# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2019--Fischer-F-Schmitz-G-Eich-S-M--Cu-Ni # implementation = 2019--Fischer-F--Cu-Ni--LAMMPS--ipr2 # 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 Ni Ni Ni 0.02 1.646491269e+04 2.079998149e+04 -4.831973040e-01 0.04 1.517858982e+04 1.917503467e+04 -2.507461796e-01 0.06 1.396713134e+04 1.764466146e+04 -2.793622612e-02 0.08 1.282813822e+04 1.620583119e+04 1.853760852e-01 0.10 1.175921138e+04 1.485551317e+04 3.893343564e-01 0.12 1.075795178e+04 1.359067671e+04 5.840822615e-01 0.14 9.821960364e+03 1.240829111e+04 7.697635447e-01 0.16 8.948838090e+03 1.130532566e+04 9.465220182e-01 0.18 8.136185910e+03 1.027874965e+04 1.114501560e+00 0.20 7.381604779e+03 9.325532380e+03 1.273846112e+00 0.22 6.682695655e+03 8.442643128e+03 1.424699679e+00 0.24 6.037059500e+03 7.627051193e+03 1.567206323e+00 0.26 5.442297273e+03 6.875725877e+03 1.701510167e+00 0.28 4.896009939e+03 6.185636498e+03 1.827755389e+00 0.30 4.395798462e+03 5.553752392e+03 1.946086219e+00 0.32 3.939263807e+03 4.977042921e+03 2.056646945e+00 0.34 3.524006941e+03 4.452477460e+03 2.159581902e+00 0.36 3.147628832e+03 3.977025390e+03 2.255035479e+00 0.38 2.807730447e+03 3.547656096e+03 2.343152112e+00 0.40 2.501912754e+03 3.161338967e+03 2.424076283e+00 0.42 2.227776723e+03 2.815043395e+03 2.497952521e+00 0.44 1.982923322e+03 2.505738778e+03 2.564925399e+00 0.46 1.764953520e+03 2.230394516e+03 2.625139533e+00 0.48 1.571468283e+03 1.985980017e+03 2.678739583e+00 0.50 1.400068582e+03 1.769464689e+03 2.725870251e+00 0.52 1.248359891e+03 1.577823646e+03 2.766676279e+00 0.54 1.114049475e+03 1.408160584e+03 2.801302449e+00 0.56 9.950868448e+02 1.257885219e+03 2.829893581e+00 0.58 8.896601901e+02 1.124708776e+03 2.852594532e+00 0.60 7.961694238e+02 1.006609914e+03 2.869550201e+00 0.62 7.132021893e+02 9.018044165e+02 2.880905520e+00 0.64 6.395125118e+02 8.087182649e+02 2.886805460e+00 0.66 5.740018569e+02 7.259637178e+02 2.887395026e+00 0.68 5.157023007e+02 6.523180503e+02 2.882819260e+00 0.70 4.637615745e+02 5.867046633e+02 2.873223238e+00 0.72 4.174297746e+02 5.281762957e+02 2.858752073e+00 0.74 3.760475500e+02 4.759000983e+02 2.839550911e+00 0.76 3.390356050e+02 4.291443602e+02 2.815764935e+00 0.78 3.058853672e+02 3.872667146e+02 2.787539361e+00 0.80 2.761506936e+02 3.497036594e+02 2.755019440e+00 0.82 2.494404965e+02 3.159612384e+02 2.718350457e+00 0.84 2.254121883e+02 2.856067586e+02 2.677677735e+00 0.86 2.037658527e+02 2.582614243e+02 2.633146627e+00 0.88 1.842390622e+02 2.335937889e+02 2.584902525e+00 0.90 1.666022699e+02 2.113139307e+02 2.533090855e+00 0.92 1.506547096e+02 1.911682741e+02 2.477857079e+00 0.94 1.362207511e+02 1.729349833e+02 2.419346695e+00 0.96 1.231466576e+02 1.564198660e+02 2.357705239e+00 0.98 1.112976998e+02 1.414527280e+02 2.293078284e+00 1.00 1.005555900e+02 1.278841319e+02 2.225611439e+00 1.02 9.081619788e+01 1.155825126e+02 2.155450353e+00 1.04 