# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2015--Wilson-S-R-Mendelev-M-I--Ni-Zr # implementation = EAM_Dynamo_WilsonMendelev_2015_NiZr__MO_306032198193_000 # 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 Ni Ni Ni Zr Zr Zr 0.02 nan nan nan 0.04 nan nan nan 0.06 nan nan nan 0.08 nan nan nan 0.10 nan nan nan 0.12 3.655547787e+04 4.976084600e+04 6.798090275e+04 0.14 2.772636954e+04 3.752554226e+04 5.099374028e+04 0.16 2.156701070e+04 2.902769176e+04 3.924512304e+04 0.18 1.710853995e+04 2.290422054e+04 3.081542675e+04 0.20 1.378815672e+04 1.836471013e+04 2.459326857e+04 0.22 1.125884329e+04 1.492261149e+04 1.989564502e+04 0.24 9.296297980e+03 1.226400418e+04 1.628270357e+04 0.26 7.749921624e+03 1.017855679e+04 1.346037960e+04 0.28 6.515405279e+03 8.520940265e+03 1.122600159e+04 0.30 5.518613330e+03 7.188150442e+03 9.436331092e+03 0.32 4.705700830e+03 6.105606092e+03 7.987976134e+03 0.34 4.036833178e+03 5.218316445e+03 6.804953526e+03 0.36 3.482070469e+03 4.485095783e+03 5.830548828e+03 0.38 3.018598076e+03 3.874673426e+03 5.021849857e+03 0.40 2.628819003e+03 3.363018387e+03 4.345993176e+03 0.42 2.299013477e+03 2.931462925e+03 3.777536638e+03 0.44 2.018380529e+03 2.565363628e+03 3.296588892e+03 0.46 1.778342011e+03 2.253131469e+03 2.887457830e+03 0.48 1.572030228e+03 1.985519645e+03 2.537660995e+03 0.50 1.393906038e+03 1.755094364e+03 2.237192366e+03 0.52 1.239470987e+03 1.555837290e+03 1.977973237e+03 0.54 1.105048268e+03 1.382843955e+03 1.753436923e+03 0.56 9.876145672e+02 1.232092883e+03 1.558211862e+03 0.58 8.846698365e+02 1.100267410e+03 1.387877767e+03 0.60 7.941356827e+02 9.846170802e+02 1.238776564e+03 0.62 7.142755051e+02 8.828490888e+02 1.107864715e+03 0.64 6.436313179e+02 7.930426675e+02 9.925971160e+02 0.66 5.809734599e+02 7.135811492e+02 8.908352082e+02 0.68 5.252603375e+02 6.430977371e+02 8.007738227e+02 0.70 4.756060192e+02 5.804319706e+02 7.208826001e+02 0.72 4.312539983e+02 5.245945963e+02 6.498588187e+02 0.74 3.915558512e+02 4.747390683e+02 5.865892089e+02 0.76 3.559537974e+02 4.301383111e+02 5.301188859e+02 0.78 3.239663815e+02 3.901656860e+02 4.796259484e+02 0.80 2.951766690e+02 3.542793307e+02 4.344006135e+02 0.82 2.692224720e+02 3.220092179e+02 3.938279992e+02 0.84 2.457882235e+02 2.929464156e+02 3.573738549e+02 0.86 2.245981955e+02 2.667341376e+02 3.245726848e+02 0.88 2.054108185e+02 2.430602560e+02 2.950178232e+02 0.90 1.880139034e+02 2.216509661e+02 2.683531078e+02 0.92 1.722206116e+02 2.022654014e+02 2.442658678e+02 0.94 1.578660417e+02 1.846911565e+02 2.224809970e+02 0.96 1.448043305e+02 1.687405450e+02 2.027559272e+02 0.98 1.329061817e+02 1.542476421e+02 1.848763503e+02 1.00 1.220567518e+02 1.410656758e+02 1.686525620e+02 1.02 1.121849570e+02 1.289795453e+02 1.539764087e+02 1.04 1.032140352e+02 1.178203597e+02 1.407372170e+02 1.06 9.504167168e+01 1.075256677e+02 1.287747047e+02 1.08 8.757887121e+01 9.803590339e+01 1.179483498e+02 