# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2008--Kim-Y-M-Lee-B-J--Cu-Zr # implementation = 2008--Kim-Y-M--Cu-Zr--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Cu Cu Cu Zr Zr Zr 0.02 1.066119302e+03 3.695092309e+02 2.818972940e+02 0.04 1.004671343e+03 3.579324074e+02 2.716522167e+02 0.06 9.466267788e+02 3.464683228e+02 2.617570207e+02 0.08 8.918022674e+02 3.351390356e+02 2.522002364e+02 0.10 8.400241260e+02 3.239639580e+02 2.429707593e+02 0.12 7.911278290e+02 3.129600709e+02 2.340578392e+02 0.14 7.449575363e+02 3.021421236e+02 2.254510687e+02 0.16 7.013656435e+02 2.915228193e+02 2.171403726e+02 0.18 6.602123541e+02 2.811129883e+02 2.091159976e+02 0.20 6.213652762e+02 2.709217477e+02 2.013685021e+02 0.22 5.846990374e+02 2.609566504e+02 1.938887468e+02 0.24 5.500949198e+02 2.512238234e+02 1.866678846e+02 0.26 5.174405148e+02 2.417280958e+02 1.796973520e+02 0.28 4.866293939e+02 2.324731172e+02 1.729688601e+02 0.30 4.575607973e+02 2.234614677e+02 1.664743857e+02 0.32 4.301393385e+02 2.146947600e+02 1.602061634e+02 0.34 4.042747234e+02 2.061737331e+02 1.541566771e+02 0.36 3.798814842e+02 1.978983396e+02 1.483186526e+02 0.38 3.568787272e+02 1.898678256e+02 1.426850494e+02 0.40 3.351898926e+02 1.820808058e+02 1.372490541e+02 0.42 3.147425278e+02 1.745353307e+02 1.320040726e+02 0.44 2.954680719e+02 1.672289509e+02 1.269437235e+02 0.46 2.773016506e+02 1.601587741e+02 1.220618314e+02 0.48 2.601818831e+02 1.533215191e+02 1.173524204e+02 0.50 2.440506976e+02 1.467135648e+02 1.128097078e+02 0.52 2.288531569e+02 1.403309949e+02 1.084280979e+02 0.54 2.145372936e+02 1.341696397e+02 1.042021762e+02 0.56 2.010539522e+02 1.282251132e+02 1.001267037e+02 0.58 1.883566414e+02 1.224928484e+02 9.619661133e+01 0.60 1.764013925e+02 1.169681283e+02 9.240699441e+01 0.62 1.651466258e+02 1.116461150e+02 8.875310774e+01 0.64 1.545530237e+02 1.065218757e+02 8.523036035e+01 0.66 1.445834110e+02 1.015904067e+02 8.183431069e+01 0.68 1.352026404e+02 9.684665460e+01 7.856066182e+01 0.70 1.263774848e+02 9.228553630e+01 7.540525692e+01 0.72 1.180765349e+02 8.790195624e+01 7.236407476e+01 0.74 1.102701022e+02 8.369082242e+01 6.943322542e+01 0.76 1.029301271e+02 7.964706063e+01 6.660894614e+01 0.78 9.603009145e+01 7.576562715e+01 6.388759724e+01 0.80 8.954493648e+01 7.204152016e+01 6.126565821e+01 0.82 8.345098414e+01 6.846978978e+01 5.873972393e+01 0.84 7.772586305e+01 6.504554699e+01 5.630650096e+01 0.86 7.234843837e+01 6.176397150e+01 5.396280400e+01 0.88 6.729874513e+01 5.862031854e+01 5.170555246e+01 0.90 6.255792514e+01 5.560992483e+01 4.953176704e+01 0.92 5.810816744e+01 5.272821366e+01 4.743856657e+01 0.94 5.393265149e+01 4.997069922e+01 4.542316483e+01 0.96 5.001549372e+01 4.733299025e+01 4.348286752e+01 0.98 4.634169677e+01 4.481079304e+01 4.161506931e+01 1.00 4.289710130e+01 4.239991383e+01 3.981725098e+01 1.02 3.966834061e+01 4.009626070e+01 3.808697666e+01 1.04 3.664279743e+01 