# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr1 # composition = Ni # 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 nan nan 0.78 nan nan nan nan nan nan nan nan 3.053652544e+02 nan 0.80 nan nan nan nan nan nan nan nan 2.771337680e+02 nan 0.82 nan nan nan nan nan nan nan nan 2.517202634e+02 nan 0.84 nan nan nan nan nan nan nan nan 2.287791136e+02 nan 0.86 nan nan nan nan nan 1.747127765e+02 nan nan 2.080480054e+02 nan 0.88 nan nan nan nan nan 1.585073808e+02 nan nan 1.892828310e+02 nan 0.90 nan nan nan nan nan 1.439110902e+02 nan nan 1.722533821e+02 nan 0.92 nan nan nan nan nan 1.307919580e+02 nan nan 1.567854766e+02 nan 0.94 nan nan nan nan nan 1.189899077e+02 nan nan 1.427090533e+02 nan 0.96 nan nan nan 3.040985921e+02 3.040952260e+02 1.083670957e+02 nan nan 1.299026192e+02 1.952971442e+02 0.98 nan nan nan 2.810209456e+02 2.810204511e+02 9.880566732e+01 nan nan 1.182577113e+02 1.791854885e+02 1.00 nan 1.635527348e+02 nan 2.599242945e+02 2.599231732e+02 9.020858998e+01 1.673682734e+02 nan 1.076674063e+02 1.644035977e+02 1.02 nan 1.503252745e+02 nan 2.406119482e+02 2.406113359e+02 8.245473428e+01 1.537022321e+02 nan 9.801229272e+01 1.508693940e+02 1.04 nan 1.381440623e+02 nan 2.228705336e+02 2.228723201e+02 7.546346506e+01 1.411136166e+02 nan 8.921179714e+01 1.384535130e+02 1.06 nan 1.268783633e+02 nan 2.065526959e+02 2.065569160e+02 6.914280280e+01 1.295325172e+02 nan 8.118409873e+01 1.270591354e+02 1.08 nan 1.164531384e+02 nan 1.915245269e+02 1.915342778e+02 6.339127988e+01 1.188578358e+02 nan 7.385412829e+01 1.165863034e+02 1.10 1.776286739e+02 1.068015114e+02 1.579458386e+02 1.776478014e+02 1.776640671e+02 5.814855556e+01 1.090196655e+02 1.636642087e+02 6.715506507e+01 1.069538790e+02 1.12 1.647529593e+02 9.783659124e+01 1.461415869e+02 1.647917476e+02 1.648116856e+02 5.338043721e+01 9.994725503e+01 1.515817873e+02 6.102738654e+01 9.810123845e+01 1.14 1.528277684e+02 8.951175062e+01 1.351974457e+02 1.528631996e+02 1.528820443e+02 4.903572101e+01 9.155991636e+01 1.403772171e+02 5.543075384e+01 8.997134518e+01 1.16 1.417386738e+02 8.178050354e+01 1.250223148e+02 1.417621515e+02 1.417711624e+02 4.506897065e+01 8.382260874e+01 1.299615004e+02 5.031714997e+01 8.248918926e+01 1.18 1.314402575e+02 7.460365938e+01 1.155368573e+02 1.314371773e+02 1.314407394e+02 4.143177762e+01 7.668612306e+01 1.202580564e+02 4.564612299e+01 7.557699788e+01 1.20 1.218327894e+02 6.793522776e+01 1.066839135e+02 1.218148680e+02 1.218184879e+02 3.809414468e+01 7.009032087e+01 1.111989705e+02 4.137244864e+01 6.919463056e+01 1.22 1.128442029e+02 6.174839996e+01 9.838687292e+01 1.128268450e+02 1.128302817e+02 3.501608727e+01 6.399676020e+01 1.027315527e+02 3.746476063e+01 6.331883746e+01 1.24 1.044210632e+02 5.601157686e+01 9.064693987e+01 1.044187166e+02 1.044237000e+02 3.217768713e+01 5.836203003e+01 9.481056627e+01 3.388870679e+01 5.788535351e+01 1.26 9.654833331e+01 5.070216339e+01 8.342080532e+01 9.655522166e+01 