# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Cu # implementation = 2018--Jeong-G-U--Pd-Cu--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 2.325014157e+02 nan nan nan nan 0.74 nan nan nan nan nan 2.175150341e+02 nan nan nan nan 0.76 nan nan nan nan nan 2.034278171e+02 nan nan 2.450779639e+02 nan 0.78 nan nan nan nan nan 1.901881690e+02 nan nan 2.277039763e+02 nan 0.80 nan nan nan nan nan 1.777473566e+02 nan nan 2.114906188e+02 nan 0.82 nan nan nan nan nan 1.660593551e+02 nan nan 1.963625150e+02 nan 0.84 nan 3.835961917e+02 nan nan nan 1.550807014e+02 2.659759628e+02 nan 1.822491154e+02 2.401299699e+02 0.86 nan 3.556951843e+02 nan nan nan 1.447703555e+02 2.477028149e+02 nan 1.690843898e+02 2.244253667e+02 0.88 nan 3.297165817e+02 nan nan nan 1.350895695e+02 2.306079463e+02 nan 1.568065390e+02 2.096726299e+02 0.90 nan 3.055319004e+02 nan nan nan 1.260017630e+02 2.146178041e+02 nan 1.453577259e+02 1.958166627e+02 0.92 nan 2.830210732e+02 3.315284958e+02 nan nan 1.174724054e+02 1.996633423e+02 3.694790022e+02 1.346838222e+02 1.828054495e+02 0.94 3.671424067e+02 2.620719046e+02 3.092975795e+02 3.671608253e+02 3.671792439e+02 1.094689041e+02 1.856797489e+02 3.451560102e+02 1.247341728e+02 1.705898887e+02 0.96 3.434430783e+02 2.425795617e+02 2.884660915e+02 3.434612543e+02 3.434794302e+02 1.019604996e+02 1.726061886e+02 3.223350465e+02 1.154613745e+02 1.591236338e+02 0.98 3.211775277e+02 2.244460977e+02 2.689492026e+02 3.211954628e+02 3.212133978e+02 9.491816461e+01 1.603855611e+02 3.009270242e+02 1.068210689e+02 1.483629436e+02 1.00 3.002625290e+02 2.075800060e+02 2.506670832e+02 3.002802250e+02 3.002979210e+02 8.831451007e+01 1.489642748e+02 2.808479780e+02 9.877174838e+01 1.382665397e+02 1.02 2.806195328e+02 1.918958030e+02 2.335446151e+02 2.806369914e+02 2.806544501e+02 8.212369510e+01 1.382920330e+02 2.620187772e+02 9.127457459e+01 1.287954719e+02 1.04 2.621744102e+02 1.773136378e+02 2.175111198e+02 2.621916333e+02 2.622088564e+02 7.632134234e+01 1.283216343e+02 2.443648545e+02 8.429320862e+01 1.199129907e+02 1.06 2.448572114e+02 1.637589268e+02 2.025001021e+02 2.448742007e+02 2.448911900e+02 7.088445753e+01 1.190087839e+02 2.278159500e+02 7.779365169e+01 1.115844271e+02 1.08 2.286019363e+02 1.511620119e+02 1.884490088e+02 2.286186935e+02 2.286354508e+02 6.579135351e+01 1.103119176e+02 2.123058689e+02 7.174409612e+01 1.037770775e+02 1.10 2.133463182e+02 1.394578408e+02 1.752990005e+02 2.133628451e+02 2.133793720e+02 6.102157826e+01 1.021920350e+02 1.977722525e+02 6.611478576e+01 9.646009653e+01 1.12 1.990316181e+02 1.285856675e+02 1.629947360e+02 1.990479164e+02 1.990642147e+02 5.655584677e+01 9.461254412e+01 1.841563620e+02 6.087788522e+01 8.960439414e+01 1.14 1.856024311e+02 1.184887726e+02 1.514841699e+02 1.856185025e+02 1.856345739e+02 5.237597661e+01 8.753911439e+01 1.714028743e+02 5.600735752e+01 8.318253899e+01 1.16 1.730065023e+02 1.091142009e+02 1.407183610e+02 1.730223485e+02 1.730381947e+02 4.846482693e+01 