# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Wang-J-Oh-S-H-Lee-B-J--Cu-Co # implementation = 2020--Wang-J--Cu-Co--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 3.025800821e+02 nan nan nan nan 0.66 nan nan nan nan nan 2.834179317e+02 nan nan 3.523767732e+02 nan 0.68 nan nan nan nan nan 2.653933551e+02 nan nan 3.278757338e+02 nan 0.70 nan nan nan nan nan 2.484415824e+02 nan nan 3.049969356e+02 nan 0.72 nan nan nan nan nan 2.325014149e+02 nan nan 2.836354633e+02 nan 0.74 nan 5.571000987e+02 nan nan nan 2.175150333e+02 3.779440754e+02 nan 2.636931127e+02 3.350982053e+02 0.76 nan 5.173222153e+02 nan nan nan 2.034278164e+02 3.524970079e+02 nan 2.450779631e+02 3.136870186e+02 0.78 nan 4.802572143e+02 nan nan nan 1.901881683e+02 3.286744703e+02 nan 2.277039755e+02 2.935559512e+02 0.80 nan 4.457249634e+02 4.997631432e+02 nan nan 1.777473560e+02 3.063756106e+02 nan 2.114906181e+02 2.746316405e+02 0.82 5.447688490e+02 4.135570837e+02 4.670334666e+02 5.447887619e+02 5.448086749e+02 1.660593545e+02 2.855057407e+02 5.171406822e+02 1.963625143e+02 2.568447939e+02 0.84 5.104212586e+02 3.835961906e+02 4.363355964e+02 5.104409179e+02 5.104605772e+02 1.550807008e+02 2.659759619e+02 4.837697377e+02 1.822491148e+02 2.401299691e+02 0.86 4.781212233e+02 3.556951833e+02 4.075476257e+02 4.781406308e+02 4.781600382e+02 1.447703550e+02 2.477028141e+02 4.524343359e+02 1.690843892e+02 2.244253659e+02 0.88 4.477512320e+02 3.297165807e+02 3.805547724e+02 4.477703895e+02 4.477895470e+02 1.350895691e+02 2.306079456e+02 4.230148638e+02 1.568065385e+02 2.096726292e+02 0.90 4.192003138e+02 3.055318995e+02 3.552489724e+02 4.192192231e+02 4.192381325e+02 1.260017626e+02 2.146178034e+02 3.953985334e+02 1.453577254e+02 1.958166621e+02 0.92 3.923636833e+02 2.830210724e+02 3.315284948e+02 3.923823464e+02 3.924010095e+02 1.174724049e+02 1.996633416e+02 3.694790011e+02 1.346838217e+02 1.828054489e+02 0.94 3.671424055e+02 2.620719038e+02 3.092975786e+02 3.671608241e+02 3.671792427e+02 1.094689037e+02 1.856797483e+02 3.451560091e+02 1.247341724e+02 1.705898881e+02 0.96 3.434430773e+02 2.425795610e+02 2.884660906e+02 3.434612532e+02 3.434794291e+02 1.019604992e+02 1.726061880e+02 3.223350455e+02 1.154613742e+02 1.591236333e+02 0.98 3.211775267e+02 2.244460971e+02 2.689492018e+02 3.211954618e+02 3.212133968e+02 9.491816428e+01 1.603855606e+02 3.009270233e+02 1.068210686e+02 1.483629431e+02 1.00 3.002625281e+02 2.075800054e+02 2.506670825e+02 3.002802241e+02 3.002979200e+02 8.831450976e+01 1.489642743e+02 2.808479772e+02 9.877174806e+01 1.382665392e+02 1.02 2.806195319e+02 1.918958025e+02 2.335446144e+02 2.806369906e+02 2.806544492e+02 8.212369482e+01 1.382920326e+02 2.620187764e+02 9.127457429e+01 1.287954714e+02 1.04 2.621744094e+02 1.773136373e+02 2.175111191e+02 2.621916325e+02 2.622088556e+02 7.632134208e+01 1.283216339e+02 2.443648537e+02 8.429320834e+01 1.199129903e+02 1.06 2.448572106e+02 1.637589264e+02 2.025001015e+02 