# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--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 Bi Fe Bi Cu Bi Bi Cu Cu Cu Fe 0.02 4.359127350e+02 7.857617208e+02 1.167304935e+03 3.993693179e+02 7.829340873e+02 9.639337503e+02 0.04 4.135610337e+02 7.469762402e+02 1.107915284e+03 3.839306762e+02 7.430545669e+02 9.089149214e+02 0.06 3.924336874e+02 7.100016484e+02 1.051416510e+03 3.690533228e+02 7.050843869e+02 8.569058804e+02 0.08 3.724361364e+02 6.747591576e+02 9.976747367e+02 3.547175820e+02 6.689217745e+02 8.077585192e+02 0.10 3.534859964e+02 6.411726601e+02 9.465598220e+02 3.409044550e+02 6.344853070e+02 7.613256909e+02 0.12 3.355109610e+02 6.091687902e+02 8.979475664e+02 3.275955959e+02 6.016976631e+02 7.174659061e+02 0.14 3.184470944e+02 5.786769450e+02 8.517194825e+02 3.147732889e+02 5.704848119e+02 6.760435911e+02 0.16 3.022374410e+02 5.496292744e+02 8.077625543e+02 3.024204271e+02 5.407758592e+02 6.369291887e+02 0.18 2.868308926e+02 5.219606461e+02 7.659689851e+02 2.905204911e+02 5.125028841e+02 5.999991294e+02 0.20 2.721812658e+02 4.956085954e+02 7.262359506e+02 2.790575292e+02 4.856008354e+02 5.651357284e+02 0.22 2.582465483e+02 4.705132604e+02 6.884653726e+02 2.680161375e+02 4.600074466e+02 5.322270509e+02 0.24 2.449882838e+02 4.466173098e+02 6.525637090e+02 2.573814420e+02 4.356631342e+02 5.011667558e+02 0.26 2.323710681e+02 4.238658641e+02 6.184417536e+02 2.471390795e+02 4.125108823e+02 4.718539158e+02 0.28 2.203621365e+02 4.022064136e+02 5.860144421e+02 2.372751812e+02 3.904961259e+02 4.441928178e+02 0.30 2.089310242e+02 3.815887336e+02 5.552006641e+02 2.277763551e+02 3.695666415e+02 4.180927489e+02 0.32 1.980492863e+02 3.619647999e+02 5.259230815e+02 2.186296706e+02 3.496724486e+02 3.934677764e+02 0.34 1.876902665e+02 3.432887037e+02 4.981079556e+02 2.098226419e+02 3.307657192e+02 3.702365274e+02 0.36 1.778289042e+02 3.255165683e+02 4.716849821e+02 2.013432138e+02 3.128006951e+02 3.483219718e+02 0.38 1.684415743e+02 3.086064664e+02 4.465871341e+02 1.931797466e+02 2.957336069e+02 3.276512111e+02 0.40 1.595059517e+02 2.925183409e+02 4.227505131e+02 1.853210022e+02 2.795225973e+02 3.081552738e+02 0.42 1.510008972e+02 2.772139259e+02 4.001142072e+02 1.777561303e+02 2.641276440e+02 2.897689191e+02 0.44 1.429063609e+02 2.626566719e+02 3.786201555e+02 1.704746555e+02 2.495104850e+02 2.724304471e+02 0.46 1.352032983e+02 2.488116725e+02 3.582130187e+02 1.634664645e+02 2.356345452e+02 2.560815169e+02 0.48 1.278735986e+02 2.356455942e+02 3.388400557e+02 1.567217937e+02 2.224648649e+02 2.406669727e+02 0.50 1.209000219e+02 2.231266082e+02 3.204510044e+02 1.502312178e+02 2.099680309e+02 2.261346764e+02 0.52 1.142661439e+02 2.112243256e+02 3.029979694e+02 1.439856375e+02 1.981121108e+02 2.124353481e+02 0.54 1.079563073e+02 1.999097343e+02 2.864353126e+02 1.379762695e+02 1.868665888e+02 1.995224141e+02 0.56 1.019555776e+02 1.891551391e+02 