8.198751782e+01 1.044316106e+02 2.082740713e+00 1.06 7.398785994e+01 9.432818850e+01 2.007628246e+00 1.08 6.674423959e+01 8.517999835e+01 1.930258720e+00 1.10 6.019094361e+01 7.690397274e+01 1.850777942e+00 1.12 5.426825361e+01 6.942461443e+01 1.769331766e+00 1.14 4.892130903e+01 6.267256277e+01 1.686066085e+00 1.16 4.409909441e+01 5.658331718e+01 1.601126838e+00 1.18 3.975353717e+01 5.109610035e+01 1.514660008e+00 1.20 3.583870372e+01 4.615284581e+01 1.426811624e+00 1.22 3.231026707e+01 4.169752840e+01 1.337727765e+00 1.24 2.912689222e+01 3.767791743e+01 1.247554554e+00 1.26 2.625169082e+01 3.404741652e+01 1.156438167e+00 1.28 2.365189757e+01 3.076464598e+01 1.064524830e+00 1.30 2.129841737e+01 2.779285961e+01 9.719608213e-01 1.32 1.916542140e+01 2.509943336e+01 8.788924733e-01 1.34 1.722998669e+01 2.265541038e+01 7.854661737e-01 1.36 1.547177443e+01 2.043509488e+01 6.918283666e-01 1.38 1.387274281e+01 1.841568965e+01 5.981255540e-01 1.40 1.241689052e+01 1.657697241e+01 5.045042998e-01 1.42 1.109002775e+01 1.490100676e+01 4.111112301e-01 1.44 9.879571564e+00 1.337188399e+01 3.180930350e-01 1.46 8.774362997e+00 1.197549234e+01 2.255964698e-01 1.48 7.764503597e+00 1.069931077e+01 1.337683595e-01 1.50 6.841209230e+00 9.532224533e+00 4.275560101e-02 1.52 5.996679365e+00 8.464360063e+00 -4.729437572e-02 1.54 5.223980083e+00 7.486935767e+00 -1.362326436e-01 1.56 4.516939374e+00 6.592131669e+00 -2.239145754e-01 1.58 3.870053421e+00 5.772972206e+00 -3.102019853e-01 1.60 3.278402643e+00 5.023220376e+00 -3.949632095e-01 1.62 2.737576497e+00 4.337282942e+00 -4.780732021e-01 1.64 2.243606086e+00 3.710125447e+00 -5.594135952e-01 1.66 1.792903725e+00 3.137196050e+00 -6.388727611e-01 1.68 1.382208765e+00 2.614357224e+00 -7.163458698e-01 1.70 1.008538963e+00 2.137824437e+00 -7.917349358e-01 1.72 6.691468639e-01 1.704111171e+00 -8.649488438e-01 1.74 3.614806009e-01 1.309979518e+00 -9.359033728e-01 1.76 8.314872368e-02 9.523958129e-01 -1.004521230e+00 1.78 -1.681114357e-01 6.284907528e-01 -1.070732050e+00 1.80 -3.944621850e-01 3.355235579e-01 -1.134472382e+00 1.82 -5.979846514e-01 7.085780363e-02 -1.195685682e+00 1.84 -7.806313661e-01 -1.679786604e-01 -1.254322272e+00 1.86 -9.441765943e-01 -3.832309093e-01 -1.310339291e+00 1.88 -1.090228579e+00 -5.769323941e-01 -1.363700637e+00 1.90 -1.220246332e+00 -7.509261445e-01 -1.414376896e+00 1.92 -1.335554809e+00 -9.068838978e-01 -1.462345260e+00 1.94 -1.437358553e+00 -1.046323353e+00 -1.507589419e+00 1.96 -1.526754030e+00 -1.170623743e+00 -1.550099458e+00 1.98 -1.604740770e+00 -1.281039905e+00 -1.589871726e+00 2.00 -1.672231408e+00 -1.378714895e+00 -1.626908705e+00 2.02 -1.730060789e+00 -1.464691361e+00 -1.661218860e+00 2.04 -1.778994191e+00 -1.539921872e+00 -1.692816472e+00 2.06 -1.819734746e+00 -1.605278304e+00 -1.721721469e+00 2.08 -1.852930198e+00 -1.661560346e+00 -1.747959236e+00 2.10 -1.879179002e+00 -1.709503243e+00 -1.771560429e+00 2.12 -1.899035849e+00 -1.749784814e+00 -1.792560755e+00 2.14 -1.913016698e+00 -1.783031856e+00 -1.811000768e+00 2.16 -1.921603329e+00 -1.809825958e+00 -1.826925638e+00 2.18 -1.925247488e+00 -1.830708795e+00 -1.840384913e+00 2.20 -1.924374651e+00 -1.846186976e+00 -1.851432284e+00 2.22 -1.919387441e+00 -1.856736439e+00 -1.860125327e+00 2.24 -1.910668766e+00 -1.862806525e+00 -1.866525255e+00 2.26 -1.898583998e+00 -1.864823494e+00 -1.870696649e+00 2.28 -1.883476541e+00 -1.863185792e+00 -1.872707194e+00 2.30 -1.865663145e+00 -1.858258372e+00 -1.872627408e+00 2.32 -1.845435437e+00 -1.850374759e+00 -1.870530367e+00 2.34 -1.823061879e+00 -1.839839670e+00 -1.866491429e+00 2.36 -1.798789589e+00 -1.826931420e+00 -1.860587955e+00 2.38 -1.772845985e+00 -1.811904129e+00 -1.852899030e+00 2.40 -1.745440303e+00 -1.794989740e+00 -1.843505189e+00 2.42 -1.716764986e+00 -1.776399877e+00 -1.832488137e+00 2.44 -1.686996957e+00 -1.756327542e+00 -1.819930475e+00 2.46 -1.656298792e+00 -1.734948681e+00 -1.805915431e+00 2.48 -1.624819798e+00 -1.712423620e+00 -1.790526593e+00 2.50 -1.592697003e+00 -1.688898377e+00 -1.773847646e+00 2.52 -1.560056062e+00 -1.664505876e+00 -1.755962122e+00 2.54 -1.527012109e+00 -1.639367058e+00 -1.736953145e+00 2.56 -1.493670528e+00 -1.613591903e+00 -1.716903192e+00 2.58 -1.460127664e+00 -1.587280371e+00 -1.695893868e+00 2.60 -1.426471494e+00 -1.560523261e+00 -1.674005672e+00 2.62 -1.392782230e+00 -1.533403004e+00 -1.651317791e+00 2.64 -1.359132891e+00 -1.505994397e+00 -1.627907901e+00 2.66 -1.325589826e+00 -1.478365263e+00 -1.603851966e+00 2.68 -1.292213198e+00 -1.450577074e+00 -1.579224067e+00 2.70 -1.259057436e+00 -1.422685508e+00 -1.554096233e+00 2.72 -1.226171649e+00 -1.394740967e+00 -1.528538284e+00 2.74 -1.193600025e+00 -1.366789057e+00 -1.502617694e+00 2.76 -1.161382176e+00 -1.338871017e+00 -1.476399466e+00 2.78 -1.129553487e+00 -1.311024115e+00 -1.449946006e+00 2.80 -1.098145418e+00 -1.283282023e+00 -1.423317031e+00 2.82 -1.067185798e+00 -1.255675135e+00 -1.396569490e+00 2.84 -1.036699099e+00 -1.228230886e+00 -1.369757476e+00 2.86 -1.006706676e+00 -1.200974020e+00 -1.342932168e+00 2.88 -9.772270151e-01 -1.173926842e+00 -1.316141809e+00 2.90 -9.482759411e-01 -1.147109460e+00 -1.289431648e+00 2.92 -9.198668256e-01 -1.120539979e+00 -1.262843924e+00 2.94 -8.920107789e-01 -1.094234700e+00 -1.236417883e+00 2.96 -8.647168195e-01 -1.068208298e+00 -1.210189770e+00 2.98 -8.379920467e-01 -1.042473961e+00 -1.184192836e+00 3.00 -8.118417932e-01 -1.017043539e+00 -1.158457392e+00 3.02 -7.862697634e-01 -9.919276844e-01 -1.133010854e+00 3.04 -7.612781739e-01 -9.671359446e-01 -1.107877775e+00 3.06 -7.368678772e-01 -9.426768672e-01 -1.083079909e+00 3.08 -7.130384746e-01 -9.185581064e-01 -1.058636314e+00 3.10 -6.897884284e-01 -8.947865035e-01 -1.034563417e+00 3.12 -6.671151642e-01 -8.713681392e-01 -1.010875086e+00 3.14 -6.450151641e-01 -8.483084053e-01 -9.875827378e-01 3.16 -6.234840524e-01 -8.256120833e-01 -9.646954691e-01 3.18 -6.025166818e-01 -8.032833814e-01 -9.422201508e-01 3.20 -5.821072097e-01 -7.813259665e-01 -9.201615176e-01 3.22 -5.622491681e-01 -7.597430097e-01 -8.985222951e-01 3.24 -5.429355290e-01 -7.385372312e-01 -8.773033614e-01 3.26 -5.241587679e-01 -7.177109261e-01 -8.565038543e-01 3.28 -5.059109215e-01 -6.972659927e-01 -8.361212773e-01 3.30 -4.881836415e-01 -6.772039677e-01 -8.161516339e-01 3.32 -4.709682412e-01 -6.575259587e-01 -7.965895680e-01 3.34 -4.542557438e-01 -6.382327684e-01 -7.774285132e-01 3.36 -4.380369243e-01 -6.193249068e-01 -7.586608188e-01 3.38 -4.223023497e-01 -6.008024986e-01 -7.402778878e-01 3.40 -4.070424154e-01 -5.826654867e-01 -7.222701573e-01 3.42 -3.922473787e-01 -5.649133480e-01 -7.046273848e-01 3.44 -3.779073894e-01 -5.475454371e-01 -6.873388685e-01 3.46 -3.640125183e-01 -5.305606129e-01 -6.703932844e-01 3.48 -3.505527848e-01 -5.139576715e-01 -6.537790436e-01 3.50 -3.375181806e-01 -4.977349415e-01 -6.374842981e-01 3.52 -3.248986922e-01 -4.818907728e-01 -6.214968010e-01 3.54 -3.126843208e-01 -4.664229506e-01 -6.058045660e-01 3.56 -3.008651016e-01 -4.513294354e-01 -5.903952931e-01 3.58 -2.894311202e-01 -4.366075503e-01 -5.752574154e-01 3.60 -2.783725273e-01 -4.222541553e-01 -5.603790668e-01 3.62 -2.676795538e-01 -4.082662279e-01 -5.457496521e-01 3.64 -2.573425238e-01 -3.946402504e-01 -5.313570423e-01 3.66 -2.473518651e-01 -3.813730130e-01 -5.171905123e-01 3.68 -2.376981200e-01 -3.684609338e-01 -5.032394395e-01 3.70 -2.283719544e-01 -3.558997261e-01 -4.894955269e-01 3.72 -2.193641655e-01 -3.436859101e-01 -4.759491224e-01 3.74 -2.106656893e-01 -3.318159735e-01 -4.625935553e-01 3.76 -2.022676067e-01 -3.202845004e-01 -4.494241586e-01 3.78 -1.941611490e-01 -3.090851802e-01 -4.364293686e-01 3.80 -1.863377025e-01 -2.982122712e-01 -4.235978635e-01 3.82 -1.787888123e-01 -2.876596572e-01 -4.109200551e-01 3.84 -1.715061861e-01 -2.774225779e-01 -3.983956860e-01 3.86 -1.644816962e-01 -2.674980249e-01 -3.860325566e-01 3.88 -1.577073821e-01 -2.578827679e-01 -3.738320062e-01 3.90 -1.511754520e-01 -2.485721245e-01 -3.617822631e-01 3.92 -1.448782836e-01 -2.395572045e-01 -3.498845795e-01 3.94 -1.388084253e-01 -2.308321060e-01 -3.381435455e-01 3.96 -1.329585960e-01 -2.223914630e-01 -3.265615921e-01 3.98 -1.273216851e-01 -2.142300340e-01 -3.151182725e-01 4.00 -1.218907522e-01 -2.063427412e-01 -3.037954898e-01 4.02 -1.166590262e-01 -1.987225973e-01 -2.925844525e-01 4.04 -1.116199040e-01 -1.913588371e-01 -2.814868475e-01 4.06 -1.067669495e-01 -1.842415859e-01 -2.705187062e-01 4.08 -1.020938920e-01 -1.773620886e-01 -2.596940365e-01 4.10 -9.759462414e-02 -1.707125057e-01 -2.490282674e-01 4.12 -9.326320010e-02 -1.642857401e-01 -2.385380444e-01 4.14 -8.909383343e-02 -1.580765780e-01 -2.282406293e-01 4.16 -8.508089475e-02 -1.520808308e-01 -2.181617855e-01 4.18 -8.121890928e-02 -1.462933745e-01 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