8.093953930e+01 1.594596884e+02 5.147884936e+01 7.716866678e+01 1.18 1.611945531e+02 1.004125164e+02 1.306512916e+02 1.612101758e+02 1.612257985e+02 4.480624075e+01 7.478360685e+01 1.482777436e+02 4.726958381e+01 7.153839358e+01 1.20 1.501201166e+02 9.233757321e+01 1.212396975e+02 1.501355175e+02 1.501509183e+02 4.138499039e+01 6.904297807e+01 1.378108466e+02 4.335825973e+01 6.626873375e+01 1.22 1.397393820e+02 8.484630023e+01 1.124429074e+02 1.397545627e+02 1.397697434e+02 3.818672576e+01 6.369107281e+01 1.280155090e+02 3.972495754e+01 6.133802240e+01 1.24 1.300110473e+02 7.789850103e+01 1.042226915e+02 1.300260094e+02 1.300409716e+02 3.519792556e+01 5.870296247e+01 1.188507935e+02 3.635105107e+01 5.672584191e+01 1.26 1.208961798e+02 7.145666557e+01 9.654311848e+01 1.209109251e+02 1.209256704e+02 3.240585104e+01 5.405526918e+01 1.102781682e+02 3.321912488e+01 5.241295252e+01 1.28 1.123580848e+02 6.548579463e+01 8.937042146e+01 1.123726148e+02 1.123871449e+02 2.979850225e+01 4.972607111e+01 1.022613701e+02 3.031289693e+01 4.838122660e+01 1.30 1.043621804e+02 5.995323525e+01 8.267287072e+01 1.043764968e+02 1.043908132e+02 2.736457677e+01 4.569481349e+01 9.476627488e+01 2.761714607e+01 4.461358658e+01 1.32 9.687587984e+01 5.482852702e+01 7.642065419e+01 9.688998426e+01 9.690408868e+01 2.509343054e+01 4.194222503e+01 8.776077493e+01 2.511764415e+01 4.109394613e+01 1.34 8.986848016e+01 5.008325806e+01 7.058576474e+01 8.988237419e+01 8.989626822e+01 2.297504095e+01 3.845023934e+01 8.121466365e+01 2.280109247e+01 3.780715464e+01 1.36 8.331105649e+01 4.569093055e+01 6.514189393e+01 8.332474172e+01 8.333842696e+01 2.099997184e+01 3.520192119e+01 7.509952638e+01 2.065506222e+01 3.473894466e+01 1.38 7.717636249e+01 4.162683471e+01 6.006433181e+01 7.718984051e+01 7.720331853e+01 1.915934049e+01 3.218139718e+01 6.938863743e+01 1.866793871e+01 3.187588224e+01 1.40 7.143873605e+01 3.786793113e+01 5.532987253e+01 7.145200843e+01 7.146528081e+01 1.744478635e+01 2.937379061e+01 6.405686284e+01 1.682886912e+01 2.920531996e+01 1.42 6.607401021e+01 3.439274054e+01 5.091672547e+01 6.608707852e+01 6.610014682e+01 1.584844152e+01 2.676516027e+01 5.908056859e+01 1.512771361e+01 2.671535255e+01 1.44 6.105942887e+01 3.118124088e+01 4.680443133e+01 6.107229465e+01 6.108516043e+01 1.436290284e+01 2.434244304e+01 5.443753395e+01 1.355499947e+01 2.439477489e+01 1.46 5.637356716e+01 2.821477094e+01 4.297378323e+01 5.638623197e+01 5.639889678e+01 1.298120550e+01 2.209339980e+01 5.010686974e+01 1.210187823e+01 2.223304239e+01 1.48 5.199625621e+01 2.547594023e+01 3.940675231e+01 5.200872158e+01 5.202118695e+01 1.169679812e+01 2.000656478e+01 4.606894114e+01 1.076008548e+01 2.022023349e+01 1.50 4.790851197e+01 2.294854484e+01 3.608641761e+01 4.792077942e+01 4.793304688e+01 1.050351918e+01 1.807119790e+01 4.230529490e+01 9.521903220e+00 1.834701423e+01 1.52 4.409246799e+01 2.061748859e+01 3.299690005e+01 4.410453904e+01 4.411661010e+01 9.395574783e+00 1.627724000e+01 