# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Ko-W-S-Grabowski-B-Neugebauer-J--Ni-Ti # implementation = 2015--Ko-W-S--Ni-Ti--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 2.155287911e+02 nan nan nan nan 0.80 nan nan nan nan nan 2.016066832e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.885238667e+02 nan nan 2.148785754e+02 nan 0.84 nan nan nan nan nan 1.762317641e+02 nan nan 1.995246523e+02 nan 0.86 nan nan nan nan nan 1.646845230e+02 nan nan 1.851980236e+02 nan 0.88 nan nan nan nan nan 1.538388675e+02 nan nan 1.718321964e+02 nan 0.90 nan 3.207700400e+02 nan nan nan 1.436539567e+02 nan nan 1.593648875e+02 2.151654794e+02 0.92 nan 2.964974276e+02 nan nan nan 1.340912522e+02 2.537329019e+02 nan 1.477377617e+02 2.008566702e+02 0.94 nan 2.739376265e+02 nan nan nan 1.251143911e+02 2.354392941e+02 nan 1.368961856e+02 1.874269966e+02 0.96 nan 2.529745372e+02 nan nan nan 1.166890668e+02 2.183766546e+02 nan 1.267889967e+02 1.748248269e+02 0.98 nan 2.334996977e+02 3.259430717e+02 nan nan 1.087829161e+02 2.024650217e+02 nan 1.173682872e+02 1.630014629e+02 1.00 nan 2.154117935e+02 3.030998047e+02 nan 3.142894914e+02 1.013654117e+02 1.876295076e+02 2.930001257e+02 1.085892003e+02 1.519109771e+02 1.02 2.931939405e+02 1.986161986e+02 2.817497200e+02 2.932532927e+02 2.933126448e+02 9.440776131e+01 1.737999817e+02 2.729598548e+02 1.004097396e+02 1.415100597e+02 1.04 2.735185377e+02 1.830245448e+02 2.617990222e+02 2.735761751e+02 2.736338124e+02 8.788281188e+01 1.609107746e+02 2.541876800e+02 9.279058994e+01 1.317578734e+02 1.06 2.550642918e+02 1.685543188e+02 2.431596383e+02 2.551202603e+02 2.551762287e+02 8.176495856e+01 1.489003986e+02 2.366069531e+02 8.569494953e+01 1.226159163e+02 1.08 2.377588259e+02 1.551284838e+02 2.257488772e+02 2.378131701e+02 2.378675142e+02 7.603005928e+01 1.377112873e+02 2.201455012e+02 7.908837215e+01 1.140478921e+02 1.10 2.215339055e+02 1.426751261e+02 2.094891081e+02 2.215866689e+02 2.216394323e+02 7.065535347e+01 1.272895495e+02 2.047353724e+02 7.293861941e+01 1.060195873e+02 1.12 2.063252081e+02 1.311271227e+02 1.943074588e+02 2.063764332e+02 2.064276582e+02 6.561938527e+01 1.175847394e+02 1.903125966e+02 6.721552176e+01 9.849875506e+01 1.14 1.920721063e+02 1.204218315e+02 1.801355312e+02 1.921218343e+02 1.921715623e+02 6.090193107e+01 1.085496406e+02 1.768169589e+02 6.189084861e+01 9.145500580e+01 1.16 1.787174610e+02 1.105007994e+02 1.669091330e+02 1.787657323e+02 1.788140035e+02 5.648393071e+01 1.001400632e+02 1.641917856e+02 5.693818592e+01 8.485970293e+01 1.18 1.662074272e+02 1.013094902e+02 1.545680258e+02 1.662542809e+02 1.663011347e+02 5.234742258e+01 9.231465390e+01 1.523837425e+02 5.233282183e+01 7.868586493e+01 1.20 1.544912697e+02 9.279702941e+01 1.430556878e+02 1.545367442e+02 1.545822187e+02 4.847548232e+01 8.503471742e+01 1.413426434e+02 4.805163915e+01 7.290807269e+01 1.22 1.435211889e+02 8.491596509e+01 1.323190901e+02 1.435653214e+02 1.436094538e+02 