# 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--ipr2 # composition = Fe # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan -1.236916193e+03 nan 0.76 nan nan nan nan nan nan nan nan -1.139478544e+03 nan 0.78 nan nan nan nan nan nan nan nan -1.050769060e+03 nan 0.80 nan nan nan nan nan -8.334013319e+02 nan nan -9.709904098e+02 nan 0.82 nan nan nan nan nan -7.701854136e+02 nan nan -9.009027387e+02 nan 0.84 nan nan nan nan nan -7.134420886e+02 nan nan -8.376181385e+02 nan 0.86 nan nan nan nan nan -6.612399079e+02 nan nan -7.780100304e+02 nan 0.88 nan nan nan nan nan -6.122194505e+02 nan nan -7.219651027e+02 nan 0.90 nan -9.087765501e+02 nan -1.306092688e+03 -1.307932627e+03 -5.649008380e+02 nan nan -6.696444184e+02 -9.141546402e+02 0.92 nan -8.478063272e+02 nan -1.220182089e+03 -1.222070467e+03 -5.199845978e+02 -8.639183135e+02 nan -6.206979973e+02 -8.541973491e+02 0.94 nan -7.921589761e+02 nan -1.140136702e+03 -1.141085586e+03 -4.804519946e+02 -8.090287827e+02 nan -5.757302998e+02 -7.993899623e+02 0.96 nan -7.412320023e+02 nan -1.065713945e+03 -1.064985102e+03 -4.461225933e+02 -7.579532201e+02 nan -5.355842727e+02 -7.488434226e+02 0.98 nan -6.949449725e+02 nan -9.981004196e+02 -9.959934566e+02 -4.147548515e+02 -7.110239097e+02 nan -4.999147032e+02 -7.000128829e+02 1.00 nan -6.524699302e+02 nan -9.372824580e+02 -9.349831057e+02 -3.850606880e+02 -6.676060390e+02 nan -4.674353236e+02 -6.524385492e+02 1.02 -8.846984709e+02 -6.128417559e+02 -8.070749176e+02 -8.817267521e+02 -8.800748948e+02 -3.568127033e+02 -6.261948533e+02 -8.301215058e+02 -4.372783267e+02 -6.082500777e+02 1.04 -8.299251028e+02 -5.756829495e+02 -7.587290942e+02 -8.302359512e+02 -8.294267778e+02 -3.302792688e+02 -5.864361564e+02 -7.796093295e+02 -4.090002048e+02 -5.678441185e+02 1.06 -7.800885194e+02 -5.407152137e+02 -7.152470866e+02 -7.827463982e+02 -7.828053013e+02 -3.057287839e+02 -5.483427100e+02 -7.338545987e+02 -3.821070511e+02 -5.308716812e+02 1.08 -7.355442045e+02 -5.078171323e+02 -6.752459560e+02 -7.387557173e+02 -7.394589716e+02 -2.831361999e+02 -5.119632952e+02 -6.926210384e+02 -3.564666223e+02 -4.984405929e+02 1.10 -6.952720377e+02 -4.773623366e+02 -6.379759269e+02 -6.971345238e+02 -6.980380709e+02 -2.625519901e+02 -4.782005998e+02 -6.547545438e+02 -3.322065209e+02 -4.704930363e+02 1.12 -6.580477262e+02 -4.495900805e+02 -6.034864179e+02 -6.576201645e+02 -6.584070808e+02 -2.441821328e+02 -4.483439497e+02 -6.188842117e+02 -3.094206844e+02 -4.450819117e+02 1.14 -6.228018387e+02 -4.239346704e+02 -5.713952671e+02 -6.209299015e+02 -6.214777218e+02 -2.275442345e+02 -4.224444923e+02 -5.844720904e+02 -2.880699732e+02 -4.203840361e+02 1.16 -5.890588416e+02 -3.994784477e+02 -5.411516790e+02 -5.873304792e+02 -5.876641378e+02 -2.115265956e+02 -3.991289647e+02 -5.518979671e+02 -2.679539071e+02 -3.956860336e+02 1.18 -5.568250843e+02 -3.759970288e+02 -5.117806208e+02 -5.562352733e+02 -5.565731016e+02 -1.953749654e+02 -3.770556077e+02 -5.213327489e+02 -2.489352296e+02 -3.715798466e+02 1.20 -5.261422408e+02 -3.538280100e+02 -4.821775444e+02 -5.269280708e+02 -5.275055396e+02 -1.788910829e+02 -3.558166182e+02 -4.924153188e+02 -2.311149399e+02 -3.488593503e+02 1.22 -4.971094670e+02 -3.331072976e+02 -4.526962580e+02 -4.989859147e+02 -4.997645065e+02 -1.624712871e+02 -3.355752212e+02 -4.650180004e+02 -2.147211573e+02 -3.275308124e+02 1.24 -4.698657845e+02 -3.137174217e+02 -4.250032187e+02 -4.721580595e+02 -4.728662400e+02 -1.471385694e+02 -3.164294932e+02 -4.394048688e+02 -1.998887258e+02 -3.070972782e+02 1.26 -4.447152629e+02 -2.953856315e+02 -4.000984157e+02 -4.465447131e+02 -4.469562074e+02 -1.338242855e+02 -2.981687952e+02 -4.158028410e+02 -1.864080460e+02 -2.873028065e+02 1.28 -4.216312748e+02 -2.776069181e+02 -3.777379673e+02 -4.224253052e+02 -4.224920359e+02 -1.226745170e+02 -2.803216428e+02 -3.940733906e+02 -1.737293456e+02 -2.683757789e+02 1.30 -4.002283272e+02 -2.601862199e+02 -3.574429015e+02 -3.999875676e+02 -3.997324045e+02 -1.131468532e+02 -2.626697999e+02 -3.738977362e+02 -1.613770165e+02 -2.509162572e+02 1.32 -3.801569625e+02 -2.434719367e+02 -3.392187522e+02 -3.791314955e+02 -3.785107014e+02 -1.047289760e+02 -2.455084669e+02 -3.549841962e+02 -1.492097190e+02 -2.353302150e+02 1.34 -3.612223002e+02 -2.277162186e+02 -3.229872601e+02 -3.595229087e+02 -3.584478754e+02 -9.721234362e+01 -2.293559492e+02 -3.370309573e+02 -1.373418419e+02 -2.214966586e+02 1.36 -3.430695394e+02 -2.128179483e+02 -3.079987679e+02 -3.408259560e+02 -3.393464466e+02 -9.040862948e+01 -2.146070936e+02 -3.196400892e+02 -1.259827348e+02 -2.087554523e+02 1.38 -3.253874237e+02 -1.987908183e+02 -2.932689406e+02 -3.229256099e+02 -3.213035090e+02 -8.397603449e+01 -2.012756980e+02 -3.025425585e+02 -1.153266909e+02 -1.962818536e+02 1.40 -3.082696132e+02 -1.858090733e+02 -2.783503927e+02 -3.059691077e+02 -3.045509376e+02 -7.758695085e+01 -1.889369969e+02 -2.858035225e+02 -1.053561983e+02 -1.835707372e+02 1.42 -2.919407447e+02 -1.737170862e+02 -2.634614374e+02 -2.900883835e+02 -2.891265951e+02 -7.111116393e+01 -1.770314426e+02 -2.696052194e+02 -9.588750390e+01 -1.706474190e+02 1.44 -2.762413967e+02 -1.620476017e+02 -2.489864851e+02 -2.751807741e+02 -2.747972435e+02 -6.459234295e+01 -1.652645111e+02 -2.540058343e+02 -8.680901652e+01 -1.579788392e+02 1.46 -2.606938352e+02 -1.505572811e+02 -2.350073336e+02 -2.608970950e+02 -2.611319027e+02 -5.816725194e+01 -1.536657183e+02 -2.389768586e+02 -7.813530381e+01 -1.461457024e+02 1.48 -2.452030279e+02 -1.394552110e+02 -2.212698102e+02 -2.469531930e+02 -2.477687670e+02 -5.197400772e+01 -1.423747310e+02 -2.246510818e+02 -6.987814882e+01 -1.354914767e+02 1.50 -2.302816289e+02 -1.290862095e+02 -2.075281132e+02 -2.333323140e+02 -2.346091022e+02 -4.611102597e+01 -1.314713965e+02 -2.112667889e+02 -6.199545844e+01 -1.259034574e+02 1.52 -2.166174633e+02 -1.194685596e+02 -1.936682964e+02 -2.201619674e+02 -2.217072442e+02 -4.053637062e+01 -1.209810891e+02 -1.989386806e+02 -5.447534893e+01 -1.170451593e+02 1.54 -2.044218483e+02 -1.102956744e+02 -1.797832631e+02 -2.075138526e+02 -2.091073475e+02 -3.508592856e+01 -1.109786521e+02 -1.875205230e+02 -4.737125680e+01 -1.086150151e+02 1.56 -1.933334391e+02 -1.012549814e+02 -1.662573439e+02 -1.953659649e+02 -1.968140843e+02 -2.964635124e+01 -1.015988416e+02 -1.767061658e+02 -4.073772554e+01 -1.003811518e+02 1.58 -1.828553207e+02 -9.232278312e+01 -1.537212102e+02 -1.837013968e+02 -1.848723972e+02 -2.428246724e+01 -9.297762801e+01 -1.662495292e+02 -3.459290927e+01 -9.217995798e+01 1.60 -1.726820037e+02 -8.373452983e+01 -1.427069826e+02 -1.725379393e+02 -1.733712894e+02 -1.917790083e+01 -8.510687923e+01 -1.560694854e+02 -2.894071111e+01 -8.395592480e+01 1.62 -1.626819114e+02 -7.573639882e+01 -1.332459026e+02 -1.618414221e+02 -1.623283446e+02 -1.481725789e+01 -7.777555286e+01 -1.461689983e+02 -2.375431295e+01 -7.577343951e+01 1.64 -1.528135623e+02 -6.841142570e+01 -1.249260658e+02 -1.515166557e+02 -1.516508197e+02 -1.139142053e+01 -7.068116061e+01 -1.365380826e+02 -1.896515339e+01 -6.776663726e+01 1.66 -1.430873565e+02 -6.162341870e+01 -1.172724776e+02 -1.414927944e+02 -1.412389562e+02 -8.647963681e+00 -6.362072019e+01 -1.270979338e+02 -1.482100292e+01 -6.005218767e+01 1.68 -1.335070341e+02 -5.511234406e+01 -1.099817435e+02 -1.317433924e+02 -1.310559494e+02 -6.419095699e+00 -5.656612624e+01 -1.177928984e+02 -1.161251187e+01 -5.267339352e+01 1.70 -1.240667857e+02 -4.866575742e+01 -1.028679152e+02 -1.222963751e+02 -1.211672238e+02 -4.586153199e+00 -4.961178522e+01 -1.086552819e+02 -9.175026681e+00 -4.563557321e+01 1.72 -1.147951129e+02 -4.222335899e+01 -9.577265769e+01 -1.132229473e+02 -1.117327356e+02 -3.068977918e+00 -4.287261042e+01 -9.981794098e+01 -7.338795605e+00 -3.897949962e+01 1.74 -1.057695805e+02 -3.587199190e+01 -8.855428642e+01 -1.045859995e+02 -1.029130616e+02 -1.828976621e+00 -3.642871742e+01 -9.140804771e+01 -5.935623602e+00 -3.276753553e+01 1.76 -9.706505646e+01 -2.978301950e+01 -8.118294523e+01 -9.641035160e+01 -9.479783213e+01 -8.660631500e-01 -3.033470337e+01 -8.349114480e+01 -4.834087658e+00 -2.702877121e+01 1.78 -8.874930452e+01 -2.411640681e+01 -7.376358494e+01 -8.867768059e+01 -8.735570703e+01 -1.786374026e-01 -2.461808455e+01 -7.608413568e+01 -3.951226038e+00 -2.177186792e+01 1.80 -8.092361588e+01 -1.892961516e+01 -6.648548484e+01 -8.135356488e+01 -8.046108093e+01 2.630900743e-01 -1.927426543e+01 -6.918440458e+01 -3.242098405e+00 -1.703015636e+01 1.82 -7.372965128e+01 -1.451196422e+01 -5.952973732e+01 -7.443474684e+01 -7.399276164e+01 5.154214369e-01 -1.448903085e+01 -6.278414411e+01 -2.684886757e+00 -1.324740949e+01 1.84 -6.723301598e+01 -1.105856930e+01 -5.297464842e+01 -6.793114206e+01 -6.788107701e+01 6.231545121e-01 -1.083410127e+01 -5.681141641e+01 -2.263013044e+00 -1.051096020e+01 1.86 -6.131818404e+01 -8.423505121e+00 -4.676271132e+01 -6.180944658e+01 -6.207608528e+01 5.695749152e-01 -8.145122971e+00 -5.111096015e+01 -1.957224139e+00 -8.517129318e+00 1.88 -5.575286772e+01 -6.435702420e+00 -4.079848979e+01 -5.600432303e+01 -5.653276487e+01 3.943191656e-01 -6.222386186e+00 -4.550948783e+01 -1.747668012e+00 -7.015972625e+00 1.90 -5.033335307e+01 -4.995327461e+00 -3.504792221e+01 -5.044558013e+01 -5.119575492e+01 1.815089039e-01 -4.884798936e+00 -3.988811982e+01 -1.616535715e+00 -5.855208187e+00 1.92 -4.494107596e+01 -4.022259793e+00 -2.956142162e+01 -4.505482179e+01 -4.598426104e+01 1.588075090e-03 -3.971559566e+00 -3.421305355e+01 -1.548128813e+00 -4.956483133e+00 1.94 -3.952555218e+01 -3.430837227e+00 -2.440919698e+01 -3.974859289e+01 -4.080777572e+01 -1.298311509e-01 -3.354906080e+00 -2.853239915e+01 -1.529531861e+00 -4.271104173e+00 1.96 -3.405552769e+01 -3.128191489e+00 -1.958387068e+01 -3.445011750e+01 -3.558869687e+01 -2.365117784e-01 -2.943124928e+00 -2.294484593e+01 -1.569824549e+00 -3.749321334e+00 1.98 -2.850805691e+01 -3.023960507e+00 -1.509135007e+01 -2.911544110e+01 -3.028944459e+01 -3.366237967e-01 -2.674748781e+00 -1.757726902e+01 -1.686923780e+00 -3.340394017e+00 2.00 -2.293285816e+01 -3.041362393e+00 -1.142688145e+01 -2.377787868e+01 -2.494488115e+01 -4.400448536e-01 -2.513239122e+00 -1.292999903e+01 -1.864509366e+00 -3.007319270e+00 2.02 -1.747779028e+01 -3.121823311e+00 -8.521353925e+00 -1.854918606e+01 -1.965789772e+01 -5.518525676e-01 -2.434784620e+00 -9.612251614e+00 -2.063891703e+00 -2.733829639e+00 2.04 -1.275099053e+01 -3.226852599e+00 -6.285060980e+00 -1.380972553e+01 -1.467330104e+01 -6.745192460e-01 -2.420756609e+00 -7.347371408e+00 -2.249382902e+00 -2.516570083e+00 2.06 -9.441795616e+00 -3.341092242e+00 -4.664646272e+00 -1.028310199e+01 -1.084030660e+01 -8.090780395e-01 -2.456141622e+00 -5.849252108e+00 -2.396485673e+00 -2.358522166e+00 2.08 -7.256782528e+00 -3.455515451e+00 -3.593646917e+00 -7.814299334e+00 -8.110025297e+00 -9.562705412e-01 -2.528433663e+00 -4.876209174e+00 -2.504824250e+00 -2.262123336e+00 2.10 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