9.656427139e+01 2.956083029e+01 5.315588051e+01 8.740790359e+01 3.061245080e+01 5.285399317e+01 1.28 8.916894790e+01 4.577626954e+01 7.665307345e+01 8.919697989e+01 8.920958514e+01 2.713670348e+01 4.833337193e+01 8.048348413e+01 2.761030276e+01 4.821343987e+01 1.30 8.227153662e+01 4.123126844e+01 7.033784314e+01 8.230947774e+01 8.232404084e+01 2.489324762e+01 4.386657465e+01 7.402019266e+01 2.485997499e+01 4.393719378e+01 1.32 7.581967501e+01 3.703178526e+01 6.444059735e+01 7.584806838e+01 7.586023033e+01 2.281296447e+01 3.973764723e+01 6.797929590e+01 2.233743210e+01 3.999192827e+01 1.34 6.977292599e+01 3.317049080e+01 5.894253170e+01 6.978970183e+01 6.980041198e+01 2.089541309e+01 3.592649027e+01 6.232987180e+01 2.002683281e+01 3.635595834e+01 1.36 6.411862156e+01 2.962484425e+01 5.380790168e+01 6.411785604e+01 6.412494949e+01 1.912005357e+01 3.242385036e+01 5.704439084e+01 1.791287643e+01 3.299590226e+01 1.38 5.882373212e+01 2.636295656e+01 4.904129867e+01 5.881193517e+01 5.881208273e+01 1.747799306e+01 2.919789636e+01 5.211088751e+01 1.597761849e+01 2.988365666e+01 1.40 5.386429396e+01 2.337018456e+01 4.460950969e+01 5.384836796e+01 5.384423178e+01 1.595534236e+01 2.622998586e+01 4.750562121e+01 1.420873438e+01 2.699951195e+01 1.42 4.923231354e+01 2.063539215e+01 4.048808816e+01 4.921388824e+01 4.920829459e+01 1.454189851e+01 2.349694622e+01 4.321008367e+01 1.258943411e+01 2.433983229e+01 1.44 4.490078824e+01 1.813293843e+01 3.664751549e+01 4.488761298e+01 4.488395981e+01 1.322337289e+01 2.098300890e+01 3.920802475e+01 1.111394837e+01 2.188227055e+01 1.46 4.085598753e+01 1.584937909e+01 3.307374030e+01 4.085039713e+01 4.084943421e+01 1.199355518e+01 1.867156901e+01 3.547894297e+01 9.766482796e+00 1.961828633e+01 1.48 3.707255278e+01 1.377849376e+01 2.976172785e+01 3.708185442e+01 3.708423170e+01 1.084844218e+01 1.655502702e+01 3.201369505e+01 8.547176738e+00 1.752767124e+01 1.50 3.356155999e+01 1.190334432e+01 2.670348532e+01 3.357580252e+01 3.358043204e+01 9.794777994e+00 1.461583454e+01 2.880423646e+01 7.444347810e+00 1.560378657e+01 1.52 3.029692415e+01 1.020461739e+01 2.388177135e+01 3.031356352e+01 3.032050985e+01 8.827541700e+00 1.283914586e+01 2.583478099e+01 6.448976475e+00 1.382808450e+01 1.54 2.727273727e+01 8.661422381e+00 2.127447762e+01 2.728875453e+01 2.729814940e+01 7.938867558e+00 1.121207396e+01 2.309108285e+01 5.548459354e+00 1.220142702e+01 1.56 2.446572393e+01 7.270739042e+00 1.887027212e+01 2.448534827e+01 2.449767611e+01 7.118005735e+00 9.725097523e+00 2.056385040e+01 4.738104555e+00 1.070446527e+01 1.58 2.188016762e+01 6.022690575e+00 1.667318857e+01 2.189800354e+01 2.191095398e+01 6.345072443e+00 8.366199517e+00 1.824026547e+01 4.008736481e+00 9.346124260e+00 1.60 1.949607834e+01 4.901374366e+00 1.466370407e+01 1.950932014e+01 1.952065571e+01 5.608664136e+00 7.130128430e+00 1.610998180e+01 3.349957872e+00 8.111865704e+00 1.62 1.730239749e+01 3.895249202e+00 1.282949640e+01 1.730818453e+01 