4.485216457e+01 7.826404927e+01 1.310212709e+02 4.407301458e+01 6.750238152e+01 1.24 1.332521562e+02 7.762204418e+01 1.223084866e+02 1.332949830e+02 1.333378097e+02 4.146244823e+01 7.196877869e+01 1.213752053e+02 4.037672418e+01 6.244623844e+01 1.26 1.236417584e+02 7.087400290e+01 1.129772163e+02 1.236833148e+02 1.237248711e+02 3.829218448e+01 6.611722140e+01 1.123626646e+02 3.694385482e+01 5.771840376e+01 1.28 1.146500504e+02 6.463337076e+01 1.042815164e+02 1.146903708e+02 1.147306912e+02 3.532804771e+01 6.067974147e+01 1.039443524e+02 3.375672093e+01 5.329887689e+01 1.30 1.062394161e+02 5.886428688e+01 9.618034762e+01 1.062785342e+02 1.063176522e+02 3.255748919e+01 5.562862177e+01 9.608331485e+01 3.079878667e+01 4.916882650e+01 1.32 9.837443726e+01 5.353332830e+01 8.863522919e+01 9.841238570e+01 9.845033413e+01 2.996869317e+01 5.093794253e+01 8.874480564e+01 2.805459281e+01 4.531052424e+01 1.34 9.102176877e+01 4.860934905e+01 8.161008352e+01 9.105857943e+01 9.109539008e+01 2.755053545e+01 4.658346726e+01 8.189615806e+01 2.550968821e+01 4.170728220e+01 1.36 8.415002161e+01 4.406332989e+01 7.507109049e+01 8.418572552e+01 8.422142943e+01 2.529254430e+01 4.254253608e+01 7.550666481e+01 2.315056561e+01 3.834339398e+01 1.38 7.772965158e+01 3.986823739e+01 6.898654996e+01 7.776427899e+01 7.779890639e+01 2.318486332e+01 3.879396542e+01 6.954746428e+01 2.096460141e+01 3.520407871e+01 1.40 7.173285462e+01 3.599889233e+01 6.332675271e+01 7.176643497e+01 7.180001533e+01 2.121821660e+01 3.531795411e+01 6.399143332e+01 1.893999921e+01 3.227542840e+01 1.42 6.613346777e+01 3.243184649e+01 5.806385903e+01 6.616602977e+01 6.619859177e+01 1.938387565e+01 3.209599535e+01 5.881308603e+01 1.706573694e+01 2.954435819e+01 1.44 6.090687543e+01 2.914526743e+01 5.317178439e+01 6.093844702e+01 6.097001862e+01 1.767362812e+01 2.911079412e+01 5.398847827e+01 1.533151722e+01 2.699855917e+01 1.46 5.602992109e+01 2.611883075e+01 4.862609208e+01 5.606052951e+01 5.609113792e+01 1.607974843e+01 2.634618977e+01 4.949511762e+01 1.372772096e+01 2.462645405e+01 1.48 5.148082383e+01 2.333361931e+01 4.440389223e+01 5.151049558e+01 5.154016734e+01 1.459496985e+01 2.378708355e+01 4.531187843e+01 1.224536378e+01 2.241715520e+01 1.50 4.723909929e+01 2.077202902e+01 4.048374673e+01 4.726786022e+01 4.729662114e+01 1.321245821e+01 2.141937050e+01 4.141892161e+01 1.087605518e+01 2.036042489e+01 1.52 4.328548542e+01 1.841768076e+01 3.684558008e+01 4.331336067e+01 4.334123593e+01 1.192578709e+01 1.922987582e+01 3.779761913e+01 9.611960342e+00 1.844663808e+01 1.54 3.960187199e+01 1.625533805e+01 3.347059538e+01 3.962888608e+01 3.965590016e+01 1.072891435e+01 1.720629511e+01 3.443048268e+01 8.445764301e+00 1.666674691e+01 1.56 3.617123419e+01 1.427083006e+01 3.034119542e+01 3.619741097e+01 3.622358776e+01 9.616159947e+00 1.533713837e+01 3.130109651e+01 7.370638369e+00 1.501224742e+01 1.58 3.297757005e+01 1.245097972e+01 2.744090862e+01 3.300293278e+01 3.302829550e+01 