# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-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 nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan -3.650054906e+02 -3.650054906e+02 nan nan 0.84 nan nan nan nan -3.362707924e+02 -3.362707924e+02 nan nan 0.86 nan nan nan nan -3.096946528e+02 -3.096946528e+02 nan nan 0.88 nan nan nan nan -2.851750862e+02 -2.851750862e+02 nan nan 0.90 nan nan nan nan -2.637012719e+02 -2.637012719e+02 nan nan 0.92 -4.027732009e+02 -4.027732009e+02 nan nan -2.443923482e+02 -2.443923482e+02 nan nan 0.94 -3.751972865e+02 -3.751972865e+02 nan nan -2.248904456e+02 -2.248904456e+02 nan nan 0.96 -3.486093092e+02 -3.486093092e+02 nan nan -2.051524845e+02 -2.051524845e+02 nan nan 0.98 -3.250234013e+02 -3.250234013e+02 nan nan -1.863350968e+02 -1.863350968e+02 nan nan 1.00 -3.045854633e+02 -3.045854633e+02 nan nan -1.688659368e+02 -1.688659368e+02 nan nan 1.02 -2.859410367e+02 -2.859410367e+02 nan nan -1.529532504e+02 -1.529532504e+02 nan nan 1.04 -2.688187324e+02 -2.688187324e+02 -3.583762045e+02 -3.583762045e+02 -1.380953514e+02 -1.380953514e+02 -3.782516157e+02 -3.782516157e+02 1.06 -2.532780713e+02 -2.532780713e+02 -3.382197943e+02 -3.382197943e+02 -1.244804837e+02 -1.244804837e+02 -3.567256393e+02 -3.567256393e+02 1.08 -2.380655650e+02 -2.380655650e+02 -3.193406744e+02 -3.193406744e+02 -1.122078192e+02 -1.122078192e+02 -3.359419830e+02 -3.359419830e+02 1.10 -2.227031653e+02 -2.227031653e+02 -3.015222277e+02 -3.015222277e+02 -1.010718518e+02 -1.010718518e+02 -3.156680753e+02 -3.156680753e+02 1.12 -2.081849659e+02 -2.081849659e+02 -2.839817256e+02 -2.839817256e+02 -9.082207517e+01 -9.082207517e+01 -2.963673396e+02 -2.963673396e+02 1.14 -1.951616241e+02 -1.951616241e+02 -2.665221485e+02 -2.665221485e+02 -8.142207505e+01 -8.142207505e+01 -2.786176021e+02 -2.786176021e+02 1.16 -1.836292608e+02 -1.836292608e+02 -2.498235359e+02 -2.498235359e+02 -7.364170481e+01 -7.364170481e+01 -2.628795063e+02 -2.628795063e+02 1.18 -1.729249624e+02 -1.729249624e+02 -2.341677366e+02 -2.341677366e+02 -6.763648122e+01 -6.763648122e+01 -2.486965389e+02 -2.486965389e+02 1.20 -1.622736353e+02 -1.622736353e+02 -2.205169659e+02 -2.205169659e+02 -6.322687962e+01 -6.322687962e+01 -2.357035865e+02 -2.357035865e+02 1.22 -1.515921579e+02 -1.515921579e+02 -2.090470008e+02 -2.090470008e+02 -6.014783916e+01 -6.014783916e+01 -2.236494375e+02 -2.236494375e+02 1.24 -1.412111601e+02 -1.412111601e+02 -1.987919176e+02 -1.987919176e+02 -5.769853937e+01 -5.769853937e+01 -2.123912076e+02 -2.123912076e+02 1.26 -1.311120930e+02 -1.311120930e+02 -1.888180169e+02 -1.888180169e+02 -5.492671383e+01 -5.492671383e+01 -2.019223968e+02 -2.019223968e+02 1.28 -1.212148527e+02 -1.212148527e+02 -1.796940073e+02 -1.796940073e+02 -5.173479865e+01 -5.173479865e+01 -1.918935549e+02 -1.918935549e+02 1.30 -1.111488150e+02 -1.111488150e+02 -1.708168002e+02 -1.708168002e+02 -4.827068132e+01 -4.827068132e+01 -1.819631978e+02 -1.819631978e+02 1.32 -1.010095453e+02 -1.010095453e+02 -1.620770075e+02 -1.620770075e+02 -4.475049680e+01 -4.475049680e+01 -1.721870802e+02 -1.721870802e+02 1.34 -9.066661122e+01 -9.066661122e+01 -1.531884545e+02 -1.531884545e+02 -4.113648428e+01 -4.113648428e+01 -1.627039803e+02 -1.627039803e+02 1.36 -8.082304714e+01 -8.082304714e+01 -1.446037880e+02 -1.446037880e+02 -3.749722876e+01 -3.749722876e+01 -1.535466730e+02 -1.535466730e+02 1.38 -7.187289874e+01 -7.187289874e+01 -1.364518324e+02 -1.364518324e+02 -3.376679952e+01 -3.376679952e+01 -1.447356705e+02 -1.447356705e+02 1.40 -6.417188539e+01 -6.417188539e+01 -1.291679110e+02 -1.291679110e+02 -3.039522970e+01 -3.039522970e+01 -1.364786575e+02 -1.364786575e+02 1.42 -5.788515002e+01 -5.788515002e+01 -1.221494130e+02 -1.221494130e+02 -2.715400235e+01 -2.715400235e+01 -1.289342566e+02 -1.289342566e+02 1.44 -5.254357847e+01 -5.254357847e+01 -1.150277210e+02 -1.150277210e+02 -2.402718523e+01 -2.402718523e+01 -1.219896516e+02 -1.219896516e+02 1.46 -4.781095182e+01 -4.781095182e+01 -1.079677990e+02 -1.079677990e+02 -2.092537889e+01 -2.092537889e+01 -1.152344441e+02 -1.152344441e+02 1.48 -4.318575304e+01 -4.318575304e+01 -1.006796209e+02 -1.006796209e+02 -1.761389852e+01 -1.761389852e+01 -1.083725561e+02 -1.083725561e+02 1.50 -3.870355702e+01 -3.870355702e+01 -9.345278380e+01 -9.345278380e+01 -1.407883600e+01 -1.407883600e+01 -1.014406074e+02 -1.014406074e+02 1.52 -3.448821243e+01 -3.448821243e+01 -8.643659412e+01 -8.643659412e+01 -1.065523538e+01 -1.065523538e+01 -9.448784582e+01 -9.448784582e+01 1.54 -3.064299943e+01 -3.064299943e+01 -7.962874859e+01 -7.962874859e+01 -7.771186325e+00 -7.771186325e+00 -8.744500190e+01 -8.744500190e+01 1.56 -2.720725061e+01 -2.720725061e+01 -7.284498950e+01 -7.284498950e+01 -5.625750522e+00 -5.625750522e+00 -8.037611062e+01 -8.037611062e+01 1.58 -2.415869558e+01 -2.415869558e+01 -6.589329279e+01 -6.589329279e+01 -4.081069358e+00 -4.081069358e+00 -7.332002303e+01 -7.332002303e+01 1.60 -2.143037178e+01 -2.143037178e+01 -5.851695665e+01 -5.851695665e+01 -2.998447187e+00 -2.998447187e+00 -6.636712437e+01 -6.636712437e+01 1.62 -1.926366237e+01 -1.926366237e+01 -5.066720571e+01 -5.066720571e+01 -2.245545434e+00 -2.245545434e+00 -5.959488977e+01 -5.959488977e+01 1.64 -1.714582469e+01 -1.714582469e+01 -4.271814740e+01 -4.271814740e+01 -1.747162684e+00 -1.747162684e+00 -5.279468765e+01 -5.279468765e+01 1.66 -1.510036356e+01 -1.510036356e+01 -3.520702919e+01 -3.520702919e+01 -1.413473734e+00 -1.413473734e+00 -4.613657734e+01 -4.613657734e+01 1.68 -1.324034000e+01 -1.324034000e+01 -2.814777781e+01 -2.814777781e+01 -1.140473763e+00 -1.140473763e+00 -3.963599955e+01 -3.963599955e+01 1.70 -1.142384017e+01 -1.142384017e+01 -2.166458183e+01 -2.166458183e+01 -9.229299787e-01 -9.229299787e-01 -3.347459030e+01 -3.347459030e+01 1.72 -9.708096540e+00 -9.708096540e+00 -1.577811459e+01 -1.577811459e+01 -8.136481113e-01 -8.136481113e-01 -2.763476637e+01 -2.763476637e+01 1.74 -8.154738823e+00 -8.154738823e+00 -1.064857995e+01 -1.064857995e+01 -7.810009787e-01 -7.810009787e-01 -2.218027323e+01 -2.218027323e+01 1.76 -6.779755453e+00 -6.779755453e+00 -6.542956030e+00 -6.542956030e+00 -7.819826543e-01 -7.819826543e-01 -1.703582566e+01 -1.703582566e+01 1.78 -5.625236097e+00 -5.625236097e+00 -3.856024286e+00 -3.856024286e+00 -7.956085947e-01 -7.956085947e-01 -1.219332733e+01 -1.219332733e+01 1.80 -4.650171507e+00 -4.650171507e+00 -2.187745719e+00 -2.187745719e+00 -8.152957461e-01 -8.152957461e-01 -7.827516170e+00 -7.827516170e+00 1.82 -3.846760317e+00 -3.846760317e+00 -1.136641934e+00 -1.136641934e+00 -8.422152323e-01 -8.422152323e-01 -4.543622094e+00 -4.543622094e+00 1.84 -3.123187892e+00 -3.123187892e+00 -4.831093919e-01 -4.831093919e-01 -8.760912152e-01 -8.760912152e-01 -2.387364112e+00 -2.387364112e+00 1.86 -2.529506585e+00 -2.529506585e+00 -1.081440469e-01 -1.081440469e-01 -9.180724931e-01 -9.180724931e-01 -1.030791852e+00 -1.030791852e+00 1.88 -2.091581868e+00 -2.091581868e+00 4.498677663e-02 4.498677663e-02 -9.688745989e-01 -9.688745989e-01 -2.250529473e-01 -2.250529473e-01 1.90 -1.809643948e+00 -1.809643948e+00 3.291522474e-02 3.291522474e-02 -1.028863408e+00 -1.028863408e+00 1.946142367e-01 1.946142367e-01 1.92 -1.648014970e+00 -1.648014970e+00 -8.967154648e-02 -8.967154648e-02 -1.097029313e+00 -1.097029313e+00 3.448833236e-01 3.448833236e-01 1.94 -1.571981091e+00 -1.571981091e+00 -2.822520946e-01 -2.822520946e-01 -1.171887905e+00 -1.171887905e+00 2.993901125e-01 2.993901125e-01 1.96 -1.543892143e+00 -1.543892143e+00 -5.191696726e-01 -5.191696726e-01 -1.252067890e+00 -1.252067890e+00 1.296004949e-01 1.296004949e-01 1.98 -1.534644511e+00 -1.534644511e+00 -7.834869397e-01 -7.834869397e-01 -1.337194348e+00 -1.337194348e+00 -1.101174295e-01 -1.101174295e-01 2.00 -1.546206008e+00 -1.546206009e+00 -1.067754246e+00 -1.067758661e+00 -1.427389586e+00 -1.427389621e+00 -3.891946021e-01 -3.891946021e-01 2.02 -1.610577938e+00 -1.610577938e+00 -1.368496205e+00 -1.368496205e+00 -1.522677254e+00 -1.522677254e+00 -6.863980897e-01 -6.863980897e-01 2.04 -1.735341117e+00 -1.735341117e+00 -1.670484983e+00 -1.670484983e+00 -1.622292666e+00 -1.622292666e+00 -9.877928059e-01 -9.877928059e-01 2.06 -1.895563052e+00 -1.895563052e+00 -1.973803266e+00 -1.973803266e+00 -1.725242085e+00 -1.725242085e+00 -1.289381225e+00 -1.289381225e+00 2.08 -2.067818982e+00 -2.067818982e+00 -2.273217728e+00 -2.273217728e+00 -1.829945636e+00 -1.829945636e+00 -1.585722159e+00 -1.585722159e+00 2.10 -2.235610044e+00 -2.235610044e+00 -2.561585792e+00 -2.561585792e+00 -1.934446058e+00 -1.934446058e+00 -1.869905386e+00 -1.869905386e+00 2.12 -2.393297843e+00 -2.393297843e+00 -2.830353425e+00 -2.830353425e+00 -2.036541827e+00 -2.036541827e+00 -2.136651372e+00 -2.136651372e+00 2.14 -2.539446358e+00 -2.539446358e+00 -3.071067820e+00 -3.071067820e+00 -2.132346699e+00 -2.132346699e+00 -2.382539751e+00 -2.382539751e+00 2.16 -2.676672652e+00 -2.676672652e+00 -3.276107179e+00 -3.276107179e+00 -2.221288170e+00 -2.221288170e+00 -2.606834554e+00 -2.606834554e+00 2.18 -2.803658270e+00 -2.803658270e+00 -3.441703474e+00 -3.441703474e+00 -2.300373362e+00 -2.300373362e+00 -2.808559513e+00 -2.808559513e+00 2.20 -2.918908598e+00 -2.918908598e+00 -3.567384280e+00 -3.567384280e+00 -2.367906232e+00 -2.367906232e+00 -2.992282838e+00 -2.992282838e+00 2.22 -3.020954191e+00 -3.020954191e+00 -3.655473347e+00 -3.655473347e+00 -2.423273109e+00 -2.423273109e+00 -3.154247260e+00 -3.154247260e+00 2.24 -3.109837765e+00 -3.109837765e+00 -3.709821384e+00 -3.709821384e+00 -2.467332305e+00 -2.467332305e+00 -3.297469903e+00 -3.297469903e+00 2.26 -3.185901388e+00 -3.185901388e+00 -3.736407819e+00 -3.736407819e+00 -2.501203027e+00 -2.501203027e+00 -3.424706017e+00 -3.424706017e+00 2.28 -3.250052874e+00 -3.250052874e+00 -3.747992421e+00 -3.747992421e+00 -2.525836756e+00 -2.525836756e+00 -3.536615699e+00 -3.536615699e+00 2.30 -3.303462103e+00 -3.303462103e+00 -3.757381120e+00 -3.757381120e+00 -2.542005520e+00 -2.542005520e+00 -3.636037650e+00 -3.636037650e+00 2.32 -3.347228011e+00 -3.347228011e+00 -3.772046632e+00 -3.772046632e+00 -2.550316143e+00 -2.550316143e+00 -3.719549575e+00 -3.719549575e+00 2.34 -3.382218134e+00 -3.382218134e+00 -3.788856259e+00 -3.788856259e+00 -2.551297888e+00 -2.551297888e+00 -3.788594260e+00 -3.788594260e+00 2.36 -3.409041212e+00 -3.409041212e+00 -3.808684774e+00 -3.808684774e+00 -2.545446563e+00 -2.545446563e+00 -3.844025266e+00 -3.844025266e+00 2.38 -3.428013750e+00 -3.428013750e+00 -3.828780416e+00 -3.828780416e+00 -2.533140362e+00 -2.533140362e+00 -3.887421689e+00 -3.887421689e+00 2.40 -3.439182794e+00 -3.439182794e+00 -3.842485820e+00 -3.842485820e+00 -2.518004811e+00 -2.518004811e+00 -3.920785104e+00 -3.920785104e+00 2.42 -3.442477681e+00 -3.442477681e+00 -3.852346290e+00 -3.852346290e+00 -2.496784507e+00 -2.496784507e+00 -3.944917295e+00 -3.944917295e+00 2.44 -3.438056952e+00 -3.438056952e+00 -3.855709226e+00 -3.855709226e+00 -2.471666246e+00 -2.471666246e+00 -3.961697492e+00 -3.961697492e+00 2.46 -3.424863739e+00 -3.424863739e+00 -3.853640797e+00 -3.853640797e+00 -2.443388626e+00 -2.443388626e+00 -3.971440648e+00 -3.971440648e+00 2.48 -3.405842327e+00 -3.405842327e+00 -3.847081592e+00 -3.847081592e+00 -2.412698783e+00 -2.412698783e+00 -3.974942308e+00 -3.974942308e+00 2.50 -3.381462252e+00 -3.381462252e+00 -3.836766247e+00 -3.836766247e+00 -2.380295806e+00 -2.380295806e+00 -3.973157263e+00 -3.973157263e+00 2.52 -3.352857331e+00 -3.352857331e+00 -3.822640962e+00 -3.822640962e+00 -2.346562300e+00 -2.346562300e+00 -3.966383377e+00 -3.966383377e+00 2.54 -3.320850205e+00 -3.320850205e+00 -3.804684850e+00 -3.804684850e+00 -2.311687206e+00 -2.311687206e+00 -3.954096308e+00 -3.954096308e+00 2.56 -3.286124105e+00 -3.286124105e+00 -3.783077525e+00 -3.783077525e+00 -2.275794091e+00 -2.275794091e+00 -3.936271342e+00 -3.936271342e+00 2.58 -3.249177105e+00 -3.249177105e+00 -3.758099825e+00 -3.758099825e+00 -2.238976392e+00 -2.238976392e+00 -3.913272909e+00 -3.913272909e+00 2.60 -3.210373139e+00 -3.210373139e+00 -3.729800751e+00 -3.729800751e+00 -2.201710808e+00 -2.201710808e+00 -3.884546007e+00 -3.884546007e+00 2.62 -3.169972654e+00 -3.169972654e+00 -3.699364246e+00 -3.699364246e+00 -2.164044661e+00 -2.164044661e+00 -3.851183595e+00 -3.851183595e+00 2.64 -3.128218040e+00 -3.128218040e+00 -3.667217483e+00 -3.667217483e+00 -2.126289874e+00 -2.126289874e+00 -3.814433314e+00 -3.814433314e+00 2.66 -3.085322695e+00 -3.085322695e+00 -3.633970662e+00 -3.633970662e+00 -2.088608071e+00 -2.088608071e+00 -3.774423245e+00 -3.774423245e+00 2.68 -3.041419158e+00 -3.041419158e+00 -3.599937781e+00 -3.599937781e+00 -2.051069056e+00 -2.051069056e+00 -3.731740111e+00 -3.731740111e+00 2.70 -2.998142971e+00 -2.998142971e+00 -3.565217247e+00 -3.565217247e+00 -2.013695946e+00 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-2.076555199e-01 -6.441151186e-01 -6.441151186e-01 3.98 -3.133208778e-01 -3.133208778e-01 -3.580704445e-01 -3.580704445e-01 -2.001428006e-01 -2.001428006e-01 -6.221212571e-01 -6.221212571e-01 4.00 -3.016035195e-01 -3.016035195e-01 -3.249156394e-01 -3.249156394e-01 -1.926392578e-01 -1.926392578e-01 -5.991890426e-01 -5.991890426e-01 4.02 -2.894286104e-01 -2.894286104e-01 -2.922554410e-01 -2.922554410e-01 -1.851447309e-01 -1.851447309e-01 -5.752004809e-01 -5.752004809e-01 4.04 -2.771577307e-01 -2.771577307e-01 -2.602035988e-01 -2.602035988e-01 -1.776591280e-01 -1.776591280e-01 -5.500890964e-01 -5.500890964e-01 4.06 -2.649858947e-01 -2.649858947e-01 -2.297089091e-01 -2.297089091e-01 -1.701823817e-01 -1.701823817e-01 -5.238523800e-01 -5.238523800e-01 4.08 -2.529711818e-01 -2.529711818e-01 -2.022358902e-01 -2.022358902e-01 -1.627143684e-01 -1.627143684e-01 -4.965456892e-01 -4.965456892e-01 4.10 -2.410744006e-01 -2.410744006e-01 -1.788495663e-01 -1.788495663e-01 -1.552548750e-01 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