2.448741999e+02 2.448911892e+02 7.088445728e+01 1.190087836e+02 2.278159493e+02 7.779365144e+01 1.115844267e+02 1.08 2.286019356e+02 1.511620115e+02 1.884490083e+02 2.286186929e+02 2.286354501e+02 6.579135328e+01 1.103119173e+02 2.123058683e+02 7.174409589e+01 1.037770772e+02 1.10 2.133463175e+02 1.394578404e+02 1.752990000e+02 2.133628444e+02 2.133793714e+02 6.102157805e+01 1.021920347e+02 1.977722519e+02 6.611478555e+01 9.646009622e+01 1.12 1.990316175e+02 1.285856672e+02 1.629947356e+02 1.990479158e+02 1.990642141e+02 5.655584658e+01 9.461254384e+01 1.841563615e+02 6.087788503e+01 8.960439386e+01 1.14 1.856024306e+02 1.184887723e+02 1.514841695e+02 1.856185020e+02 1.856345734e+02 5.237597643e+01 8.753911413e+01 1.714028738e+02 5.600735734e+01 8.318253873e+01 1.16 1.730065018e+02 1.091142006e+02 1.407183606e+02 1.730223480e+02 1.730381942e+02 4.846482677e+01 8.093953906e+01 1.594596879e+02 5.147884920e+01 7.716866655e+01 1.18 1.611945527e+02 1.004125162e+02 1.306512912e+02 1.612101754e+02 1.612257980e+02 4.480624061e+01 7.478360663e+01 1.482777432e+02 4.726958367e+01 7.153839336e+01 1.20 1.501201162e+02 9.233757297e+01 1.212396972e+02 1.501355171e+02 1.501509179e+02 4.138499025e+01 6.904297786e+01 1.378108462e+02 4.335825959e+01 6.626873355e+01 1.22 1.397393817e+02 8.484630002e+01 1.124429071e+02 1.397545623e+02 1.397697430e+02 3.818672564e+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 3.519792545e+01 5.870296230e+01 1.188507931e+02 3.635105095e+01 5.672584174e+01 1.26 1.208961795e+02 7.145666540e+01 9.654311822e+01 1.209109248e+02 1.209256700e+02 3.240585093e+01 5.405526902e+01 1.102781679e+02 3.321912478e+01 5.241295235e+01 1.28 1.123580845e+02 6.548579447e+01 8.937042123e+01 1.123726145e+02 1.123871446e+02 2.979850215e+01 4.972607097e+01 1.022613698e+02 3.031289684e+01 4.838122645e+01 1.30 1.043621801e+02 5.995323511e+01 8.267287050e+01 1.043764965e+02 1.043908129e+02 2.736457667e+01 4.569481336e+01 9.476627463e+01 2.761714598e+01 4.461358644e+01 1.32 9.687587958e+01 5.482852688e+01 7.642065399e+01 9.688998401e+01 9.690408843e+01 2.509343045e+01 4.194222491e+01 8.776077470e+01 2.511764407e+01 4.109394600e+01 1.34 8.986847993e+01 5.008325795e+01 7.058576456e+01 8.988237396e+01 8.989626799e+01 2.297504087e+01 3.845023922e+01 8.121466343e+01 2.280109240e+01 3.780715452e+01 1.36 8.331105628e+01 4.569093044e+01 6.514189377e+01 8.332474151e+01 8.333842674e+01 2.099997177e+01 3.520192109e+01 7.509952618e+01 2.065506215e+01 3.473894455e+01 1.38 7.717636229e+01 4.162683462e+01 6.006433165e+01 7.718984031e+01 7.720331833e+01 1.915934043e+01 3.218139709e+01 6.938863725e+01 1.866793865e+01 3.187588214e+01 1.40 7.143873587e+01 3.786793104e+01 5.532987239e+01 7.145200825e+01 7.146528063e+01 1.744478629e+01 2.937379052e+01 6.405686268e+01 1.682886907e+01 2.920531987e+01 1.42 6.607401004e+01 3.439274046e+01 5.091672533e+01 6.608707835e+01 6.610014665e+01 1.584844147e+01 2.676516019e+01 