8.582185092e+00 1.361167766e+01 2.839405404e+01 6.380208722e+00 1.347514812e+01 1.60 3.000584112e+01 1.078353649e+01 2.475431924e+01 3.003041243e+01 3.005498373e+01 7.621972458e+00 1.201989784e+01 2.569489809e+01 5.468526934e+00 1.204794016e+01 1.62 2.724191665e+01 9.257113531e+00 2.226700191e+01 2.726571858e+01 2.728952051e+01 6.730807565e+00 1.055245062e+01 2.319006461e+01 4.630042395e+00 1.072356937e+01 1.64 2.467252091e+01 7.861129112e+00 1.996546018e+01 2.469557493e+01 2.471862895e+01 5.904261210e+00 9.200611430e+00 2.086682960e+01 3.859576503e+00 9.495409764e+00 1.66 2.228518333e+01 6.585751728e+00 1.783706859e+01 2.230751035e+01 2.232983737e+01 5.138172832e+00 7.956238992e+00 1.871325903e+01 3.152298441e+00 8.357238548e+00 1.68 2.006819160e+01 5.421848960e+00 1.587001842e+01 2.008981197e+01 2.011143235e+01 4.428634877e+00 6.811737502e+00 1.671816174e+01 2.503702552e+00 7.303212577e+00 1.70 1.801054735e+01 4.360939657e+00 1.405326668e+01 1.803148090e+01 1.805241446e+01 3.771978018e+00 5.760021201e+00 1.487104500e+01 1.909587121e+00 6.327846120e+00 1.72 1.610192430e+01 3.395149310e+00 1.237648811e+01 1.612219034e+01 1.614245638e+01 3.164757184e+00 4.794481166e+00 1.316207266e+01 1.366034507e+00 5.425989858e+00 1.74 1.433262890e+01 2.517168374e+00 1.083003027e+01 1.435224621e+01 1.437186353e+01 2.603738440e+00 3.908954255e+00 1.158202574e+01 8.693925753e-01 4.592811141e+00 1.76 1.269356304e+01 1.720213378e+00 9.404871223e+00 1.271254994e+01 1.273153684e+01 2.085886555e+00 3.097694000e+00 1.012226525e+01 4.162572772e-01 3.823775303e+00 1.78 1.117618902e+01 9.979906042e-01 8.092579816e+00 1.119456331e+01 1.121293761e+01 1.608353297e+00 2.355343347e+00 8.774697201e+00 3.456367012e-03 3.114628060e+00 1.80 9.772496424e+00 3.446622229e-01 6.885278492e+00 9.790275466e+00 9.808054508e+00 1.168466415e+00 1.676909181e+00 7.531739739e+00 -3.719658325e-01 2.461378948e+00 1.82 8.474970943e+00 -2.451853413e-01 5.775608244e+00 8.492171622e+00 8.509372300e+00 7.637192056e-01 1.057738419e+00 6.386292036e+00 -7.127627076e-01 1.860285644e+00 1.84 7.276564918e+00 -7.765708960e-01 4.756695801e+00 7.293203675e+00 7.309842433e+00 3.917607101e-01 4.934956801e-01 5.331705110e+00 -1.021498703e+00 1.307839231e+00 1.86 6.170669650e+00 -1.254145997e+00 3.822122825e+00 6.186762494e+00 6.202855338e+00 5.038646833e-02 -1.985763279e-02 4.361754351e+00 -1.300561796e+00 8.007503058e-01 1.88 5.151089194e+00 -1.682220617e+00 2.965896947e+00 5.166651708e+00 5.182214222e+00 -2.624702221e-01 -4.860829186e-01 3.470613604e+00 -1.552175210e+00 3.359358484e-01 1.90 4.212015755e+00 -2.064787072e+00 2.182424652e+00 4.227063109e+00 4.242110462e+00 -5.487465128e-01 -9.086826847e-01 2.652830824e+00 -1.778408320e+00 -8.949310740e-02 1.92 3.348006458e+00 -2.405542341e+00 1.466485808e+00 3.362553418e+00 3.377100378e+00 -8.102577557e-01 -1.290917687e+00 1.903305139e+00 -1.981186893e+00 -4.782431155e-01 1.94 2.553961424e+00 -2.707908863e+00 8.132097519e-01 2.568022364e+00 