# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Cu # implementation = 2025--Sharifi-H--Co-Cu--LAMMPS--ipr1 # composition = CoCu # 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 2025-07-01 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 7.719719355e+02 7.719719355e+02 nan nan 0.80 nan nan nan nan 6.981820737e+02 6.981820737e+02 nan nan 0.82 nan nan nan nan 6.327305104e+02 6.327305104e+02 nan nan 0.84 nan nan nan nan 5.745641344e+02 5.745641344e+02 nan nan 0.86 nan nan nan nan 5.227571265e+02 5.227571265e+02 nan nan 0.88 nan nan nan nan 4.765025743e+02 4.765025743e+02 nan nan 0.90 7.308664569e+02 7.308664569e+02 nan nan 4.351014690e+02 4.351014690e+02 nan nan 0.92 6.649907055e+02 6.649907055e+02 nan nan 3.979509490e+02 3.979509490e+02 nan nan 0.94 6.058198365e+02 6.058198365e+02 nan nan 3.644043709e+02 3.644043709e+02 nan nan 0.96 5.520944654e+02 5.520944654e+02 nan nan 3.336816245e+02 3.336816245e+02 nan nan 0.98 5.031390493e+02 5.031390493e+02 8.510800867e+02 8.510800867e+02 3.054092441e+02 3.054092441e+02 nan nan 1.00 4.584173361e+02 4.584173361e+02 7.752736180e+02 7.752736180e+02 2.793132218e+02 2.793132218e+02 8.411212226e+02 8.411212226e+02 1.02 4.174844204e+02 4.174844204e+02 7.048479918e+02 7.048479918e+02 2.551792861e+02 2.551792861e+02 7.734538841e+02 7.734538841e+02 1.04 3.799687644e+02 3.799687644e+02 6.397046382e+02 6.397046382e+02 2.328371489e+02 2.328371489e+02 7.092936865e+02 7.092936865e+02 1.06 3.455571449e+02 3.455571449e+02 5.796710064e+02 5.796710064e+02 2.121486208e+02 2.121486208e+02 6.484713204e+02 6.484713204e+02 1.08 3.139823450e+02 3.139823450e+02 5.245250372e+02 5.245250372e+02 1.929985682e+02 1.929985682e+02 5.912643792e+02 5.912643792e+02 1.10 2.850129939e+02 2.850129939e+02 4.740132208e+02 4.740132208e+02 1.752881507e+02 1.752881507e+02 5.378118072e+02 5.378118072e+02 1.12 2.584453321e+02 2.584453321e+02 4.278639110e+02 4.278639110e+02 1.589298733e+02 1.589298733e+02 4.881471899e+02 4.881471899e+02 1.14 2.340971794e+02 2.340971794e+02 3.857971080e+02 3.857971080e+02 1.438440564e+02 1.438440564e+02 4.422253767e+02 4.422253767e+02 1.16 2.118034480e+02 2.118034480e+02 3.475316067e+02 3.475316067e+02 1.299563853e+02 1.299563853e+02 3.999434959e+02 3.999434959e+02 1.18 1.914127814e+02 1.914127814e+02 3.127901792e+02 3.127901792e+02 1.171962809e+02 1.171962809e+02 3.611575195e+02 3.611575195e+02 1.20 1.727850795e+02 1.727850795e+02 2.813032842e+02 2.813032842e+02 1.054958824e+02 1.054958824e+02 3.256952860e+02 3.256952860e+02 1.22 1.557897113e+02 1.557897113e+02 2.528116667e+02 2.528116667e+02 9.478949592e+01 9.478949592e+01 2.933666896e+02 2.933666896e+02 1.24 1.403042467e+02 1.403042467e+02 2.270681244e+02 2.270681244e+02 8.501366992e+01 8.501366992e+01 2.639715980e+02 2.639715980e+02 1.26 1.262135752e+02 1.262135752e+02 2.038386336e+02 2.038386336e+02 7.610688159e+01 7.610688159e+01 2.373059572e+02 2.373059572e+02 1.28 1.134093009e+02 1.134093009e+02 1.829029882e+02 1.829029882e+02 6.800924705e+01 6.800924705e+01 