3.879859061e+01 8.380124631e+00 1.660460479e+01 1.54 4.053131191e+01 1.846870944e+01 3.012330031e+01 4.054318808e+01 4.055506425e+01 8.367517593e+00 1.461527080e+01 3.553253586e+01 7.328021067e+00 1.498474786e+01 1.56 3.720922546e+01 1.648911063e+01 2.745164017e+01 3.722090823e+01 3.723259100e+01 7.414227001e+00 1.307646943e+01 3.249182511e+01 6.359311155e+00 1.347967876e+01 1.58 3.411132768e+01 1.466649633e+01 2.496880743e+01 3.412281855e+01 3.413430941e+01 6.530890345e+00 1.165257733e+01 2.966208197e+01 5.468131854e+00 1.208209723e+01 1.60 3.122362144e+01 1.298951147e+01 2.266250392e+01 3.123492188e+01 3.124622231e+01 5.712985190e+00 1.033586342e+01 2.702980479e+01 4.649011365e+00 1.078514076e+01 1.62 2.853294278e+01 1.144758551e+01 2.052119663e+01 2.854405426e+01 2.855516573e+01 4.956262590e+00 9.119091406e+00 2.458231532e+01 3.896843757e+00 9.582359424e+00 1.64 2.602691314e+01 1.003087988e+01 1.853407164e+01 2.603783712e+01 2.604876109e+01 4.256731282e+00 7.995489003e+00 2.230771034e+01 3.206865217e+00 8.467692077e+00 1.66 2.369389422e+01 8.730238894e+00 1.669099079e+01 2.370463214e+01 2.371537007e+01 3.610642766e+00 6.958719141e+00 2.019481597e+01 2.574631811e+00 7.435443930e+00 1.68 2.152294535e+01 7.537143815e+00 1.498245084e+01 2.153349866e+01 2.154405198e+01 3.014477209e+00 6.002852839e+00 1.823314466e+01 1.995998663e+00 6.480265337e+00 1.70 1.950378326e+01 6.443669993e+00 1.339954511e+01 1.951415339e+01 1.952452353e+01 2.464930149e+00 5.122343774e+00 1.641285459e+01 1.467100469e+00 5.597131784e+00 1.72 1.762674405e+01 5.442446779e+00 1.193392729e+01 1.763693243e+01 1.764712082e+01 1.958899940e+00 4.312004391e+00 1.472471143e+01 9.843332513e-01 4.781324987e+00 1.74 1.588274736e+01 4.526620110e+00 1.057777744e+01 1.589275540e+01 1.590276345e+01 1.493475899e+00 3.566983477e+00 1.316005227e+01 5.443372802e-01 4.028415067e+00 1.76 1.426326247e+01 3.689817524e+00 9.323769963e+00 1.427309157e+01 1.428292068e+01 1.065927124e+00 2.882745097e+00 1.171075166e+01 1.439810911e-01 3.334243712e+00 1.78 1.276027634e+01 2.926115511e+00 8.165043485e+00 1.276992791e+01 1.277957947e+01 6.736919462e-01 2.255048831e+00 1.036918954e+01 -2.196534764e-01 2.694908293e+00 1.80 1.136626347e+01 2.230008996e+00 7.095172521e+00 1.137573889e+01 1.138521430e+01 3.143679665e-01 1.679931217e+00 9.128221091e+00 -5.492852799e-01 2.106746874e+00 1.82 1.007415741e+01 1.596382861e+00 6.108140809e+00 1.008345805e+01 1.009275870e+01 -1.429733219e-02 1.153688324e+00 7.981148256e+00 -8.474469761e-01 1.566324072e+00 1.84 8.877323916e+00 1.020485333e+00 5.198316233e+00 8.886451155e+00 8.895578393e+00 -3.144154470e-01 6.728594074e-01 6.921692983e+00 -1.116497283e+00 1.070417711e+00 1.86 7.769535587e+00 4.979031586e-01 4.360427230e+00 7.778490782e+00 7.787445977e+00 -5.879652120e-01 2.342115606e-01 5.943971965e+00 -1.358632450e+00 6.160062405e-01 1.88 6.744947976e+00 2.453840426e-02 3.589540613e+00 6.753732480e+00 6.762516984e+00 -8.368006797e-01 -1.652746888e-01 5.042472865e+00 -1.575896996e+00 2.002568610e-01 1.90 5.798077035e+00 -4.034131774e-01 2.881040710e+00 5.806692191e+00 5.815307348e+00 -1.062658552e+00 -5.284188950e-01 4.212031921e+00 -1.770193750e+00 -1.794856696e-01 1.92 4.923777839e+00 -7.894823595e-01 2.230609745e+00 4.932224984e+00 4.940672128e+00 -1.267165190e+00 -8.578533762e-01 3.447812859e+00 -1.943293243e+00 -5.257095927e-01 1.94 4.117224535e+00 -1.136945288e+00 1.634209398e+00 4.125504993e+00 4.133785452e+00 -1.451843217e+00 -1.156035115e+00 2.745287036e+00 -2.096842503e+00 -8.407461034e-01 1.96 3.373891419e+00 -1.448841080e+00 1.088063474e+00 3.382006510e+00 3.390121602e+00 -1.618117746e+00 -1.425256925e+00 2.100214741e+00 -2.232373267e+00 -1.126778734e+00 1.98 2.689535110e+00 -1.727988237e+00 5.886416029e-01 2.697486143e+00 2.705437177e+00 -1.767322251e+00 -1.667657924e+00 1.508627597e+00 -2.351309678e+00 -1.385852200e+00 2.00 2.060177730e+00 -1.976999960e+00 1.326439261e-01 2.067966007e+00 2.075754285e+00 -1.900704096e+00 -1.885233362e+00 9.668119919e-01 -2.454975466e+00 -1.619880738e+00 2.02 1.482091061e+00 -2.198298436e+00 -2.830132956e-01 1.489717875e+00 1.497344688e+00 -2.019429749e+00 -2.079843835e+00 4.712934857e-01 -2.544600676e+00 -1.830655962e+00 2.04 9.517816009e-01 -2.394128159e+00 -6.612112072e-01 9.592482364e-01 9.667148720e-01 -2.124589687e+00 -2.253223931e+00 1.882213448e-02 -2.621327954e+00 -2.019854266e+00 2.06 4.659764923e-01 -2.566568356e+00 -1.004641065e+00 4.732842261e-01 4.805919598e-01 -2.217203028e+00 -2.406990337e+00 -3.936413160e-01 -2.686218425e+00 -2.189043804e+00 2.08 2.161025201e-02 -2.717544573e+00 -1.315816175e+00 2.876035246e-02 3.591045291e-02 -2.298221882e+00 -2.542649441e+00 -7.689384216e-01 -2.740257184e+00 -2.339691056e+00 2.10 -3.841877257e-01 -2.848839476e+00 -1.597083101e+00 -3.771939982e-01 -3.702002707e-01 -2.368535458e+00 -2.661604458e+00 -1.109725259e+00 -2.784358438e+00 -2.473167024e+00 2.12 -7.541049438e-01 -2.962102918e+00 -1.850632204e+00 -7.472663370e-01 -7.404277301e-01 -2.428973924e+00 -2.765162118e+00 -1.418483923e+00 -2.819370300e+00 -2.590753053e+00 2.14 -1.090656894e+00 -3.058861321e+00 -2.078507524e+00 -1.083972164e+00 -1.077287433e+00 -2.480312049e+00 -2.854538924e+00 -1.697533335e+00 -2.846079279e+00 -2.693646330e+00 2.16 -1.396197504e+00 -3.140526428e+00 -2.282616070e+00 -1.389665413e+00 -1.383133323e+00 -2.523272621e+00 -2.930867027e+00 -1.949039409e+00 -2.865214473e+00 -2.782965045e+00 2.18 -1.672928970e+00 -3.208403441e+00 -2.464736538e+00 -1.666548291e+00 -1.660167612e+00 -2.558529675e+00 -2.995199732e+00 -2.175024610e+00 -2.877451485e+00 -2.859753262e+00 2.20 -1.922911027e+00 -3.263698620e+00 -2.626527497e+00 -1.916680539e+00 -1.910450052e+00 -2.586711522e+00 -3.048516656e+00 -2.377376939e+00 -2.883416079e+00 -2.924985495e+00 2.22 -2.148069662e+00 -3.307526348e+00 -2.769535067e+00 -2.141988153e+00 -2.135906643e+00 -2.608403606e+00 -3.091728556e+00 -2.557858378e+00 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