2.582083305e+00 -1.048704816e+00 -1.635822974e+00 1.217265282e+00 -2.162302651e+00 -8.328493000e-01 1.96 1.825103194e+00 -2.975053935e+00 2.180529087e-01 1.838692105e+00 1.852281017e+00 -1.265680937e+00 -1.946222875e+00 5.902492984e-01 -2.323422212e+00 -1.155685663e+00 1.98 1.156957269e+00 -3.209907776e+00 -3.232222552e-01 1.170087770e+00 1.183218271e+00 -1.462678232e+00 -2.224745036e+00 1.808543880e-02 -2.466095453e+00 -1.448974832e+00 2.00 5.453338034e-01 -3.415180372e+00 -8.145669511e-01 5.580191472e-01 5.707044910e-01 -1.641093795e+00 -2.473833550e+00 -5.031258046e-01 -2.591763340e+00 -1.714797231e+00 2.02 -1.368960504e-02 -3.593377157e+00 -1.259664533e+00 -1.436518451e-03 1.081656814e-02 -1.802235439e+00 -2.695761212e+00 -9.770285710e-01 -2.701765227e+00 -1.955099692e+00 2.04 -5.237841829e-01 -3.746813636e+00 -1.661947858e+00 -5.119507991e-01 -5.001174153e-01 -1.947327125e+00 -2.892641014e+00 -1.407027533e+00 -2.797345702e+00 -2.171703609e+00 2.06 -9.883852575e-01 -3.877628985e+00 -2.024615526e+00 -9.769593586e-01 -9.655334598e-01 -2.077514062e+00 -3.066436866e+00 -1.796302831e+00 -2.879660971e+00 -2.366312583e+00 2.08 -1.410706636e+00 -3.987798732e+00 -2.350647107e+00 -1.399676332e+00 -1.388646028e+00 -2.193867499e+00 -3.218973624e+00 -2.147824111e+00 -2.949784827e+00 -2.540519617e+00 2.10 -1.793754186e+00 -4.079146550e+00 -2.642817438e+00 -1.783107907e+00 -1.772461627e+00 -2.297389264e+00 -3.351946477e+00 -2.464363725e+00 -3.008714240e+00 -2.695813920e+00 2.12 -2.140338567e+00 -4.153355242e+00 -2.903709991e+00 -2.130065053e+00 -2.119791540e+00 -2.389016007e+00 -3.466929702e+00 -2.748509133e+00 -3.057374559e+00 -2.833587276e+00 2.14 -2.453087240e+00 -4.211976965e+00 -3.135729406e+00 -2.443175537e+00 -2.433263833e+00 -2.469623209e+00 -3.565384859e+00 -3.002674564e+00 -3.096624392e+00 -2.955140054e+00 2.16 -2.734455779e+00 -4.256442735e+00 -3.341113255e+00 -2.724895226e+00 -2.715334672e+00 -2.540028958e+00 -3.648668450e+00 -3.229111976e+00 -3.127260155e+00 -3.061686868e+00 2.18 -2.986738478e+00 -4.288071280e+00 -3.521943027e+00 -2.977518702e+00 -2.968298927e+00 -2.600997488e+00 -3.718039060e+00 -3.429921330e+00 -3.150020322e+00 -3.154361887e+00 2.20 -3.212078363e+00 -4.308077265e+00 -3.680154446e+00 -3.203189274e+00 -3.194300186e+00 -2.653242522e+00 -3.774664048e+00 -3.607060265e+00 -3.165589395e+00 -3.234223841e+00 2.22 -3.412476606e+00 -4.317578951e+00 -3.817547123e+00 -3.403908386e+00 -3.395340166e+00 -2.697430411e+00 -3.819625785e+00 -3.762353180e+00 -3.174601617e+00 -3.302260731e+00 2.24 -3.589801348e+00 -4.317605307e+00 -3.935793584e+00 -3.581544445e+00 -3.573287543e+00 -2.734183080e+00 -3.853927479e+00 -3.897499749e+00 -3.177644423e+00 -3.359394243e+00 2.26 -3.745796042e+00 -4.309102624e+00 -4.036447741e+00 -3.737841165e+00 -3.729886289e+00 -2.764080815e+00 -3.878498625e+00 -4.014082930e+00 -3.175261684e+00 -3.406483920e+00 2.28 -3.882087264e+00 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