5.908056844e+01 1.512771356e+01 2.671535246e+01 1.44 6.105942871e+01 3.118124081e+01 4.680443120e+01 6.107229449e+01 6.108516028e+01 1.436290279e+01 2.434244296e+01 5.443753381e+01 1.355499942e+01 2.439477481e+01 1.46 5.637356701e+01 2.821477087e+01 4.297378312e+01 5.638623182e+01 5.639889663e+01 1.298120545e+01 2.209339973e+01 5.010686961e+01 1.210187819e+01 2.223304232e+01 1.48 5.199625608e+01 2.547594017e+01 3.940675221e+01 5.200872144e+01 5.202118681e+01 1.169679808e+01 2.000656472e+01 4.606894102e+01 1.076008544e+01 2.022023342e+01 1.50 4.790851184e+01 2.294854479e+01 3.608641751e+01 4.792077930e+01 4.793304675e+01 1.050351914e+01 1.807119784e+01 4.230529479e+01 9.521903183e+00 1.834701417e+01 1.52 4.409246787e+01 2.061748854e+01 3.299689997e+01 4.410453893e+01 4.411660999e+01 9.395574745e+00 1.627723994e+01 3.879859051e+01 8.380124598e+00 1.660460473e+01 1.54 4.053131181e+01 1.846870940e+01 3.012330023e+01 4.054318798e+01 4.055506414e+01 8.367517558e+00 1.461527075e+01 3.553253577e+01 7.328021037e+00 1.498474781e+01 1.56 3.720922536e+01 1.648911059e+01 2.745164010e+01 3.722090814e+01 3.723259091e+01 7.414226970e+00 1.307646938e+01 3.249182503e+01 6.359311128e+00 1.347967871e+01 1.58 3.411132760e+01 1.466649630e+01 2.496880737e+01 3.412281846e+01 3.413430933e+01 6.530890317e+00 1.165257729e+01 2.966208190e+01 5.468131830e+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 2.853294272e+01 1.144758548e+01 2.052119658e+01 2.854405419e+01 2.855516566e+01 4.956262568e+00 9.119091375e+00 2.458231526e+01 3.896843738e+00 9.582359391e+00 1.64 2.602691308e+01 1.003087985e+01 1.853407160e+01 2.603783706e+01 2.604876103e+01 4.256731262e+00 7.995488976e+00 2.230771029e+01 3.206865200e+00 8.467692047e+00 1.66 2.369389416e+01 8.730238873e+00 1.669099075e+01 2.370463209e+01 2.371537001e+01 3.610642748e+00 6.958719116e+00 2.019481593e+01 2.574631795e+00 7.435443902e+00 1.68 2.152294530e+01 7.537143797e+00 1.498245080e+01 2.153349861e+01 2.154405193e+01 3.014477192e+00 6.002852817e+00 1.823314462e+01 1.995998649e+00 6.480265313e+00 1.70 1.950378321e+01 6.443669976e+00 1.339954508e+01 1.951415335e+01 1.952452349e+01 2.464930134e+00 5.122343754e+00 1.641285455e+01 1.467100457e+00 5.597131761e+00 1.72 1.762674401e+01 5.442446765e+00 1.193392726e+01 1.763693239e+01 1.764712078e+01 1.958899926e+00 4.312004373e+00 1.472471139e+01 9.843332401e-01 4.781324966e+00 1.74 1.588274732e+01 4.526620097e+00 1.057777741e+01 1.589275537e+01 1.590276341e+01 1.493475886e+00 3.566983460e+00 1.316005224e+01 5.443372702e-01 4.028415049e+00 1.76 1.426326243e+01 3.689817513e+00 9.323769938e+00 1.427309154e+01 1.428292065e+01 1.065927113e+00 2.882745082e+00 1.171075163e+01 1.439810821e-01 3.334243695e+00 1.78 1.276027631e+01 2.926115501e+00 8.165043463e+00 1.276992788e+01 1.277957944e+01 6.736919361e-01 2.255048818e+00 1.036918952e+01 -2.196534845e-01 2.694908278e+00 1.80 1.136626344e+01 2.230008988e+00 7.095172501e+00 1.137573886e+01 