2.131664528e+02 2.131664528e+02 1.30 1.017893318e+02 1.017893318e+02 1.640550430e+02 1.640550430e+02 6.066255646e+01 6.066255646e+01 1.913540006e+02 1.913540006e+02 1.32 9.125759812e+01 9.125759812e+01 1.471026889e+02 1.471026889e+02 5.401039523e+01 5.401039523e+01 1.716763012e+02 1.716763012e+02 1.34 8.172384425e+01 8.172384425e+01 1.318676783e+02 1.318676783e+02 4.799842939e+01 4.799842939e+01 1.539496787e+02 1.539496787e+02 1.36 7.310354023e+01 7.310354023e+01 1.181852852e+02 1.181852852e+02 4.257465860e+01 4.257465860e+01 1.380002980e+02 1.380002980e+02 1.38 6.531778692e+01 6.531778692e+01 1.059038374e+02 1.059038374e+02 3.768961617e+01 3.768961617e+01 1.236649143e+02 1.236649143e+02 1.40 5.829301113e+01 5.829301113e+01 9.488416285e+01 9.488416285e+01 3.329651750e+01 3.329651750e+01 1.107912564e+02 1.107912564e+02 1.42 5.196081025e+01 5.196081025e+01 8.499897615e+01 8.499897615e+01 2.935135817e+01 2.935135817e+01 9.923812642e+01 9.923812642e+01 1.44 4.625780200e+01 4.625780200e+01 7.613222290e+01 7.613222290e+01 2.581296442e+01 2.581296442e+01 8.887525553e+01 8.887525553e+01 1.46 4.112545480e+01 4.112545480e+01 6.817840339e+01 6.817840339e+01 2.264300200e+01 2.264300200e+01 7.958299856e+01 7.958299856e+01 1.48 3.650986109e+01 3.650986109e+01 6.104188647e+01 6.104188647e+01 1.980594770e+01 1.980594770e+01 7.125193985e+01 7.125193985e+01 1.50 3.236134944e+01 3.236134944e+01 5.463622480e+01 5.463622480e+01 1.726902930e+01 1.726902930e+01 6.378241428e+01 6.378241428e+01 1.52 2.863422386e+01 2.863422386e+01 4.888348215e+01 4.888348215e+01 1.500214037e+01 1.500214037e+01 5.708396929e+01 5.708396929e+01 1.54 2.528660687e+01 2.528660687e+01 4.371357696e+01 4.371357696e+01 1.297773391e+01 1.297773391e+01 5.107478313e+01 5.107478313e+01 1.56 2.228026365e+01 2.228026365e+01 3.906364902e+01 3.906364902e+01 1.117070069e+01 1.117070069e+01 4.568104685e+01 4.568104685e+01 1.58 1.958040904e+01 1.958040904e+01 3.487745376e+01 3.487745376e+01 9.558234895e+00 9.558234895e+00 4.083636463e+01 4.083636463e+01 1.60 1.715550190e+01 1.715550190e+01 3.110478412e+01 3.110478412e+01 8.119674072e+00 8.119674072e+00 3.648117665e+01 3.648117665e+01 1.62 1.497703361e+01 1.497703361e+01 2.770092747e+01 2.770092747e+01 6.836369026e+00 6.836369026e+00 3.256219750e+01 3.256219750e+01 1.64 1.301931433e+01 1.301931433e+01 2.462615590e+01 2.462615590e+01 5.691556309e+00 5.691556309e+00 2.903187506e+01 2.903187506e+01 1.66 1.125926023e+01 1.125926023e+01 2.184524789e+01 2.184524789e+01 4.670209633e+00 4.670209633e+00 2.584787421e+01 2.584787421e+01 1.68 9.676185734e+00 9.676185734e+00 1.932704453e+01 1.932704453e+01 3.758909480e+00 3.758909480e+00 2.297258986e+01 2.297258986e+01 1.70 8.251602203e+00 8.251602203e+00 1.704403837e+01 1.704403837e+01 2.945692711e+00 2.945692711e+00 2.037269025e+01 2.037269025e+01 1.72 6.969024917e+00 6.969024917e+00 1.497199442e+01 1.497199442e+01 2.219925176e+00 2.219925176e+00 1.801869146e+01 1.801869146e+01 1.74 5.813790325e+00 5.813790325e+00 1.308960289e+01 1.308960289e+01 