# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-4 # implementation = 2015--Borovikov-V--fictional-Cu-4--LAMMPS--ipr1 # composition = Cu # 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 nan nan 0.76 nan nan nan nan nan nan nan nan 8.980411681e+04 nan 0.78 nan nan nan nan nan nan nan nan 7.752691593e+04 nan 0.80 nan nan nan nan nan nan nan nan 6.645365560e+04 nan 0.82 nan nan nan nan nan 3.945994488e+04 nan nan 5.644085889e+04 nan 0.84 nan nan nan nan nan 3.158551526e+04 nan nan 4.736471625e+04 nan 0.86 nan nan nan nan nan 2.443199371e+04 nan nan 3.911847215e+04 nan 0.88 nan nan nan nan nan 1.821755891e+04 nan nan 3.160957920e+04 nan 0.90 nan nan nan nan nan 1.361588918e+04 nan nan 2.475765992e+04 nan 0.92 nan nan nan 1.003890760e+05 1.003898276e+05 1.023627879e+04 nan nan 1.870953151e+04 4.941103549e+04 0.94 nan 4.165698796e+04 nan 8.948699517e+04 8.948756688e+04 7.739897370e+03 4.331978907e+04 nan 1.414347672e+04 4.172082673e+04 0.96 nan 3.459894197e+04 nan 7.947935328e+04 7.947962631e+04 5.885644163e+03 3.616111587e+04 nan 1.074631650e+04 3.466230362e+04 0.98 nan 2.810877563e+04 nan 7.027655554e+04 7.027654919e+04 4.500900320e+03 2.957898129e+04 nan 8.205584231e+03 2.817193026e+04 1.00 nan 2.213073203e+04 nan 6.179966079e+04 6.179950272e+04 3.461346474e+03 2.351650259e+04 nan 6.295866459e+03 2.219377302e+04 1.02 nan 1.710130714e+04 nan 5.397838658e+04 5.397818600e+04 2.676817544e+03 1.820824059e+04 nan 4.853438975e+03 1.715723981e+04 1.04 nan 1.326999873e+04 3.693943781e+04 4.675022760e+04 4.675002670e+04 2.081709752e+03 1.413574125e+04 3.986161084e+04 3.758790622e+03 1.331976148e+04 1.06 4.005979154e+04 1.033845211e+04 3.079814687e+04 4.006008218e+04 4.005992568e+04 1.628204983e+03 1.101860183e+04 3.355676846e+04 2.924349044e+03 1.038305956e+04 1.08 3.385857833e+04 8.085807633e+03 2.510666187e+04 3.385900758e+04 3.385894375e+04 1.281066541e+03 8.622511139e+03 2.771321409e+04 2.285455584e+03 8.126117322e+03 1.10 2.810305030e+04 6.347876959e+03 1.990813924e+04 2.810333839e+04 2.810335638e+04 1.013999052e+03 6.773125487e+03 2.228969411e+04 1.794151003e+03 6.384441343e+03 1.12 2.275401439e+04 5.001708521e+03 1.574051069e+04 2.275402820e+04 2.275411170e+04 8.074856791e+02 5.340064587e+03 1.762981050e+04 1.414721424e+03 5.035053996e+03 1.14 1.807908151e+04 3.955006665e+03 1.248834144e+04 1.807894878e+04 1.807908529e+04 6.469803965e+02 4.225367270e+03 1.399165471e+04 1.120483767e+03 3.985565883e+03 1.16 1.440699958e+04 3.138074682e+03 9.941129556e+03 1.440692522e+04 1.440711718e+04 5.215813442e+02 3.355091627e+03 1.114137715e+04 8.913410127e+02 3.166251391e+03 1.18 1.151788502e+04 2.498167421e+03 7.938949396e+03 1.151792841e+04 1.151813879e+04 4.230847965e+02 2.673183210e+03 8.900533038e+03 7.121339606e+02 2.524386622e+03 1.20 9.237035142e+03 1.995141135e+03 6.359759262e+03 9.237179265e+03 9.237370603e+03 3.452960194e+02 2.136984391e+03 7.132711739e+03 5.713948459e+02 2.019768610e+03 1.22 7.430341887e+03 1.598343557e+03 