564398e+01 1.76 3.279871362e+01 3.279871362e+01 1.78 2.940389328e+01 2.940389328e+01 1.80 2.628828547e+01 2.628828547e+01 1.82 2.343053137e+01 2.343053137e+01 1.84 2.081080158e+01 2.081080158e+01 1.86 1.841079688e+01 1.841079688e+01 1.88 1.621373525e+01 1.621373525e+01 1.90 1.420417877e+01 1.420417877e+01 1.92 1.236773149e+01 1.236773149e+01 1.94 1.069070881e+01 1.069070881e+01 1.96 9.159891390e+00 9.159891390e+00 1.98 7.762448313e+00 7.762448313e+00 2.00 6.486051293e+00 6.486051293e+00 2.02 5.319128080e+00 5.319128080e+00 2.04 4.251150612e+00 4.251150612e+00 2.06 3.272847270e+00 3.272847270e+00 2.08 2.376269890e+00 2.376269890e+00 2.10 1.554709384e+00 1.554709384e+00 2.12 8.025044745e-01 8.025044745e-01 2.14 1.148072227e-01 1.148072227e-01 2.16 -5.126405273e-01 -5.126405273e-01 2.18 -1.083688764e+00 -1.083688764e+00 2.20 -1.601910419e+00 -1.601910419e+00 2.22 -2.070688021e+00 -2.070688021e+00 2.24 -2.493268101e+00 -2.493268101e+00 2.26 -2.872795329e+00 -2.872795329e+00 2.28 -3.212334316e+00 -3.212334316e+00 2.30 -3.514881799e+00 -3.514881799e+00 2.32 -3.783367818e+00 -3.783367818e+00 2.34 -4.020629842e+00 -4.020629842e+00 2.36 -4.229253143e+00 -4.229253143e+00 2.38 -4.412031588e+00 -4.412031588e+00 2.40 -4.571641220e+00 -4.571641220e+00 2.42 -4.710479725e+00 -4.710479725e+00 2.44 -4.830656367e+00 -4.830656367e+00 2.46 -4.933946377e+00 -4.933946377e+00 2.48 -5.021474381e+00 -5.021474381e+00 2.50 -5.094166426e+00 -5.094166426e+00 2.52 -5.152999806e+00 -5.152999806e+00 2.54 -5.198974873e+00 -5.198974873e+00 2.56 -5.233091793e+00 -5.233091793e+00 2.58 -5.256331352e+00 -5.256331352e+00 2.60 -5.269637659e+00 -5.269637659e+00 2.62 -5.273901654e+00 -5.273901654e+00 2.64 -5.269945900e+00 -5.269945900e+00 2.66 -5.258512531e+00 -5.258512531e+00 2.68 -5.240256591e+00 -5.240256591e+00 2.70 -5.215746010e+00 -5.215746010e+00 2.72 -5.185529709e+00 -5.185529709e+00 2.74 -5.150026409e+00 -5.150026409e+00 2.76 -5.109500339e+00 -5.109500339e+00 2.78 -5.064193158e+00 -5.064193158e+00 2.80 -5.014336103e+00 -5.014336103e+00 2.82 -4.960146853e+00 -4.960146853e+00 2.84 -4.901827289e+00 -4.901827289e+00 2.86 -4.839579763e+00 -4.839579763e+00 2.88 -4.773600031e+00 -4.773600031e+00 2.90 -4.704081271e+00 -4.704081271e+00 2.92 -4.631218894e+00 -4.631218894e+00 2.94 -4.555209028e+00 -4.555209028e+00 2.96 -4.476193324e+00 -4.476193324e+00 2.98 -4.394123213e+00 -4.394123213e+00 3.00 -4.308964833e+00 -4.308964833e+00 3.02 -4.220745735e+00 -4.220745735e+00 3.04 -4.129539939e+00 -4.129539939e+00 3.06 -4.035455560e+00 -4.035455560e+00 3.08 -3.938625612e+00 -3.938625612e+00 3.10 -3.839202636e+00 -3.839202636e+00 3.12 -3.737357675e+00 -3.737357675e+00 3.14 -3.633283763e+00 -3.633283763e+00 3.16 -3.527203480e+00 -3.527203480e+00 3.18 -3.419379265e+00 -3.419379265e+00 3.20 -3.310124415e+00 -3.310124415e+00 3.22 -3.199812180e+00 -3.199812180e+00 3.24 -3.088880317e+00 -3.088880317e+00 3.26 -2.977828880e+00 -2.977828880e+00 3.28 -2.867209924e+00 -2.867209924e+00 3.30 -2.757609051e+00 -2.757609051e+00 3.32 -2.649620126e+00 -2.649620126e+00 3.34 -2.543815750e+00 -2.543815750e+00 3.36 -2.440716961e+00 -2.440716961e+00 3.38 -2.340765867e+00 -2.340765867e+00 3.40 -2.244304445e+00 -2.244304445e+00 3.42 -2.151561695e+00 -2.151561695e+00 3.44 -2.062649982e+00 -2.062649982e+00 3.46 -1.977570055e+00 -1.977570055e+00 3.48 -1.896223160e+00 -1.896223160e+00 3.50 -1.818428084e+00 -1.818428084e+00 3.52 -1.743940852e+00 -1.743940852e+00 3.54 -1.672475032e+00 -1.672475032e+00 3.56 -1.603721114e+00 -1.603721114e+00 3.58 -1.537363955e+00 -1.537363955e+00 3.60 -1.473097813e+00 -1.473097813e+00 3.62 -1.410638815e+00 -1.410638815e+00 3.64 -1.349735000e+00 -1.349735000e+00 3.66 -1.290174114e+00 -1.290174114e+00 3.68 -1.231789329e+00 -1.231789329e+00 3.70 -1.174463016e+00 -1.174463016e+00 3.72 -1.118128538e+00 -1.118128538e+00 3.74 -1.062770005e+00 -1.062770005e+00 3.76 -1.008419861e+00 -1.008419861e+00 3.78 -9.551542426e-01 -9.551542426e-01 3.80 -9.030861435e-01 -9.030861435e-01 3.82 -8.523566302e-01 -8.523566302e-01 3.84 -8.031245514e-01 -8.031245514e-01 3.86 -7.555553226e-01 -7.555553226e-01 3.88 -7.098096671e-01 -7.098096671e-01 3.90 -6.660338467e-01 -6.660338467e-01 3.92 -6.243502981e-01 -6.243502981e-01 3.94 -5.848510407e-01 -5.848510407e-01 3.96 -5.475936564e-01 -5.475936564e-01 3.98 -5.125998486e-01 -5.125998486e-01 4.00 -4.798563837e-01 -4.798563837e-01 4.02 -4.493180173e-01 -4.493180173e-01 4.04 -4.209118837e-01 -4.209118837e-01 4.06 -3.945427871e-01 -3.945427871e-01 4.08 -3.700988709e-01 -3.700988709e-01 4.10 -3.474572220e-01 -3.474572220e-01 4.12 -3.264890848e-01 -3.264890848e-01 4.14 -3.070644458e-01 -3.070644458e-01 4.16 -2.890558878e-01 -2.890558878e-01 4.18 -2.723416466e-01 -2.723416466e-01 4.20 -2.568078821e-01 -2.568078821e-01 4.22 -2.423501986e-01 -2.423501986e-01 4.24 -2.288744716e-01 -2.288744716e-01 4.26 -2.162970474e-01 -2.162970474e-01 4.28 -2.045443955e-01 -2.045443955e-01 4.30 -1.935523090e-01 -1.935523090e-01 4.32 -1.832647546e-01 -1.832647546e-01 4.34 -1.736325106e-01 -1.736325106e-01 4.36 -1.646117209e-01 -1.646117209e-01 4.38 -1.561624976e-01 -1.561624976e-01 4.40 -1.482476928e-01 -1.482476928e-01 4.42 -1.408319055e-01 -1.408319055e-01 4.44 -1.338807866e-01 -1.338807866e-01 4.46 -1.273606355e-01 -1.273606355e-01 4.48 -1.212380682e-01 -1.212380682e-01 4.50 -1.154804315e-01 -1.154804315e-01 4.52 -1.100559862e-01 -1.100559862e-01 4.54 -1.049338934e-01 -1.049338934e-01 4.56 -1.000845050e-01 -1.000845050e-01 4.58 -9.547962079e-02 -9.547962079e-02 4.60 -9.109269422e-02 -9.109269422e-02 4.62 -8.689898096e-02 -8.689898096e-02 4.64 -8.287563589e-02 -8.287563589e-02 4.66 -7.900177030e-02 -7.900177030e-02 4.68 -7.525848380e-02 -7.525848380e-02 4.70 -7.162888514e-02 -7.162888514e-02 4.72 -6.809811406e-02 -6.809811406e-02 4.74 -6.465337265e-02 -6.465337265e-02 4.76 -6.128397047e-02 -6.128397047e-02 4.78 -5.798138231e-02 -5.798138231e-02 4.80 -5.473931220e-02 -5.473931220e-02 4.82 -5.155375571e-02 -5.155375571e-02 4.84 -4.842303634e-02 -4.842303634e-02 4.86 -4.534780872e-02 -4.534780872e-02 4.88 -4.233099924e-02 -4.233099924e-02 4.90 -3.937766859e-02 -3.937766859e-02 4.92 -3.649478082e-02 -3.649478082e-02 4.94 -3.369087201e-02 -3.369087201e-02 4.96 -3.097562298e-02 -3.097562298e-02 4.98 -2.835934819e-02 -2.835934819e-02 5.00 -2.585243349e-02 -2.585243349e-02 5.02 -2.346476002e-02 -2.346476002e-02 5.04 -2.120515485e-02 -2.120515485e-02 5.06 -1.908091231e-02 -1.908091231e-02 5.08 -1.709742247e-02 -1.709742247e-02 5.10 -1.525760477e-02 -1.525760477e-02 5.12 -1.356224536e-02 -1.356224536e-02 5.14 -1.201048805e-02 -1.201048805e-02 5.16 -1.059932285e-02 -1.059932285e-02 5.18 -9.323859933e-03 -9.323859933e-03 5.20 -8.177669453e-03 -8.177669453e-03 5.22 -7.153148428e-03 -7.153148428e-03 5.24 -6.241885509e-03 -6.241885509e-03 5.26 -5.435000748e-03 -5.435000748e-03 5.28 -4.723444711e-03 -4.723444711e-03 5.30 -4.098248249e-03 -4.098248249e-03 5.32 -3.550720060e-03 -3.550720060e-03 5.34 -3.072593715e-03 -3.072593715e-03 5.36 -2.656128801e-03 -2.656128801e-03 5.38 -2.294172591e-03 -2.294172591e-03 5.40 -1.980189311e-03 -1.980189311e-03 5.42 -1.708263996e-03 -1.708263996e-03 5.44 -1.473087357e-03 -1.473087357e-03 5.46 -1.269927252e-03 -1.269927252e-03 5.48 -1.094591381e-03 -1.094591381e-03 5.50 -9.433849093e-04 -9.433849093e-04 5.52 -8.130658732e-04 -8.130658732e-04 5.54 -7.008004522e-04 -7.008004522e-04 5.56 -6.041195925e-04 -6.041195925e-04 5.58 -5.208779646e-04 -5.208779646e-04 5.60 -4.492158521e-04 -4.492158521e-04 5.62 -3.875242822e-04 -3.875242822e-04 5.64 -3.344134943e-04 -3.344134943e-04 5.66 -2.886847011e-04 -2.886847011e-04 5.68 -2.493049944e-04 -2.493049944e-04 5.70 -2.153851902e-04 -2.153851902e-04 5.72 -1.861603740e-04 -1.861603740e-04 5.74 -1.609728937e-04 -1.609728937e-04 5.76 -1.392575474e-04 -1.392575474e-04 5.78 -1.205287236e-04 -1.205287236e-04 5.80 -1.043692652e-04 -1.043692652e-04 5.82 -9.042084832e-05 -9.042084832e-05 5.84 -7.837568280e-05 -7.837568280e-05 5.86 -6.796936574e-05 -6.796936574e-05 5.88 -5.897473374e-05 -5.897473374e-05 5.90 -5.119658019e-05 -5.119658019e-05 5.92 -4.446711930e-05 -4.446711930e-05 5.94 -3.864209357e-05 -3.864209357e-05 5.96 -3.359743508e-05 -3.359743508e-05 5.98 -2.922640271e-05 -2.922640271e-05 6.00 -2.543712790e-05 -2.543712790e-05