# 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--ipr2 # 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 nan nan 0.80 nan nan nan nan nan nan nan nan 4.872602889e+01 nan 0.82 nan nan nan nan nan nan nan nan 4.441332121e+01 nan 0.84 nan nan nan nan nan nan nan nan 4.072190031e+01 nan 0.86 nan nan nan nan nan 4.018494489e+01 nan nan 3.759132633e+01 nan 0.88 nan nan nan nan nan 3.820917828e+01 nan nan 3.495552882e+01 nan 0.90 nan nan nan nan nan 3.656864573e+01 nan nan 3.273420683e+01 nan 0.92 nan nan nan nan nan 3.523609141e+01 nan nan 3.088160608e+01 nan 0.94 nan nan nan nan nan 3.417878502e+01 nan nan 2.934380985e+01 nan 0.96 nan nan nan nan nan 3.335437141e+01 nan nan 2.809329980e+01 nan 0.98 nan nan nan 4.419849738e+01 4.420755392e+01 3.274423631e+01 nan nan 2.711356035e+01 3.141298667e+01 1.00 nan 2.647260474e+01 nan 4.049363669e+01 4.049853264e+01 3.233202260e+01 2.849333360e+01 nan 2.637366073e+01 2.955448352e+01 1.02 nan 2.495985616e+01 nan 3.723981571e+01 3.724180132e+01 3.208109863e+01 2.691025295e+01 nan 2.583164736e+01 2.799442978e+01 1.04 nan 2.371468272e+01 nan 3.437611424e+01 3.437671609e+01 3.197871946e+01 2.557671780e+01 nan 2.546452289e+01 2.670411851e+01 1.06 nan 2.269361309e+01 nan 3.187268881e+01 3.187345523e+01 3.193446744e+01 2.448156796e+01 nan 2.525204832e+01 2.564757899e+01 1.08 nan 2.187905670e+01 nan 2.970507299e+01 2.970942337e+01 3.150312381e+01 2.359822614e+01 nan 2.517196042e+01 2.479926086e+01 1.10 nan 2.125294396e+01 2.535276007e+01 2.783508202e+01 2.784447798e+01 3.074996232e+01 2.290714230e+01 2.607513674e+01 2.520575899e+01 2.413336843e+01 1.12 2.619100919e+01 2.078621023e+01 2.404397262e+01 2.621996003e+01 2.623263049e+01 2.980987808e+01 2.238878577e+01 2.468387302e+01 2.519169327e+01 2.364066475e+01 1.14 2.480615247e+01 2.046435527e+01 2.296631176e+01 2.483539263e+01 2.484683268e+01 2.876059567e+01 2.201389690e+01 2.352081633e+01 2.476335381e+01 2.331229838e+01 1.16 2.363641421e+01 2.027378381e+01 2.209117829e+01 2.365352455e+01 2.365702146e+01 2.765164180e+01 2.178073404e+01 2.255796160e+01 2.404456908e+01 2.312013818e+01 1.18 2.267634518e+01 2.020523075e+01 2.138449394e+01 2.267002823e+01 2.266824696e+01 2.650786987e+01 2.167854270e+01 2.177008365e+01 2.314159866e+01 2.303100959e+01 1.20 2.188594611e+01 2.024040656e+01 2.082482476e+01 2.186448856e+01 2.186241395e+01 2.535101851e+01 2.168597748e+01 2.113219782e+01 2.212280533e+01 2.303896526e+01 1.22 2.123423968e+01 2.037242173e+01 2.038236251e+01 2.121276904e+01 2.121155426e+01 2.418938367e+01 2.179092723e+01 2.062892903e+01 2.103910942e+01 2.314720681e+01 1.24 2.070598319e+01 2.042206383e+01 2.006816141e+01 2.069754875e+01 2.069854553e+01 2.303319445e+01 2.187745138e+01 2.024882907e+01 1.992206388e+01 2.309632026e+01 1.26 2.030778944e+01 2.007305738e+01 1.987298280e+01 2.031137546e+01 2.031667575e+01 2.189115637e+01 2.159611242e+01 1.998775928e+01 1.879127878e+01 2.268382005e+01 1.28 2.002335171e+01 