# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 1985--Foiles-S-M--Ni-Cu # implementation = 1985--Foiles-S-M--Ni-Cu--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 Ni Ni Ni 0.02 8.184454522e+04 7.467446959e+04 6.813444963e+04 0.04 3.851170764e+04 3.535864705e+04 3.246355759e+04 0.06 2.415536404e+04 2.231418018e+04 2.061262047e+04 0.08 1.703177483e+04 1.582625931e+04 1.470466508e+04 0.10 1.279082542e+04 1.194915773e+04 1.116050656e+04 0.12 9.983894665e+03 9.369493454e+03 8.789647657e+03 0.14 7.991421397e+03 7.526362898e+03 7.084564706e+03 0.16 6.505156422e+03 6.141113596e+03 5.793619812e+03 0.18 5.355316912e+03 5.060773138e+03 4.779220113e+03 0.20 4.441236294e+03 4.195038177e+03 3.960542364e+03 0.22 3.699739200e+03 3.487505756e+03 3.287352646e+03 0.24 3.089284608e+03 2.901237485e+03 2.726864830e+03 0.26 2.581421862e+03 2.410984469e+03 2.256672753e+03 0.28 2.155925599e+03 1.998770956e+03 1.860752555e+03 0.30 1.797905255e+03 1.651284427e+03 1.527118980e+03 0.32 1.496030600e+03 1.358287684e+03 1.246417193e+03 0.34 1.241414419e+03 1.111632074e+03 1.011063008e+03 0.36 1.026894662e+03 9.046343824e+02 8.147125944e+02 0.38 8.465653456e+02 7.316788392e+02 6.519329785e+02 0.40 6.954650936e+02 5.879592912e+02 5.179956102e+02 0.42 5.693668258e+02 4.693098465e+02 4.087451051e+02 0.44 4.646328505e+02 3.720911092e+02 3.205134149e+02 0.46 3.781124716e+02 2.931112434e+02 2.500609215e+02 0.48 3.070673199e+02 2.295686950e+02 1.945330517e+02 0.50 2.491148355e+02 1.790082670e+02 1.514255237e+02 0.52 2.021837092e+02 1.392853852e+02 1.185542054e+02 0.54 1.644773088e+02 1.085354155e+02 9.402737335e+01 0.56 1.344425608e+02 8.514619182e+01 7.621926891e+01 0.58 1.107427046e+02 6.773272925e+01 6.374452026e+01 0.60 9.223294501e+01 5.511360142e+01 5.543336816e+01 0.62 7.793841214e+01 4.628875430e+01 5.030782036e+01 0.64 6.703408032e+01 4.041868918e+01 4.755893102e+01 0.66 5.882643647e+01 3.680503226e+01 4.652540726e+01 0.68 5.273677040e+01 3.487255077e+01 4.667371213e+01 0.70 4.828599908e+01 3.415257265e+01 4.757978487e+01 0.72 4.508095458e+01 3.426793124e+01 4.891244561e+01 0.74 4.280206871e+01 3.491936571e+01 5.041850098e+01 0.76 4.119238448e+01 3.587336046e+01 5.190952311e+01 0.78 4.004781841e+01 3.695136888e+01 5.325023862e+01 0.80 3.920859217e+01 3.802034864e+01 5.434843783e+01 0.82 3.855174663e+01 3.898452188e+01 5.514629399e+01 0.84 3.798464911e+01 3.977826470e+01 5.561297293e+01 0.86 3.743940297e+01 4.036002516e+01 5.573840707e+01 0.88 3.686807016e+01 4.070716760e+01 5.552810646e+01 0.90 3.623861951e+01 4.081164259e+01 5.499888375e+01 0.92 3.553151765e+01 4.067638534e+01 5.417537513e+01 0.94 3.473688439e+01 4.031235110e+01 5.308724774e+01 0.96 3.385213978e+01 3.973610240e+01 5.176699285e+01 0.98 3.288007640e+01 3.896786906e+01 5.024821364e+01 1.00 3.182729620e+01 3.803001011e+01 4.856432645e+01 1.02 3.070295787e+01 3.694581839e+01 4.674760369e+01 1.04 2.943684652e+01 3.566951412e+01 