# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Kim-Y-M-Lee-B-J--Cu-Zr # implementation = 2008--Kim-Y-M--Cu-Zr--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 nan nan 0.78 nan nan nan nan nan 1.901881683e+02 nan nan nan nan 0.80 nan nan nan nan nan 1.777473560e+02 nan nan nan nan 0.82 nan nan nan nan nan 1.660593545e+02 nan nan 1.963625143e+02 nan 0.84 nan nan nan nan nan 1.550807008e+02 nan nan 1.822491148e+02 nan 0.86 nan nan nan nan nan 1.447703550e+02 nan nan 1.690843892e+02 nan 0.88 nan nan nan nan nan 1.350895691e+02 nan nan 1.568065385e+02 nan 0.90 nan 3.055318995e+02 nan nan nan 1.260017626e+02 nan nan 1.453577254e+02 1.958166620e+02 0.92 nan 2.830210724e+02 nan nan nan 1.174724049e+02 1.996633416e+02 nan 1.346838217e+02 1.828054489e+02 0.94 nan 2.620719038e+02 nan nan nan 1.094689037e+02 1.856797483e+02 nan 1.247341724e+02 1.705898881e+02 0.96 nan 2.425795610e+02 nan nan nan 1.019604992e+02 1.726061880e+02 nan 1.154613741e+02 1.591236333e+02 0.98 nan 2.244460970e+02 2.689492017e+02 nan nan 9.491816428e+01 1.603855606e+02 nan 1.068210686e+02 1.483629431e+02 1.00 nan 2.075800054e+02 2.506670825e+02 nan 3.002979200e+02 8.831450975e+01 1.489642743e+02 2.808479771e+02 9.877174805e+01 1.382665392e+02 1.02 2.806195319e+02 1.918958025e+02 2.335446144e+02 2.806369905e+02 2.806544492e+02 8.212369480e+01 1.382920325e+02 2.620187764e+02 9.127457428e+01 1.287954714e+02 1.04 2.621744094e+02 1.773136373e+02 2.175111191e+02 2.621916325e+02 2.622088556e+02 7.632134208e+01 1.283216338e+02 2.443648538e+02 8.429320834e+01 1.199129903e+02 1.06 2.448572106e+02 1.637589263e+02 2.025001014e+02 2.448741999e+02 2.448911892e+02 7.088445728e+01 1.190087835e+02 2.278159493e+02 7.779365143e+01 1.115844267e+02 1.08 2.286019356e+02 1.511620115e+02 1.884490083e+02 2.286186928e+02 2.286354501e+02 6.579135327e+01 1.103119173e+02 2.123058683e+02 7.174409588e+01 1.037770771e+02 1.10 2.133463175e+02 1.394578404e+02 1.752990000e+02 2.133628445e+02 2.133793714e+02 6.102157805e+01 1.021920347e+02 1.977722519e+02 6.611478555e+01 9.646009622e+01 1.12 1.990316175e+02 1.285856671e+02 1.629947355e+02 1.990479158e+02 1.990642141e+02 5.655584657e+01 9.461254382e+01 1.841563615e+02 6.087788502e+01 8.960439384e+01 1.14 1.856024305e+02 1.184887723e+02 1.514841695e+02 1.856185019e+02 1.856345733e+02 5.237597642e+01 8.753911412e+01 1.714028738e+02 5.600735734e+01 8.318253872e+01 1.16 1.730065018e+02 1.091142006e+02 1.407183606e+02 1.730223480e+02 1.730381942e+02 4.846482677e+01 8.093953905e+01 1.594596879e+02 5.147884919e+01 7.716866654e+01 1.18 1.611945526e+02 1.004125162e+02 1.306512912e+02 1.612101753e+02 1.612257980e+02 4.480624059e+01 7.478360661e+01 1.482777431e+02 4.726958366e+01 7.153839334e+01 1.20 1.501201162e+02 9.233757296e+01 1.212396972e+02 1.501355171e+02 1.501509179e+02 4.138499025e+01 6.904297786e+01 1.378108462e+02 4.335825959e+01 6.626873354e+01 1.22 1.397393817e+02 8.484630002e+01 1.124429071e+02 1.397545623e+02 1.397697430e+02 