2.707195498e+02 1.321946348e+02 1.762023061e+02 1.873518616e+02 0.58 9.624970366e+01 1.789341042e+02 2.558092517e+02 1.266325491e+02 1.660914031e+02 1.758821006e+02 0.60 9.082508222e+01 1.692213972e+02 2.416649489e+02 1.212821123e+02 1.565072642e+02 1.650738332e+02 0.62 8.566872461e+01 1.599929367e+02 2.282490413e+02 1.161356991e+02 1.474244659e+02 1.548899289e+02 0.64 8.076822665e+01 1.512257412e+02 2.155257118e+02 1.111859498e+02 1.388187267e+02 1.452953068e+02 0.66 7.611174060e+01 1.428978805e+02 2.034608438e+02 1.064257608e+02 1.306668596e+02 1.362568240e+02 0.68 7.168794893e+01 1.349884290e+02 1.920219425e+02 1.018482764e+02 1.229467259e+02 1.277431699e+02 0.70 6.748603989e+01 1.274774215e+02 1.811780598e+02 9.744688006e+01 1.156371916e+02 1.197247663e+02 0.72 6.349568448e+01 1.203458098e+02 1.708997226e+02 9.321518631e+01 1.087180854e+02 1.121736727e+02 0.74 5.970701467e+01 1.135754228e+02 1.611588643e+02 8.914703294e+01 1.021701581e+02 1.050634969e+02 0.76 5.611060293e+01 1.071489264e+02 1.519287600e+02 8.523647335e+01 9.597504355e+01 9.836931028e+01 0.78 5.269744271e+01 1.010497871e+02 1.431839637e+02 8.147776920e+01 9.011522120e+01 9.206756821e+01 0.80 4.945892989e+01 9.526223530e+01 1.349002495e+02 7.786538329e+01 8.457398011e+01 8.613603393e+01 0.82 4.638684521e+01 8.977123188e+01 1.270545544e+02 7.439397272e+01 7.933538414e+01 8.055370730e+01 0.84 4.347333744e+01 8.456243496e+01 1.196249245e+02 7.105838222e+01 7.438423850e+01 7.530075706e+01 0.86 4.071090734e+01 7.962216877e+01 1.125904635e+02 6.785363772e+01 6.970605762e+01 7.035845679e+01 0.88 3.809239237e+01 7.493739373e+01 1.059312830e+02 6.477494020e+01 6.528703420e+01 6.570912442e+01 0.90 3.561095203e+01 7.049567777e+01 9.962845586e+01 6.181765967e+01 6.111400952e+01 6.133606488e+01 0.92 3.326005389e+01 6.628516901e+01 9.366397092e+01 5.897732935e+01 5.717444486e+01 5.722351600e+01 0.94 3.103346018e+01 6.229456951e+01 8.802069045e+01 5.624964011e+01 5.345639411e+01 5.335659711e+01 0.96 2.892521499e+01 5.851311032e+01 8.268230908e+01 5.363043505e+01 4.994847748e+01 4.972126064e+01 0.98 2.692963203e+01 5.493052746e+01 7.763331468e+01 5.111570427e+01 4.663985631e+01 4.630424613e+01 1.00 2.504128282e+01 5.153703913e+01 7.285895115e+01 4.870157980e+01 4.352020884e+01 4.309303689e+01 1.02 2.325498552e+01 4.832332377e+01 6.834518278e+01 4.638433075e+01 4.057970715e+01 4.007581884e+01 1.04 2.156579414e+01 4.528049918e+01 6.407866026e+01 4.416035858e+01 3.780899493e+01 3.724144169e+01 1.06 1.996898819e+01 4.240010252e+01 6.004668828e+01 4.202619252e+01 3.519916630e+01 3.457938216e+01 1.08 1.846006290e+01 3.967407121e+01 5.623719455e+01 3.997848521e+01 3.274174549e+01 3.207970924e+01 1.10 1.703471966e+01 3.709472468e+01 5.263870030e+01 3.801400839e+01 3.042866741e+01 2.973305129e+01 1.12 1.568885706e+01 3.465474691e+01 4.924029207e+01 3.612964884e+01 2.825225907e+01 2.753056494e+01 1.14 1.441856215e+01 