# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Sb # implementation = 2026--Park-J-H--Fe-Cu-Sb--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 Fe Sb Sb Cu Sb Fe Sb Cu Fe Cu Cu 0.02 4.359127350e+02 2.335594509e+02 -1.307603002e+01 9.224178847e+01 9.639337503e+02 7.829340873e+02 0.04 4.135610337e+02 2.238385563e+02 -9.709798873e+00 8.920591281e+01 9.089149214e+02 7.430545669e+02 0.06 3.924336874e+02 2.144843307e+02 -6.646862457e+00 8.615456090e+01 8.569058804e+02 7.050843869e+02 0.08 3.724361364e+02 2.054836852e+02 -3.864345420e+00 8.311007032e+01 8.077585192e+02 6.689217745e+02 0.10 3.534859964e+02 1.968239815e+02 -1.343600080e+00 8.008962355e+01 7.613256909e+02 6.344853070e+02 0.12 3.355109610e+02 1.884930171e+02 9.329231088e-01 7.710636413e+01 7.174659061e+02 6.016976631e+02 0.14 3.184470944e+02 1.804790106e+02 2.981776480e+00 7.417027243e+01 6.760435911e+02 5.704848119e+02 0.16 3.022374410e+02 1.727705872e+02 4.818585591e+00 7.128885188e+01 6.369291887e+02 5.407758592e+02 0.18 2.868308926e+02 1.653567654e+02 6.458089116e+00 6.846766644e+01 5.999991294e+02 5.125028841e+02 0.20 2.721812658e+02 1.582269436e+02 7.914170068e+00 6.571076154e+01 5.651357284e+02 4.856008354e+02 0.22 2.582465483e+02 1.513708875e+02 9.199896914e+00 6.302099315e+01 5.322270509e+02 4.600074466e+02 0.24 2.449882838e+02 1.447787174e+02 1.032757111e+01 6.040028553e+01 5.011667558e+02 4.356631342e+02 0.26 2.323710681e+02 1.384408964e+02 1.130877274e+01 5.784983255e+01 4.718539158e+02 4.125108823e+02 0.28 2.203621365e+02 1.323482190e+02 1.215440076e+01 5.537025531e+01 4.441928178e+02 3.904961259e+02 0.30 2.089310242e+02 1.264917997e+02 1.287470793e+01 5.296172540e+01 4.180927489e+02 3.695666415e+02 0.32 1.980492863e+02 1.208630621e+02 1.347933237e+01 5.062406143e+01 3.934677764e+02 3.496724486e+02 0.34 1.876902665e+02 1.154537287e+02 1.397732746e+01 4.835680462e+01 3.702365274e+02 3.307657192e+02 0.36 1.778289042e+02 1.102558107e+02 1.437719099e+01 4.615927821e+01 3.483219718e+02 3.128006951e+02 0.38 1.684415743e+02 1.052615980e+02 1.468689404e+01 4.403063410e+01 3.276512111e+02 2.957336069e+02 0.40 1.595059517e+02 1.004636503e+02 1.491390925e+01 4.196988962e+01 3.081552738e+02 2.795225973e+02 0.42 1.510008972e+02 9.585478718e+01 1.506523836e+01 3.997595671e+01 2.897689191e+02 2.641276440e+02 0.44 1.429063609e+02 9.142807993e+01 1.514743866e+01 3.804766490e+01 2.724304471e+02 2.495104850e+02 0.46 1.352032983e+02 8.717684266e+01 1.516664807e+01 3.618377985e+01 2.560815169e+02 2.356345452e+02 0.48 1.278735986e+02 8.309462415e+01 1.512860890e+01 3.438301808e+01 2.406669727e+02 2.224648649e+02 0.50 1.209000219e+02 7.917519984e+01 1.503869011e+01 3.264405893e+01 2.261346764e+02 2.099680309e+02 0.52 1.142661439e+02 7.541256412e+01 1.490190817e+01 3.096555425e+01 2.124353481e+02 1.981121108e+02 0.54 1.079563073e+02 7.180092284e+01 1.472294673e+01 2.934613637e+01 1.995224141e+02 1.868665888e+02 0.56 1.019555776e+02 6.833468614e+01 1.450617504e+01 2.778442468e+01 1.873518616e+02 1.762023061e+02 0.58 9.624970366e+01 6.500846145e+01 1.425566536e+01 2.627903106e+01 1.758821006e+02 1.660914031e+02 0.60 9.082508222e+01 6.181704672e+01 1.397520945e+01 2.482856454e+01 1.650738332e+02 1.565072642e+02 0.62 8.566872461e+01 5.875542396e+01 1.366833413e+01 2.343163517e+01 1.548899289e+02 1.474244659e+02 0.64 8.076822665e+01 5.581875290e+01 1.333831623e+01 2.208685736e+01 1.452953068e+02 1.388187267e+02 0.66 7.611174060e+01 5.300236492e+01 1.298819664e+01 2.079285272e+01 1.362568240e+02 1.306668596e+02 0.68 7.168794893e+01 5.030175715e+01 