1.942487454e+01 1.977333438e+01 2.004480740e+01 2.005413221e+01 2.076249938e+01 2.102140492e+01 1.983659670e+01 1.766180244e+01 2.203484662e+01 1.30 1.984994518e+01 1.858161455e+01 1.976674272e+01 1.988342790e+01 1.989504821e+01 1.964812762e+01 2.024168886e+01 1.979198326e+01 1.654339031e+01 2.123308880e+01 1.32 1.978332966e+01 1.760858501e+01 1.984893355e+01 1.981075665e+01 1.982133607e+01 1.855293156e+01 1.933060249e+01 1.984039799e+01 1.544254279e+01 2.033327598e+01 1.34 1.980336991e+01 1.656040769e+01 2.000276381e+01 1.981820516e+01 1.982693500e+01 1.748420010e+01 1.834136469e+01 1.996624739e+01 1.436535579e+01 1.937343584e+01 1.36 1.990506626e+01 1.547343454e+01 1.991262201e+01 1.990474352e+01 1.991004673e+01 1.643766091e+01 1.731507941e+01 2.008344237e+01 1.331569976e+01 1.837244863e+01 1.38 2.006643207e+01 1.436439734e+01 1.951680802e+01 2.005453798e+01 2.005403311e+01 1.541315977e+01 1.626976156e+01 1.987291065e+01 1.229528366e+01 1.734474473e+01 1.40 1.998046139e+01 1.325159603e+01 1.890184258e+01 1.996320130e+01 1.995837761e+01 1.440843557e+01 1.521991661e+01 1.938630977e+01 1.130522797e+01 1.630330893e+01 1.42 1.959483211e+01 1.215475731e+01 1.812845854e+01 1.957646123e+01 1.957026225e+01 1.342135153e+01 1.417487314e+01 1.870154863e+01 1.034546316e+01 1.526496238e+01 1.44 1.899096658e+01 1.107908832e+01 1.723738949e+01 1.897678954e+01 1.897219259e+01 1.244776241e+01 1.314262542e+01 1.787734910e+01 9.419327701e+00 1.423741132e+01 1.46 1.822939887e+01 1.003343857e+01 1.626807713e+01 1.822379743e+01 1.822212269e+01 1.148945944e+01 1.212854275e+01 1.695603483e+01 8.526581610e+00 1.322735837e+01 1.48 1.735459473e+01 9.028019186e+00 1.525828354e+01 1.736169085e+01 1.736342239e+01 1.055196349e+01 1.114139418e+01 1.597428449e+01 7.672548907e+00 1.223557830e+01 1.50 1.641541672e+01 8.066955140e+00 1.423017804e+01 1.642891104e+01 1.643301094e+01 9.641388938e+00 1.018323007e+01 1.496247976e+01 6.858422026e+00 1.126650738e+01 1.52 1.543496525e+01 7.147506723e+00 1.320257545e+01 1.545126943e+01 1.545780787e+01 8.765667582e+00 9.253400183e+00 1.393787762e+01 6.083175694e+00 1.031985390e+01 1.54 1.443548827e+01 6.266680249e+00 1.218043640e+01 1.445195083e+01 1.446103670e+01 7.922783460e+00 8.352472089e+00 1.291517214e+01 5.344068331e+00 9.402763959e+00 1.56 1.342823370e+01 5.428824105e+00 1.117371713e+01 1.344675814e+01 1.345835789e+01 7.112000709e+00 7.482513291e+00 1.190671068e+01 4.641511197e+00 8.514041550e+00 1.58 1.243292260e+01 4.638145423e+00 1.020009318e+01 1.245004667e+01 1.246236465e+01 6.338910404e+00 6.643618103e+00 1.092072350e+01 3.974593716e+00 7.664702670e+00 1.60 1.145583110e+01 3.891026349e+00 9.262113317e+00 1.146846755e+01 1.147920799e+01 5.603153810e+00 5.839672982e+00 9.963864244e+00 3.340584660e+00 6.854538191e+00 1.62 1.050143350e+01 3.184440749e+00 8.360879160e+00 1.050769204e+01 1.051432714e+01 4.905093574e+00 5.074670134e+00 9.037896233e+00 2.740824169e+00 6.082731051e+00 