# 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 = AgCoFe2 # 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 1.977960826e+02 1.977960826e+02 1.30 1.810215885e+02 1.810215885e+02 1.32 1.656330646e+02 1.656330646e+02 1.34 1.515077062e+02 1.515077062e+02 1.36 1.385364323e+02 1.385364323e+02 1.38 1.266224259e+02 1.266224259e+02 1.40 1.156790347e+02 1.156790347e+02 1.42 1.056277436e+02 1.056277436e+02 1.44 9.639658856e+01 9.639658856e+01 1.46 8.791923158e+01 8.791923158e+01 1.48 8.013472031e+01 8.013472031e+01 1.50 7.298748123e+01 7.298748123e+01 1.52 6.642693275e+01 6.642693275e+01 1.54 6.040665863e+01 6.040665863e+01 1.56 5.488359826e+01 5.488359826e+01 1.58 4.981756730e+01 4.981756730e+01 1.60 4.517103635e+01 4.517103635e+01 1.62 4.090882457e+01 4.090882457e+01 1.64 3.699955442e+01 3.699955442e+01 1.66 3.341531077e+01 3.341531077e+01 1.68 3.012839240e+01 3.012839240e+01 1.70 2.711351335e+01 2.711351335e+01 1.72 2.434785586e+01 2.434785586e+01 1.74 2.181086333e+01 2.181086333e+01 1.76 1.948395176e+01 1.948395176e+01 1.78 1.735026900e+01 1.735026900e+01 1.80 1.539453761e+01 1.539453761e+01 1.82 1.360292380e+01 1.360292380e+01 1.84 1.196287273e+01 1.196287273e+01 1.86 1.046290493e+01 1.046290493e+01 1.88 9.092403096e+00 9.092403096e+00 1.90 7.841417328e+00 7.841417328e+00 1.92 6.700508146e+00 6.700508146e+00 1.94 5.660645556e+00 5.660645556e+00 1.96 4.713178600e+00 4.713178600e+00 1.98 3.849875820e+00 3.849875820e+00 2.00 3.063017981e+00 3.063017981e+00 2.02 2.345508233e+00 2.345508233e+00 2.04 1.690958127e+00 1.690958127e+00 2.06 1.093718365e+00 1.093718365e+00 2.08 5.488470253e-01 5.488470253e-01 2.10 5.202939358e-02 5.202939358e-02 2.12 -4.005270972e-01 -4.005270972e-01 2.14 -8.121995829e-01 -8.121995829e-01 2.16 -1.186040522e+00 -1.186040522e+00 2.18 -1.524843718e+00 -1.524843718e+00 2.20 -1.831186487e+00 -1.831186487e+00 2.22 -2.107455344e+00 -2.107455344e+00 2.24 -2.355863464e+00 -2.355863464e+00 2.26 -2.578465039e+00 -2.578465039e+00 2.28 -2.777168117e+00 -2.777168117e+00 2.30 -2.953745850e+00 -2.953745850e+00 2.32 -3.109845895e+00 -3.109845895e+00 2.34 -3.246998206e+00 -3.246998206e+00 2.36 -3.366633786e+00 -3.366633786e+00 2.38 -3.470113427e+00 -3.470113427e+00 2.40 -3.558601201e+00 -3.558601201e+00 2.42 -3.633177393e+00 -3.633177393e+00 2.44 -3.694864558e+00 -3.694864558e+00 2.46 -3.744636685e+00 -3.744636685e+00 2.48 -3.783428238e+00 -3.783428238e+00 2.50 -3.812146875e+00 -3.812146875e+00 2.52 -3.831603149e+00 -3.831603149e+00 2.54 -3.842533117e+00 -3.842533117e+00 2.56 -3.845680135e+00 -3.845680135e+00 2.58 -3.841789577e+00 -3.841789577e+00 2.60 -3.831594803e+00 -3.831594803e+00 2.62 -3.815797531e+00 -3.815797531e+00 2.64 -3.795008962e+00 -3.795008962e+00 2.66 -3.769504586e+00 -3.769504586e+00 2.68 -3.739248506e+00 -3.739248506e+00 2.70 -3.704236043e+00 -3.704236043e+00 2.72 -3.664507714e+00 -3.664507714e+00 2.74 -3.620145823e+00 -3.620145823e+00 2.76 -3.571276223e+00 -3.571276223e+00 2.78 -3.518073008e+00 -3.518073008e+00 2.80 -3.460770062e+00 -3.460770062e+00 2.82 -3.399654118e+00 -3.399654118e+00 2.84 -3.335053720e+00 -3.335053720e+00 2.86 -3.267330409e+00 -3.267330409e+00 2.88 -3.196865933e+00 -3.196865933e+00 2.90 -3.124047214e+00 -3.124047214e+00 2.92 -3.049251500e+00 -3.049251500e+00 2.94 -2.972834153e+00 -2.972834153e+00 2.96 -2.895120817e+00 -2.895120817e+00 2.98 -2.816404511e+00 -2.816404511e+00 3.00 -2.736946860e+00 -2.736946860e+00 3.02 -2.656981683e+00 -2.656981683e+00 3.04 -2.576718862e+00 -2.576718862e+00 3.06 -2.496347106e+00 -2.496347106e+00 3.08 -2.416035395e+00 -2.416035395e+00 3.10 -2.335934193e+00 -2.335934193e+00 3.12 -2.256178050e+00 -2.256178050e+00 3.14 -2.176890802e+00 -2.176890802e+00 3.16 -2.098193503e+00 -2.098193503e+00 3.18 -2.020214004e+00 -2.020214004e+00 3.20 -1.943096317e+00 -1.943096317e+00 3.22 -1.867007727e+00 -1.867007727e+00 3.24 -1.792141984e+00 -1.792141984e+00 3.26 -1.718717651e+00 -1.718717651e+00 3.28 -1.646971510e+00 -1.646971510e+00 3.30 -1.577147827e+00 -1.577147827e+00 3.32 -1.509484914e+00 -1.509484914e+00 3.34 -1.444200895e+00 -1.444200895e+00 3.36 -1.381480613e+00 -1.381480613e+00 3.38 -1.321465353e+00 -1.321465353e+00 3.40 -1.264246494e+00 -1.264246494e+00 3.42 -1.209863505e+00 -1.209863505e+00 3.44 -1.158305998e+00 -1.158305998e+00 3.46 -1.109519086e+00 -1.109519086e+00 3.48 -1.063410941e+00 -1.063410941e+00 3.50 -1.019861451e+00 -1.019861451e+00 3.52 -9.787309632e-01 -9.787309632e-01 3.54 -9.398683615e-01 -9.398683615e-01 3.56 -9.031180022e-01 -9.031180022e-01 3.58 -8.683252727e-01 -8.683252727e-01 3.60 -8.353407513e-01 -8.353407513e-01 3.62 -8.040230755e-01 -8.040230755e-01 3.64 -7.742407061e-01 -7.742407061e-01 3.66 -7.458728051e-01 -7.458728051e-01 3.68 -7.188094392e-01 -7.188094392e-01 3.70 -6.929513040e-01 -6.929513040e-01 3.72 -6.682091270e-01 -6.682091270e-01 3.74 -6.445028782e-01 -6.445028782e-01 3.76 -6.217608850e-01 -6.217608850e-01 3.78 -5.999189179e-01 -5.999189179e-01 3.80 -5.789192978e-01 -5.789192978e-01 3.82 -5.587100515e-01 -5.587100515e-01 3.84 -5.392441353e-01 -5.392441353e-01 3.86 -5.204787338e-01 -5.204787338e-01 3.88 -5.023746382e-01 -5.023746382e-01 3.90 -4.848957010e-01 -4.848957010e-01 3.92 -4.680083663e-01 -4.680083663e-01 3.94 -4.516812738e-01 -4.516812738e-01 3.96 -4.358849285e-01 -4.358849285e-01 3.98 -4.205914429e-01 -4.205914429e-01 4.00 -4.057743462e-01 -4.057743462e-01 4.02 -3.914084650e-01 -3.914084650e-01 4.04 -3.774698787e-01 -3.774698787e-01 4.06 -3.639359549e-01 -3.639359549e-01 4.08 -3.507854680e-01 -3.507854680e-01 4.10 -3.379988020e-01 -3.379988020e-01 4.12 -3.255582399e-01 -3.255582399e-01 4.14 -3.134483087e-01 -3.134483087e-01 4.16 -3.016561786e-01 -3.016561786e-01 4.18 -2.901720554e-01 -2.901720554e-01 4.20 -2.789895139e-01 -2.789895139e-01 4.22 -2.681056997e-01 -2.681056997e-01 4.24 -2.575213219e-01 -2.575213219e-01 4.26 -2.472403702e-01 -2.472403702e-01 4.28 -2.372695198e-01 -2.372695198e-01 4.30 -2.276172330e-01 -2.276172330e-01 4.32 -2.182926220e-01 -2.182926220e-01 4.34 -2.093041885e-01 -2.093041885e-01 4.36 -2.006584719e-01 -2.006584719e-01 4.38 -1.923590629e-01 -1.923590629e-01 4.40 -1.844062272e-01 -1.844062272e-01 4.42 -1.767960891e-01 -1.767960891e-01 4.44 -1.695205967e-01 -1.695205967e-01 4.46 -1.625677969e-01 -1.625677969e-01 4.48 -1.559222983e-01 -1.559222983e-01 4.50 -1.495662931e-01 -1.495662931e-01 4.52 -1.434800345e-01 -1.434800345e-01 4.54 -1.376425025e-01 -1.376425025e-01 4.56 -1.320320398e-01 -1.320320398e-01 4.58 -1.266268826e-01 -1.266268826e-01 4.60 -1.214055867e-01 -1.214055867e-01 4.62 -1.163473552e-01 -1.163473552e-01 4.64 -1.114322913e-01 -1.114322913e-01 4.66 -1.066415993e-01 -1.066415993e-01 4.68 -1.019577591e-01 -1.019577591e-01 4.70 -9.736469832e-02 -9.736469832e-02 4.72 -9.284797900e-02 -9.284797900e-02 4.74 -8.839501480e-02 -8.839501480e-02 4.76 -8.399532252e-02 -8.399532252e-02 4.78 -7.964080630e-02 -7.964080630e-02 4.80 -7.532606098e-02 -7.532606098e-02 4.82 -7.104867502e-02 -7.104867502e-02 4.84 -6.680948957e-02 -6.680948957e-02 4.86 -6.261278432e-02 -6.261278432e-02 4.88 -5.846633296e-02 -5.846633296e-02 4.90 -5.438128747e-02 -5.438128747e-02 4.92 -5.037185544e-02 -5.037185544e-02 4.94 -4.645475501e-02 -4.645475501e-02 4.96 -4.264845830e-02 -4.264845830e-02 4.98 -3.897226439e-02 -3.897226439e-02 5.00 -3.544527114e-02 -3.544527114e-02 5.02 -3.208533461e-02 -3.208533461e-02 5.04 -2.890811123e-02 -2.890811123e-02 5.06 -2.592626377e-02 -2.592626377e-02 5.08 -2.314890587e-02 -2.314890587e-02 5.10 -2.058130910e-02 -2.058130910e-02 5.12 -1.822487412e-02 -1.822487412e-02 5.14 -1.607725556e-02 -1.607725556e-02 5.16 -1.413231734e-02 -1.413231734e-02 5.18 -1.238208633e-02 -1.238208633e-02 5.20 -1.081647180e-02 -1.081647180e-02 5.22 -9.423663085e-03 -9.423663085e-03 5.24 -8.190751326e-03 -8.190751326e-03 5.26 -7.104279428e-03 -7.104279428e-03 5.28 -6.150703408e-03 -6.150703408e-03 5.30 -5.316759606e-03 -5.316759606e-03 5.32 -4.589740767e-03 -4.589740767e-03 5.34 -3.957689561e-03 -3.957689561e-03 5.36 -3.409521177e-03 -3.409521177e-03 5.38 -2.935087772e-03 -2.935087772e-03 5.40 -2.525197314e-03 -2.525197314e-03 5.42 -2.171598277e-03 -2.171598277e-03 5.44 -1.866940098e-03 -1.866940098e-03 5.46 -1.604717607e-03 -1.604717607e-03 5.48 -1.379205945e-03 -1.379205945e-03 5.50 -1.185390994e-03 -1.185390994e-03 5.52 -1.018898987e-03 -1.018898987e-03 5.54 -8.759279308e-04 -8.759279308e-04 5.56 -7.531825395e-04 -7.531825395e-04 5.58 -6.478137725e-04 -6.478137725e-04 5.60 -5.573635162e-04 -5.573635162e-04 5.62 -4.797146110e-04 -4.797146110e-04 5.64 -4.130461620e-04 -4.130461620e-04 5.66 -3.557939039e-04 -3.557939039e-04 5.68 -3.066152882e-04 -3.066152882e-04 5.70 -2.643589034e-04 -2.643589034e-04 5.72 -2.280378152e-04 -2.280378152e-04 5.74 -1.968064152e-04 -1.968064152e-04 5.76 -1.699403824e-04 -1.699403824e-04 5.78 -1.468193842e-04 -1.468193842e-04 5.80 -1.269121781e-04 -1.269121781e-04 5.82 -1.097638027e-04 -1.097638027e-04 5.84 -9.498458262e-05 -9.498458262e-05 5.86 -8.224070288e-05 -8.224070288e-05 5.88 -7.124613474e-05 -7.124613474e-05 5.90 -6.175572644e-05 -6.175572644e-05 5.92 -5.355929335e-05 -5.355929335e-05 5.94 -4.647656533e-05 -4.647656533e-05 5.96 -4.035286844e-05 -4.035286844e-05 5.98 -3.505543475e-05 -3.505543475e-05 6.00 -3.047024927e-05 -3.047024927e-05