# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1985--Foiles-S-M--Ni-Cu # implementation = 1985--Foiles-S-M--Ni-Cu--LAMMPS--ipr1 # composition = CuNi # 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 2022-05-24 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan 3.801103505e+02 3.801103505e+02 nan nan 0.72 nan nan nan nan 3.418182896e+02 3.418182896e+02 nan nan 0.74 nan nan nan nan 3.087227724e+02 3.087227724e+02 nan nan 0.76 nan nan nan nan 2.800087787e+02 2.800087787e+02 nan nan 0.78 nan nan nan nan 2.549827231e+02 2.549827231e+02 nan nan 0.80 4.016213139e+02 4.016213139e+02 nan nan 2.330740450e+02 2.330740450e+02 nan nan 0.82 3.728761683e+02 3.728761683e+02 nan nan 2.137865214e+02 2.137865214e+02 nan nan 0.84 3.467816603e+02 3.467816603e+02 nan nan 1.967017725e+02 1.967017725e+02 nan nan 0.86 3.229307833e+02 3.229307833e+02 nan nan 1.814784537e+02 1.814784537e+02 nan nan 0.88 3.010009919e+02 3.010009919e+02 nan nan 1.678354387e+02 1.678354387e+02 nan nan 0.90 2.807273085e+02 2.807273085e+02 nan nan 1.555346313e+02 1.555346313e+02 nan nan 0.92 2.619041091e+02 2.619041091e+02 3.573835792e+02 3.573835792e+02 1.443760902e+02 1.443760902e+02 3.757662253e+02 3.757662253e+02 0.94 2.443558924e+02 2.443558924e+02 3.366252771e+02 3.366252771e+02 1.341948331e+02 1.341948331e+02 3.544426166e+02 3.544426166e+02 0.96 2.279455923e+02 2.279455923e+02 3.169639340e+02 3.169639340e+02 1.248545974e+02 1.248545974e+02 3.342928324e+02 3.342928324e+02 0.98 2.125699319e+02 2.125699319e+02 2.982777136e+02 2.982777136e+02 1.162449772e+02 1.162449772e+02 3.151613947e+02 3.151613947e+02 1.00 1.981386422e+02 1.981386422e+02 2.804722434e+02 2.804722434e+02 1.082702509e+02 1.082702509e+02 2.969399208e+02 2.969399208e+02 1.02 1.845849349e+02 1.845849349e+02 2.634808578e+02 2.634808578e+02 1.008615237e+02 1.008615237e+02 2.795466585e+02 2.795466585e+02 1.04 1.718427655e+02 1.718427655e+02 2.472594965e+02 2.472594965e+02 9.395787415e+01 9.395787415e+01 2.629235777e+02 2.629235777e+02 1.06 1.598583703e+02 1.598583703e+02 2.317712647e+02 2.317712647e+02 8.750843335e+01 8.750843335e+01 2.470234042e+02 2.470234042e+02 1.08 1.485840753e+02 1.485840753e+02 2.169958489e+02 2.169958489e+02 8.147229878e+01 8.147229878e+01 2.318169761e+02 2.318169761e+02 1.10 1.379769174e+02 1.379769174e+02 2.029048859e+02 2.029048859e+02 7.581084659e+01 7.581084659e+01 2.172816696e+02 2.172816696e+02 1.12 1.280051739e+02 1.280051739e+02 1.894819630e+02 1.894819630e+02 7.049318490e+01 7.049318490e+01 2.033996619e+02 2.033996619e+02 1.14 1.186356832e+02 1.186356832e+02 1.767068178e+02 1.767068178e+02 6.549207364e+01 6.549207364e+01 1.901576244e+02 1.901576244e+02 1.16 1.098362508e+02 1.098362508e+02 1.645750994e+02 1.645750994e+02 6.079331130e+01 6.079331130e+01 1.775431844e+02 1.775431844e+02 1.18 1.015785379e+02 