# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Kang-K-H-Sa-I-Lee-J-C-et-al--Cu-Zr-Ag # implementation = 2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1 # composition = Ag3Cu # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 1.045693304e+03 nan nan 0.92 9.651133094e+02 nan nan 0.94 8.905335222e+02 nan nan 0.96 8.215184475e+02 nan nan 0.98 7.576634981e+02 8.984669421e+02 nan 1.00 6.985928450e+02 8.348537738e+02 nan 1.02 6.439574155e+02 7.755848614e+02 9.747327099e+02 1.04 5.934330277e+02 7.203706531e+02 9.077281610e+02 1.06 5.467186523e+02 6.689405294e+02 8.451560670e+02 1.08 5.035347941e+02 6.210415860e+02 7.867312262e+02 1.10 4.636219838e+02 5.764374925e+02 7.321863676e+02 1.12 4.267393738e+02 5.349074228e+02 6.812710460e+02 1.14 3.926634305e+02 4.962450566e+02 6.337506058e+02 1.16 3.611867162e+02 4.602576410e+02 5.894052043e+02 1.18 3.321167557e+02 4.267651133e+02 5.480288968e+02 1.20 3.052749802e+02 3.955992809e+02 5.094287769e+02 1.22 2.804957453e+02 3.666030510e+02 4.734241668e+02 1.24 2.576254160e+02 3.396297114e+02 4.398458601e+02 1.26 2.365215158e+02 3.145422571e+02 4.085354087e+02 1.28 2.170519343e+02 2.912127582e+02 3.793444526e+02 1.30 1.990941902e+02 2.695217712e+02 3.521340932e+02 1.32 1.825347457e+02 2.493577851e+02 3.267743020e+02 1.34 1.672683686e+02 2.306167047e+02 3.031433665e+02 1.36 1.531975384e+02 2.132013671e+02 2.811273718e+02 1.38 1.402318952e+02 1.970210879e+02 2.606197105e+02 1.40 1.282877256e+02 1.819912383e+02 2.415206255e+02 1.42 1.172874859e+02 1.680328481e+02 2.237367802e+02 1.44 1.071593581e+02 1.550722350e+02 2.071808541e+02 1.46 9.783683770e+01 1.430406573e+02 1.917711644e+02 1.48 8.925834960e+01 1.318739897e+02 1.774313110e+02 1.50 8.136689221e+01 1.215124190e+02 1.640898422e+02 1.52 7.410970592e+01 1.119001606e+02 1.516799427e+02 1.54 6.743796540e+01 1.029851927e+02 1.401391394e+02 1.56 6.130649354e+01 9.471900752e+01 1.294090265e+02 1.58 5.567349585e+01 8.705637964e+01 1.194350072e+02 1.60 5.050031362e+01 7.995514813e+01 1.101660513e+02 1.62 4.575119471e+01 7.337601363e+01 1.015544682e+02 1.64 4.139308076e+01 6.728234863e+01 9.355569404e+01 1.66 3.739540950e+01 6.164001963e+01 8.612809165e+01 1.68 3.372993130e+01 5.641722135e+01 7.923276361e+01 1.70 3.037053883e+01 5.158432162e+01 7.283337663e+01 1.72 2.729310897e+01 4.711371619e+01 6.689599681e+01 1.74 2.447535611e+01 4.297969347e+01 6.138893570e+01 1.76 2.189669605e+01 3.915830776e+01 5.628260558e+01 1.78 1.953811962e+01 3.562726088e+01 5.154938391e+01 1.80 1.738207561e+01 3.236579176e+01 4.716348665e+01 1.82 1.541236206e+01 2.935457300e+01 4.310084906e+01 1.84 1.361402547e+01 2.657561444e+01 3.933901438e+01 1.86 1.197326742e+01 2.401217308e+01 3.585702953e+01 1.88 1.047735785e+01 2.164866875e+01 3.263534714e+01 1.90 9.114554845e+00 1.947060560e+01 2.965573413e+01 1.92 7.874030150e+00 1.746449866e+01 2.690118594e+01 1.94 6.745800224e+00 1.561780520e+01 2.435584607e+01 1.96 5.720662325e+00 1.391886082e+01 2.200493110e+01 1.98 4.790135326e+00 1.235681960e+01 1.983466017e+01 2.00 3.946404858e+00 1.092159832e+01 1.783218905e+01 2.02 3.182272550e+00 9.603824447e+00 1.598554859e+01 2.04 2.491108995e+00 8.394787453e+00 1.428358688e+01 2.06 1.866810219e+00 7.286393488e+00 1.271591523e+01 2.08 1.303757395e+00 6.271123082e+00 1.127285774e+01 2.10 7.967795374e-01 5.341991595e+00 9.945403851e+00 2.12 3.411190038e-01 4.492512419e+00 8.725164199e+00 2.14 -6.760043403e-02 3.716662606e+00 7.604329230e+00 