# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr2 # 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 nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 5.176629901e+01 nan 0.82 nan nan nan nan nan nan nan nan 4.937248163e+01 nan 0.84 nan nan nan nan nan nan nan nan 4.735766455e+01 nan 0.86 nan nan nan nan nan 4.813304284e+01 nan nan 4.568631900e+01 nan 0.88 nan nan nan nan nan 4.714210736e+01 nan nan 4.429546959e+01 nan 0.90 nan nan nan nan nan 4.635294799e+01 nan nan 4.315294714e+01 nan 0.92 nan nan nan nan nan 4.575382098e+01 nan nan 4.222217490e+01 nan 0.94 nan nan nan nan nan 4.531168040e+01 nan nan 4.147824496e+01 nan 0.96 nan nan nan nan nan 4.501351627e+01 nan nan 4.091620769e+01 nan 0.98 nan nan nan 4.858707306e+01 4.859088764e+01 4.485175209e+01 nan nan 4.051724209e+01 4.209789635e+01 1.00 nan 3.913032309e+01 nan 4.654255793e+01 4.654388203e+01 4.479964573e+01 4.040270186e+01 nan 4.025175715e+01 4.115423945e+01 1.02 nan 3.839247294e+01 nan 4.475360339e+01 4.475334059e+01 4.484889497e+01 3.961223610e+01 nan 4.010148470e+01 4.039367828e+01 1.04 nan 3.780226668e+01 nan 4.319960072e+01 4.319916047e+01 4.498171175e+01 3.897619716e+01 nan 4.005421678e+01 3.978513824e+01 1.06 nan 3.734763819e+01 nan 4.186653685e+01 4.186867094e+01 4.308522645e+01 3.847954117e+01 nan 4.009439045e+01 3.931446475e+01 1.08 nan 3.701740709e+01 nan 4.073060300e+01 4.073699738e+01 4.100788855e+01 3.810851031e+01 nan 4.020935635e+01 3.896211993e+01 1.10 nan 3.679149982e+01 3.848228064e+01 3.976035130e+01 3.976959724e+01 3.888434731e+01 3.785138039e+01 3.886019735e+01 3.973173042e+01 3.872325959e+01 1.12 3.891627314e+01 3.666063438e+01 3.785875125e+01 3.893946134e+01 3.894820909e+01 3.676342518e+01 3.768667320e+01 3.818273353e+01 3.780808408e+01 3.859451626e+01 1.14 3.823452895e+01 3.661494498e+01 3.737064346e+01 3.824846759e+01 3.825099069e+01 3.467891564e+01 3.761470459e+01 3.763662023e+01 3.579050189e+01 3.855660735e+01 1.16 3.769218025e+01 3.665042094e+01 3.699221531e+01 3.768723256e+01 3.768538680e+01 3.264766700e+01 3.763012632e+01 3.720433321e+01 3.373574727e+01 3.858396062e+01 1.18 3.726007434e+01 3.675342329e+01 3.670844965e+01 3.724253617e+01 3.724045453e+01 3.068462512e+01 3.771777082e+01 3.686801162e+01 3.168263724e+01 3.867322893e+01 1.20 3.691499050e+01 3.692020331e+01 3.649710603e+01 3.689739940e+01 3.689607227e+01 2.879534605e+01 3.786947126e+01 3.661740194e+01 2.966230055e+01 3.882932814e+01 1.22 3.664692015e+01 3.596878667e+01 3.636944603e+01 3.663994607e+01 3.664053390e+01 2.698550375e+01 3.733190192e+01 3.644555428e+01 2.769461053e+01 3.768390268e+01 1.24 3.646353812e+01 3.419744933e+01 3.631982867e+01 3.646655771e+01 3.647074790e+01 2.525970763e+01 3.560291158e+01 3.635136035e+01 2.579169836e+01 3.590367485e+01 1.26 3.635315819e+01 3.233627125e+01 3.633050576e+01 3.637115785e+01 3.637867641e+01 2.361505608e+01 3.377763404e+01 3.632922192e+01 2.396252980e+01 3.405527006e+01 1.28 