1.572181393e+00 1.572181393e+00 1.588456411e+01 1.588456411e+01 1.76 4.772883465e+00 4.772883465e+00 1.137815993e+01 1.137815993e+01 9.941262802e-01 9.941262802e-01 1.394737061e+01 1.394737061e+01 1.78 3.834776677e+00 3.834776677e+00 9.821245245e+00 9.821245245e+00 4.784064810e-01 4.784064810e-01 1.218693071e+01 1.218693071e+01 1.80 2.989279845e+00 2.989279845e+00 8.404400348e+00 8.404400348e+00 1.854963276e-02 1.854963276e-02 1.058552163e+01 1.058552163e+01 1.82 2.227401601e+00 2.227401601e+00 7.114861210e+00 7.114861210e+00 -3.911280789e-01 -3.911280789e-01 9.127605655e+00 9.127605655e+00 1.84 1.541221879e+00 1.541221879e+00 5.941357978e+00 5.941357978e+00 -7.555924497e-01 -7.555924497e-01 7.799610803e+00 7.799610803e+00 1.86 9.237747279e-01 9.237747279e-01 4.873941491e+00 4.873941491e+00 -1.079174772e+00 -1.079174772e+00 6.589695046e+00 6.589695046e+00 1.88 3.689018696e-01 3.689018696e-01 3.903752882e+00 3.903752882e+00 -1.365686926e+00 -1.365686926e+00 5.487456020e+00 5.487456020e+00 1.90 -1.289661574e-01 -1.289661574e-01 3.022732225e+00 3.022732225e+00 -1.618566823e+00 -1.618566823e+00 4.483586833e+00 4.483586833e+00 1.92 -5.749124276e-01 -5.749124276e-01 2.223483593e+00 2.223483593e+00 -1.840945511e+00 -1.840945511e+00 3.569692020e+00 3.569692020e+00 1.94 -9.735769184e-01 -9.735769184e-01 1.499218650e+00 1.499218650e+00 -2.035674936e+00 -2.035674936e+00 2.738195983e+00 2.738195983e+00 1.96 -1.329195072e+00 -1.329195072e+00 8.437062546e-01 8.437062546e-01 -2.205352616e+00 -2.205352616e+00 1.982259829e+00 1.982259829e+00 1.98 -1.645633050e+00 -1.645633050e+00 2.512262009e-01 2.512262009e-01 -2.352344170e+00 -2.352344170e+00 1.295687365e+00 1.295687365e+00 2.00 -1.926419874e+00 -1.926419874e+00 -2.834730781e-01 -2.834730781e-01 -2.478803836e+00 -2.478803836e+00 6.728344953e-01 6.728344953e-01 2.02 -2.174777862e+00 -2.174777862e+00 -7.652132066e-01 -7.652132066e-01 -2.586693138e+00 -2.586693138e+00 1.085377769e-01 1.085377769e-01 2.04 -2.393654120e+00 -2.393654120e+00 -1.198421399e+00 -1.198421399e+00 -2.677797943e+00 -2.677797943e+00 -4.019492120e-01 -4.019492120e-01 2.06 -2.585714129e+00 -2.585714129e+00 -1.587162948e+00 -1.587162948e+00 -2.753743982e+00 -2.753743982e+00 -8.629929740e-01 -8.629929740e-01 2.08 -2.753416585e+00 -2.753416585e+00 -1.935171000e+00 -1.935171000e+00 -2.816010997e+00 -2.816010997e+00 -1.278610969e+00 -1.278610969e+00 2.10 -2.898996652e+00 -2.898996652e+00 -2.245873893e+00 -2.245873893e+00 -2.865945662e+00 -2.865945662e+00 -1.652499989e+00 -1.652499989e+00 2.12 -3.024493891e+00 -3.024493891e+00 -2.522420156e+00 -2.522420156e+00 -2.904773334e+00 -2.904773334e+00 -1.988062128e+00 -1.988062128e+00 2.14 -3.131769370e+00 -3.131769370e+00 -2.767701459e+00 -2.767701459e+00 -2.933755924e+00 -2.933755924e+00 -2.288428642e+00 -2.288428642e+00 2.16 -3.222521169e+00 -3.222521169e+00 -2.984373674e+00 -2.984373674e+00 -2.955384634e+00 -2.955384634e+00 -2.556481821e+00 -2.556481821e+00 2.18 -3.298298501e+00 -3.298298501e+00 -3.174875952e+00 -3.174875952e+00 -2.967430924e+00 -2.967430924e+00 -2.794875008e+00 -2.794875008e+00 2.20 -3.360514680e+00 -3.360514680e+00 -3.341447079e+00 -3.341447079e+00 -2.971916000e+00 -2.971916000e+00 -3.006051185e+00 -3.006051185e+00 2.22 -3.410462005e+00 -3.410462005e+00 -3.486142891e+00 -3.486142891e+00 -2.969949732e+00 -2.969949732e+00 -3.192259785e+00 -3.192259785e+00 2.24 -3.449316647e+00 -3.449316647e+00 -3.610856335e+00 -3.610856335e+00 -2.962224395e+00 -2.962224395e+00 -3.355572236e+00 -3.355572236e+00 2.26 -3.478140058e+00 -3.478140058e+00 -3.717336046e+00 -3.717336046e+00 -2.949368902e+00 -2.949368902e+00 -3.497896255e+00 -3.497896255e+00 2.28 -3.497917255e+00 -3.497917255e+00 -3.807188070e+00 -3.807188070e+00 -2.931954429e+00 -2.931954429e+00 -3.620989036e+00 -3.620989036e+00 2.30 -3.509539669e+00 -3.509539669e+00 -3.881885936e+00 -3.881885936e+00 -2.910499543e+00 -2.910499543e+00 -3.726470182e+00 -3.726470182e+00 2.32 -3.513819212e+00 -3.513819212e+00 -3.942780629e+00 -3.942780629e+00 -2.885474408e+00 -2.885474408e+00 -3.815827798e+00 -3.815827798e+00 2.34 -3.511449068e+00 -3.511449068e+00 -3.991049197e+00 -3.991049197e+00 -2.857274354e+00 -2.857274354e+00 -3.890372454e+00 -3.890372454e+00 2.36 -3.502993779e+00 -3.502993779e+00 -4.027682367e+00 -4.027682367e+00 -2.826212980e+00 -2.826212980e+00 -3.951223074e+00 -3.951223074e+00 2.38 -3.488974545e+00 -3.488974545e+00 -4.053599076e+00 -4.053599076e+00 -2.792578762e+00 -2.792578762e+00 -3.999420786e+00 -3.999420786e+00 2.40 -3.469879051e+00 -3.469879051e+00 -4.069660336e+00 -4.069660336e+00 -2.756641354e+00 -2.756641354e+00 -4.035943483e+00 -4.035943483e+00 2.42 -3.446163403e+00 -3.446163403e+00 -4.076672540e+00 -4.076672540e+00 -2.718652658e+00 -2.718652658e+00 -4.061709267e+00 -4.061709267e+00 2.44 -3.418253958e+00 -3.418253958e+00 -4.075390588e+00 -4.075390588e+00 -2.678847820e+00 -2.678847820e+00 -4.077579135e+00 -4.077579135e+00 2.46 -3.386549049e+00 -3.386549049e+00 -4.066520848e+00 -4.066520848e+00 -2.637446188e+00 -2.637446188e+00 -4.084360315e+00 -4.084360315e+00 2.48 -3.351420622e+00 -3.351420622e+00 -4.050723951e+00 -4.050723951e+00 -2.594652209e+00 -2.594652209e+00 -4.082810268e+00 -4.082810268e+00 2.50 -3.313215771e+00 -3.313215771e+00 -4.028617442e+00 -4.028617442e+00 -2.550656282e+00 -2.550656282e+00 -4.073643539e+00 -4.073643539e+00 2.52 -3.272258200e+00 -3.272258200e+00 -4.000778281e+00 -4.000778281e+00 -2.505635569e+00 -2.505635569e+00 -4.057531871e+00 -4.057531871e+00 2.54 -3.228849597e+00 -3.228849597e+00 -3.967745209e+00 -3.967745209e+00 -2.459754755e+00 -2.459754755e+00 -4.035103474e+00 -4.035103474e+00 2.56 -3.183270931e+00 -3.183270931e+00 -3.930020990e+00 -3.930020990e+00 -2.413166810e+00 -2.413166810e+00 -4.006945518e+00 -4.006945518e+00 2.58 -3.135783684e+00 -3.135783684e+00 -3.888171675e+00 -3.888171675e+00 -2.371219955e+00 -2.371219955e+00 -3.973606533e+00 -3.973606533e+00 2.60 -3.086631007e+00 -3.086631007e+00 -3.843447773e+00 -3.843447773e+00 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