# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Sn # implementation = 2026--Park-J-H--Fe-Cu-Sn--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 2026-06-16 r Fe Sn Sn Sn Cu Cu Cu Sn Fe Fe Cu Fe 0.02 2.275472803e+03 1.265277938e+03 7.829340873e+02 8.417751677e+02 4.359127350e+02 9.639337503e+02 0.04 2.151800231e+03 1.208287519e+03 7.430545669e+02 8.006410208e+02 4.135610337e+02 9.089149214e+02 0.06 2.034685051e+03 1.153771265e+03 7.050843869e+02 7.614262293e+02 3.924336874e+02 8.569058804e+02 0.08 1.923789149e+03 1.101624213e+03 6.689217745e+02 7.240476492e+02 3.724361364e+02 8.077585192e+02 0.10 1.818790577e+03 1.051745781e+03 6.344853070e+02 6.884216373e+02 3.534859964e+02 7.613256909e+02 0.12 1.719383029e+03 1.004039583e+03 6.016976631e+02 6.544682278e+02 3.355109610e+02 7.174659061e+02 0.14 1.625275282e+03 9.584132554e+02 5.704848119e+02 6.221110344e+02 3.184470944e+02 6.760435911e+02 0.16 1.536190604e+03 9.147782968e+02 5.407758592e+02 5.912771195e+02 3.022374410e+02 6.369291887e+02 0.18 1.451866162e+03 8.730499039e+02 5.125028841e+02 5.618968311e+02 2.868308926e+02 5.999991294e+02 0.20 1.372052416e+03 8.331468214e+02 4.856008354e+02 5.339036368e+02 2.721812658e+02 5.651357284e+02 0.22 1.296512526e+03 7.949911955e+02 4.600074466e+02 5.072339814e+02 2.582465483e+02 5.322270509e+02 0.24 1.225021766e+03 7.585084332e+02 4.356631342e+02 4.818271627e+02 2.449882838e+02 5.011667558e+02 0.26 1.157366953e+03 7.236270683e+02 4.125108823e+02 4.576252134e+02 2.323710681e+02 4.718539158e+02 0.28 1.093345890e+03 6.902786317e+02 3.904961259e+02 4.345727830e+02 2.203621365e+02 4.441928178e+02 0.30 1.032766836e+03 6.583975281e+02 3.695666415e+02 4.126170207e+02 2.089310242e+02 4.180927489e+02 0.32 9.754479852e+02 6.279209168e+02 3.496724486e+02 3.917074608e+02 1.980492863e+02 3.934677764e+02 0.34 9.212169749e+02 5.987885979e+02 3.307657192e+02 3.717959131e+02 1.876902665e+02 3.702365274e+02 0.36 8.699104108e+02 5.709429031e+02 3.128006951e+02 3.528363588e+02 1.778289042e+02 3.483219718e+02 0.38 8.213734142e+02 5.443285909e+02 2.957336069e+02 3.347848529e+02 1.684415743e+02 3.276512111e+02 0.40 7.754591888e+02 5.188927458e+02 2.795225973e+02 3.175994320e+02 1.595059517e+02 3.081552738e+02 0.42 7.320286088e+02 4.945846820e+02 2.641276440e+02 3.012400272e+02 1.510008972e+02 2.897689191e+02 0.44 6.909498259e+02 4.713558510e+02 2.495104850e+02 2.856683806e+02 1.429063609e+02 2.724304471e+02 0.46 6.520978953e+02 4.491597528e+02 2.356345452e+02 2.708479662e+02 1.352032983e+02 2.560815169e+02 0.48 6.153544202e+02 4.279518509e+02 2.224648649e+02 2.567439138e+02 1.278735986e+02 2.406669727e+02 0.50 5.806072139e+02 4.076894904e+02 2.099680309e+02 2.433229355e+02 1.209000219e+02 2.261346764e+02 0.52 5.477499784e+02 3.883318204e+02 1.981121108e+02 2.305532554e+02 1.142661439e+02 2.124353481e+02 0.54 5.166819996e+02 3.698397182e+02 1.868665888e+02 2.184045424e+02 1.079563073e+02 1.995224141e+02 