5.110060854e+03 7.430532097e+03 7.430682303e+03 2.835178813e+02 1.713919941e+03 5.733382573e+03 4.604165817e+02 1.621650649e+03 1.24 5.994576425e+03 1.284294015e+03 4.117988503e+03 5.994756280e+03 5.994862616e+03 2.342390218e+02 1.379050259e+03 4.622125613e+03 3.725801659e+02 1.306450652e+03 1.26 4.849989920e+03 1.034932007e+03 3.328069636e+03 4.850133506e+03 4.850209958e+03 1.947958825e+02 1.113144580e+03 3.736853354e+03 3.028343082e+02 1.056017199e+03 1.28 3.934765350e+03 8.362971525e+02 2.697171852e+03 3.934858785e+03 3.934913986e+03 1.629915860e+02 9.012995463e+02 3.029464883e+03 2.472060990e+02 8.563519269e+02 1.30 3.200778330e+03 6.775664181e+02 2.191770795e+03 3.200828329e+03 3.200868172e+03 1.371522044e+02 7.319661039e+02 2.462551230e+03 2.026342959e+02 6.966351300e+02 1.32 2.610445715e+03 5.503336279e+02 1.785715649e+03 2.610471404e+03 2.610501258e+03 1.160012514e+02 5.961738427e+02 2.006913911e+03 1.667569893e+02 5.684697675e+02 1.34 2.134331184e+03 4.480502118e+02 1.458549296e+03 2.134349834e+03 2.134372948e+03 9.856397834e+01 4.869308629e+02 1.639690610e+03 1.377445457e+02 4.653034975e+02 1.36 1.749304343e+03 3.655893396e+02 1.194214750e+03 1.749320872e+03 1.749337407e+03 8.408919855e+01 3.987733169e+02 1.342938428e+03 1.142237723e+02 3.820036732e+02 1.38 1.437121318e+03 2.989200537e+02 9.800704603e+02 1.437131985e+03 1.437140990e+03 7.199369303e+01 3.274433935e+02 1.102491433e+03 9.508648076e+01 3.145326495e+02 1.40 1.183347571e+03 2.448647991e+02 8.061348293e+02 1.183347353e+03 1.183349327e+03 6.182375504e+01 2.696229731e+02 9.071484681e+02 7.942746964e+01 2.597057823e+02 1.42 9.765334766e+02 2.009158254e+02 6.645051261e+02 9.765226931e+02 9.765208303e+02 5.322522493e+01 2.226016377e+02 7.480357579e+02 6.654239409e+01 2.150161876e+02 1.44 8.076159436e+02 1.650920713e+02 5.488972751e+02 8.076021980e+02 8.076013836e+02 4.591774385e+01 1.842318023e+02 6.181374230e+02 5.588135155e+01 1.785734104e+02 1.46 6.693120221e+02 1.358224392e+02 4.542937691e+02 6.693037355e+02 6.693074936e+02 3.967415775e+01 1.528124304e+02 5.118283234e+02 4.701146421e+01 1.487658351e+02 1.48 5.557874516e+02 1.118511284e+02 3.766841660e+02 5.557885879e+02 5.557976417e+02 3.431231047e+01 1.269959543e+02 4.246050589e+02 3.959191876e+01 1.242828866e+02 1.50 4.623720565e+02 9.216987842e+01 3.128587111e+02 4.623831997e+02 4.623961719e+02 2.968752960e+01 1.057135780e+02 3.528646230e+02 3.335543910e+01 1.040880777e+02 1.52 3.853204575e+02 7.597067979e+01 2.602399747e+02 3.853399852e+02 3.853541386e+02 2.568140897e+01 8.811537793e+01 2.937181835e+02 2.809132712e+01 8.736000277e+01 1.54 3.216230772e+02 6.260601402e+01 2.167545643e+02 3.216466023e+02 3.216590539e+02 2.219636627e+01 7.352184563e+01 2.448434417e+02 2.363069155e+01 7.344733061e+01 1.56 2.688515389e+02 5.155551120e+01 1.807329093e+02 2.688738160e+02 2.688830091e+02 1.915265159e+01 6.138689448e+01 2.043662566e+02 1.983673260e+01 6.182952290e+01 1.58 2.250374063e+02 4.240155754e+01 