3.789584499e+01 3.642189117e+01 1.06 3.380856312e+01 3.579478226e+01 3.481971740e+01 1.08 3.115439904e+01 3.378929286e+01 3.327825381e+01 1.10 2.866969995e+01 3.187570216e+01 3.179537199e+01 1.12 2.634445932e+01 3.005044043e+01 3.036901429e+01 1.14 2.416923663e+01 2.831004247e+01 2.899719158e+01 1.16 2.213512621e+01 2.665114694e+01 2.767798099e+01 1.18 2.023372794e+01 2.507049553e+01 2.640952378e+01 1.20 1.845711945e+01 2.356493180e+01 2.519002328e+01 1.22 1.679782971e+01 2.213139998e+01 2.401774287e+01 1.24 1.524881423e+01 2.076694353e+01 2.289100402e+01 1.26 1.380343143e+01 1.946870356e+01 2.180818441e+01 1.28 1.245542034e+01 1.823391715e+01 2.076771611e+01 1.30 1.119887957e+01 1.705991559e+01 1.976808383e+01 1.32 1.002824727e+01 1.594412241e+01 1.880782314e+01 1.34 8.938282277e+00 1.488405151e+01 1.788551889e+01 1.36 7.924046277e+00 1.387730500e+01 1.699980354e+01 1.38 6.980886890e+00 1.292157121e+01 1.614935563e+01 1.40 6.104421694e+00 1.201462240e+01 1.533289826e+01 1.42 5.290523137e+00 1.115431262e+01 1.454919766e+01 1.44 4.535304217e+00 1.033857538e+01 1.379706171e+01 1.46 3.835104999e+00 9.565421329e+00 1.307533863e+01 1.48 3.186479839e+00 8.832935876e+00 1.238291563e+01 1.50 2.586185292e+00 8.139276750e+00 1.171871762e+01 1.52 2.031168731e+00 7.482671528e+00 1.108170594e+01 1.54 1.518557540e+00 6.861415104e+00 1.047087721e+01 1.56 1.045648922e+00 6.273867120e+00 9.885262108e+00 1.58 6.099002949e-01 5.718449383e+00 9.323924264e+00 1.60 2.089201677e-01 5.193643227e+00 8.785959149e+00 1.62 -1.595404362e-01 4.697986894e+00 8.270493013e+00 1.64 -4.975960863e-01 4.230072908e+00 7.776681861e+00 1.66 -8.072346229e-01 3.788545476e+00 7.303710445e+00 1.68 -1.090324378e+00 3.372097946e+00 6.850791304e+00 1.70 -1.348621011e+00 2.979470340e+00 6.417163820e+00 1.72 -1.583773966e+00 2.609446984e+00 6.002093309e+00 1.74 -1.797332554e+00 2.260854287e+00 5.604870146e+00 1.76 -1.990751715e+00 1.932558669e+00 5.224808902e+00 1.78 -2.165397461e+00 1.623464684e+00 4.861247521e+00 1.80 -2.322551998e+00 1.332513376e+00 4.513546518e+00 1.82 -2.463418601e+00 1.058680864e+00 4.181088194e+00 1.84 -2.589126199e+00 8.009771991e-01 3.863275888e+00 1.86 -2.700733716e+00 5.584455213e-01 3.559533242e+00 1.88 -2.799234188e+00 3.301615001e-01 3.269303486e+00 1.90 -2.885558643e+00 1.152331067e-01 2.992048757e+00 1.92 -2.960579784e+00 -8.719929737e-02 2.727249423e+00 1.94 -3.025115464e+00 -2.779625468e-01 2.474403436e+00 1.96 -3.079931975e+00 -4.578499234e-01 2.233025705e+00 1.98 -3.125747156e+00 -6.276200945e-01 2.002647480e+00 2.00 -3.163233334e+00 -7.879957397e-01 1.782815757e+00 2.02 -3.193020083e+00 -9.396618847e-01 1.573092708e+00 2.04 -3.215696845e+00 -1.083263983e+00 1.373055115e+00 2.06 -3.231815382e+00 -1.219405778e+00 1.182293827e+00 2.08 -3.241892089e+00 -1.348647000e+00 1.000413235e+00 2.10 -3.246410168e+00 -1.471500997e+00 8.270307533e-01 2.12 -3.245821660e+00 -1.588432366e+00 6.617763262e-01 2.14 -3.240549352e+00 -1.699854733e+00 5.042919422e-01 2.16 -3.230988569e+00 -1.806128828e+00 3.542311635e-01 2.18 -3.217508833e+00 -1.907561006e+00 2.112586722e-01 2.20 -3.200455427e+00 -2.004402439e+00 7.504982718e-02 2.22 -3.180150852e+00 -2.096849158e+00 -5.470976413e-02 2.24 -3.156896181e+00 -2.185043151e+00 -1.783246587e-01 2.26 -3.130972333e+00 -2.269074700e+00 -2.960899796e-01 2.28 -3.102641259e+00 -2.348986088e+00 -4.082918016e-01 2.30 -3.072147051e+00 -2.424776733e+00 -5.152075218e-01 2.32 -3.039716986e+00 -2.496409746e+00 -6.171062174e-01 2.34 -3.005562503e+00 -2.563819737e+00 -7.142489847e-01 2.36 -2.969880120e+00 -2.626921644e+00 -8.068892624e-01 2.38 -2.932852305e+00 -2.685620195e+00 -8.952731378e-01 2.40 -2.894648295e+00 -2.739819540e+00 -9.796396308e-01 2.42 -2.855424874e+00 -2.789432523e+00 -1.060220959e+00 2.44 -2.815327112e+00 -2.834389093e+00 -1.137242779e+00 2.46 -2.774489064e+00 -2.874643349e+00 -1.210924399e+00 2.48 -2.733034443e+00 -2.910178884e+00 -1.281478968e+00 2.50 -2.691077258e+00 -2.941012196e+00 -1.349113626e+00 2.52 -2.648722425e+00 -2.967194112e+00 -1.414029626e+00 2.54 -2.606066348e+00 -2.988809354e+00 -1.476422411e+00 2.56 -2.563197478e+00 -3.005974493e+00 -1.536481646e+00 2.58 -2.520196842e+00 -3.018834629e+00 -1.594391206e+00 2.60 -2.477138553e+00 -3.027559216e+00 -1.650329099e+00 2.62 -2.434090290e+00 -3.032337406e+00 -1.704467338e+00 2.64 -2.391113758e+00 -3.033373268e+00 -1.756971737e+00 2.66 -2.348265121e+00 -3.030881179e+00 -1.808001635e+00 2.68 -2.305595413e+00 -3.025081581e+00 -1.857709541e+00 2.70 -2.263150925e+00 -3.016197236e+00 -1.906240686e+00 2.72 -2.220973570e+00 -3.004450044e+00 -1.953732487e+00 2.74 -2.179101221e+00 -2.990058430e+00 -2.000313909e+00 2.76 -2.137568031e+00 -2.973235269e+00 -2.046104727e+00 2.78 -2.096404727e+00 -2.954186298e+00 -2.091214683e+00 2.80 -2.055638885e+00 -2.933108949e+00 -2.135742550e+00 2.82 -2.015295184e+00 -2.910191542e+00 -2.179775094e+00 2.84 -1.975395634e+00 -2.885612775e+00 -2.223385959e+00 2.86 -1.935959798e+00 -2.859541440e+00 -2.266634487e+00 2.88 -1.897004982e+00 -2.832136348e+00 -2.309564503e+00 2.90 -1.858546414e+00 -2.803546383e+00 -2.352203089e+00 2.92 -1.820597413e+00 -2.773910684e+00 -2.394559407e+00 2.94 -1.783169529e+00 -2.743358905e+00 -2.436623608e+00 2.96 -1.746272688e+00 -2.712011544e+00 -2.478365907e+00 2.98 -1.709915307e+00 -2.679980313e+00 -2.519735875e+00 3.00 -1.674104413e+00 -2.647368542e+00 -2.560662058e+00 3.02 -1.638845741e+00 -2.614271603e+00 -2.601051970e+00 3.04 -1.604143831e+00 -2.580777338e+00 -2.640792576e+00 3.06 -1.570002114e+00 -2.546966493e+00 -2.679751312e+00 3.08 -1.536422990e+00 -2.512913148e+00 -2.717777719e+00 3.10 -1.503407905e+00 -2.478685137e+00 -2.754705723e+00 3.12 -1.470957416e+00 -2.444344460e+00 -2.790356561e+00 3.14 -1.439071257e+00 -2.409947672e+00 -2.824542338e+00 3.16 -1.407748400e+00 -2.375546265e+00 -2.857070120e+00 3.18 -1.376987113e+00 -2.341187028e+00 -2.887746459e+00 3.20 -1.346785008e+00 -2.306912386e+00 -2.916382193e+00 3.22 -1.317139101e+00 -2.272760728e+00 -2.942797314e+00 3.24 -1.288045852e+00 -2.238766710e+00 -2.966825702e+00 3.26 -1.259501216e+00 -2.204961540e+00 -2.988319500e+00 3.28 -1.231500687e+00 -2.171373251e+00 -3.007152928e+00 3.30 -1.204039338e+00 -2.138026945e+00 -3.023225352e+00 3.32 -1.177111863e+00 -2.104945037e+00 -3.036463489e+00 3.34 -1.150712612e+00 -2.072147466e+00 -3.046822667e+00 3.36 -1.124835632e+00 -2.039651901e+00 -3.054287135e+00 3.38 -1.099474695e+00 -2.007473930e+00 -3.058869452e+00 3.40 -1.074623335e+00 -1.975627236e+00 -3.060609078e+00 3.42 -1.050274876e+00 -1.944123756e+00 -3.059570269e+00 3.44 -1.026422459e+00 -1.912973837e+00 -3.055839454e+00 3.46 -1.003059072e+00 -1.882186367e+00 -3.049522240e+00 3.48 -9.801775716e-01 -1.851768910e+00 -3.040740218e+00 3.50 -9.577707074e-01 -1.821727820e+00 -3.029627692e+00 3.52 -9.358311423e-01 -1.792068350e+00 -3.016328482e+00 3.54 -9.143514721e-01 -1.762794754e+00 -3.000992865e+00 3.56 -8.933242436e-01 -1.733910376e+00 -2.983774762e+00 3.58 -8.727419707e-01 -1.705417734e+00 -2.964829193e+00 3.60 -8.525971495e-01 -1.677318601e+00 -2.944310045e+00 3.62 -8.328822717e-01 -1.649614069e+00 -2.922368168e+00 3.64 -8.135898370e-01 -1.622304619e+00 -2.899149791e+00 3.66 -7.947123644e-01 -1.595390178e+00 -2.874795249e+00 3.68 -7.762424018e-01 -1.568870170e+00 -2.849438006e+00 3.70 -7.581725358e-01 -1.542743568e+00 -2.823203945e+00 3.72 -7.404953990e-01 -1.517008937e+00 -2.796210899e+00 3.74 -7.232036779e-01 -1.491664475e+00 -2.768568397e+00 3.76 -7.062901193e-01 -1.466708050e+00 -2.740377582e+00 3.78 -6.897475359e-01 -1.442137229e+00 -2.711731290e+00 3.80 -6.735688117e-01 -1.417949317e+00 -2.682714247e+00 3.82 -6.577469063e-01 -1.394141377e+00 -2.653403365e+00 3.84 -6.422748591e-01 -1.370710256e+00 -2.623868110e+00 3.86 -6.271457928e-01 -1.347652613e+00 -2.594170928e+00 3.88 -6.123529164e-01 -1.324964933e+00 -2.564367701e+00 3.90 -5.978895280e-01 -1.302643551e+00 -2.534508221e+00 3.92 -5.837490168e-01 -1.280684665e+00 -2.504636676e+00 3.94 -5.699248650e-01 -1.259084357e+00 -2.474792131e+00 3.96 -5.564106500e-01 -1.237838602e+00 -2.445008990e+00 3.98 -5.432000448e-01 -1.216943283e+00 -2.415317452e+00 4.00 -5.302868199e-01 -1.196394207e+00 -2.385743927e+00 4.02 -5.176648434e-01 -1.176187109e+00 -2.356311443e+00 4.04 -5.053280820e-01 -1.156317669e+00 -2.327040015e+00 4.06 -4.932706015e-01 -1.136781515e+00 -2.297946981e+00 4.08 -4.814865663e-01 -1.117574239e+00 -2.269047322e+00 4.10 -4.699702403e-01 -1.098691397e+00 -2.240353938e+00 4.12 -4.587159861e-01 -1.080128524e+00 -2.211877905e+00 4.14 -4.477182650e-01 -1.061881136e+00 -2.183628704e+00 4.16 -4.369716367e-01 -1.043944738e+00 -2.155614423e+00 4.18 -4.264707584e-01 -1.026314828e+00 -2.127841935e+00 4.20 -4.162103846e-01 -1.008986905e+00 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