# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-As # implementation = 2026--Park-J-H--Fe-Cu-As--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 Cu Cu As Fe As As Cu Fe As Cu 0.02 4.359127350e+02 7.829340873e+02 8.903606673e+01 3.097241533e+03 9.639337503e+02 -2.269834281e+02 0.04 4.135610337e+02 7.430545669e+02 8.836428646e+01 2.931024982e+03 9.089149214e+02 -2.071658542e+02 0.06 3.924336874e+02 7.050843869e+02 8.737066720e+01 2.773363053e+03 8.569058804e+02 -1.888300731e+02 0.08 3.724361364e+02 6.689217745e+02 8.610874409e+01 2.623831178e+03 8.077585192e+02 -1.718731744e+02 0.10 3.534859964e+02 6.344853070e+02 8.462369236e+01 2.482025202e+03 7.613256909e+02 -1.562026788e+02 0.12 3.355109610e+02 6.016976631e+02 8.295385162e+01 2.347560426e+03 7.174659061e+02 -1.417318970e+02 0.14 3.184470944e+02 5.704848119e+02 8.113194188e+01 2.220070695e+03 6.760435911e+02 -1.283795282e+02 0.16 3.022374410e+02 5.407758592e+02 7.918603504e+01 2.099207533e+03 6.369291887e+02 -1.160693173e+02 0.18 2.868308926e+02 5.125028841e+02 7.714033332e+01 1.984639308e+03 5.999991294e+02 -1.047297685e+02 0.20 2.721812658e+02 4.856008354e+02 7.501579536e+01 1.876050443e+03 5.651357284e+02 -9.429388534e+01 0.22 2.582465483e+02 4.600074466e+02 7.283064118e+01 1.773140663e+03 5.322270509e+02 -8.469890889e+01 0.24 2.449882838e+02 4.356631342e+02 7.060076207e+01 1.675624270e+03 5.011667558e+02 -7.588605973e+01 0.26 2.323710681e+02 4.125108823e+02 6.834005423e+01 1.583229460e+03 4.718539158e+02 -6.780029369e+01 0.28 2.203621365e+02 3.904961259e+02 6.606069278e+01 1.495697666e+03 4.441928178e+02 -6.039007566e+01 0.30 2.089310242e+02 3.695666415e+02 6.377335750e+01 1.412782931e+03 4.180927489e+02 -5.360717130e+01 0.32 1.980492863e+02 3.496724486e+02 6.148742086e+01 1.334251313e+03 3.934677764e+02 -4.740645251e+01 0.34 1.876902665e+02 3.307657192e+02 5.921110528e+01 1.259880315e+03 3.702365274e+02 -4.174571466e+01 0.36 1.778289042e+02 3.128006951e+02 5.695161605e+01 1.189458343e+03 3.483219718e+02 -3.658550285e+01 0.38 1.684415743e+02 2.957336069e+02 5.471525452e+01 1.122784187e+03 3.276512111e+02 -3.188894692e+01 0.40 1.595059517e+02 2.795225973e+02 5.250751532e+01 1.059666528e+03 3.081552738e+02 -2.762160456e+01 0.42 1.510008972e+02 2.641276440e+02 5.033317046e+01 9.999234657e+02 2.897689191e+02 -2.375131257e+01 0.44 1.429063609e+02 2.495104850e+02 4.819634284e+01 9.433820715e+02 2.724304471e+02 -2.024804649e+01 0.46 1.352032983e+02 2.356345452e+02 4.610057090e+01 8.898779574e+02 2.560815169e+02 -1.708378800e+01 0.48 1.278735986e+02 2.224648649e+02 4.404886577e+01 8.392548698e+02 2.406669727e+02 -1.423240065e+01 0.50 1.209000219e+02 2.099680309e+02 4.204376240e+01 7.913642980e+02 2.261346764e+02 -1.166951274e+01 0.52 1.142661439e+02 1.981121108e+02 4.008736530e+01 7.460651043e+02 2.124353481e+02 -9.372407695e+00 0.54 1.079563073e+02 1.868665888e+02 3.818138974e+01 7.032231692e+02 