1.64 9.572176070e+00 2.517469276e+00 7.496317270e+00 9.571877588e+00 9.574413163e+00 4.244654941e+00 4.351319339e+00 8.142532646e+00 2.177616242e+00 5.348187499e+00 1.66 8.668666619e+00 1.895209070e+00 6.666241361e+00 8.665015864e+00 8.664446655e+00 3.620267404e+00 3.669592796e+00 7.280088544e+00 1.649784827e+00 4.648673978e+00 1.68 7.801850136e+00 1.316188785e+00 5.868713197e+00 7.791762251e+00 7.787715590e+00 3.030159212e+00 3.027543871e+00 6.454445737e+00 1.155810897e+00 3.981720265e+00 1.70 6.972201044e+00 7.767141873e-01 5.107642543e+00 6.955943447e+00 6.949291414e+00 2.472780994e+00 2.423022766e+00 5.664844452e+00 6.939726924e-01 3.344470327e+00 1.72 6.177822800e+00 2.730772573e-01 4.386486474e+00 6.157579121e+00 6.149400955e+00 1.948920433e+00 1.853480600e+00 4.909750388e+00 2.632269935e-01 2.735773780e+00 1.74 5.416197485e+00 -1.986293162e-01 3.702711672e+00 5.394903161e+00 5.386380982e+00 1.456382595e+00 1.319576734e+00 4.189730879e+00 -1.362356990e-01 2.164309591e+00 1.76 4.684144131e+00 -6.390428582e-01 3.053746438e+00 4.668060150e+00 4.660516385e+00 9.932750035e-01 8.205876878e-01 3.504682729e+00 -5.055435175e-01 1.628124898e+00 1.78 3.978825052e+00 -1.044605553e+00 2.441880691e+00 3.974719297e+00 3.969571421e+00 5.628104983e-01 3.542514489e-01 2.853727187e+00 -8.475961807e-01 1.124931093e+00 1.80 3.311818486e+00 -1.415801587e+00 1.864725976e+00 3.318143435e+00 3.315688627e+00 1.634169350e-01 -8.051239437e-02 2.242208151e+00 -1.164156480e+00 6.572778931e-01 1.82 2.684266521e+00 -1.755493664e+00 1.318943904e+00 2.697072024e+00 2.697344557e+00 -2.070597690e-01 -4.841993255e-01 1.668324170e+00 -1.455046895e+00 2.240451516e-01 1.84 2.093066933e+00 -2.066722783e+00 8.009348468e-01 2.109744124e+00 2.112857714e+00 -5.507762427e-01 -8.593329429e-01 1.129814957e+00 -1.721528810e+00 -1.773039503e-01 1.86 1.536787021e+00 -2.352038474e+00 3.087236612e-01 1.555626380e+00 1.561359603e+00 -8.699459275e-01 -1.207165206e+00 6.269725859e-01 -1.965613852e+00 -5.488007958e-01 1.88 1.017319035e+00 -2.612878223e+00 -1.547101895e-01 1.034124675e+00 1.041147214e+00 -1.166414606e+00 -1.525763211e+00 1.568396272e-01 -2.189059671e+00 -8.914277784e-01 1.90 5.318731068e-01 -2.851527882e+00 -5.831386128e-01 5.457724121e-01 5.539115601e-01 -1.437385117e+00 -1.814934202e+00 -2.817288316e-01 -2.391609087e+00 -1.207842745e+00 1.92 7.768722166e-02 -3.067590389e+00 -9.775283189e-01 8.908739570e-02 9.837569801e-02 -1.683843263e+00 -2.077303434e+00 -6.889206439e-01 -2.573543219e+00 -1.500740682e+00 1.94 -3.471200308e-01 -3.260021420e+00 -1.340452416e+00 -3.374750527e-01 -3.271306797e-01 -1.907412450e+00 -2.315183349e+00 -1.065850010e+00 -2.736995102e+00 -1.771939832e+00 1.96 -7.406440125e-01 -3.429997905e+00 -1.674284897e+00 -7.338363329e-01 -7.231231193e-01 -2.109524550e+00 -2.530895413e+00 -1.413617443e+00 -2.883872963e+00 -2.019403637e+00 1.98 -1.105355431e+00 -3.579577776e+00 -1.979709265e+00 -1.102331586e+00 -1.092003538e+00 -2.289890791e+00 -2.726776494e+00 -1.734752025e+00 -3.015470235e+00 -2.245568294e+00 2.00 -1.443763357e+00 -3.710740497e+00 -2.257744472e+00 -1.445050418e+00 -1.435946816e+00 -2.448539068e+00 -2.904892381e+00 -2.031791176e+00 -3.131826486e+00 -2.452802386e+00 2.02 -1.758359561e+00 -3.825420193e+00 -2.510621402e+00 -1.762355981e+00 -1.755423642e+00 -2.586799788e+00 -3.065902888e+00 -2.306147042e+00 -3.232966270e+00 -2.643425039e+00 2.04 -2.049783695e+00 -3.925522252e+00 -2.740397854e+00 -2.055683300e+00 -2.052000407e+00 -2.707499310e+00 -3.210899782e+00 -2.558323075e+00 -3.319663137e+00 -2.817868191e+00 2.06 -2.316866208e+00 -4.012937900e+00 -2.949117204e+00 -2.325597491e+00 -2.326358668e+00 -2.812044422e+00 -3.341949230e+00 -2.788351895e+00 -3.392010888e+00 -2.974703802e+00 2.08 -2.562168788e+00 -4.089430820e+00 -3.138818996e+00 -2.572867879e+00 -2.577753505e+00 -2.901525663e+00 -3.460361342e+00 -2.998369912e+00 -3.450955101e+00 -3.116243344e+00 2.10 -2.787845344e+00 -4.154078700e+00 -3.311551784e+00 -2.798650669e+00 -2.806426569e+00 -2.977035481e+00 -3.565087461e+00 -3.189081489e+00 -3.497383619e+00 -3.244300807e+00 2.12 -2.996075276e+00 -4.207100375e+00 -3.469388449e+00 -3.005078080e+00 -3.014562497e+00 -3.039643303e+00 -3.657476895e+00 -3.362496877e+00 -3.532254469e+00 -3.360668492e+00 2.14 -3.188498322e+00 -4.249112941e+00 -3.613927992e+00 -3.193855806e+00 -3.203857263e+00 -3.090142054e+00 -3.739177274e+00 -3.519519417e+00 -3.557837166e+00 -3.466650923e+00 2.16 -3.361422791e+00 -4.280302272e+00 -3.742025475e+00 -3.364008808e+00 -3.374200306e+00 -3.126929055e+00 -3.810682498e+00 -3.658627779e+00 -3.574515752e+00 -3.559039625e+00 2.18 -3.515741824e+00 -4.301661839e+00 -3.854640434e+00 -3.516844414e+00 -3.526985213e+00 -3.150394483e+00 -3.872186597e+00 -3.781469426e+00 -3.582359146e+00 -3.638453717e+00 2.20 -3.653123928e+00 -4.314300284e+00 -3.953422831e+00 -3.654053322e+00 -3.663846003e+00 -3.162576314e+00 -3.924761571e+00 -3.889540370e+00 -3.582121692e+00 -3.706087199e+00 2.22 -3.775018127e+00 -4.319245229e+00 -4.039838701e+00 -3.777151624e+00 -3.786265343e+00 -3.168165026e+00 -3.968168047e+00 -3.984270194e+00 -3.574191258e+00 -3.762899270e+00 2.24 -3.882837402e+00 -4.317491969e+00 -4.115340117e+00 -3.886114730e+00 -3.894178310e+00 -3.167850011e+00 -4.002969601e+00 -4.067062801e+00 -3.558182148e+00 -3.809776840e+00 2.26 -3.977957150e+00 -4.310007376e+00 -4.181337428e+00 -3.981694953e+00 -3.988293881e+00 -3.162597097e+00 -4.028764590e+00 -4.139299797e+00 -3.534538703e+00 -3.847536480e+00 2.28 -4.061273281e+00 -4.296845777e+00 -4.237407968e+00 -4.065095053e+00 -4.069992825e+00 -3.151557315e+00 -4.045075644e+00 -4.202050680e+00 -3.503600929e+00 -3.876040905e+00 2.30 -4.133421016e+00 -4.277573917e+00 -4.282143880e+00 -4.137245599e+00 -4.140499312e+00 -3.132941163e+00 -4.052640308e+00 -4.256223764e+00 -3.465667912e+00 -3.894620583e+00 2.32 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