1.138521427e+01 3.143679574e-01 1.679931205e+00 9.128221067e+00 -5.492852871e-01 2.106746860e+00 1.82 1.007415739e+01 1.596382853e+00 6.108140792e+00 1.008345803e+01 1.009275867e+01 -1.429734030e-02 1.153688313e+00 7.981148235e+00 -8.474469825e-01 1.566324060e+00 1.84 8.877323895e+00 1.020485327e+00 5.198316217e+00 8.886451133e+00 8.895578371e+00 -3.144154543e-01 6.728593980e-01 6.921692965e+00 -1.116497288e+00 1.070417700e+00 1.86 7.769535567e+00 4.979031527e-01 4.360427215e+00 7.778490762e+00 7.787445957e+00 -5.879652186e-01 2.342115522e-01 5.943971950e+00 -1.358632455e+00 6.160062307e-01 1.88 6.744947958e+00 2.453839929e-02 3.589540600e+00 6.753732462e+00 6.762516966e+00 -8.368006857e-01 -1.652746965e-01 5.042472851e+00 -1.575897001e+00 2.002568519e-01 1.90 5.798077018e+00 -4.034131820e-01 2.881040698e+00 5.806692175e+00 5.815307331e+00 -1.062658558e+00 -5.284189021e-01 4.212031908e+00 -1.770193754e+00 -1.794856780e-01 1.92 4.923777824e+00 -7.894823635e-01 2.230609733e+00 4.932224968e+00 4.940672112e+00 -1.267165195e+00 -8.578533826e-01 3.447812847e+00 -1.943293247e+00 -5.257096006e-01 1.94 4.117224520e+00 -1.136945291e+00 1.634209388e+00 4.125504979e+00 4.133785438e+00 -1.451843221e+00 -1.156035121e+00 2.745287024e+00 -2.096842506e+00 -8.407461107e-01 1.96 3.373891406e+00 -1.448841083e+00 1.088063465e+00 3.382006497e+00 3.390121588e+00 -1.618117750e+00 -1.425256930e+00 2.100214730e+00 -2.232373271e+00 -1.126778741e+00 1.98 2.689535098e+00 -1.727988239e+00 5.886415946e-01 2.697486131e+00 2.705437165e+00 -1.767322255e+00 -1.667657929e+00 1.508627588e+00 -2.351309681e+00 -1.385852206e+00 2.00 2.060177720e+00 -1.976999962e+00 1.326439189e-01 2.067965997e+00 2.075754274e+00 -1.900704100e+00 -1.885233366e+00 9.668119845e-01 -2.454975468e+00 -1.619880743e+00 2.02 1.482091051e+00 -2.198298438e+00 -2.830133018e-01 1.489717865e+00 1.497344679e+00 -2.019429752e+00 -2.079843838e+00 4.712934792e-01 -2.544600678e+00 -1.830655966e+00 2.04 9.517815932e-01 -2.394128160e+00 -6.612112125e-01 9.592482287e-01 9.667148643e-01 -2.124589690e+00 -2.253223934e+00 1.882212860e-02 -2.621327956e+00 -2.019854270e+00 2.06 4.659764859e-01 -2.566568357e+00 -1.004641070e+00 4.732842197e-01 4.805919534e-01 -2.217203030e+00 -2.406990339e+00 -3.936413213e-01 -2.686218426e+00 -2.189043807e+00 2.08 2.161024672e-02 -2.717544574e+00 -1.315816178e+00 2.876034717e-02 3.591044762e-02 -2.298221884e+00 -2.542649443e+00 -7.689384259e-01 -2.740257185e+00 -2.339691059e+00 2.10 -3.841877301e-01 -2.848839477e+00 -1.597083104e+00 -3.771940026e-01 -3.702002751e-01 -2.368535459e+00 -2.661604460e+00 -1.109725263e+00 -2.784358439e+00 -2.473167026e+00 2.12 -7.541049476e-01 -2.962102918e+00 -1.850632207e+00 -7.472663407e-01 -7.404277338e-01 -2.428973926e+00 -2.765162120e+00 -1.418483926e+00 -2.819370301e+00 -2.590753055e+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 -1.396197506e+00 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