1.995224141e+02 -7.319920971e+00 0.56 1.019555776e+02 1.762023061e+02 3.632719915e+01 6.627110539e+02 1.873518616e+02 -5.492343352e+00 0.58 9.624970366e+01 1.660914031e+02 3.452583901e+01 6.244076781e+02 1.758821006e+02 -3.871330026e+00 0.60 9.082508222e+01 1.565072642e+02 3.277806779e+01 5.881980137e+02 1.650738332e+02 -2.439815119e+00 0.62 8.566872461e+01 1.474244659e+02 3.108438517e+01 5.539727920e+02 1.548899289e+02 -1.181931313e+00 0.64 8.076822665e+01 1.388187267e+02 2.944505790e+01 5.216282244e+02 1.452953068e+02 -8.293411297e-02 0.66 7.611174060e+01 1.306668596e+02 2.786014353e+01 4.910657369e+02 1.362568240e+02 8.708693533e-01 0.68 7.168794893e+01 1.229467259e+02 2.632951210e+01 4.621917162e+02 1.277431699e+02 1.692187525e+00 0.70 6.748603989e+01 1.156371916e+02 2.485286615e+01 4.349172675e+02 1.197247663e+02 2.392807530e+00 0.72 6.349568448e+01 1.087180854e+02 2.342975908e+01 4.091579840e+02 1.121736727e+02 2.983654783e+00 0.74 5.970701467e+01 1.021701581e+02 2.205961195e+01 3.848337259e+02 1.050634969e+02 3.474848942e+00 0.76 5.611060293e+01 9.597504355e+01 2.074172904e+01 3.618684104e+02 9.836931028e+01 3.875756692e+00 0.78 5.269744271e+01 9.011522120e+01 1.947531199e+01 3.401898100e+02 9.206756821e+01 4.195041307e+00 0.80 4.945892989e+01 8.457398011e+01 1.825947298e+01 3.197293608e+02 8.613603393e+01 4.440709297e+00 0.82 4.638684521e+01 7.933538414e+01 1.709324664e+01 3.004219781e+02 8.055370730e+01 4.620154233e+00 0.84 4.347333744e+01 7.438423850e+01 1.597560108e+01 2.822058810e+02 7.530075706e+01 4.740197891e+00 0.86 4.071090734e+01 6.970605762e+01 1.490544805e+01 2.650224237e+02 7.035845679e+01 4.807128919e+00 0.88 3.809239237e+01 6.528703420e+01 1.388165213e+01 2.488159354e+02 6.570912442e+01 4.826739057e+00 0.90 3.561095203e+01 6.111400952e+01 1.290303929e+01 2.335335663e+02 6.133606488e+01 4.804357176e+00 0.92 3.326005389e+01 5.717444486e+01 1.196840459e+01 2.191251418e+02 5.722351600e+01 4.744881114e+00 0.94 3.103346018e+01 5.345639411e+01 1.107651938e+01 2.055430223e+02 5.335659711e+01 4.652807573e+00 0.96 2.892521499e+01 4.994847748e+01 1.022613771e+01 1.927419723e+02 4.972126064e+01 4.532260060e+00 0.98 2.692963203e+01 4.663985631e+01 9.416002347e+00 1.806790345e+02 4.630424613e+01 4.387015104e+00 1.00 2.504128282e+01 4.352020884e+01 8.644848089e+00 1.693134128e+02 4.309303689e+01 4.220526745e+00 1.02 2.325498552e+01 4.057970715e+01 7.909728417e+00 1.586063621e+02 4.007581884e+01 4.035949478e+00 1.04 2.156579414e+01 3.780899493e+01 6.879320642e+00 1.485210861e+02 3.724144169e+01 3.836159700e+00 1.06 1.996898819e+01 3.519916630e+01 8.428806868e+00 1.390226427e+02 3.457938216e+01 3.623775763e+00 1.08 1.846006290e+01 3.274174549e+01 1.063813804e+01 1.300778570e+02 3.207970924e+01 3.401176734e+00 1.10 1.703471966e+01 3.042866741e+01 9.713706890e+00 1.216552427e+02 2.973305129e+01 3.170519902e+00 1.12 1.568885706e+01 2.825225907e+01 8.794746560e+00 