1.015785379e+02 1.530689141e+02 1.530689141e+02 5.637826298e+01 5.637826298e+01 1.655462315e+02 1.655462315e+02 1.20 9.383952612e+01 9.383952612e+01 1.421790391e+02 1.421790391e+02 5.223292928e+01 5.223292928e+01 1.541547493e+02 1.541547493e+02 1.22 8.658968312e+01 8.658968312e+01 1.318847770e+02 1.318847770e+02 4.833912308e+01 4.833912308e+01 1.433552068e+02 1.433552068e+02 1.24 7.981009500e+01 7.981009500e+01 1.221763679e+02 1.221763679e+02 4.468721126e+01 4.468721126e+01 1.331372094e+02 1.331372094e+02 1.26 7.347668333e+01 7.347668333e+01 1.130338977e+02 1.130338977e+02 4.126428020e+01 4.126428020e+01 1.234845052e+02 1.234845052e+02 1.28 6.756631673e+01 6.756631673e+01 1.044357703e+02 1.044357703e+02 3.805822676e+01 3.805822676e+01 1.143831395e+02 1.143831395e+02 1.30 6.204915007e+01 6.204915007e+01 9.636469046e+01 9.636469046e+01 3.505814607e+01 3.505814607e+01 1.058122796e+02 1.058122796e+02 1.32 5.691023736e+01 5.691023736e+01 8.879715106e+01 8.879715106e+01 3.225166736e+01 3.225166736e+01 9.775527496e+01 9.775527496e+01 1.34 5.212523697e+01 5.212523697e+01 8.171253929e+01 8.171253929e+01 2.962758474e+01 2.962758474e+01 9.018997917e+01 9.018997917e+01 1.36 4.767683761e+01 4.767683761e+01 7.509281903e+01 7.509281903e+01 2.717938388e+01 2.717938388e+01 8.309718727e+01 8.309718727e+01 1.38 4.354615128e+01 4.354615128e+01 6.891483065e+01 6.891483065e+01 2.489653890e+01 2.489653890e+01 7.645805309e+01 7.645805309e+01 1.40 3.971264064e+01 3.971264064e+01 6.315451987e+01 6.315451987e+01 2.277140151e+01 2.277140151e+01 7.025345910e+01 7.025345910e+01 1.42 3.616077289e+01 3.616077289e+01 5.778920064e+01 5.778920064e+01 2.079333787e+01 2.079333787e+01 6.446194363e+01 6.446194363e+01 1.44 3.287299601e+01 3.287299601e+01 5.279997920e+01 5.279997920e+01 1.895505056e+01 1.895505056e+01 5.906341025e+01 5.906341025e+01 1.46 2.983123382e+01 2.983123382e+01 4.816421763e+01 4.816421763e+01 1.723973560e+01 1.723973560e+01 5.403733084e+01 5.403733084e+01 1.48 2.702060131e+01 2.702060131e+01 4.386235722e+01 4.386235722e+01 1.562271502e+01 1.562271502e+01 4.936348630e+01 4.936348630e+01 1.50 2.442563017e+01 2.442563017e+01 3.987711341e+01 3.987711341e+01 1.413429724e+01 1.413429724e+01 4.502126532e+01 4.502126532e+01 1.52 2.203108404e+01 2.203108404e+01 3.618959404e+01 3.618959404e+01 1.274666653e+01 1.274666653e+01 4.099324087e+01 4.099324087e+01 1.54 1.982228497e+01 1.982228497e+01 3.278051372e+01 3.278051372e+01 1.145677731e+01 1.145677731e+01 3.726086176e+01 3.726086176e+01 1.56 1.778975601e+01 1.778975601e+01 2.963253984e+01 2.963253984e+01 1.026048323e+01 1.026048323e+01 3.380442310e+01 3.380442310e+01 1.58 1.591989226e+01 1.591989226e+01 2.672843473e+01 2.672843473e+01 9.151111944e+00 9.151111944e+00 3.060722150e+01 3.060722150e+01 1.60 1.420198716e+01 1.420198716e+01 2.405177918e+01 