3.818672563e+01 6.369107262e+01 1.280155087e+02 3.972495742e+01 6.133802221e+01 1.24 1.300110469e+02 7.789850083e+01 1.042226912e+02 1.300260091e+02 1.300409712e+02 3.519792544e+01 5.870296229e+01 1.188507931e+02 3.635105095e+01 5.672584172e+01 1.26 1.208961795e+02 7.145666539e+01 9.654311822e+01 1.209109248e+02 1.209256701e+02 3.240585093e+01 5.405526902e+01 1.102781679e+02 3.321912478e+01 5.241295236e+01 1.28 1.123580845e+02 6.548579447e+01 8.937042122e+01 1.123726145e+02 1.123871446e+02 2.979850215e+01 4.972607096e+01 1.022613698e+02 3.031289683e+01 4.838122645e+01 1.30 1.043621801e+02 5.995323510e+01 8.267287049e+01 1.043764965e+02 1.043908129e+02 2.736457667e+01 4.569481335e+01 9.476627462e+01 2.761714598e+01 4.461358644e+01 1.32 9.687587959e+01 5.482852688e+01 7.642065399e+01 9.688998401e+01 9.690408844e+01 2.509343046e+01 4.194222490e+01 8.776077469e+01 2.511764407e+01 4.109394601e+01 1.34 8.986847991e+01 5.008325793e+01 7.058576455e+01 8.988237394e+01 8.989626797e+01 2.297504086e+01 3.845023921e+01 8.121466343e+01 2.280109239e+01 3.780715451e+01 1.36 8.331105627e+01 4.569093043e+01 6.514189375e+01 8.332474150e+01 8.333842673e+01 2.099997176e+01 3.520192108e+01 7.509952618e+01 2.065506215e+01 3.473894455e+01 1.38 7.717636229e+01 4.162683461e+01 6.006433165e+01 7.718984031e+01 7.720331833e+01 1.915934042e+01 3.218139709e+01 6.938863725e+01 1.866793865e+01 3.187588214e+01 1.40 7.143873585e+01 3.786793103e+01 5.532987238e+01 7.145200823e+01 7.146528061e+01 1.744478628e+01 2.937379051e+01 6.405686267e+01 1.682886906e+01 2.920531986e+01 1.42 6.607401004e+01 3.439274046e+01 5.091672533e+01 6.608707834e+01 6.610014665e+01 1.584844146e+01 2.676516019e+01 5.908056844e+01 1.512771355e+01 2.671535246e+01 1.44 6.105942871e+01 3.118124081e+01 4.680443120e+01 6.107229449e+01 6.108516027e+01 1.436290279e+01 2.434244296e+01 5.443753381e+01 1.355499942e+01 2.439477481e+01 1.46 5.637356700e+01 2.821477087e+01 4.297378311e+01 5.638623181e+01 5.639889662e+01 1.298120545e+01 2.209339972e+01 5.010686960e+01 1.210187818e+01 2.223304231e+01 1.48 5.199625608e+01 2.547594017e+01 3.940675221e+01 5.200872145e+01 5.202118682e+01 1.169679808e+01 2.000656472e+01 4.606894102e+01 1.076008544e+01 2.022023342e+01 1.50 4.790851184e+01 2.294854478e+01 3.608641751e+01 4.792077929e+01 4.793304675e+01 1.050351914e+01 1.807119784e+01 4.230529479e+01 9.521903181e+00 1.834701416e+01 1.52 4.409246786e+01 2.061748854e+01 3.299689996e+01 4.410453892e+01 4.411660998e+01 9.395574742e+00 1.627723994e+01 3.879859051e+01 8.380124596e+00 1.660460473e+01 1.54 4.053131181e+01 1.846870940e+01 3.012330023e+01 4.054318798e+01 4.055506414e+01 8.367517559e+00 1.461527075e+01 3.553253577e+01 7.328021037e+00 1.498474781e+01 1.56 3.720922536e+01 1.648911059e+01 2.745164009e+01 3.722090813e+01 3.723259090e+01 7.414226967e+00 1.307646938e+01 3.249182502e+01 6.359311126e+00 1.347967871e+01 1.58 3.411132759e+01 1.466649630e+01 2.496880736e+01 3.412281846e+01 