2.16 -4.334031212e-01 3.008850778e+00 6.575630442e+00 2.18 -7.599888314e-01 2.363887277e+00 5.632304256e+00 2.20 -1.050758019e+00 1.776956253e+00 4.768058137e+00 2.22 -1.308835173e+00 1.243589666e+00 3.977038940e+00 2.24 -1.537090390e+00 7.596430789e-01 3.253803384e+00 2.26 -1.738159327e+00 3.212730356e-01 2.593290353e+00 2.28 -1.914461625e+00 -7.508399035e-02 1.990795078e+00 2.30 -2.068217932e+00 -4.327312072e-01 1.441945013e+00 2.32 -2.201465636e+00 -7.547298208e-01 9.426772365e-01 2.34 -2.316073375e+00 -1.043916055e+00 4.892174100e-01 2.36 -2.413754452e+00 -1.302917029e+00 7.806008497e-02 2.38 -2.496079206e+00 -1.534165564e+00 -2.940497011e-01 2.40 -2.564486434e+00 -1.739913934e+00 -6.301335636e-01 2.42 -2.620293928e+00 -1.922246707e+00 -9.329958201e-01 2.44 -2.664708202e+00 -2.083092691e+00 -1.205238459e+00 2.46 -2.698833452e+00 -2.224236037e+00 -1.449275087e+00 2.48 -2.723679825e+00 -2.347326613e+00 -1.667343990e+00 2.50 -2.740171047e+00 -2.453889625e+00 -1.861520288e+00 2.52 -2.749151441e+00 -2.545334580e+00 -2.033727278e+00 2.54 -2.751392408e+00 -2.622963641e+00 -2.185747041e+00 2.56 -2.747598386e+00 -2.687979379e+00 -2.319230304e+00 2.58 -2.738412348e+00 -2.741491992e+00 -2.435705653e+00 2.60 -2.724420858e+00 -2.784526028e+00 -2.536588127e+00 2.62 -2.706158731e+00 -2.818026620e+00 -2.623187218e+00 2.64 -2.684113320e+00 -2.842865295e+00 -2.696714333e+00 2.66 -2.658728461e+00 -2.859845373e+00 -2.758289762e+00 2.68 -2.630408098e+00 -2.869706976e+00 -2.808949138e+00 2.70 -2.599519630e+00 -2.873131695e+00 -2.849649494e+00 2.72 -2.566396972e+00 -2.870746919e+00 -2.881274879e+00 2.74 -2.531343380e+00 -2.863129856e+00 -2.904641592e+00 2.76 -2.494634046e+00 -2.850811274e+00 -2.920503070e+00 2.78 -2.456518479e+00 -2.834278965e+00 -2.929554419e+00 2.80 -2.417222693e+00 -2.813980970e+00 -2.932436644e+00 2.82 -2.376951217e+00 -2.790328572e+00 -2.929740584e+00 2.84 -2.335888944e+00 -2.763699063e+00 -2.922010567e+00 2.86 -2.294202817e+00 -2.734438328e+00 -2.909747820e+00 2.88 -2.252043393e+00 -2.702863230e+00 -2.893413630e+00 2.90 -2.209546259e+00 -2.669263826e+00 -2.873432292e+00 2.92 -2.166833345e+00 -2.633905421e+00 -2.850193844e+00 2.94 -2.124014119e+00 -2.597030477e+00 -2.824056614e+00 2.96 -2.081186688e+00 -2.558860373e+00 -2.795349579e+00 2.98 -2.038438804e+00 -2.519597048e+00 -2.764374569e+00 3.00 -1.995848782e+00 -2.479424511e+00 -2.731408299e+00 3.02 -1.953486351e+00 -2.438510250e+00 -2.696704273e+00 3.04 -1.911413417e+00 -2.397006530e+00 -2.660494534e+00 3.06 -1.869684780e+00 -2.355051597e+00 -2.622991305e+00 3.08 -1.828348772e+00 -2.312770794e+00 -2.584388499e+00 3.10 -1.787447854e+00 -2.270277591e+00 -2.544863126e+00 3.12 -1.747019156e+00 -2.227674539e+00 -2.504576599e+00 3.14 -1.707094968e+00 -2.185054152e+00 -2.463675943e+00 3.16 -1.667703193e+00 -2.142499725e+00 -2.422294913e+00 3.18 -1.628867760e+00 -2.100086085e+00 -2.380555035e+00 3.20 -1.590609001e+00 -2.057880288e+00 -2.338566571e+00 3.22 -1.552943990e+00 -2.015942267e+00 -2.296429405e+00 3.24 -1.515886863e+00 -1.974325418e+00 -2.254233874e+00 3.26 -1.479449097e+00 -1.933077159e+00 -2.212061531e+00 3.28 -1.443639776e+00 -1.892239426e+00 -2.169985849e+00 3.30 -1.408465823e+00 -1.851849149e+00 -2.128072882e+00 3.32 -1.373932222e+00 -1.811938676e+00 -2.086381864e+00 3.34 -1.340042208e+00 -1.772536177e+00 -2.044965772e+00 3.36 -1.306797454e+00 -1.733666002e+00 -2.003871842e+00 3.38 -1.274198227e+00 -1.695349026e+00 -1.963142049e+00 