1.508295740e+02 2.250551290e+02 2.250613482e+02 1.648581367e+01 5.127057580e+01 1.707697354e+02 1.659846041e+01 5.208792163e+01 1.60 1.885808337e+02 3.480665969e+01 1.259585108e+02 1.885926604e+02 1.885967724e+02 1.414438780e+01 4.281529209e+01 1.428234306e+02 1.382614362e+01 4.388703874e+01 1.62 1.581819860e+02 2.849557377e+01 1.052406656e+02 1.581867749e+02 1.581890666e+02 1.208757315e+01 3.574997966e+01 1.195297155e+02 1.144716366e+01 3.695963941e+01 1.64 1.327840816e+02 2.324716505e+01 8.795851314e+01 1.327804251e+02 1.327802935e+02 1.028109563e+01 2.984215031e+01 1.000769251e+02 9.410172798e+00 3.109057985e+01 1.66 1.115240288e+02 1.891455851e+01 7.352076764e+01 1.115112498e+02 1.115077432e+02 8.693789320e+00 2.487982993e+01 8.380065862e+01 7.679957841e+00 2.610344349e+01 1.68 9.369449542e+01 1.533122592e+01 6.143896214e+01 9.367349312e+01 9.366586016e+01 7.297111483e+00 2.069261627e+01 7.015610139e+01 6.203040013e+00 2.185328215e+01 1.70 7.871422851e+01 1.235086824e+01 5.131019581e+01 7.868762686e+01 7.867558973e+01 6.065923226e+00 1.714366057e+01 5.869579560e+01 4.934999935e+00 1.822131311e+01 1.72 6.610483934e+01 9.858298633e+00 4.280403761e+01 6.607584518e+01 6.605962955e+01 4.979781772e+00 1.412306143e+01 4.905218216e+01 3.839895035e+00 1.511065083e+01 1.74 5.547175550e+01 7.762826524e+00 3.565415728e+01 5.544359940e+01 5.542417942e+01 4.021765283e+00 1.154244834e+01 4.092321183e+01 2.889580371e+00 1.244134922e+01 1.76 4.648879702e+01 5.993366188e+00 2.967103867e+01 4.646474247e+01 4.644402957e+01 3.176525435e+00 9.330777258e+00 3.406099631e+01 2.062444484e+00 1.014669953e+01 1.78 3.888654113e+01 4.495145119e+00 2.465543342e+01 3.886980330e+01 3.885036206e+01 2.429968277e+00 7.430830400e+00 2.826198842e+01 1.341733061e+00 8.171277913e+00 1.80 3.244325195e+01 3.233982631e+00 2.043444321e+01 3.243644808e+01 3.242085664e+01 1.769554896e+00 5.796157483e+00 2.335789977e+01 7.144304995e-01 6.469278562e+00 1.82 2.697753210e+01 2.205136801e+00 1.686782305e+01 2.698133977e+01 2.697146131e+01 1.184576184e+00 4.388533416e+00 1.920887480e+01 1.699792109e-01 5.002817657e+00 1.84 2.234112841e+01 1.362299528e+00 1.384238736e+01 2.235332393e+01 2.234979213e+01 6.661305744e-01 3.176224650e+00 1.569698788e+01 -3.012215096e-01 3.740191538e+00 1.86 1.840860592e+01 6.638556951e-01 1.126738505e+01 1.842539673e+01 1.842794917e+01 2.068502160e-01 2.132651226e+00 1.272167274e+01 -7.084318223e-01 2.654552900e+00 1.88 1.507183825e+01 7.744591224e-02 9.070641524e+00 1.508981151e+01 1.509798564e+01 -1.993853681e-01 1.235392040e+00 1.019772073e+01 -1.060019223e+00 1.722916365e+00 1.90 1.223815044e+01 -4.216386924e-01 7.193684160e+00 1.225513380e+01 1.226845767e+01 -5.575694947e-01 4.694705937e-01 8.053649797e+00 -1.363319591e+00 9.252847104e-01 1.92 9.828517018e+00 -8.518546186e-01 5.588208271e+00 9.843795146e+00 9.861625718e+00 -8.716130337e-01 -1.737860744e-01 6.229800260e+00 -1.624926580e+00 2.438666328e-01 1.94 7.775948235e+00 -1.226657503e+00 