3.631716688e+01 3.043607543e+01 3.640240957e+01 3.634414093e+01 3.635349475e+01 2.204959346e+01 3.189932828e+01 3.637839908e+01 2.221246551e+01 3.218366061e+01 1.30 3.635173139e+01 2.852831458e+01 3.653271685e+01 3.637297499e+01 3.638136675e+01 2.056360634e+01 3.000853777e+01 3.648854736e+01 2.054391615e+01 3.031912442e+01 1.32 3.644237092e+01 2.664271899e+01 3.653206866e+01 3.645327164e+01 3.646018490e+01 1.915832764e+01 2.813619403e+01 3.664860987e+01 1.895870514e+01 2.848341137e+01 1.34 3.658675403e+01 2.479777227e+01 3.496933898e+01 3.658545730e+01 3.658936943e+01 1.782735949e+01 2.630662819e+01 3.595062882e+01 1.745705043e+01 2.668659848e+01 1.36 3.643564031e+01 2.300073205e+01 3.331688627e+01 3.642720461e+01 3.642736465e+01 1.656661702e+01 2.452934626e+01 3.436199806e+01 1.603678788e+01 2.493728704e+01 1.38 3.491314482e+01 2.126243965e+01 3.160935929e+01 3.490122536e+01 3.489842716e+01 1.537058800e+01 2.281250759e+01 3.269237454e+01 1.469542544e+01 2.324257857e+01 1.40 3.330015230e+01 1.959280905e+01 2.987213990e+01 3.328769362e+01 3.328417752e+01 1.423352808e+01 2.116038781e+01 3.097590970e+01 1.342972519e+01 2.161313931e+01 1.42 3.162982873e+01 1.799335765e+01 2.812223784e+01 3.162082716e+01 3.161866030e+01 1.314841111e+01 1.957657251e+01 2.923997361e+01 1.223817062e+01 2.005182414e+01 1.44 2.992877434e+01 1.646821106e+01 2.638385864e+01 2.992690281e+01 2.992698593e+01 1.211396399e+01 1.806319741e+01 2.750470888e+01 1.111721931e+01 1.856079881e+01 1.46 2.822027669e+01 1.502259642e+01 2.467492461e+01 2.822698568e+01 2.822933335e+01 1.112852889e+01 1.662371044e+01 2.579076594e+01 1.006701484e+01 1.713871985e+01 1.48 2.652957520e+01 1.365589857e+01 2.300996112e+01 2.654047623e+01 2.654456373e+01 1.019486969e+01 1.525673638e+01 2.411345342e+01 9.084325912e+00 1.578520445e+01 1.50 2.486825598e+01 1.236387547e+01 2.139668363e+01 2.488048231e+01 2.488634497e+01 9.312705487e+00 1.395894671e+01 2.248148283e+01 8.164787726e+00 1.449852266e+01 1.52 2.324699525e+01 1.114266413e+01 1.983674861e+01 2.325993863e+01 2.326767055e+01 8.477891674e+00 1.272880991e+01 2.090275590e+01 7.303288134e+00 1.327940123e+01 1.54 2.167215999e+01 9.994075017e+00 1.833745414e+01 2.168632826e+01 2.169566720e+01 7.687810775e+00 1.156422658e+01 1.938293641e+01 6.497155880e+00 1.212556660e+01 1.56 2.015434010e+01 8.917058838e+00 1.690760518e+01 2.016681105e+01 2.017630483e+01 6.943037439e+00 1.046290979e+01 1.792579966e+01 5.742130901e+00 1.104069575e+01 1.58 1.869482111e+01 7.906851372e+00 1.554643393e+01 1.870396295e+01 1.871188974e+01 6.240833168e+00 9.425387127e+00 1.653335989e+01 5.033978956e+00 1.002101123e+01 1.60 1.729506682e+01 6.959271284e+00 1.425315733e+01 1.729934162e+01 1.730412654e+01 5.579612264e+00 8.451085640e+00 1.520457121e+01 4.371591987e+00 9.063173524e+00 1.62 1.595398587e+01 6.072966445e+00 1.302533904e+01 1.595416858e+01 1.595624241e+01 4.957078868e+00 7.539160928e+00 1.393722380e+01 3.753724602e+00 