1.731434585e+01 4.910835657e+00 6.011332069e+00 1.415813342e+01 2.748349146e+00 6.993361545e+00 1.64 1.528408988e+01 2.989544751e+00 1.115591770e+01 1.528247646e+01 1.528469432e+01 4.250528193e+00 5.004679325e+00 1.236812293e+01 2.185438745e+00 5.980624653e+00 1.66 1.342345059e+01 2.189236456e+00 9.628507915e+00 1.342114784e+01 1.342081444e+01 3.626274983e+00 4.101194978e+00 1.073116969e+01 1.657193998e+00 5.063868686e+00 1.68 1.172660511e+01 1.481267794e+00 8.232078641e+00 1.171628107e+01 1.171196994e+01 3.036294408e+00 3.291951076e+00 9.239270512e+00 1.163463224e+00 4.233538672e+00 1.70 1.017765181e+01 8.555392306e-01 6.962327467e+00 1.016072512e+01 1.015383257e+01 2.477940350e+00 2.567653081e+00 7.881036409e+00 7.012049364e-01 3.480180280e+00 1.72 8.763905593e+00 3.024363197e-01 5.815098635e+00 8.743029263e+00 8.734611012e+00 1.954206090e+00 1.917754750e+00 6.642818276e+00 2.691914991e-01 2.792761984e+00 1.74 7.472890592e+00 -1.893268659e-01 4.777168100e+00 7.449970742e+00 7.441194358e+00 1.461785457e+00 1.341281594e+00 5.517271298e+00 -1.303661131e-01 2.182210895e+00 1.76 6.292263993e+00 -6.314074330e-01 3.836085526e+00 6.274552845e+00 6.266730905e+00 9.964318711e-01 8.300700810e-01 4.497572298e+00 -4.995513986e-01 1.637071402e+00 1.78 5.204493890e+00 -1.037178137e+00 2.991030853e+00 5.202352350e+00 5.197418283e+00 5.661073406e-01 3.633583638e-01 3.570074827e+00 -8.415737667e-01 1.131923938e+00 1.80 4.226392013e+00 -1.408203699e+00 2.230859592e+00 4.234321734e+00 4.232009957e+00 1.667876462e-01 -7.229856204e-02 2.740065802e+00 -1.159390834e+00 6.645356894e-01 1.82 3.344793423e+00 -1.747758418e+00 1.546298926e+00 3.358207524e+00 3.358592094e+00 -2.036268249e-01 -4.757950486e-01 1.995726716e+00 -1.450721971e+00 2.314389904e-01 1.84 2.550612619e+00 -2.058799976e+00 9.284914679e-01 2.567720430e+00 2.570890382e+00 -5.472944352e-01 -8.515330026e-01 1.327748470e+00 -1.717422445e+00 -1.697240205e-01 1.86 1.834158261e+00 -2.344748252e+00 3.675742361e-01 1.854479909e+00 1.860780754e+00 -8.664292580e-01 -1.201918891e+00 7.338584225e-01 -1.961866632e+00 -5.418482436e-01 1.88 1.196311748e+00 -2.605365912e+00 -1.365858155e-01 1.213067750e+00 1.220135174e+00 -1.165350379e+00 -1.520151129e+00 2.036760283e-01 -2.186726726e+00 -8.843486640e-01 1.90 6.272860884e-01 -2.844998623e+00 -5.760191152e-01 6.406603377e-01 6.488693760e-01 -1.436204738e+00 -1.809216164e+00 -2.654427165e-01 -2.389342295e+00 -1.200638286e+00 1.92 1.199285402e-01 -3.062716996e+00 -9.702800398e-01 1.309109188e-01 1.402743284e-01 -1.682662230e+00 -2.071479137e+00 -6.801435513e-01 -2.571233936e+00 -1.493423646e+00 1.94 -3.335318498e-01 -3.255614459e+00 -1.333078909e+00 -3.235588876e-01 -3.128902987e-01 -1.906234704e+00 -2.309253663e+00 -1.057583974e+00 -2.734658627e+00 -1.766745505e+00 1.96 -7.318460950e-01 -3.425500104e+00 -1.667964809e+00 -7.248986611e-01 -7.138579149e-01 -2.109691495e+00 -2.524862280e+00 -1.405205617e+00 -2.881917291e+00 -2.014095948e+00 