2.405177918e+01 8.123032094e+00 8.123032094e+00 2.765348209e+01 2.765348209e+01 1.62 1.262314469e+01 1.262314469e+01 2.158449647e+01 2.158449647e+01 7.152781783e+00 7.152781783e+00 2.492513864e+01 2.492513864e+01 1.64 1.114350461e+01 1.114350461e+01 1.931473075e+01 1.931473075e+01 6.274889427e+00 6.274889427e+00 2.240960220e+01 2.240960220e+01 1.66 9.810372880e+00 9.810372880e+00 1.722692001e+01 1.722692001e+01 5.464728624e+00 5.464728624e+00 2.009119067e+01 2.009119067e+01 1.68 8.580372435e+00 8.580372435e+00 1.530832867e+01 1.530832867e+01 4.718082390e+00 4.718082390e+00 1.795680723e+01 1.795680723e+01 1.70 7.448302948e+00 7.448302948e+00 1.354790819e+01 1.354790819e+01 4.031098159e+00 4.031098159e+00 1.599426197e+01 1.599426197e+01 1.72 6.406698541e+00 6.406698541e+00 1.193185318e+01 1.193185318e+01 3.397984800e+00 3.397984800e+00 1.419111794e+01 1.419111794e+01 1.74 5.453335419e+00 5.453335419e+00 1.045228646e+01 1.045228646e+01 2.818297199e+00 2.818297199e+00 1.253628613e+01 1.253628613e+01 1.76 4.579618988e+00 4.579618988e+00 9.098229014e+00 9.098229014e+00 2.286466929e+00 2.286466929e+00 1.101889548e+01 1.101889548e+01 1.78 3.779597853e+00 3.779597853e+00 7.860279274e+00 7.860279274e+00 1.799147194e+00 1.799147194e+00 9.627756262e+00 9.627756262e+00 1.80 3.028191663e+00 3.028191663e+00 6.695614919e+00 6.695614919e+00 1.353841236e+00 1.353841236e+00 8.353195745e+00 8.353195745e+00 1.82 2.360913097e+00 2.360913097e+00 5.656006060e+00 5.656006060e+00 9.474459542e-01 9.474459542e-01 7.186988286e+00 7.186988286e+00 1.84 1.752859046e+00 1.752859046e+00 4.702731902e+00 4.702731902e+00 5.770549830e-01 5.770549830e-01 6.087340083e+00 6.087340083e+00 1.86 1.199643824e+00 1.199643824e+00 3.829626516e+00 3.829626516e+00 2.399512709e-01 2.399512709e-01 5.106235269e+00 5.106235269e+00 1.88 6.971556438e-01 6.971556438e-01 3.028435220e+00 3.028435220e+00 -6.640108825e-02 -6.640108825e-02 4.206199585e+00 4.206199585e+00 1.90 2.415465766e-01 2.415465766e-01 2.299258064e+00 2.299258064e+00 -3.443654670e-01 -3.443654670e-01 3.381106557e+00 3.381106557e+00 1.92 -1.707784911e-01 -1.707784911e-01 1.612886745e+00 1.612886745e+00 -5.966798223e-01 -5.966798223e-01 2.625469453e+00 2.625469453e+00 1.94 -5.431797598e-01 -5.431797598e-01 1.004658189e+00 1.004658189e+00 -8.255632811e-01 -8.255632811e-01 1.915815894e+00 1.915815894e+00 1.96 -8.777236599e-01 -8.777236599e-01 4.518291032e-01 4.518291032e-01 -1.036152890e+00 -1.036152890e+00 1.287477325e+00 1.287477325e+00 1.98 -1.180900268e+00 -1.180900268e+00 -5.104064936e-02 -5.104064936e-02 -1.230823068e+00 -1.230823068e+00 7.150845692e-01 7.150845692e-01 2.00 -1.452749248e+00 -1.452749248e+00 -5.070038080e-01 -5.070038080e-01 -1.410006043e+00 -1.410006043e+00 1.944033843e-01 1.944033843e-01 2.02 -1.696011758e+00 -1.696011758e+00 -9.189725802e-01 -9.189725802e-01 -1.574143103e+00 -1.574143103e+00 -2.786380958e-01 -2.786380958e-01 2.04 -1.913586050e+00 -1.913586050e+00 -1.290340231e+00 -1.290340231e+00 -1.723999045e+00 -1.723999045e+00 -7.072785285e-01 -7.072785285e-01 2.06 -2.106998304e+00 -2.106998304e+00 -1.624262455e+00 -1.624262455e+00 -1.858462794e+00 -1.858462794e+00 -1.094878482e+00 -1.094878482e+00 2.08 -2.278002313e+00 -2.278002313e+00 -1.923712015e+00 -1.923712015e+00 -1.980121993e+00 -1.980121993e+00 -1.445032676e+00 -1.445032676e+00 2.10 -2.428475137e+00 -2.428475137e+00 -2.191940418e+00 -2.191940418e+00 -2.089299925e+00 -2.089299925e+00 -1.760910112e+00 -1.760910112e+00 2.12 -2.560152543e+00 -2.560152543e+00 -2.430847359e+00 -2.430847359e+00 -2.187261599e+00 -2.187261599e+00 -2.044474025e+00 -2.044474025e+00 2.14 -2.675819842e+00 -2.675819842e+00 -2.642051863e+00 -2.642051863e+00 -2.274629622e+00 -2.274629622e+00 -2.298291406e+00 -2.298291406e+00 2.16 -2.781104731e+00 -2.781104731e+00 -2.828456742e+00 -2.828456742e+00 -2.352173795e+00 -2.352173795e+00 -2.525157558e+00 -2.525157558e+00 2.18 -2.876110606e+00 -2.876110606e+00 -2.992215884e+00 -2.992215884e+00 -2.420303433e+00 -2.420303433e+00 -2.726834160e+00 -2.726834160e+00 2.20 -2.960861184e+00 -2.960861184e+00 -3.135129072e+00 -3.135129072e+00 -2.479513790e+00 -2.479513790e+00 -2.904350993e+00 -2.904350993e+00 2.22 -3.036453721e+00 -3.036453721e+00 -3.258927181e+00 -3.258927181e+00 -2.530339218e+00 -2.530339218e+00 -3.060189672e+00 -3.060189672e+00 2.24 -3.103944144e+00 -3.103944144e+00 -3.365213021e+00 -3.365213021e+00 -2.573293559e+00 -2.573293559e+00 -3.196674932e+00 -3.196674932e+00 2.26 -3.162475854e+00 -3.162475854e+00 -3.455470013e+00 -3.455470013e+00 -2.608870268e+00 -2.608870268e+00 -3.315008974e+00 -3.315008974e+00 2.28 -3.212233070e+00 -3.212233070e+00 -3.532351060e+00 -3.532351060e+00 -2.637542587e+00 -2.637542587e+00 -3.416694262e+00 -3.416694262e+00 2.30 -3.252606591e+00 -3.252606591e+00 -3.600036590e+00 -3.600036590e+00 -2.659771515e+00 -2.659771515e+00 -3.504798098e+00 -3.504798098e+00 2.32 -3.284054021e+00 -3.284054021e+00 -3.659073580e+00 -3.659073580e+00 -2.675487978e+00 -2.675487978e+00 -3.583259686e+00 -3.583259686e+00 2.34 -3.308570738e+00 -3.308570738e+00 -3.709850149e+00 -3.709850149e+00 -2.685562571e+00 -2.685562571e+00 -3.652608207e+00 -3.652608207e+00 2.36 -3.326522132e+00 -3.326522132e+00 -3.752737797e+00 -3.752737797e+00 -2.690468927e+00 -2.690468927e+00 -3.713025111e+00 -3.713025111e+00 2.38 -3.338278069e+00 -3.338278069e+00 -3.788094937e+00 -3.788094937e+00 -2.690577724e+00 -2.690577724e+00 -3.764922469e+00 -3.764922469e+00 2.40 -3.344209499e+00 -3.344209499e+00 -3.816281418e+00 -3.816281418e+00 -2.686242106e+00 -2.686242106e+00 -3.808830203e+00 -3.808830203e+00 2.42 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