0.56 4.873078578e+02 3.521757179e+02 1.762023061e+02 2.068478446e+02 1.019555776e+02 1.873518616e+02 0.58 4.595371522e+02 3.353039411e+02 1.660914031e+02 1.958555281e+02 9.624970366e+01 1.758821006e+02 0.60 4.332842407e+02 3.191900309e+02 1.565072642e+02 1.854012167e+02 9.082508222e+01 1.650738332e+02 0.62 4.084679919e+02 3.038010883e+02 1.474244659e+02 1.754597355e+02 8.566872461e+01 1.548899289e+02 0.64 3.850115502e+02 2.891056115e+02 1.388187267e+02 1.660070564e+02 8.076822665e+01 1.452953068e+02 0.66 3.628421132e+02 2.750734374e+02 1.306668596e+02 1.570202463e+02 7.611174060e+01 1.362568240e+02 0.68 3.418907200e+02 2.616756857e+02 1.229467259e+02 1.484774178e+02 7.168794893e+01 1.277431699e+02 0.70 3.220920511e+02 2.488847056e+02 1.156371916e+02 1.403576820e+02 6.748603989e+01 1.197247663e+02 0.72 3.033842379e+02 2.366740236e+02 1.087180854e+02 1.326411034e+02 6.349568448e+01 1.121736727e+02 0.74 2.857086828e+02 2.250182952e+02 1.021701581e+02 1.253086574e+02 5.970701467e+01 1.050634969e+02 0.76 2.690098875e+02 2.138932568e+02 9.597504355e+01 1.183421891e+02 5.611060293e+01 9.836931028e+01 0.78 2.532352918e+02 2.032756806e+02 9.011522120e+01 1.117243746e+02 5.269744271e+01 9.206756821e+01 0.80 2.383351189e+02 1.931433315e+02 8.457398011e+01 1.054386833e+02 4.945892989e+01 8.613603393e+01 0.82 2.242622305e+02 1.834749250e+02 7.933538414e+01 9.946934295e+01 4.638684521e+01 8.055370730e+01 0.84 2.109719879e+02 1.742500876e+02 7.438423850e+01 9.380130539e+01 4.347333744e+01 7.530075706e+01 0.86 1.984221213e+02 1.654493181e+02 6.970605762e+01 8.842021412e+01 4.071090734e+01 7.035845679e+01 0.88 1.865726053e+02 1.570539515e+02 6.528703420e+01 8.331237338e+01 3.809239237e+01 6.570912442e+01 0.90 1.753855414e+02 1.490461233e+02 6.111400952e+01 7.846471848e+01 3.561095203e+01 6.133606488e+01 0.92 1.648250462e+02 1.414087360e+02 5.717444486e+01 7.386478753e+01 3.326005389e+01 5.722351600e+01 0.94 1.548571456e+02 1.341254269e+02 5.345639411e+01 6.950069426e+01 3.103346018e+01 5.335659711e+01 0.96 1.454496742e+02 1.271805368e+02 4.994847748e+01 6.536110220e+01 2.892521499e+01 4.972126064e+01 0.98 1.365721805e+02 1.205590806e+02 4.663985631e+01 6.143519985e+01 2.692963203e+01 4.630424613e+01 1.00 1.281958366e+02 1.142467187e+02 4.352020884e+01 5.771267700e+01 2.504128282e+01 4.309303689e+01 1.02 1.202933526e+02 1.082297297e+02 4.057970715e+01 5.418370207e+01 2.325498552e+01 4.007581884e+01 1.04 1.128388950e+02 1.024949846e+02 3.780899493e+01 5.083890044e+01 2.156579414e+01 3.724144169e+01 1.06 1.058070301e+02 9.702992099e+01 3.519916630e+01 4.766933371e+01 1.996898819e+01 3.457938216e+01 1.08 9.886528132e+01 9.182251993e+01 3.274174549e+01 4.466647992e+01 1.846006290e+01 3.207970924e+01 1.10 9.387503138e+01 8.686128231e+01 3.042866741e+01 4.182221461e+01 1.703471966e+01 2.973305129e+01 1.12 8.857153612e+01 8.213520706e+01 2.825225907e+01 3.912879267e+01 1.568885706e+01 