1.98 -1.096406503e+00 -3.574996126e+00 -1.973129977e+00 -1.093230260e+00 -1.082568922e+00 -2.289882595e+00 -2.720647249e+00 -1.726200672e+00 -3.014384578e+00 -2.240166489e+00 2.00 -1.434665188e+00 -3.706079314e+00 -2.251055390e+00 -1.436816644e+00 -1.427374280e+00 -2.448486982e+00 -2.899443324e+00 -2.023894810e+00 -3.131304159e+00 -2.447310891e+00 2.02 -1.750211249e+00 -3.820685068e+00 -2.503822018e+00 -1.754519030e+00 -1.747242743e+00 -2.585975277e+00 -3.060942761e+00 -2.298777097e+00 -3.232384981e+00 -2.639069225e+00 2.04 -2.042486119e+00 -3.920720097e+00 -2.733488030e+00 -2.048211303e+00 -2.044179562e+00 -2.706682731e+00 -3.205853107e+00 -2.551507568e+00 -3.319674639e+00 -2.814541200e+00 2.06 -2.309452546e+00 -4.008076600e+00 -2.942097324e+00 -2.319204925e+00 -2.320810412e+00 -2.811207780e+00 -3.336700272e+00 -2.781415652e+00 -3.392007309e+00 -2.971320495e+00 2.08 -2.554639367e+00 -4.086453444e+00 -3.131689874e+00 -2.566232992e+00 -2.571834205e+00 -2.900666177e+00 -3.457038381e+00 -2.992075670e+00 -3.450945211e+00 -3.112811510e+00 2.10 -2.780200581e+00 -4.151146457e+00 -3.304315216e+00 -2.791910642e+00 -2.800410306e+00 -2.976151254e+00 -3.561825795e+00 -3.182678749e+00 -3.497396067e+00 -3.240828907e+00 2.12 -2.988338348e+00 -4.204481128e+00 -3.462067430e+00 -2.998244294e+00 -3.008456405e+00 -3.038743143e+00 -3.654184318e+00 -3.356042593e+00 -3.531433537e+00 -3.357185263e+00 2.14 -3.184125243e+00 -4.247247575e+00 -3.609673526e+00 -3.188656258e+00 -3.198813035e+00 -3.090702047e+00 -3.736246362e+00 -3.515019301e+00 -3.557690144e+00 -3.466234719e+00 2.16 -3.356792672e+00 -4.278387322e+00 -3.737535497e+00 -3.358633599e+00 -3.369011394e+00 -3.127357915e+00 -3.808529039e+00 -3.654017275e+00 -3.574246659e+00 -3.558456769e+00 2.18 -3.511031305e+00 -4.299742088e+00 -3.850078483e+00 -3.511382670e+00 -3.521711280e+00 -3.150406413e+00 -3.869963307e+00 -3.776783002e+00 -3.582064642e+00 -3.637864966e+00 2.20 -3.648334615e+00 -4.312380499e+00 -3.948793488e+00 -3.648507142e+00 -3.658489026e+00 -3.160885689e+00 -3.923700370e+00 -3.884781737e+00 -3.581759210e+00 -3.705496667e+00 2.22 -3.770152630e+00 -4.317328810e+00 -4.035147525e+00 -3.772793619e+00 -3.782097818e+00 -3.166451480e+00 -3.967195406e+00 -3.979444012e+00 -3.574390314e+00 -3.762309457e+00 2.24 -3.877899286e+00 -4.315580602e+00 -4.110593462e+00 -3.881559862e+00 -3.889815080e+00 -3.166112765e+00 -4.002767811e+00 -4.062174709e+00 -3.558336432e+00 -3.809188382e+00 2.26 -3.973517909e+00 -4.309249945e+00 -4.178840792e+00 -3.977357561e+00 -3.983865651e+00 -3.162764914e+00 -4.029363353e+00 -4.134737960e+00 -3.534652293e+00 -3.848097128e+00 2.28 -4.056785202e+00 -4.296110363e+00 -4.234923729e+00 -4.060703696e+00 -4.065504543e+00 -3.151711777e+00 -4.045656244e+00 -4.197449358e+00 -3.503683981e+00 -3.876616910e+00 2.30 -4.128878638e+00 -4.276836463e+00 -4.279631834e+00 -4.132800411e+00 -4.135956825e+00 -3.133053529e+00 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