1.262079390e+01 1.954825257e+01 1.277431699e+02 1.229467259e+02 0.70 6.748603989e+01 4.771258679e+01 1.223871699e+01 1.835170010e+01 1.197247663e+02 1.156371916e+02 0.72 6.349568448e+01 4.523066561e+01 1.184437764e+01 1.720185219e+01 1.121736727e+02 1.087180854e+02 0.74 5.970701467e+01 4.285195466e+01 1.144000204e+01 1.609738112e+01 1.050634969e+02 1.021701581e+02 0.76 5.611060293e+01 4.057255906e+01 1.102764198e+01 1.503697600e+01 9.836931028e+01 9.597504355e+01 0.78 5.269744271e+01 3.838872314e+01 1.060918543e+01 1.401934400e+01 9.206756821e+01 9.011522120e+01 0.80 4.945892989e+01 3.629682556e+01 1.018636667e+01 1.304321149e+01 8.613603393e+01 8.457398011e+01 0.82 4.638684521e+01 3.429337470e+01 9.760775813e+00 1.210732500e+01 8.055370730e+01 7.933538414e+01 0.84 4.347333744e+01 3.237500421e+01 9.333867879e+00 1.121045202e+01 7.530075706e+01 7.438423850e+01 0.86 4.071090734e+01 3.053846864e+01 8.906971414e+00 1.035138177e+01 7.035845679e+01 6.970605762e+01 0.88 3.809239237e+01 2.878063927e+01 8.481296580e+00 9.528925765e+00 6.570912442e+01 6.528703420e+01 0.90 3.561095203e+01 2.709850005e+01 8.057942850e+00 8.741918383e+00 6.133606488e+01 6.111400952e+01 0.92 3.326005389e+01 2.548914376e+01 7.637906240e+00 7.989217249e+00 5.722351600e+01 5.717444486e+01 0.94 3.103346018e+01 2.394976814e+01 7.222086157e+00 7.269703608e+00 5.335659711e+01 5.345639411e+01 0.96 2.892521499e+01 2.247767231e+01 6.811291826e+00 6.582282587e+00 4.972126064e+01 4.994847748e+01 0.98 2.692963203e+01 2.107025323e+01 6.406248372e+00 5.925883403e+00 4.630424613e+01 4.663985631e+01 1.00 2.504128282e+01 1.972500227e+01 6.007602528e+00 5.299459500e+00 4.309303689e+01 4.352020884e+01 1.02 2.325498552e+01 1.843950196e+01 5.615928013e+00 4.701988630e+00 4.007581884e+01 4.057970715e+01 1.04 2.156579414e+01 1.721142280e+01 5.231730599e+00 4.132472881e+00 3.724144169e+01 3.780899493e+01 1.06 1.996898819e+01 1.603852015e+01 4.855452866e+00 3.589938651e+00 3.457938216e+01 3.519916630e+01 1.08 1.846006290e+01 1.491863133e+01 4.487478689e+00 3.073436584e+00 3.207970924e+01 3.274174549e+01 1.10 1.703471966e+01 1.384967269e+01 4.128137443e+00 2.582041457e+00 2.973305129e+01 3.042866741e+01 1.12 1.568885706e+01 1.282963689e+01 3.777707971e+00 2.114852032e+00 2.753056494e+01 2.825225907e+01 1.14 1.441856215e+01 1.185659020e+01 3.436422303e+00 1.670990875e+00 2.546390575e+01 2.620522182e+01 1.16 1.322010220e+01 1.092866993e+01 3.104469167e+00 1.249604141e+00 2.352520032e+01 2.428061434e+01 1.18 1.208991672e+01 1.004408191e+01 2.781997273e+00 8.498613296e-01 2.170702014e+01 2.247183640e+01 1.20 1.102460986e+01 9.201098120e+00 2.469118418e+00 4.709550208e-01 2.000235669e+01 2.077261331e+01 1.22 1.002094311e+01 8.398054319e+00 2.165910388e+00 1.121005790e-01 1.840459799e+01 1.917698107e+01 1.24 9.075828378e+00 7.633347824e+00 1.872419700e+00 -2.274641565e-01 1.690750647e+01 1.767927214e+01 1.26 8.186321259e+00 6.905435330e+00 1.588664171e+00 -5.484792019e-01 1.550519797e+01 1.627410189e+01 1.28 7.349614689e+00 6.212830809e+00 1.314635327e+00 -8.516627763e-01 1.419212200e+01 1.495635558e+01 1.30 6.563032811e+00 5.554103490e+00 1.050300680e+00 -1.137711661e+00 1.296304304e+01 1.372117592e+01 1.32 5.824025135e+00 4.927875896e+00 7.956058492e-01 -1.407301575e+00 1.181302287e+01 1.256395124e+01 1.34 5.130160934e+00 4.332821959e+00 5.504765659e-01 -1.661087555e+00 1.073740394e+01 1.148030405e+01 1.36 4.479123895e+00 3.767665193e+00 3.148205413e-01 -1.899704349e+00 9.731793578e+00 1.046608026e+01 1.38 3.868706985e+00 3.231176931e+00 8.852922866e-02 -2.123766819e+00 8.792049158e+00 9.517338678e+00 1.40 3.296807554e+00 2.722174628e+00 -1.285205333e-01 -2.333870341e+00 7.914264060e+00 8.630341155e+00 1.42 2.761422640e+00 2.239520211e+00 -3.364649769e-01 -2.530591222e+00 7.094754407e+00 7.801543009e+00 1.44 2.260644485e+00 1.782118497e+00 -5.354519652e-01 -2.714487107e+00 6.330046564e+00 7.027583950e+00 1.46 1.792656239e+00 1.348915661e+00 -7.256396426e-01 -2.886097403e+00 5.616865320e+00 6.305279365e+00 1.48 1.355727855e+00 9.388977557e-01 -9.071951769e-01 -3.045943692e+00 4.952122740e+00 5.631611987e+00 1.50 9.482121620e-01 5.510892816e-01 -1.080293584e+00 -3.194530148e+00 4.332907640e+00 5.003723934e+00 1.52 5.685411092e-01 1.845518121e-01 -1.245116636e+00 -3.332343960e+00 3.756475647e+00 4.418909078e+00 1.54 2.152221745e-01 -1.616173403e-01 -1.401851837e+00 -3.459855746e+00 3.220239823e+00 3.874605765e+00 1.56 -1.131650729e-01 -4.882864077e-01 -1.550691484e+00 -3.577519967e+00 2.721761804e+00 3.368389833e+00 1.58 -4.179722531e-01 -7.962904083e-01 -1.691831780e+00 -3.685775341e+00 2.258743453e+00 2.897967958e+00 1.60 -7.004853201e-01 -1.086432343e+00 -1.825472028e+00 -3.785045251e+00 1.829018957e+00 2.461171263e+00 1.62 -9.619275607e-01 -1.359484353e+00 -1.951813870e+00 -3.875738152e+00 1.430547390e+00 2.055949240e+00 1.64 -1.203462468e+00 -1.616188832e+00 -2.071060596e+00 -3.958247972e+00 1.061405676e+00 1.680363911e+00 1.66 -1.426196485e+00 -1.857259507e+00 -2.183416499e+00 -4.032954507e+00 7.197819567e-01 1.332584264e+00 1.68 -1.631181629e+00 -2.083382477e+00 -2.289086290e+00 -4.100223816e+00 4.039693251e-01 1.010880933e+00 1.70 -1.819418001e+00 -2.295217215e+00 -2.388274552e+00 -4.160408603e+00 1.123599105e-01 7.136211122e-01 1.72 -1.991856188e+00 -2.493397536e+00 -2.481185248e+00 -4.213848604e+00 -1.565607019e-01 4.392636996e-01 1.74 -2.149399569e+00 -2.678532533e+00 -2.568021267e+00 -4.260870956e+00 -4.042187452e-01 1.863546573e-01 1.76 -2.292906522e+00 -2.851207480e+00 -2.648984014e+00 -4.301790570e+00 -6.319572413e-01 -4.647741250e-02 1.78 -2.423192550e+00 -3.011984698e+00 -2.724273036e+00 -4.336910489e+00 -8.410407047e-01 -2.605255018e-01 1.80 -2.541032314e+00 -3.161404398e+00 -2.794085688e+00 -4.366522250e+00 -1.032659571e+00 -4.570082240e-01 1.82 -2.647161577e+00 -3.299985491e+00 -2.858616827e+00 -4.390906227e+00 -1.207934389e+00 -6.370736699e-01 1.84 -2.742279016e+00 -3.428226370e+00 -2.918058543e+00 -4.410331979e+00 -1.367919770e+00 -8.018030738e-01 1.86 -2.827047899e+00 -3.546605664e+00 -2.972599918e+00 -4.425058579e+00 -1.513608123e+00 -9.522143191e-01 1.88 -2.902097573e+00 -3.655582965e+00 -3.022426810e+00 -4.435334951e+00 -1.645933178e+00 -1.089265273e+00 1.90 -2.968024758e+00 -3.755599532e+00 -3.067721673e+00 -4.441400185e+00 -1.765773306e+00 -1.213856969e+00 1.92 -3.025394671e+00 -3.847078969e+00 -3.108663388e+00 -4.443483861e+00 -1.873954654e+00 -1.326836637e+00 1.94 -3.074742021e+00 -3.930427876e+00 -3.145427125e+00 -4.441806362e+00 -1.971254088e+00 -1.429000591e+00 1.96 -3.116571970e+00 -4.006036483e+00 -3.178184229e+00 -4.436579189e+00 -2.058401941e+00 -1.521096978e+00 1.98 -3.151361191e+00 -4.074279256e+00 -3.207102115e+00 -4.428005282e+00 -2.136084564e+00 -1.603828390e+00 2.00 -3.179559112e+00 -4.135515487e+00 -3.232344192e+00 -4.416279337e+00 -2.204946664e+00 -1.677854361e+00 2.02 -3.201589441e+00 -4.190089857e+00 -3.254069801e+00 -4.401588120e+00 -2.265593418e+00 -1.743793726e+00 2.04 -3.217851992e+00 -4.238332989e+00 -3.272434162e+00 -4.384110743e+00 -2.318592388e+00 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