1.137249302e+02 2.753056494e+01 2.933757168e+00 1.14 1.441856215e+01 2.620522182e+01 7.923193979e+00 1.062586028e+02 2.546390575e+01 2.692650318e+00 1.16 1.322010220e+01 2.428061434e+01 7.097897609e+00 9.922943941e+01 2.352520032e+01 2.448785319e+00 1.18 1.208991672e+01 2.247183640e+01 6.316999007e+00 9.261206373e+01 2.170702014e+01 2.203585644e+00 1.20 1.102460986e+01 2.077261331e+01 5.578669943e+00 8.638249848e+01 2.000235669e+01 1.958324721e+00 1.22 1.002094311e+01 1.917698107e+01 4.881135244e+00 8.051812464e+01 1.840459799e+01 1.714137544e+00 1.24 9.075828378e+00 1.767927214e+01 4.222673847e+00 7.499764371e+01 1.690750647e+01 1.472031511e+00 1.26 8.186321259e+00 1.627410189e+01 3.601618616e+00 6.980104193e+01 1.550519797e+01 1.232896529e+00 1.28 7.349614689e+00 1.495635558e+01 3.016355889e+00 6.490955500e+01 1.419212200e+01 9.975144398e-01 1.30 6.563032811e+00 1.372117592e+01 2.465324860e+00 6.030563146e+01 1.296304304e+01 7.665678111e-01 1.32 5.824025135e+00 1.256395124e+01 1.947016821e+00 5.597289321e+01 1.181302287e+01 5.406481212e-01 1.34 5.130160934e+00 1.148030405e+01 1.459974286e+00 5.189609133e+01 1.073740394e+01 3.202634002e-01 1.36 4.479123895e+00 1.046608026e+01 1.002790012e+00 4.806105580e+01 9.731793578e+00 1.058453330e-01 1.38 3.868706985e+00 9.517338678e+00 5.741059386e-01 4.445463780e+01 8.792049158e+00 -1.022441112e-01 1.40 3.296807554e+00 8.630341155e+00 1.726120711e-01 4.106464394e+01 7.914264060e+00 -3.037065205e-01 1.42 2.761422640e+00 7.801543009e+00 -2.029546888e-01 3.787976215e+01 7.094754407e+00 -4.983013007e-01 1.44 2.260644485e+00 7.027583950e+00 -5.538117377e-01 3.488948000e+01 6.330046564e+00 -6.858403452e-01 1.46 1.792656239e+00 6.305279365e+00 -8.811319829e-01 3.208399674e+01 5.616865320e+00 -8.661830788e-01 1.48 1.355727855e+00 5.631611987e+00 -1.186045058e+00 2.945413148e+01 4.952122740e+00 -1.039231858e+00 1.50 9.482121620e-01 5.003723934e+00 -1.469638532e+00 2.699123061e+01 4.332907640e+00 -1.204927707e+00 1.52 5.685411092e-01 4.418909078e+00 -1.732959103e+00 2.468707792e+01 3.756475647e+00 -1.363246364e+00 1.54 2.152221745e-01 3.874605765e+00 -1.977013769e+00 2.253381135e+01 3.220239823e+00 -1.514194629e+00 1.56 -1.131650729e-01 3.368389833e+00 -2.202770979e+00 2.052384998e+01 2.721761804e+00 -1.657806985e+00 1.58 -4.179722531e-01 2.897967958e+00 -2.411161741e+00 1.864983443e+01 2.258743453e+00 -1.794142493e+00 1.60 -7.004853201e-01 2.461171263e+00 -2.603080714e+00 1.690458270e+01 1.829018957e+00 -1.923281920e+00 1.62 -9.619275607e-01 2.055949240e+00 -2.779387255e+00 1.528106254e+01 1.430547390e+00 -2.045325115e+00 1.64 -1.203462468e+00 1.680363911e+00 -2.940906448e+00 1.377237983e+01 1.061405676e+00 -2.160388592e+00 1.66 -1.426196485e+00 1.332584264e+00 -3.088430088e+00 1.237178154e+01 7.197819567e-01 -2.268603334e+00 1.68 -1.631181629e+00 1.010880933e+00 -3.222717655e+00 1.107267037e+01 4.039693251e-01 -2.370112774e+00 