8.163140990e+00 1.64 1.467231610e+01 5.248366516e+00 1.185950985e+01 1.466955326e+01 1.466927011e+01 4.370644354e+00 6.686252249e+00 1.273237419e+01 3.177223937e+00 7.316533007e+00 1.66 1.345474129e+01 4.481699198e+00 1.075359500e+01 1.344709093e+01 1.344435073e+01 3.817744921e+00 5.888755074e+00 1.158938717e+01 2.639418605e+00 6.518877940e+00 1.68 1.229877441e+01 3.768577805e+00 9.708932174e+00 1.228698894e+01 1.228248937e+01 3.296811653e+00 5.142594235e+00 1.050585890e+01 2.137680396e+00 5.765584334e+00 1.70 1.120121597e+01 3.104552796e+00 8.724728091e+00 1.118691596e+01 1.118143473e+01 2.806901699e+00 4.444369395e+00 9.479385453e+00 1.670210365e+00 5.056202923e+00 1.72 1.015839803e+01 2.485431820e+00 7.797140484e+00 1.014444733e+01 1.013885651e+01 2.345741604e+00 3.792770355e+00 8.508276139e+00 1.235960294e+00 4.392368315e+00 1.74 9.166208182e+00 1.910806345e+00 6.923813712e+00 9.157390903e+00 9.152681135e+00 1.912594246e+00 3.184563390e+00 7.590768247e+00 8.326856985e-01 3.770596564e+00 1.76 8.224103727e+00 1.380534305e+00 6.103822396e+00 8.223582998e+00 8.220556639e+00 1.508344526e+00 2.617130011e+00 6.726026335e+00 4.577262327e-01 3.188681287e+00 1.78 7.337727500e+00 8.922127089e-01 5.333367067e+00 7.343311490e+00 7.342060331e+00 1.131281776e+00 2.088228067e+00 5.914858843e+00 1.100262782e-01 2.646597976e+00 1.80 6.504109656e+00 4.425355066e-01 4.608468873e+00 6.513356732e+00 6.513974698e+00 7.796579018e-01 1.595791630e+00 5.153838166e+00 -2.113497790e-01 2.141663381e+00 1.82 5.719896759e+00 2.823210778e-02 3.925072218e+00 5.731743013e+00 5.734340931e+00 4.517006952e-01 1.137027950e+00 4.441165537e+00 -5.079606920e-01 1.671159343e+00 1.84 4.984436440e+00 -3.530421714e-01 3.282421500e+00 4.996644959e+00 5.000652976e+00 1.456025622e-01 7.108418634e-01 3.774550003e+00 -7.815490857e-01 1.233312287e+00 1.86 4.295933710e+00 -7.038945409e-01 2.681638805e+00 4.306526257e+00 4.311378345e+00 -1.389268783e-01 3.177925178e-01 3.150964080e+00 -1.033162545e+00 8.260501286e-01 1.88 3.651287361e+00 -1.025947398e+00 2.124338164e+00 3.660083177e+00 3.665788604e+00 -4.010963613e-01 -4.409788530e-02 2.569183860e+00 -1.262858636e+00 4.469085409e-01 1.90 3.047404280e+00 -1.319473618e+00 1.607732839e+00 3.054947983e+00 3.061525846e+00 -6.422512837e-01 -3.770921959e-01 2.027378924e+00 -1.471937114e+00 9.346238845e-02 1.92 2.483608802e+00 -1.585404865e+00 1.129080520e+00 2.489670759e+00 2.496842182e+00 -8.637298504e-01 -6.833907955e-01 1.523846635e+00 -1.662044746e+00 -2.343483593e-01 1.94 1.958456201e+00 -1.825593002e+00 6.861188671e-01 1.962295748e+00 1.969573723e+00 -1.066446872e+00 -9.651474850e-01 1.056282317e+00 -1.834705211e+00 -5.372745274e-01 1.96 1.469246989e+00 -2.042121661e+00 2.776354269e-01 1.470253132e+00 1.477090354e+00 -1.250299395e+00 -1.224468153e+00 6.219838891e-01 -1.990646021e+00 -8.172940433e-01 1.98 1.013289224e+00 -2.237005262e+00 -9.863325391e-02 1.011905888e+00 1.017681402e+00 -1.416216670e+00 -1.462673985e+00 2.185746412e-01 -2.130282945e+00 -1.076381069e+00 2.00 5.883578208e-01 -2.412200814e+00 -4.449683771e-01 5.855174330e-01 5.895209493e-01 -1.565155296e+00 -1.680819208e+00 -1.554312900e-01 -2.254251732e+00 -1.316071900e+00 2.02 1.944850484e-01 -2.569620796e+00 -7.635927884e-01 1.898866568e-01 1.913059328e-01 -1.698020279e+00 -1.880442920e+00 -5.007277128e-01 -2.363172443e+00 -1.535690186e+00 2.04 -1.702339835e-01 -2.711146776e+00 -1.056680761e+00 -1.766053265e-01 -1.781612026e-01 -1.816447211e+00 -2.063245961e+00 -8.192701830e-01 -2.457785265e+00 -1.736448522e+00 2.06 -5.080376409e-01 -2.837585237e+00 -1.326369407e+00 -5.150761834e-01 -5.189327218e-01 -1.921916157e+00 -2.229339489e+00 -1.112478115e+00 -2.539038371e+00 -1.919905289e+00 2.08 -8.211472640e-01 -2.949107665e+00 -1.574771774e+00 -8.275986880e-01 -8.329991300e-01 -2.015456755e+00 -2.379447213e+00 -1.382128992e+00 -2.607815085e+00 -2.087615839e+00 2.10 -1.111741455e+00 -3.046589814e+00 -1.803957699e+00 -1.116212337e+00 -1.122326789e+00 -2.098086425e+00 -2.515004589e+00 -1.629978255e+00 -2.664968408e+00 -2.241114223e+00 2.12 -1.379112125e+00 -3.130721419e+00 -2.013442900e+00 -1.381488760e+00 -1.387881499e+00 -2.169518073e+00 -2.637043040e+00 -1.855911914e+00 -2.711874123e+00 -2.379574416e+00 2.14 -1.623347625e+00 -3.202369626e+00 -2.203434050e+00 -1.624377246e+00 -1.630860482e+00 -2.229791153e+00 -2.746003944e+00 -2.061050425e+00 -2.749107180e+00 -2.502798581e+00 2.16 -1.846051924e+00 -3.262673673e+00 -2.375481579e+00 -1.846568764e+00 -1.852936847e+00 -2.279599788e+00 -2.842920270e+00 -2.246956898e+00 -2.777416802e+00 -2.611845196e+00 2.18 -2.048775443e+00 -3.312726181e+00 -2.531093099e+00 -2.049718304e+00 -2.055743754e+00 -2.319589700e+00 -2.928176089e+00 -2.415146643e+00 -2.797482196e+00 -2.707731800e+00 2.20 -2.233021019e+00 -3.353579546e+00 -2.671741956e+00 -2.234691357e+00 -2.240120210e+00 -2.350372209e+00 -3.002376029e+00 -2.567094342e+00 -2.809448450e+00 -2.791436681e+00 2.22 -2.400247262e+00 -3.386246551e+00 -2.798863910e+00 -2.402295306e+00 -2.406843248e+00 -2.374428027e+00 -3.065795201e+00 -2.704239726e+00 -2.813776683e+00 -2.863894397e+00 2.24 -2.551686371e+00 -3.411329044e+00 -2.913114499e+00 -2.553819695e+00 -2.557261932e+00 -2.393014445e+00 -3.118384273e+00 -2.827870430e+00 -2.810986551e+00 -2.925619421e+00 2.26 -2.688229896e+00 -3.428775102e+00 -3.013885545e+00 -2.690363056e+00 -2.692684135e+00 -2.404929018e+00 -3.160733114e+00 -2.939049121e+00 -2.801543280e+00 -2.976457105e+00 2.28 -2.811155956e+00 -3.439329278e+00 -3.102190554e+00 -2.813199534e+00 -2.814382610e+00 -2.410662489e+00 -3.193518433e+00 -3.039102628e+00 -2.785857116e+00 -3.017026579e+00 2.30 -2.921728841e+00 -3.443825005e+00 -3.179044663e+00 -2.923581932e+00 -2.923601540e+00 -2.410715495e+00 -3.217361820e+00 -3.129052361e+00 -2.764812438e+00 -3.047912114e+00 2.32 -3.021195451e+00 -3.442857086e+00 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