3.234716973e+01 4.603159489e+01 3.432240436e+01 2.620522182e+01 2.546390575e+01 1.16 1.322010220e+01 3.016535690e+01 4.300274655e+01 3.258937997e+01 2.428061434e+01 2.352520032e+01 1.18 1.208991672e+01 2.810298889e+01 4.014437324e+01 3.092778417e+01 2.247183640e+01 2.170702014e+01 1.20 1.102460986e+01 2.615404831e+01 3.744756614e+01 2.933492538e+01 2.077261331e+01 2.000235669e+01 1.22 1.002094311e+01 2.431280599e+01 3.490385924e+01 2.780820845e+01 1.917698107e+01 1.840459799e+01 1.24 9.075828378e+00 2.257380772e+01 3.250520807e+01 2.634513135e+01 1.767927214e+01 1.690750647e+01 1.26 8.186321259e+00 2.093186155e+01 3.024396953e+01 2.494328190e+01 1.627410189e+01 1.550519797e+01 1.28 7.349614689e+00 1.938202566e+01 2.811288259e+01 2.360033469e+01 1.495635558e+01 1.419212200e+01 1.30 6.563032811e+00 1.791959676e+01 2.610504986e+01 2.231404802e+01 1.372117592e+01 1.296304304e+01 1.32 5.824025135e+00 1.654009907e+01 2.421392017e+01 2.108226101e+01 1.256395124e+01 1.181302287e+01 1.34 5.130160934e+00 1.523927371e+01 2.243327176e+01 1.990289078e+01 1.148030405e+01 1.073740394e+01 1.36 4.479123895e+00 1.401306862e+01 2.075719645e+01 1.877392975e+01 1.046608026e+01 9.731793578e+00 1.38 3.868706985e+00 1.285762893e+01 1.918008442e+01 1.769344298e+01 9.517338678e+00 8.792049158e+00 1.40 3.296807554e+00 1.176928774e+01 1.769660977e+01 1.665956565e+01 8.630341155e+00 7.914264060e+00 1.42 2.761422640e+00 1.074455734e+01 1.630171674e+01 1.567050061e+01 7.801543009e+00 7.094754407e+00 1.44 2.260644485e+00 9.780120827e+00 1.499060660e+01 1.472451601e+01 7.027583950e+00 6.330046564e+00 1.46 1.792656239e+00 8.872824072e+00 1.375872514e+01 1.381994302e+01 6.305279365e+00 5.616865320e+00 1.48 1.355727855e+00 8.019668080e+00 1.260175074e+01 1.295517361e+01 5.631611987e+00 4.952122740e+00 1.50 9.482121620e-01 7.217801689e+00 1.151558304e+01 1.212865843e+01 5.003723934e+00 4.332907640e+00 1.52 5.685411092e-01 6.464514593e+00 1.049633209e+01 1.133890475e+01 4.418909078e+00 3.756475647e+00 1.54 2.152221745e-01 5.757230695e+00 9.540308120e+00 1.058447443e+01 3.874605765e+00 3.220239823e+00 1.56 -1.131650729e-01 5.093501748e+00 8.644011649e+00 9.863982084e+00 3.368389833e+00 2.721761804e+00 1.58 -4.179722531e-01 4.471001302e+00 7.804124194e+00 9.176093133e+00 2.897967958e+00 2.258743453e+00 1.60 -7.004853201e-01 3.887518913e+00 7.017499338e+00 8.519522071e+00 2.461171263e+00 1.829018957e+00 1.62 -9.619275607e-01 3.340954628e+00 6.281154269e+00 7.893030716e+00 2.055949240e+00 1.430547390e+00 1.64 -1.203462468e+00 2.829313714e+00 5.592261693e+00 7.295426535e+00 1.680363911e+00 1.061405676e+00 1.66 -1.426196485e+00 2.350701638e+00 4.948142151e+00 6.725561041e+00 1.332584264e+00 7.197819567e-01 1.68 -1.631181629e+00 1.903319269e+00 4.346256694e+00 6.182328225e+00 1.010880933e+00 4.039693251e-01 1.70 -1.819418001e+00 1.485458306e+00 3.784199906e+00 5.664663057e+00 7.136211122e-01 