2.753056494e+01 1.14 8.283560299e+01 7.763376996e+01 2.620522182e+01 3.657883110e+01 1.441856215e+01 2.546390575e+01 1.16 7.742354711e+01 7.334690341e+01 2.428061434e+01 3.416529247e+01 1.322010220e+01 2.352520032e+01 1.18 7.232304039e+01 6.926497700e+01 2.247183640e+01 3.188146911e+01 1.208991672e+01 2.170702014e+01 1.20 6.751710011e+01 6.537877896e+01 2.077261331e+01 2.972096803e+01 1.102460986e+01 2.000235669e+01 1.22 6.298958367e+01 6.167949828e+01 1.917698107e+01 2.767769653e+01 1.002094311e+01 1.840459799e+01 1.24 5.872520998e+01 5.815870771e+01 1.767927214e+01 2.574584844e+01 9.075828378e+00 1.690750647e+01 1.26 5.470951559e+01 5.480834737e+01 1.627410189e+01 2.391989095e+01 8.186321259e+00 1.550519797e+01 1.28 5.092881163e+01 5.162070907e+01 1.495635558e+01 2.219455213e+01 7.349614689e+00 1.419212200e+01 1.30 4.737014288e+01 4.858842132e+01 1.372117592e+01 2.056480890e+01 6.563032811e+00 1.296304304e+01 1.32 4.402124909e+01 4.570443494e+01 1.256395124e+01 1.902587564e+01 5.824025135e+00 1.181302287e+01 1.34 4.087052818e+01 4.296200928e+01 1.148030405e+01 1.757319325e+01 5.130160934e+00 1.073740394e+01 1.36 3.790700151e+01 4.035469902e+01 1.046608026e+01 1.620241875e+01 4.479123895e+00 9.731793578e+00 1.38 3.512028082e+01 3.787634152e+01 9.517338678e+00 1.490941536e+01 3.868706985e+00 8.792049158e+00 1.40 3.250053707e+01 3.552104471e+01 8.630341155e+00 1.369024300e+01 3.296807554e+00 7.914264060e+00 1.42 3.003847072e+01 3.328317551e+01 7.801543009e+00 1.254114921e+01 2.761422640e+00 7.094754407e+00 1.44 2.772528375e+01 3.115734866e+01 7.027583950e+00 1.145856057e+01 2.260644485e+00 6.330046564e+00 1.46 2.555265302e+01 2.913841614e+01 6.305279365e+00 1.043907443e+01 1.792656239e+00 5.616865320e+00 1.48 2.351270507e+01 2.722145691e+01 5.631611987e+00 9.479451020e+00 1.355727855e+00 4.952122740e+00 1.50 2.159799230e+01 2.540176720e+01 5.003723934e+00 8.576605975e+00 9.482121620e-01 4.332907640e+00 1.52 1.980147025e+01 2.367485110e+01 4.418909078e+00 7.727603157e+00 5.685411092e-01 3.756475647e+00 1.54 1.811647628e+01 2.203641167e+01 3.874605765e+00 6.929647821e+00 2.152221745e-01 3.220239823e+00 1.56 1.653670915e+01 2.048234227e+01 3.368389833e+00 6.180080081e+00 -1.131650729e-01 2.721761804e+00 1.58 1.505620987e+01 1.900871843e+01 2.897967958e+00 5.476368692e+00 -4.179722531e-01 2.258743453e+00 1.60 1.366934343e+01 1.761178994e+01 2.461171263e+00 4.816105094e+00 -7.004853201e-01 1.829018957e+00 1.62 1.237078156e+01 1.628797330e+01 2.055949240e+00 4.196997746e+00 -9.619275607e-01 1.430547390e+00 1.64 1.115548631e+01 1.503384454e+01 1.680363911e+00 3.616866703e+00 -1.203462468e+00 1.061405676e+00 1.66 1.001869463e+01 1.384613229e+01 1.332584264e+00 3.073638448e+00 -1.426196485e+00 7.197819567e-01 1.68 8.955903656e+00 1.272171115e+01 1.010880933e+00 2.565340957e+00 -1.631181629e+00 4.039693251e-01 1.70 7.962856793e+00 1.165759540e+01 7.136211122e-01 2.090098983e+00 -1.819418001e+00 