1.10 8.074806983e+01 8.929439759e+01 1.081347487e+02 1.12 7.448153818e+01 8.124742594e+01 9.922535040e+01 1.14 6.872002890e+01 7.384437584e+01 9.112451246e+01 1.16 6.341162778e+01 6.703774146e+01 8.374783002e+01 1.18 5.851077537e+01 6.078301560e+01 7.702069749e+01 1.20 5.397743149e+01 5.503857235e+01 7.087706800e+01 1.22 4.977635985e+01 4.976554454e+01 6.525838199e+01 1.24 4.587651368e+01 4.492769773e+01 6.011264019e+01 1.26 4.225050672e+01 4.049130229e+01 5.539360043e+01 1.28 3.887415618e+01 3.642500458e+01 5.106008040e+01 1.30 3.572608683e+01 3.269968613e+01 4.707535174e+01 1.32 3.278738676e+01 2.928830650e+01 4.340661241e+01 1.34 3.004130729e+01 2.616577679e+01 4.002452677e+01 1.36 2.747300027e+01 2.330884564e+01 3.690282393e+01 1.38 2.506928756e+01 2.069598822e+01 3.401794652e+01 1.40 2.281845787e+01 1.830729862e+01 3.134874314e+01 1.42 2.071008720e+01 1.612438607e+01 2.887619865e+01 1.44 1.873487972e+01 1.413027531e+01 2.658319729e+01 1.46 1.688452618e+01 1.230931120e+01 2.445431436e+01 1.48 1.515157782e+01 1.064706796e+01 2.247563278e+01 1.50 1.352933368e+01 9.130263791e+00 2.063458136e+01 1.52 1.201173995e+01 7.746682841e+00 1.891979192e+01 1.54 1.059329980e+01 6.485098848e+00 1.732097302e+01 1.56 9.268992957e+00 5.335201705e+00 1.582879815e+01 1.58 8.034203762e+00 4.287528433e+00 1.443480658e+01 1.60 6.884657337e+00 3.333398494e+00 1.313131542e+01 1.62 5.816363002e+00 2.464853293e+00 1.191134137e+01 1.64 4.825564559e+00 1.674599704e+00 1.076853117e+01 1.66 3.908696987e+00 9.559574506e-01 9.697099547e+00 1.68 3.062349169e+00 3.028101638e-01 8.691773902e+00 1.70 2.283232315e+00 -2.904400753e-01 7.747744881e+00 1.72 1.568153763e+00 -8.289148878e-01 6.860622143e+00 1.74 9.139958426e-01 -1.317298630e+00 6.026394757e+00 1.76 3.176994932e-01 -1.759874496e+00 5.241395680e+00 1.78 -2.237477060e-01 -2.160557857e+00 4.502269848e+00 1.80 -7.133194333e-01 -2.522927029e+00 3.805945488e+00 1.82 -1.153954825e+00 -2.850251621e+00 3.149608282e+00 1.84 -1.548559372e+00 -3.145518642e+00 2.530678068e+00 1.86 -1.900002934e+00 -3.411456501e+00 1.946787800e+00 1.88 -2.211115307e+00 -3.650557073e+00 1.395764528e+00 1.90 -2.484679786e+00 -3.865095954e+00 8.756121636e-01 1.92 -2.709249397e+00 -4.057151040e+00 3.844958602e-01 1.94 -2.880434207e+00 -4.228619565e+00 -7.927217767e-02 1.96 -3.009704628e+00 -4.381233702e+00 -5.172455997e-01 1.98 -3.106348986e+00 -4.516574847e+00 -9.308556636e-01 2.00 -3.177809578e+00 -4.636086691e+00 -1.321421956e+00 2.02 -3.229979909e+00 -4.741087162e+00 -1.690162182e+00 2.04 -3.267466121e+00 -4.832779344e+00 -2.038201124e+00 2.06 -3.293815442e+00 -4.912261447e+00 -2.366578836e+00 2.08 -3.311714446e+00 -4.980535906e+00 -2.676258164e+00 2.10 -3.323159721e+00 -5.038517681e+00 -2.968131643e+00 2.12 -3.329603503e+00 -5.087041823e+00 -3.243027835e+00 2.14 -3.332076656e+00 -5.126870374e+00 -3.501717150e+00 2.16 -3.331291320e+00 -5.158698640e+00 -3.744917209e+00 2.18 -3.327725381e+00 -5.183160915e+00 -3.973297768e+00 2.20 -3.321690849e+00 -5.200835673e+00 -4.187485256e+00 2.22 -3.313388090e+00 -5.212250296e+00 -4.388066945e+00 2.24 -3.302947748e+00 -5.217885365e+00 -4.575594790e+00 2.26 -3.290462086e+00 -5.218178551e+00 -4.750588947e+00 2.28 -3.276007352e+00 -5.213528147e+00 -4.913541011e+00 2.30 -3.259658673e+00 -5.204296307e+00 -5.064916454e+00 2.32 -3.241498845e+00 -5.191801265e+00 -5.195348690e+00 2.34 -3.221622312e+00 -5.177269373e+00 -5.298475954e+00 2.36 -3.200135457e+00 -5.160880919e+00 -5.378768983e+00 2.38 -3.177154272e+00 -5.142794018e+00 -5.440096279e+00 2.40 -3.152800317e+00 -5.123146863e+00 -5.485785616e+00 2.42 -3.127195784e+00 -5.102059858e+00 -5.518680675e+00 2.44 -3.100458368e+00 -5.079637602e+00 -5.541193549e+00 2.46 -3.072696522e+00 -5.055970721e+00 -5.555353272e+00 2.48 -3.044005567e+00 -5.031137555e+00 -5.562850580e+00 2.50 -3.014465022e+00 -5.005205717e+00 -5.565079072e+00 2.52 -2.984137375e+00 -4.978233521e+00 -5.563172951e+00 2.54 -2.953068450e+00 -4.950271286e+00 -5.558041512e+00 2.56 -2.921289351e+00 -4.921362523e+00 -5.550400559e+00 2.58 -2.888819919e+00 -4.891545018e+00 -5.540800891e+00 2.60 -2.855673455e+00 -4.860851805e+00 -5.529654043e+00 2.62 -2.821862387e+00 -4.829312044e+00 -5.517255425e+00 2.64 -2.787404462e+00 -4.796951804e+00 -5.503805012e+00 2.66 -2.752328877e+00 -4.763794758e+00 -5.489425742e+00 2.68 -2.716681687e+00 -4.729862800e+00 -5.474179753e+00 2.70 -2.680529711e+00 -4.695176582e+00 -5.458082622e+00 2.72 -2.643962027e+00 -4.659755982e+00 -5.441115723e+00 2.74 -2.607088052e+00 -4.623620496e+00 -5.423236846e+00 2.76 -2.570031080e+00 -4.586789583e+00 -5.404389210e+00 2.78 -2.532916018e+00 -4.549282940e+00 -5.384508997e+00 2.80 -2.495849993e+00 -4.511120725e+00 -5.363531513e+00 2.82 -2.458897960e+00 -4.472323741e+00 -5.341396126e+00 2.84 -2.422091067e+00 -4.432913563e+00 -5.318050059e+00 2.86 -2.385453788e+00 -4.392912628e+00 -5.293451178e+00 2.88 -2.349007246e+00 -4.352344297e+00 -5.267569873e+00 2.90 -2.312769618e+00 -4.311232870e+00 -5.240390119e+00 2.92 -2.276756505e+00 -4.269603579e+00 -5.211909851e+00 2.94 -2.240981258e+00 -4.227482556e+00 -5.182140713e+00 2.96 -2.205455289e+00 -4.184896778e+00 -5.151107297e+00 2.98 -2.170188353e+00 -4.141873985e+00 -5.118845946e+00 3.00 -2.135188803e+00 -4.098442593e+00 -5.085403218e+00 3.02 -2.100463835e+00 -4.054631585e+00 -5.050834074e+00 3.04 -2.066019631e+00 -4.010470391e+00 -5.015199890e+00 3.06 -2.031861557e+00 -3.965988768e+00 -4.978566338e+00 3.08 -1.997994384e+00 -3.921216664e+00 -4.941001233e+00 3.10 -1.964422399e+00 -3.876184086e+00 -4.902572386e+00 3.12 -1.931149402e+00 -3.830920958e+00 -4.863345546e+00 3.14 -1.898178990e+00 -3.785456992e+00 -4.823382469e+00 3.16 -1.865514618e+00 -3.739821547e+00 -4.782739186e+00 3.18 -1.833159425e+00 -3.694043506e+00 -4.741464504e+00 3.20 -1.801116711e+00 -3.648151150e+00 -4.699598798e+00 3.22 -1.769389601e+00 -3.602172039e+00 -4.657173124e+00 3.24 -1.737981213e+00 -3.556132907e+00 -4.614208712e+00 3.26 -1.706894907e+00 -3.510059567e+00 -4.570716841e+00 3.28 -1.676133694e+00 -3.463976814e+00 -4.526699165e+00 3.30 -1.645701178e+00 -3.417908360e+00 -4.482148487e+00 3.32 -1.615600327e+00 -3.371876765e+00 -4.437050012e+00 3.34 -1.585834938e+00 -3.325903386e+00 -4.391383117e+00 3.36 -1.556407920e+00 -3.280008342e+00 -4.345123618e+00 3.38 -1.527323177e+00 -3.234210489e+00 -4.298246577e+00 3.40 -1.498583524e+00 -3.188527415e+00 -4.250729649e+00 3.42 -1.470192738e+00 -3.142975436e+00 -4.202556956e+00 3.44 -1.442153689e+00 -3.097569621e+00 -4.153723510e+00 3.46 -1.414469447e+00 -3.052323824e+00 -4.104240179e+00 3.48 -1.387143425e+00 -3.007250720e+00 -4.054139165e+00 3.50 -1.360177398e+00 -2.962361877e+00 -4.003480019e+00 3.52 -1.333574974e+00 -2.917667806e+00 -3.952353814e+00 3.54 -1.307337592e+00 -2.873178063e+00 -3.900863626e+00 3.56 -1.281466921e+00 -2.828901317e+00 -3.849101884e+00 3.58 -1.255966006e+00 -2.784845470e+00 -3.797149189e+00 3.60 -1.230834361e+00 -2.741017743e+00 -3.745075327e+00 3.62 -1.206073031e+00 -2.697424805e+00 -3.692940216e+00 3.64 -1.181684330e+00 -2.654072889e+00 -3.640794806e+00 3.66 -1.157665878e+00 -2.610967898e+00 -3.588681925e+00 3.68 -1.134017049e+00 -2.568115541e+00 -3.536637082e+00 3.70 -1.110739493e+00 -2.525521458e+00 -3.484689214e+00 3.72 -1.087830305e+00 -2.483191322e+00 -3.432861399e+00 3.74 -1.065285064e+00 -2.441130958e+00 -3.381171515e+00 3.76 -1.043103321e+00 -2.399346453e+00 -3.329632861e+00 3.78 -1.021285730e+00 -2.357844248e+00 -3.278254736e+00 3.80 -9.998236211e-01 -2.316631220e+00 -3.227042985e+00 3.82 -9.787112132e-01 -2.275714751e+00 -3.176000497e+00 3.84 -9.579472286e-01 -2.235102768e+00 -3.125127669e+00 3.86 -9.375320120e-01 -2.194803778e+00 -3.074422843e+00 3.88 -9.174563639e-01 -2.154826862e+00 -3.023882711e+00 3.90 -8.977050342e-01 -2.115181653e+00 -2.973502663e+00 3.92 -8.782763319e-01 -2.075878275e+00 -2.923277140e+00 3.94 -8.591702547e-01 -2.036927244e+00 -2.873199935e+00 3.96 -8.403880341e-01 -1.998339341e+00 -2.823264469e+00 3.98 -8.219144282e-01 -1.960125426e+00 -2.773464051e+00 4.00 -8.037152148e-01 -1.922296212e+00 -2.723792097e+00 4.02 -7.857950379e-01 -1.884861720e+00 -2.674242329e+00 4.04 -7.681603155e-01 -1.847828222e+00 -2.624808984e+00 4.06 -7.508176059e-01 -1.811196020e+00 -2.575486922e+00 4.08 -7.337734302e-01 -1.774960297e+00 -2.526271806e+00 4.10 -7.169690508e-01 -1.739112039e+00 -2.477160218e+00 4.12 -7.000554292e-01 -1.703638948e+00 -2.428149731e+00 4.14 -6.831752359e-01 -1.668526326e+00 -2.379239006e+00 4.16 -6.665257471e-01 -1.633757916e+00 -2.330427868e+00 4.18 -6.502660485e-01 -1.599316138e+00 -2.281717354e+00 4.20 -6.345221009e-01 -1.565182806e+00 -2.233109748e+00 4.22 -6.193912705e-01 -1.531340102e+00 -2.184608602e+00 4.24 -6.049463712e-01 -1.497770096e+00 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