4.482849596e+01 1.06 2.820236167e+01 3.426717371e+01 4.269246903e+01 1.08 2.693029012e+01 3.278510470e+01 4.057874990e+01 1.10 2.563212625e+01 3.122772680e+01 3.839629651e+01 1.12 2.431881605e+01 2.961609687e+01 3.618750461e+01 1.14 2.300053929e+01 2.797722130e+01 3.398241951e+01 1.16 2.168657035e+01 2.633318789e+01 3.179540782e+01 1.18 2.038499808e+01 2.470182620e+01 2.964575846e+01 1.20 1.905163896e+01 2.310047675e+01 2.754856126e+01 1.22 1.768266120e+01 2.153781671e+01 2.551538630e+01 1.24 1.631450074e+01 2.002091133e+01 2.355486775e+01 1.26 1.498016836e+01 1.855618458e+01 2.167320253e+01 1.28 1.369232662e+01 1.714821555e+01 1.987457429e+01 1.30 1.246024493e+01 1.579509541e+01 1.816211239e+01 1.32 1.129147139e+01 1.449227546e+01 1.654056470e+01 1.34 1.018971188e+01 1.324380603e+01 1.500531978e+01 1.36 9.155938095e+00 1.205230958e+01 1.355566916e+01 1.38 8.193098911e+00 1.092186626e+01 1.219018738e+01 1.40 7.294763719e+00 9.853891647e+00 1.090689044e+01 1.42 6.458225427e+00 8.843956613e+00 9.703365372e+00 1.44 5.680406822e+00 7.893285412e+00 8.576878321e+00 1.46 4.958038744e+00 6.998234395e+00 7.524464452e+00 1.48 4.287820963e+00 6.157401238e+00 6.543002409e+00 1.50 3.666523555e+00 5.369108075e+00 5.629275720e+00 1.52 3.091046598e+00 4.631495886e+00 4.780023133e+00 1.54 2.558451504e+00 3.942583511e+00 3.991979551e+00 1.56 2.065973624e+00 3.300313934e+00 3.261909014e+00 1.58 1.611011804e+00 2.702590527e+00 2.586630959e+00 1.60 1.193950209e+00 2.147305334e+00 1.963040800e+00 1.62 8.129120642e-01 1.632361012e+00 1.388125721e+00 1.64 4.620468982e-01 1.155687907e+00 8.589764570e-01 1.66 1.394831188e-01 7.155896392e-01 3.727957304e-01 1.68 -1.565691112e-01 3.104254615e-01 -7.194548770e-02 1.70 -4.277946917e-01 -6.246892345e-02 -4.730316608e-01 1.72 -6.757807432e-01 -4.049409378e-01 -8.391845912e-01 1.74 -9.020234247e-01 -7.187704814e-01 -1.172688066e+00 1.76 -1.107933718e+00 -1.005668481e+00 -1.475707709e+00 1.78 -1.294842678e+00 -1.267275165e+00 -1.750293116e+00 1.80 -1.464006138e+00 -1.505159251e+00 -1.998380494e+00 1.82 -1.616608865e+00 -1.720817838e+00 -2.221795934e+00 1.84 -1.753768323e+00 -1.915676891e+00 -2.422259158e+00 1.86 -1.876538129e+00 -2.091092219e+00 -2.601387600e+00 1.88 -1.985911246e+00 -2.248350846e+00 -2.760700730e+00 1.90 -2.082822855e+00 -2.388672612e+00 -2.901624478e+00 1.92 -2.168153167e+00 -2.513209787e+00 -3.025495751e+00 1.94 -2.242730212e+00 -2.623057402e+00 -3.133566940e+00 1.96 -2.307332519e+00 -2.719292726e+00 -3.227010368e+00 1.98 -2.362690925e+00 -2.802663969e+00 -3.306922660e+00 2.00 -2.409491555e+00 -2.873948060e+00 -3.374329001e+00 2.02 -2.448378323e+00 -2.933714259e+00 -3.430187248e+00 2.04 -2.479953812e+00 -2.981106930e+00 -3.475391900e+00 2.06 -2.504783491e+00 -3.019211889e+00 -3.510777922e+00 2.08 -2.523395456e+00 -3.048835449e+00 -3.537124330e+00 2.10 -2.536284581e+00 -3.070619980e+00 -3.555157690e+00 2.12 -2.543912520e+00 -3.085191390e+00 -3.565555397e+00 2.14 -2.546711385e+00 -3.093129830e+00 -3.568948788e+00 2.16 -2.545083309e+00 -3.094977682e+00 -3.565926030e+00 2.18 -2.539395937e+00 -3.091243266e+00 -3.557035022e+00 2.20 -2.530016045e+00 -3.082400319e+00 -3.542785898e+00 2.22 -2.517297546e+00 -3.068893125e+00 -3.523653493e+00 2.24 -2.501493511e+00 -3.051134553e+00 -3.500079708e+00 2.26 -2.482839288e+00 -3.029511128e+00 -3.472475663e+00 2.28 -2.461597629e+00 -3.004383224e+00 -3.441223724e+00 2.30 -2.437830862e+00 -2.976085022e+00 -3.406679405e+00 2.32 -2.411526219e+00 -2.944930229e+00 -3.369173153e+00 2.34 -2.382834743e+00 -2.911209097e+00 -3.329004177e+00 2.36 -2.352237067e+00 -2.875190883e+00 -3.286506221e+00 2.38 -2.320202715e+00 -2.837128608e+00 -3.241859286e+00 2.40 -2.287025195e+00 -2.797255671e+00 -3.194526249e+00 2.42 -2.252798596e+00 -2.755786884e+00 -3.144583230e+00 2.44 -2.217623665e+00 -2.712924579e+00 -3.092829484e+00 2.46 -2.181607501e+00 -2.668857376e+00 -3.040040743e+00 2.48 -2.144883501e+00 -2.623754963e+00 -2.986252435e+00 2.50 -2.107568486e+00 -2.577776661e+00 -2.931639151e+00 2.52 -2.069771455e+00 -2.531072879e+00 -2.876356041e+00 2.54 -2.031593744e+00 -2.483780362e+00 -2.820544782e+00 2.56 -1.993115108e+00 -2.436022414e+00 -2.764334666e+00 2.58 -1.954417071e+00 -2.387939695e+00 -2.707847984e+00 2.60 -1.915579911e+00 -2.339594500e+00 -2.651193327e+00 2.62 -1.876680569e+00 -2.291060086e+00 -2.594475935e+00 2.64 -1.837781383e+00 -2.242312364e+00 -2.537786506e+00 2.66 -1.798925985e+00 -2.193184468e+00 -2.481215233e+00 2.68 -1.760172095e+00 -2.143796925e+00 -2.424838136e+00 2.70 -1.721575978e+00 -2.094535074e+00 -2.368729675e+00 2.72 -1.683191656e+00 -2.045637157e+00 -2.312958184e+00 2.74 -1.645069587e+00 -1.997117164e+00 -2.257578958e+00 2.76 -1.607217697e+00 -1.948971275e+00 -2.202655250e+00 2.78 -1.569660136e+00 -1.901238215e+00 -2.148232584e+00 2.80 -1.532439657e+00 -1.853972642e+00 -2.094353368e+00 2.82 -1.495596969e+00 -1.807224593e+00 -2.041069604e+00 2.84 -1.459170545e+00 -1.761033310e+00 -1.988413413e+00 2.86 -1.423196468e+00 -1.715432777e+00 -1.936409537e+00 2.88 -1.387707132e+00 -1.670461524e+00 -1.885098107e+00 2.90 -1.352565500e+00 -1.626056143e+00 -1.834518874e+00 2.92 -1.317743657e+00 -1.582201596e+00 -1.784670494e+00 2.94 -1.283345822e+00 -1.538971911e+00 -1.735573305e+00 2.96 -1.249460125e+00 -1.496436869e+00 -1.687260930e+00 2.98 -1.216160449e+00 -1.454658285e+00 -1.639769464e+00 3.00 -1.183508070e+00 -1.413669358e+00 -1.593089739e+00 3.02 -1.151553128e+00 -1.373487958e+00 -1.547194581e+00 3.04 -1.120335945e+00 -1.334153794e+00 -1.502118637e+00 3.06 -1.089888206e+00 -1.295701282e+00 -1.457896935e+00 3.08 -1.060265310e+00 -1.258177924e+00 -1.414563380e+00 3.10 -1.031674770e+00 -1.221711504e+00 -1.372132961e+00 3.12 -1.003954136e+00 -1.186073724e+00 -1.330292776e+00 3.14 -9.769022769e-01 -1.151160525e+00 -1.289089081e+00 3.16 -9.503594788e-01 -1.116953604e+00 -1.248714301e+00 3.18 -9.242012344e-01 -1.083438863e+00 -1.209318918e+00 3.20 -8.983328086e-01 -1.050605756e+00 -1.171018031e+00 3.22 -8.726844927e-01 -1.018446676e+00 -1.133897004e+00 3.24 -8.472074689e-01 -9.869563999e-01 -1.098016302e+00 3.26 -8.218702169e-01 -9.561544879e-01 -1.063469388e+00 3.28 -7.966554017e-01 -9.261626455e-01 -1.030565956e+00 3.30 -7.715571840e-01 -8.968170786e-01 -9.989243979e-01 3.32 -7.465789064e-01 -8.679460162e-01 -9.681328057e-01 3.34 -7.217311104e-01 -8.394265309e-01 -9.378854628e-01 3.36 -6.970298425e-01 -8.111750605e-01 -9.079626908e-01 3.38 -6.724952171e-01 -7.831394500e-01 -8.782139427e-01 3.40 -6.481048926e-01 -7.552677649e-01 -8.485436673e-01 3.42 -6.238003333e-01 -7.275083376e-01 -8.188995353e-01 3.44 -5.996987424e-01 -6.999199805e-01 -7.892626757e-01 3.46 -5.759074568e-01 -6.725661294e-01 -7.596396164e-01 3.48 -5.525148443e-01 -6.455071651e-01 -7.300556700e-01 3.50 -5.295927922e-01 -6.187995808e-01 -7.005495394e-01 3.52 -5.071989046e-01 -5.924792567e-01 -6.711339236e-01 3.54 -4.853784372e-01 -5.665227801e-01 -6.417132439e-01 3.56 -4.641660018e-01 -5.410376876e-01 -6.124947079e-01 3.58 -4.435870645e-01 -5.161285633e-01 -5.836881906e-01 3.60 -4.236592610e-01 -4.918760364e-01 -5.554588664e-01 3.62 -4.043935500e-01 -4.683406180e-01 -5.279344770e-01 3.64 -3.857952232e-01 -4.455659850e-01 -5.012115239e-01 3.66 -3.678647878e-01 -4.235817874e-01 -4.753605355e-01 3.68 -3.505987370e-01 -4.024060431e-01 -4.504305414e-01 3.70 -3.339902207e-01 -3.820471792e-01 -4.264528658e-01 3.72 -3.180296289e-01 -3.625057677e-01 -4.034443384e-01 3.74 -3.027050977e-01 -3.437759983e-01 -3.814100061e-01 3.76 -2.880029472e-01 -3.258469268e-01 -3.603454181e-01 3.78 -2.739080596e-01 -3.087035290e-01 -3.402385476e-01 3.80 -2.604042042e-01 -2.923275894e-01 -3.210714022e-01 3.82 -2.474743171e-01 -2.766984469e-01 -3.028213707e-01 3.84 -2.351007400e-01 -2.617936212e-01 -2.854623445e-01 3.86 -2.232654231e-01 -2.475893334e-01 -2.689656483e-01 3.88 -2.119500982e-01 -2.340609387e-01 -2.533008091e-01 3.90 -2.011364238e-01 -2.211832840e-01 -2.384361882e-01 3.92 -1.908061074e-01 -2.089310022e-01 -2.243394974e-01 3.94 -1.809410068e-01 -1.972787511e-01 -2.109782184e-01 3.96 -1.715232144e-01 -1.862014076e-01 -1.983199391e-01 3.98 -1.625351255e-01 -1.756742219e-01 -1.863326224e-01 4.00 -1.539594939e-01 -1.656729401e-01 -1.749848171e-01 4.02 -1.457794757e-01 -1.561738987e-01 -1.642458201e-01 4.04 -1.379786635e-01 -1.471540970e-01 -1.540858001e-01 4.06 -1.305411125e-01 -1.385912489e-01 -1.444758875e-01 4.08 -1.234513587e-01 -1.304638205e-01 -1.353882376e-01 4.10 -1.166944319e-01 -1.227510534e-01 -1.267960708e-01 4.12 -1.102558630e-01 -1.154329774e-01 -1.186736959e-01 4.14 -1.041216870e-01 -1.084904147e-01 -1.109965177e-01 4.16 -9.827844300e-02 -1.019049772e-01 -1.037410334e-01 4.18 -9.271316994e-02 -9.565905687e-02 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