4.214031440e+00 7.790153665e+00 7.811607050e+00 -1.144849127e+00 -7.137308405e-01 4.676680702e+00 -1.850737873e+00 -3.373072953e-01 1.96 6.024307982e+00 -1.555696003e+00 3.036229514e+00 6.038586363e+00 6.062481240e+00 -1.381063774e+00 -1.167154935e+00 3.381418662e+00 -2.045699501e+00 -8.321210746e-01 1.98 4.527292972e+00 -1.845943805e+00 2.024564428e+00 4.542468154e+00 4.567341901e+00 -1.584387763e+00 -1.548329201e+00 2.321863218e+00 -2.213595702e+00 -1.251815055e+00 2.00 3.246992354e+00 -2.102544581e+00 1.153354955e+00 3.263173637e+00 3.287433351e+00 -1.758965430e+00 -1.869219382e+00 1.448109740e+00 -2.357223031e+00 -1.605704583e+00 2.02 2.193272302e+00 -2.324253198e+00 4.285667761e-01 2.209987719e+00 2.232212960e+00 -1.894973043e+00 -2.125921451e+00 7.351195114e-01 -2.468510516e+00 -1.881923750e+00 2.04 1.356344115e+00 -2.512033939e+00 -1.565815160e-01 1.372972834e+00 1.392284297e+00 -1.990205416e+00 -2.320846439e+00 1.584073163e-01 -2.545373446e+00 -2.080759738e+00 2.06 6.842952159e-01 -2.671886616e+00 -6.363209695e-01 7.002104250e-01 7.162459301e-01 -2.056886765e+00 -2.470128330e+00 -3.149387619e-01 -2.597099792e+00 -2.225004042e+00 2.08 1.369464552e-01 -2.808210908e+00 -1.036287980e+00 1.514947470e-01 1.641806377e-01 -2.103330582e+00 -2.585671005e+00 -7.099879438e-01 -2.630612999e+00 -2.332285019e+00 2.10 -3.163715219e-01 -2.924287978e+00 -1.375037341e+00 -3.038571235e-01 -2.944562295e-01 -2.135298982e+00 -2.675927852e+00 -1.045783639e+00 -2.651170363e+00 -2.415636570e+00 2.12 -6.986443225e-01 -3.022401397e+00 -1.665780716e+00 -6.888398822e-01 -6.826269844e-01 -2.157259703e+00 -2.746804462e+00 -1.336447454e+00 -2.662532706e+00 -2.484053730e+00 2.14 -1.026632716e+00 -3.104517461e+00 -1.917954897e+00 -1.020204686e+00 -1.017147467e+00 -2.172880652e+00 -2.802767873e+00 -1.592012015e+00 -2.666926150e+00 -2.543043640e+00 2.16 -1.311985419e+00 -3.172493272e+00 -2.138307446e+00 -1.309610489e+00 -1.309863600e+00 -2.185061853e+00 -2.847256516e+00 -1.819162703e+00 -2.665254267e+00 -2.595121525e+00 2.18 -1.562744676e+00 -3.227962874e+00 -2.331655232e+00 -1.565045829e+00 -1.568957871e+00 -2.195588570e+00 -2.882800507e+00 -2.022462728e+00 -2.658154963e+00 -2.640899426e+00 2.20 -1.785300108e+00 -3.272507012e+00 -2.501485008e+00 -1.792554528e+00 -1.800399174e+00 -2.205285348e+00 -2.911081329e+00 -2.205404123e+00 -2.646528902e+00 -2.680800732e+00 2.22 -1.984785092e+00 -3.307616089e+00 -2.650411194e+00 -1.996765765e+00 -2.008543055e+00 -2.214335722e+00 -2.933235993e+00 -2.370687387e+00 -2.631671842e+00 -2.715328878e+00 2.24 -2.165103797e+00 -3.334630369e+00 -2.780498624e+00 -2.181121489e+00 -2.196487574e+00 -2.222547499e+00 -2.950192761e+00 -2.520337125e+00 -2.615000143e+00 -2.745001512e+00 2.26 -2.329042808e+00 -3.354721840e+00 -2.893470828e+00 -2.348098557e+00 -2.366380706e+00 -2.229626312e+00 -2.962781312e+00 -2.655883773e+00 -2.597473217e+00 -2.770320276e+00 2.28 -2.478540561e+00 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