3.413430932e+01 6.530890315e+00 1.165257729e+01 2.966208190e+01 5.468131828e+00 1.208209719e+01 1.60 3.122362137e+01 1.298951144e+01 2.266250387e+01 3.123492180e+01 3.124622224e+01 5.712985165e+00 1.033586339e+01 2.702980472e+01 4.649011343e+00 1.078514073e+01 1.62 2.853294271e+01 1.144758547e+01 2.052119658e+01 2.854405418e+01 2.855516565e+01 4.956262564e+00 9.119091371e+00 2.458231526e+01 3.896843735e+00 9.582359386e+00 1.64 2.602691308e+01 1.003087985e+01 1.853407160e+01 2.603783705e+01 2.604876103e+01 4.256731261e+00 7.995488975e+00 2.230771029e+01 3.206865199e+00 8.467692045e+00 1.66 2.369389416e+01 8.730238869e+00 1.669099074e+01 2.370463209e+01 2.371537001e+01 3.610642747e+00 6.958719115e+00 2.019481593e+01 2.574631794e+00 7.435443901e+00 1.68 2.152294529e+01 7.537143795e+00 1.498245080e+01 2.153349861e+01 2.154405192e+01 3.014477190e+00 6.002852814e+00 1.823314462e+01 1.995998647e+00 6.480265309e+00 1.70 1.950378321e+01 6.443669974e+00 1.339954508e+01 1.951415335e+01 1.952452349e+01 2.464930135e+00 5.122343754e+00 1.641285455e+01 1.467100457e+00 5.597131762e+00 1.72 1.762674401e+01 5.442446763e+00 1.193392726e+01 1.763693239e+01 1.764712077e+01 1.958899925e+00 4.312004372e+00 1.472471139e+01 9.843332390e-01 4.781324965e+00 1.74 1.588274732e+01 4.526620095e+00 1.057777741e+01 1.589275536e+01 1.590276341e+01 1.493475885e+00 3.566983458e+00 1.316005224e+01 5.443372691e-01 4.028415047e+00 1.76 1.426326243e+01 3.689817513e+00 9.323769939e+00 1.427309154e+01 1.428292065e+01 1.065927114e+00 2.882745082e+00 1.171075163e+01 1.439810822e-01 3.334243696e+00 1.78 1.276027630e+01 2.926115500e+00 8.165043460e+00 1.276992787e+01 1.277957944e+01 6.736919348e-01 2.255048816e+00 1.036918951e+01 -2.196534855e-01 2.694908276e+00 1.80 1.136626344e+01 2.230008987e+00 7.095172500e+00 1.137573886e+01 1.138521427e+01 3.143679566e-01 1.679931204e+00 9.128221064e+00 -5.492852880e-01 2.106746859e+00 1.82 1.007415739e+01 1.596382853e+00 6.108140792e+00 1.008345803e+01 1.009275867e+01 -1.429734035e-02 1.153688313e+00 7.981148234e+00 -8.474469825e-01 1.566324059e+00 1.84 8.877323890e+00 1.020485326e+00 5.198316213e+00 8.886451128e+00 8.895578366e+00 -3.144154559e-01 6.728593963e-01 6.921692962e+00 -1.116497290e+00 1.070417698e+00 1.86 7.769535565e+00 4.979031523e-01 4.360427214e+00 7.778490760e+00 7.787445955e+00 -5.879652192e-01 2.342115513e-01 5.943971947e+00 -1.358632455e+00 6.160062299e-01 1.88 6.744947957e+00 2.453839875e-02 3.589540599e+00 6.753732460e+00 6.762516964e+00 -8.368006863e-01 -1.652746976e-01 5.042472849e+00 -1.575897002e+00 2.002568511e-01 1.90 5.798077014e+00 -4.034131828e-01 2.881040696e+00 5.806692171e+00 5.815307327e+00 -1.062658559e+00 -5.284189038e-01 4.212031907e+00 -1.770193755e+00 -1.794856799e-01 1.92 4.923777824e+00 -7.894823641e-01 2.230609734e+00 4.932224968e+00 4.940672113e+00 -1.267165195e+00 -8.578533827e-01 3.447812847e+00 -1.943293247e+00 -5.257096004e-01 1.94 4.117224519e+00 -1.136945292e+00 1.634209386e+00 