1.123599105e-01 1.72 -1.991856188e+00 1.095496918e+00 3.259693267e+00 5.171540032e+00 4.392636996e-01 -1.565607019e-01 1.74 -2.149399569e+00 7.318955757e-01 2.770578824e+00 4.701971767e+00 1.863546573e-01 -4.042187452e-01 1.76 -2.292906522e+00 3.931930938e-01 2.314813179e+00 4.255007644e+00 -4.647741250e-02 -6.319572413e-01 1.78 -2.423192550e+00 7.800283599e-02 1.890461745e+00 3.829732509e+00 -2.605255018e-01 -8.410407047e-01 1.80 -2.541032314e+00 -2.149908867e-01 1.495693298e+00 3.425265401e+00 -4.570082240e-01 -1.032659571e+00 1.82 -2.647161577e+00 -4.870362629e-01 1.128774775e+00 3.040758339e+00 -6.370736699e-01 -1.207934389e+00 1.84 -2.742279016e+00 -7.393172572e-01 7.880663321e-01 2.675395145e+00 -8.018030738e-01 -1.367919770e+00 1.86 -2.827047899e+00 -9.729567422e-01 4.720166323e-01 2.328390303e+00 -9.522143191e-01 -1.513608123e+00 1.88 -2.902097573e+00 -1.189019478e+00 1.791583667e-01 1.998987868e+00 -1.089265273e+00 -1.645933178e+00 1.90 -2.968024758e+00 -1.388514957e+00 -9.189601226e-02 1.686460402e+00 -1.213856969e+00 -1.765773306e+00 1.92 -3.025394671e+00 -1.572400109e+00 -3.424583508e-01 1.390107957e+00 -1.326836637e+00 -1.873954654e+00 1.94 -3.074742021e+00 -1.741581891e+00 -5.737686554e-01 1.109257085e+00 -1.429000591e+00 -1.971254088e+00 1.96 -3.116571970e+00 -1.896919740e+00 -7.869987722e-01 8.432598860e-01 -1.521096978e+00 -2.058401941e+00 1.98 -3.151361191e+00 -2.039227921e+00 -9.832558813e-01 5.914930889e-01 -1.603828390e+00 -2.136084564e+00 2.00 -3.179559112e+00 -2.169277763e+00 -1.163585830e+00 3.533571645e-01 -1.677854361e+00 -2.204946664e+00 2.02 -3.201589441e+00 -2.287799785e+00 -1.328976293e+00 1.282754695e-01 -1.743793726e+00 -2.265593418e+00 2.04 -3.217851992e+00 -2.395485726e+00 -1.480359792e+00 -8.430658180e-02 -1.802226884e+00 -2.318592388e+00 2.06 -3.228724767e+00 -2.492990473e+00 -1.618616554e+00 -2.849223136e-01 -1.853697927e+00 -2.364475239e+00 2.08 -3.234566179e+00 -2.580933903e+00 -1.744577242e+00 -4.740845599e-01 -1.898716686e+00 -2.403739335e+00 2.10 -3.235717273e+00 -2.659902627e+00 -1.859025543e+00 -6.522864069e-01 -1.937760655e+00 -2.436849284e+00 2.12 -3.232503765e+00 -2.730451634e+00 -1.962700635e+00 -8.200019106e-01 -1.971276830e+00 -2.464238532e+00 2.14 -3.225237741e+00 -2.793105842e+00 -2.056299528e+00 -9.776867887e-01 -1.999683452e+00 -2.486311096e+00 2.16 -3.214218909e+00 -2.848361511e+00 -2.140479294e+00 -1.125779089e+00 -2.023371659e+00 -2.503443502e+00 2.18 -3.199735351e+00 -2.896687532e+00 -2.215859182e+00 -1.264699832e+00 -2.042707056e+00 -2.515986968e+00 2.20 -3.182063774e+00 -2.938526547e+00 -2.283022634e+00 -1.394853636e+00 -2.058031204e+00 -2.524269789e+00 2.22 -3.161469346e+00 -2.974295921e+00 -2.342519196e+00 -1.516629315e+00 -2.069663027e+00 -2.528599872e+00 2.24 -3.138205225e+00 -3.004388565e+00 -2.394866334e+00 -1.630400459e+00 -2.077900151e+00 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