# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AgAu2Pd # 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 2026-08-31 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 4.911078972e+06 4.911078972e+06 0.88 4.488650533e+06 4.488650533e+06 0.90 4.103325275e+06 4.103325275e+06 0.92 3.751154922e+06 3.751154922e+06 0.94 3.428691126e+06 3.428691126e+06 0.96 3.132917796e+06 3.132917796e+06 0.98 2.861139062e+06 2.861139062e+06 1.00 2.610994103e+06 2.610994103e+06 1.02 2.380413028e+06 2.380413028e+06 1.04 2.167552599e+06 2.167552599e+06 1.06 1.970773138e+06 1.970773138e+06 1.08 1.788629130e+06 1.788629130e+06 1.10 1.619771474e+06 1.619771474e+06 1.12 1.463045724e+06 1.463045724e+06 1.14 1.317415673e+06 1.317415673e+06 1.16 1.181913271e+06 1.181913271e+06 1.18 1.055697240e+06 1.055697240e+06 1.20 9.380191663e+05 9.380191663e+05 1.22 8.281850441e+05 8.281850441e+05 1.24 7.255718676e+05 7.255718676e+05 1.26 6.296285008e+05 6.296285008e+05 1.28 5.398511687e+05 5.398511687e+05 1.30 4.557552844e+05 4.557552844e+05 1.32 3.769008029e+05 3.769008029e+05 1.34 3.048627223e+05 3.048627223e+05 1.36 2.442781060e+05 2.442781060e+05 1.38 1.959121728e+05 1.959121728e+05 1.40 1.573383032e+05 1.573383032e+05 1.42 1.265234240e+05 1.265234240e+05 1.44 1.018663369e+05 1.018663369e+05 1.46 8.210883618e+04 8.210883618e+04 1.48 6.625627950e+04 6.625627950e+04 1.50 5.351893623e+04 5.351893623e+04 1.52 4.327086040e+04 4.327086040e+04 1.54 3.501641782e+04 3.501641782e+04 1.56 2.835985071e+04 2.835985071e+04 1.58 2.298455112e+04 2.298455112e+04 1.60 1.863941631e+04 1.863941631e+04 1.62 1.512422627e+04 1.512422627e+04 1.64 1.227824009e+04 1.227824009e+04 1.66 9.971983895e+03 9.971983895e+03 1.68 8.101260570e+03 8.101260570e+03 1.70 6.583030521e+03 6.583030521e+03 1.72 5.350372160e+03 5.350372160e+03 1.74 4.349155484e+03 4.349155484e+03 1.76 3.535564259e+03 3.535564259e+03 1.78 2.874268260e+03 2.874268260e+03 1.80 2.336626106e+03 2.336626106e+03 1.82 1.899387275e+03 1.899387275e+03 1.84 1.543765309e+03 1.543765309e+03 1.86 1.254510521e+03 1.254510521e+03 1.88 1.019233039e+03 1.019233039e+03 1.90 8.278101367e+02 8.278101367e+02 1.92 6.720515398e+02 6.720515398e+02 1.94 5.453349076e+02 5.453349076e+02 1.96 4.422677357e+02 4.422677357e+02 1.98 3.584570437e+02 3.584570437e+02 2.00 2.903210015e+02 2.903210015e+02 2.02 2.349232641e+02 2.349232641e+02 2.04 1.898953614e+02 1.898953614e+02 2.06 1.533119881e+02 1.533119881e+02 2.08 1.236023516e+02 1.236023516e+02 2.10 9.947884045e+01 9.947884045e+01 2.12 7.989817795e+01 7.989817795e+01 2.14 6.401263812e+01 6.401263812e+01 2.16 5.112940654e+01 5.112940654e+01 2.18 4.068607166e+01 4.068607166e+01 2.20 3.222331258e+01 3.222331258e+01 2.22 2.536746064e+01 2.536746064e+01 2.24 1.981565696e+01 1.981565696e+01 2.26 1.531998723e+01 1.531998723e+01 2.28 1.167979714e+01 1.167979714e+01 2.30 8.732956346e+00 8.732956346e+00 2.32 6.347606411e+00 6.347606411e+00 2.34 4.416628552e+00 4.416628552e+00 2.36 2.853109604e+00 2.853109604e+00 2.38 1.586614575e+00 1.586614575e+00 2.40 5.601335894e-01 5.601335894e-01 2.42 -2.724157836e-01 -2.724157836e-01 2.44 -9.482329818e-01 -9.482329818e-01 2.46 -1.497340841e+00 -1.497340841e+00 2.48 -1.943879842e+00 -1.943879842e+00 2.50 -2.307218371e+00 -2.307218371e+00 2.52 -2.602919360e+00 -2.602919360e+00 2.54 -2.843474383e+00 -2.843474383e+00 2.56 -3.038900758e+00 -3.038900758e+00 2.58 -3.197226721e+00 -3.197226721e+00 2.60 -3.324884981e+00 -3.324884981e+00 2.62 -3.427031381e+00 -3.427031381e+00 2.64 -3.507802406e+00 -3.507802406e+00 2.66 -3.570522809e+00 -3.570522809e+00 2.68 -3.617872634e+00 -3.617872634e+00 2.70 -3.652012161e+00 -3.652012161e+00 2.72 -3.674696091e+00 -3.674696091e+00 2.74 -3.687370330e+00 -3.687370330e+00 2.76 -3.691231761e+00 -3.691231761e+00 2.78 -3.687281504e+00 -3.687281504e+00 2.80 -3.676366929e+00 -3.676366929e+00 2.82 -3.659186354e+00 -3.659186354e+00 2.84 -3.636317080e+00 -3.636317080e+00 2.86 -3.608290727e+00 -3.608290727e+00 2.88 -3.575595795e+00 -3.575595795e+00 2.90 -3.538674116e+00 -3.538674116e+00 2.92 -3.497929946e+00 -3.497929946e+00 2.94 -3.453736867e+00 -3.453736867e+00 2.96 -3.406376515e+00 -3.406376515e+00 2.98 -3.356081151e+00 -3.356081151e+00 3.00 -3.303150630e+00 -3.303150630e+00 3.02 -3.247870327e+00 -3.247870327e+00 3.04 -3.190510828e+00 -3.190510828e+00 3.06 -3.131329049e+00 -3.131329049e+00 3.08 -3.070569043e+00 -3.070569043e+00 3.10 -3.008462579e+00 -3.008462579e+00 3.12 -2.945229570e+00 -2.945229570e+00 3.14 -2.881078388e+00 -2.881078388e+00 3.16 -2.816206115e+00 -2.816206115e+00 3.18 -2.750798757e+00 -2.750798757e+00 3.20 -2.685031440e+00 -2.685031440e+00 3.22 -2.619068606e+00 -2.619068606e+00 3.24 -2.553064218e+00 -2.553064218e+00 3.26 -2.487161982e+00 -2.487161982e+00 3.28 -2.421495585e+00 -2.421495585e+00 3.30 -2.356170527e+00 -2.356170527e+00 3.32 -2.291273287e+00 -2.291273287e+00 3.34 -2.226909601e+00 -2.226909601e+00 3.36 -2.163176746e+00 -2.163176746e+00 3.38 -2.100163551e+00 -2.100163551e+00 3.40 -2.037950726e+00 -2.037950726e+00 3.42 -1.976611213e+00 -1.976611213e+00 3.44 -1.916210539e+00 -1.916210539e+00 3.46 -1.856790358e+00 -1.856790358e+00 3.48 -1.798317436e+00 -1.798317436e+00 3.50 -1.740822864e+00 -1.740822864e+00 3.52 -1.684346919e+00 -1.684346919e+00 3.54 -1.628924562e+00 -1.628924562e+00 3.56 -1.574585756e+00 -1.574585756e+00 3.58 -1.521355777e+00 -1.521355777e+00 3.60 -1.469255514e+00 -1.469255514e+00 3.62 -1.418301765e+00 -1.418301765e+00 3.64 -1.368507516e+00 -1.368507516e+00 3.66 -1.319882218e+00 -1.319882218e+00 3.68 -1.272432047e+00 -1.272432047e+00 3.70 -1.226160154e+00 -1.226160154e+00 3.72 -1.181066909e+00 -1.181066909e+00 3.74 -1.137150124e+00 -1.137150124e+00 3.76 -1.094405274e+00 -1.094405274e+00 3.78 -1.052825705e+00 -1.052825705e+00 3.80 -1.012402823e+00 -1.012402823e+00 3.82 -9.731262846e-01 -9.731262846e-01 3.84 -9.349841656e-01 -9.349841656e-01 3.86 -8.979631276e-01 -8.979631276e-01 3.88 -8.620485699e-01 -8.620485699e-01 3.90 -8.272247725e-01 -8.272247725e-01 3.92 -7.934750310e-01 -7.934750310e-01 3.94 -7.607817812e-01 -7.607817812e-01 3.96 -7.291267154e-01 -7.291267154e-01 3.98 -6.984908909e-01 -6.984908909e-01 4.00 -6.688548298e-01 -6.688548298e-01 4.02 -6.401986125e-01 -6.401986125e-01 4.04 -6.125019627e-01 -6.125019627e-01 4.06 -5.857443264e-01 -5.857443264e-01 4.08 -5.599049451e-01 -5.599049451e-01 4.10 -5.349629214e-01 -5.349629214e-01 4.12 -5.108972807e-01 -5.108972807e-01 4.14 -4.876870263e-01 -4.876870263e-01 4.16 -4.653111901e-01 -4.653111901e-01 4.18 -4.437488784e-01 -4.437488784e-01 4.20 -4.229793134e-01 -4.229793134e-01 4.22 -4.029818706e-01 -4.029818706e-01 4.24 -3.837361122e-01 -3.837361122e-01 4.26 -3.652218173e-01 -3.652218173e-01 4.28 -3.474190082e-01 -3.474190082e-01 4.30 -3.303079745e-01 -3.303079745e-01 4.32 -3.138692932e-01 -3.138692932e-01 4.34 -2.980838472e-01 -2.980838472e-01 4.36 -2.829328409e-01 -2.829328409e-01 4.38 -2.683978133e-01 -2.683978133e-01 4.40 -2.544606497e-01 -2.544606497e-01 4.42 -2.411035907e-01 -2.411035907e-01 4.44 -2.283092401e-01 -2.283092401e-01 4.46 -2.160605706e-01 -2.160605706e-01 4.48 -2.043409289e-01 -2.043409289e-01 4.50 -1.931340384e-01 -1.931340384e-01 4.52 -1.824240014e-01 -1.824240014e-01 4.54 -1.721953001e-01 -1.721953001e-01 4.56 -1.624327962e-01 -1.624327962e-01 4.58 -1.531217300e-01 -1.531217300e-01 4.60 -1.442477189e-01 -1.442477189e-01 4.62 -1.357967540e-01 -1.357967540e-01 4.64 -1.277551979e-01 -1.277551979e-01 4.66 -1.201010542e-01 -1.201010542e-01 4.68 -1.128094318e-01 -1.128094318e-01 4.70 -1.058684823e-01 -1.058684823e-01 4.72 -9.926678226e-02 -9.926678226e-02 4.74 -9.299323123e-02 -9.299323123e-02 4.76 -8.703704608e-02 -8.703704608e-02 4.78 -8.138775543e-02 -8.138775543e-02 4.80 -7.603519375e-02 -7.603519375e-02 4.82 -7.096949533e-02 -7.096949533e-02 4.84 -6.618108820e-02 -6.618108820e-02 4.86 -6.166068779e-02 -6.166068779e-02 4.88 -5.739859785e-02 -5.739859785e-02 4.90 -5.336254645e-02 -5.336254645e-02 4.92 -4.952807597e-02 -4.952807597e-02 4.94 -4.588824718e-02 -4.588824718e-02 4.96 -4.243660992e-02 -4.243660992e-02 4.98 -3.916691311e-02 -3.916691311e-02 5.00 -3.607309835e-02 -3.607309835e-02 5.02 -3.314929528e-02 -3.314929528e-02 5.04 -3.038981715e-02 -3.038981715e-02 5.06 -2.778914952e-02 -2.778914952e-02 5.08 -2.534166339e-02 -2.534166339e-02 5.10 -2.304219183e-02 -2.304219183e-02 5.12 -2.088590671e-02 -2.088590671e-02 5.14 -1.886799076e-02 -1.886799076e-02 5.16 -1.698369973e-02 -1.698369973e-02 5.18 -1.522865780e-02 -1.522865780e-02 5.20 -1.359858897e-02 -1.359858897e-02 5.22 -1.208931584e-02 -1.208931584e-02 5.24 -1.069676548e-02 -1.069676548e-02 5.26 -9.416973648e-03 -9.416973648e-03 5.28 -8.246087642e-03 -8.246087642e-03 5.30 -7.180368031e-03 -7.180368031e-03 5.32 -6.216189376e-03 -6.216189376e-03 5.34 -5.350040142e-03 -5.350040142e-03 5.36 -4.578521775e-03 -4.578521775e-03 5.38 -3.886088150e-03 -3.886088150e-03 5.40 -3.257905012e-03 -3.257905012e-03 5.42 -2.691782648e-03 -2.691782648e-03 5.44 -2.185603574e-03 -2.185603574e-03 5.46 -1.737321025e-03 -1.737321025e-03 5.48 -1.344957180e-03 -1.344957180e-03 5.50 -1.006601325e-03 -1.006601325e-03 5.52 -7.204079519e-04 -7.204079519e-04 5.54 -4.845948360e-04 -4.845948360e-04 5.56 -2.974410877e-04 -2.974410877e-04 5.58 -1.572852077e-04 -1.572852077e-04 5.60 -6.252314865e-05 -6.252314865e-05 5.62 -1.160639579e-05 -1.160639579e-05 5.64 2.199095067e-11 2.199095067e-11 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00