4.125504977e+00 4.133785436e+00 -1.451843222e+00 -1.156035121e+00 2.745287022e+00 -2.096842507e+00 -8.407461114e-01 1.96 3.373891404e+00 -1.448841084e+00 1.088063463e+00 3.382006495e+00 3.390121586e+00 -1.618117751e+00 -1.425256931e+00 2.100214729e+00 -2.232373272e+00 -1.126778742e+00 1.98 2.689535099e+00 -1.727988240e+00 5.886415951e-01 2.697486132e+00 2.705437166e+00 -1.767322254e+00 -1.667657929e+00 1.508627589e+00 -2.351309681e+00 -1.385852206e+00 2.00 2.060177718e+00 -1.976999963e+00 1.326439177e-01 2.067965995e+00 2.075754272e+00 -1.900704100e+00 -1.885233367e+00 9.668119838e-01 -2.454975469e+00 -1.619880744e+00 2.02 1.482091050e+00 -2.198298438e+00 -2.830133025e-01 1.489717864e+00 1.497344678e+00 -2.019429752e+00 -2.079843839e+00 4.712934778e-01 -2.544600678e+00 -1.830655967e+00 2.04 9.517815932e-01 -2.394128161e+00 -6.612112126e-01 9.592482288e-01 9.667148643e-01 -2.124589690e+00 -2.253223934e+00 1.882212789e-02 -2.621327956e+00 -2.019854270e+00 2.06 4.659764836e-01 -2.566568358e+00 -1.004641071e+00 4.732842174e-01 4.805919511e-01 -2.217203031e+00 -2.406990340e+00 -3.936413219e-01 -2.686218427e+00 -2.189043808e+00 2.08 2.161024597e-02 -2.717544574e+00 -1.315816179e+00 2.876034642e-02 3.591044688e-02 -2.298221884e+00 -2.542649443e+00 -7.689384264e-01 -2.740257186e+00 -2.339691059e+00 2.10 -3.841877309e-01 -2.848839477e+00 -1.597083105e+00 -3.771940034e-01 -3.702002759e-01 -2.368535459e+00 -2.661604461e+00 -1.109725264e+00 -2.784358439e+00 -2.473167026e+00 2.12 -7.541049494e-01 -2.962102918e+00 -1.850632208e+00 -7.472663426e-01 -7.404277357e-01 -2.428973926e+00 -2.765162120e+00 -1.418483927e+00 -2.819370301e+00 -2.590753056e+00 2.14 -1.090656897e+00 -3.058861322e+00 -2.078507526e+00 -1.083972167e+00 -1.077287436e+00 -2.480312050e+00 -2.854538925e+00 -1.697533337e+00 -2.846079280e+00 -2.693646331e+00 2.16 -1.396197507e+00 -3.140526428e+00 -2.282616073e+00 -1.389665417e+00 -1.383133326e+00 -2.523272622e+00 -2.930867028e+00 -1.949039411e+00 -2.865214474e+00 -2.782965047e+00 2.18 -1.672928973e+00 -3.208403442e+00 -2.464736541e+00 -1.666548295e+00 -1.660167616e+00 -2.558529676e+00 -2.995199734e+00 -2.175024613e+00 -2.877451485e+00 -2.859753263e+00 2.20 -1.922911028e+00 -3.263698620e+00 -2.626527498e+00 -1.916680541e+00 -1.910450053e+00 -2.586711522e+00 -3.048516657e+00 -2.377376941e+00 -2.883416079e+00 -2.924985495e+00 2.22 -2.148069664e+00 -3.307526348e+00 -2.769535068e+00 -2.141988155e+00 -2.135906646e+00 -2.608403607e+00 -3.091728557e+00 -2.557858380e+00 -2.883687605e+00 -2.979571022e+00 2.24 -2.350205328e+00 -3.340915717e+00 -2.895200135e+00 -2.344271593e+00 -2.338337857e+00 -2.624151187e+00 -3.125681863e+00 -2.718112831e+00 -2.878802188e+00 -3.024357937e+00 2.26 -2.531000664e+00 -3.364816661e+00 -3.004865113e+00 -2.525213504e+00 -2.519426345e+00 -2.634461865e+00 -3.151162921e+00 -2.859673572e+00 -2.869255712e+00 -3.060136972e+00 2.28 -2.692027775e+00 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