1.123599105e-01 1.72 7.035530563e+00 1.065093289e+01 4.392636996e-01 1.646129563e+00 -1.991856188e+00 -1.565607019e-01 1.74 6.170122116e+00 9.698999258e+00 1.863546573e-01 1.231737716e+00 -2.149399569e+00 -4.042187452e-01 1.76 5.363037423e+00 8.799192348e+00 -4.647741250e-02 8.453123495e-01 -2.292906522e+00 -6.319572413e-01 1.78 4.610880067e+00 7.949026913e+00 -2.605255018e-01 4.853223389e-01 -2.423192550e+00 -8.410407047e-01 1.80 3.910440661e+00 7.146129506e+00 -4.570082240e-01 1.503127933e-01 -2.541032314e+00 -1.032659571e+00 1.82 3.258686793e+00 6.388233600e+00 -6.370736699e-01 -1.610985174e-01 -2.647161577e+00 -1.207934389e+00 1.84 2.652753538e+00 5.673174923e+00 -8.018030738e-01 -4.502245669e-01 -2.742279016e+00 -1.367919770e+00 1.86 2.089934453e+00 4.998886987e+00 -9.522143191e-01 -7.183123292e-01 -2.827047899e+00 -1.513608123e+00 1.88 1.567673080e+00 4.363396808e+00 -1.089265273e+00 -9.665458843e-01 -2.902097573e+00 -1.645933178e+00 1.90 1.083554907e+00 3.764820810e+00 -1.213856969e+00 -1.196049386e+00 -2.968024758e+00 -1.765773306e+00 1.92 6.352997700e-01 3.201360908e+00 -1.326836637e+00 -1.407889892e+00 -3.025394671e+00 -1.873954654e+00 1.94 2.207547039e-01 2.671300754e+00 -1.429000591e+00 -1.603080075e+00 -3.074742021e+00 -1.971254088e+00 1.96 -1.621128175e-01 2.173002146e+00 -1.521096978e+00 -1.782580796e+00 -3.116571970e+00 -2.058401941e+00 1.98 -5.152212321e-01 1.704901594e+00 -1.603828390e+00 -1.947303580e+00 -3.151361191e+00 -2.136084564e+00 2.00 -8.403808858e-01 1.265507026e+00 -1.677854361e+00 -2.098112961e+00 -3.179559112e+00 -2.204946664e+00 2.02 -1.139299675e+00 8.533946481e-01 -1.743793726e+00 -2.235828738e+00 -3.201589441e+00 -2.265593418e+00 2.04 -1.413588393e+00 4.672059260e-01 -1.802226884e+00 -2.361228114e+00 -3.217851992e+00 -2.318592388e+00 2.06 -1.664765790e+00 1.056447081e-01 -1.853697927e+00 -2.475047746e+00 -3.228724767e+00 -2.364475239e+00 2.08 -1.894263410e+00 -2.325255350e-01 -1.898716686e+00 -2.577985706e+00 -3.234566179e+00 -2.403739335e+00 2.10 -2.103430227e+00 -5.484843473e-01 -1.937760655e+00 -2.670703338e+00 -3.235717273e+00 -2.436849284e+00 2.12 -2.293537128e+00 -8.433568128e-01 -1.971276830e+00 -2.753827047e+00 -3.232503765e+00 -2.464238532e+00 2.14 -2.465781269e+00 -1.118215970e+00 -1.999683452e+00 -2.827949994e+00 -3.225237741e+00 -2.486311096e+00 2.16 -2.621290335e+00 -1.374085124e+00 -2.023371659e+00 -2.893633722e+00 -3.214218909e+00 -2.503443502e+00 2.18 -2.761126705e+00 -1.611940056e+00 -2.042707056e+00 -2.951409702e+00 -3.199735351e+00 -2.515986968e+00 2.20 -2.886291525e+00 -1.832711136e+00 -2.058031204e+00 -3.001780811e+00 -3.182063774e+00 -2.524269789e+00 2.22 -2.997728685e+00 -2.037285350e+00 -2.069663027e+00 -3.045222741e+00 -3.161469346e+00 -2.528599872e+00 2.24 -3.096328642e+00 -2.226508234e+00 -2.077900151e+00 -3.082185342e+00 -3.138205225e+00 -2.529267284e+00 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