3.40 -1.242243539e+00 -1.657602952e+00 -1.922813547e+00 3.42 -1.210931283e+00 -1.620442605e+00 -1.882919075e+00 3.44 -1.180258354e+00 -1.583880187e+00 -1.843487336e+00 3.46 -1.150220759e+00 -1.547925526e+00 -1.804543344e+00 3.48 -1.120813720e+00 -1.512586292e+00 -1.766108742e+00 3.50 -1.092031765e+00 -1.477868204e+00 -1.728202099e+00 3.52 -1.063868809e+00 -1.443775220e+00 -1.690839180e+00 3.54 -1.036318231e+00 -1.410309705e+00 -1.654033200e+00 3.56 -1.009372945e+00 -1.377472591e+00 -1.617795051e+00 3.58 -9.830254539e-01 -1.345263522e+00 -1.582133515e+00 3.60 -9.572679140e-01 -1.313680985e+00 -1.547055462e+00 3.62 -9.320921795e-01 -1.282722435e+00 -1.512566026e+00 3.64 -9.074898507e-01 -1.252384402e+00 -1.478668772e+00 3.66 -8.834523143e-01 -1.222662597e+00 -1.445365847e+00 3.68 -8.599707813e-01 -1.193551999e+00 -1.412658120e+00 3.70 -8.370363196e-01 -1.165046947e+00 -1.380545308e+00 3.72 -8.146398849e-01 -1.137141213e+00 -1.349026092e+00 3.74 -7.927723476e-01 -1.109828074e+00 -1.318098229e+00 3.76 -7.714245172e-01 -1.083100375e+00 -1.287758645e+00 3.78 -7.505871644e-01 -1.056950590e+00 -1.258003529e+00 3.80 -7.302510406e-01 -1.031370872e+00 -1.228828410e+00 3.82 -7.104068956e-01 -1.006353107e+00 -1.200228239e+00 3.84 -6.910454937e-01 -9.818889503e-01 -1.172197452e+00 3.86 -6.721576274e-01 -9.579698721e-01 -1.144730034e+00 3.88 -6.537341302e-01 -9.345871914e-01 -1.117819577e+00 3.90 -6.357658878e-01 -9.117321086e-01 -1.091459334e+00 3.92 -6.182438483e-01 -8.893957349e-01 -1.065642259e+00 3.94 -6.011590306e-01 -8.675691189e-01 -1.040361059e+00 3.96 -5.845025326e-01 -8.462432706e-01 -1.015608227e+00 3.98 -5.682655380e-01 -8.254091820e-01 -9.913760793e-01 4.00 -5.524393225e-01 -8.050578471e-01 -9.676567880e-01 4.02 -5.363664520e-01 -7.851802784e-01 -9.444424095e-01 4.04 -5.114985410e-01 -7.657675225e-01 -9.217249107e-01 4.06 -4.681827404e-01 -7.468106734e-01 -8.994961929e-01 4.08 -4.492332505e-01 -7.283008845e-01 -8.777481130e-01 4.10 -4.383550388e-01 -7.102293795e-01 -8.564725028e-01 4.12 -4.273940708e-01 -6.925874611e-01 -8.356611862e-01 4.14 -4.167252133e-01 -6.753665198e-01 -8.153059944e-01 4.16 -4.063409414e-01 -6.585580404e-01 -7.953987800e-01 4.18 -3.962338424e-01 -6.421536086e-01 -7.759314290e-01 4.20 -3.863966167e-01 -6.261449157e-01 -7.568958720e-01 4.22 -3.768220795e-01 -6.105237635e-01 -7.382840936e-01 4.24 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-4.670869099e-01 4.60 -1.184425897e-01 -3.609860623e-01 -4.551173118e-01 4.62 -1.150880882e-01 -3.521428163e-01 -4.434301789e-01 4.64 -1.118279883e-01 -3.435288743e-01 -4.320195444e-01 4.66 -1.086596772e-01 -3.351388329e-01 -4.208795470e-01 4.68 -1.055806084e-01 -3.269673940e-01 -4.100044300e-01 4.70 -1.025883008e-01 -3.190093622e-01 -3.993885401e-01 4.72 -9.968033748e-02 -3.112596420e-01 -3.890263270e-01 4.74 -9.685436470e-02 -3.037132348e-01 -3.789123413e-01 4.76 -9.410809048e-02 -2.963652362e-01 -3.690412342e-01 4.78 -9.143928357e-02 -2.892108330e-01 -3.594077557e-01 4.80 -8.884577215e-02 -2.822453002e-01 -3.500067537e-01 4.82 -8.632544263e-02 -2.754639982e-01 -3.408331724e-01 4.84 -8.387623843e-02 -2.688623697e-01 -3.318820513e-01 4.86 -8.149615869e-02 -2.624359366e-01 -3.231485237e-01 4.88 -7.918325705e-02 -2.561802975e-01 -3.146278152e-01 4.90 -7.693564042e-02 -2.500911239e-01 -3.063152426e-01 4.92 -7.455609131e-02 -2.436099126e-01 -2.975581073e-01 4.94 -6.960776536e-02 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