1.70 -1.819418001e+00 7.136211122e-01 -3.344497247e+00 9.868627908e+00 1.123599105e-01 -2.465070970e+00 1.72 -1.991856188e+00 4.392636996e-01 -3.454466503e+00 8.753442478e+00 -1.565607019e-01 -2.553640934e+00 1.74 -2.149399569e+00 1.863546573e-01 -3.553293497e+00 7.721138295e+00 -4.042187452e-01 -2.635993136e+00 1.76 -2.292906522e+00 -4.647741250e-02 -3.641617622e+00 6.766002714e+00 -6.319572413e-01 -2.712304130e+00 1.78 -2.423192550e+00 -2.605255018e-01 -3.720050446e+00 5.882609199e+00 -8.410407047e-01 -2.782755328e+00 1.80 -2.541032314e+00 -4.570082240e-01 -3.789176557e+00 5.065834445e+00 -1.032659571e+00 -2.847531893e+00 1.82 -2.647161577e+00 -6.370736699e-01 -3.849554375e+00 4.310868770e+00 -1.207934389e+00 -2.906821735e+00 1.84 -2.742279016e+00 -8.018030738e-01 -3.901716951e+00 3.613219759e+00 -1.367919770e+00 -2.960814620e+00 1.86 -2.827047899e+00 -9.522143191e-01 -3.946172716e+00 2.968709558e+00 -1.513608123e+00 -3.009701360e+00 1.88 -2.902097573e+00 -1.089265273e+00 -3.983406214e+00 2.373466720e+00 -1.645933178e+00 -3.053673092e+00 1.90 -2.968024758e+00 -1.213856969e+00 -4.013878775e+00 1.823913657e+00 -1.765773306e+00 -3.092920628e+00 1.92 -3.025394671e+00 -1.326836637e+00 -4.038029169e+00 1.316750848e+00 -1.873954654e+00 -3.127633876e+00 1.94 -3.074742021e+00 -1.429000591e+00 -4.056274209e+00 8.489389363e-01 -1.971254088e+00 -3.158001318e+00 1.96 -3.116571970e+00 -1.521096978e+00 -4.069009347e+00 4.176796645e-01 -2.058401941e+00 -3.184209542e+00 1.98 -3.151361191e+00 -1.603828390e+00 -4.076609254e+00 2.039653538e-02 -2.136084564e+00 -3.206442824e+00 2.00 -3.179559112e+00 -1.677854361e+00 -4.079428425e+00 -3.452842109e-01 -2.204946664e+00 -3.224882757e+00 2.02 -3.201589441e+00 -1.743793726e+00 -4.077801814e+00 -6.815517661e-01 -2.265593418e+00 -3.239707914e+00 2.04 -3.217851992e+00 -1.802226884e+00 -4.072045545e+00 -9.904278011e-01 -2.318592388e+00 -3.251093550e+00 2.06 -3.228724767e+00 -1.853697927e+00 -4.062457700e+00 -1.273782153e+00 -2.364475239e+00 -3.259211344e+00 2.08 -3.234566179e+00 -1.898716686e+00 -4.049319201e+00 -1.533347114e+00 -2.403739335e+00 -3.264229157e+00 2.10 -3.235717273e+00 -1.937760655e+00 -4.032894790e+00 -1.770730272e+00 -2.436849284e+00 -3.266310835e+00 2.12 -3.232503765e+00 -1.971276830e+00 -4.013434093e+00 -1.987426003e+00 -2.464238532e+00 -3.265616030e+00 2.14 -3.225237741e+00 -1.999683452e+00 -3.991172740e+00 -2.184825657e+00 -2.486311096e+00 -3.262300047e+00 2.16 -3.214218909e+00 -2.023371659e+00 -3.966333509e+00 -2.364226591e+00 -2.503443502e+00 -3.256513715e+00 2.18 -3.199735351e+00 -2.042707056e+00 -3.939127445e+00 -2.526840132e+00 -2.515986968e+00 -3.248403287e+00 2.20 -3.182063774e+00 -2.058031204e+00 -3.909754917e+00 -2.673798621e+00 -2.524269789e+00 -3.238110348e+00 2.22 -3.161469346e+00 -2.069663027e+00 -3.878406552e+00 -2.806161632e+00 -2.528599872e+00 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