# Potential energy (eV/atom) vs. nearest neighbor 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 # composition = FeSb3 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2026-06-16 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 3.765645726e+02 nan nan 0.80 3.607427179e+02 nan nan 0.82 3.455308261e+02 nan nan 0.84 3.308787439e+02 2.579044506e+02 nan 0.86 3.167061720e+02 2.478132390e+02 2.213109451e+02 0.88 3.028862574e+02 2.379421313e+02 2.024695942e+02 0.90 2.892355268e+02 2.280472078e+02 1.854690442e+02 0.92 2.755207649e+02 2.176845724e+02 1.701631510e+02 0.94 2.614902301e+02 2.062149024e+02 1.564017478e+02 0.96 2.469271983e+02 1.929618435e+02 1.440367706e+02 0.98 2.317116600e+02 1.775287692e+02 1.329264386e+02 1.00 2.158676790e+02 1.601162763e+02 1.229378768e+02 1.02 1.995758636e+02 1.415876187e+02 1.139485555e+02 1.04 1.831437147e+02 1.231801742e+02 1.058468713e+02 1.06 1.669445046e+02 1.060545153e+02 9.853213505e+01 1.08 1.513471800e+02 9.097492156e+01 9.191416981e+01 1.10 1.366594185e+02 7.824330361e+01 8.591267251e+01 1.12 1.230959912e+02 6.780873784e+01 8.045644774e+01 1.14 1.107726878e+02 5.942300764e+01 7.548258972e+01 1.16 9.971841026e+01 5.276460138e+01 7.093566246e+01 1.18 8.989609760e+01 4.751271088e+01 6.676691033e+01 1.20 8.122501868e+01 4.338159341e+01 6.293351751e+01 1.22 7.360007945e+01 4.013110744e+01 5.939792633e+01 1.24 6.690646872e+01 3.756550375e+01 5.612721798e+01 1.26 6.102965154e+01 3.552764238e+01 5.309255556e+01 1.28 5.586150740e+01 3.389224270e+01 5.026868667e+01 1.30 5.130361637e+01 3.255970037e+01 4.763350173e+01 1.32 4.726860599e+01 3.145095202e+01 4.516764330e+01 1.34 4.368027638e+01 3.050339839e+01 4.285416155e+01 1.36 4.047301755e+01 2.966772305e+01 4.067821122e+01 1.38 3.759086391e+01 2.890540862e+01 3.862678535e+01 1.40 3.498640447e+01 2.818677330e+01 3.668848179e+01 1.42 3.261967925e+01 2.748938847e+01 3.485329852e+01 1.44 3.045713438e+01 2.679677675e+01 3.311245445e+01 1.46 2.847067173e+01 2.609732115e+01 3.145823253e+01 1.48 2.663680634e+01 2.538333946e+01 2.988384253e+01 1.50 2.493593258e+01 2.465029429e+01 2.838330111e+01 1.52 2.335169264e+01 2.389611888e+01 2.695132692e+01 1.54 2.187043801e+01 2.312064485e+01 2.558324901e+01 1.56 2.048077315e+01 2.232512103e+01 2.427492693e+01 1.58 1.917317102e+01 2.151181371e+01 2.302268090e+01 1.60 1.793965026e+01 2.068367952e+01 2.182323104e+01 1.62 1.677350526e+01 1.984410212e+01 2.067364433e+01 1.64 1.566908101e+01 1.899668415e+01 1.957128853e+01 1.66 1.462158599e+01 1.814508658e+01 1.851379205e+01 1.68 1.362693695e+01 1.729290757e+01 1.749900912e+01 1.70 1.268163055e+01 1.644359417e+01 1.652498956e+01 1.72 1.178263757e+01 1.560038066e+01 1.558995255e+01 1.74 1.092731577e+01 1.476624809e+01 1.469226406e+01 1.76 1.011333862e+01 1.394390051e+01 1.383041717e+01 1.78 9.338636853e+00 1.313575407e+01 1.300301524e+01 1.80 8.601350979e+00 1.234393574e+01 1.220875735e+01 1.82 7.899792677e+00 1.157028921e+01 1.144642584e+01 1.84 7.232413585e+00 1.081638577e+01 1.071487552e+01 1.86 6.597780164e+00 1.008353873e+01 1.001302459e+01 1.88 5.994553552e+00 9.372819942e+00 9.339846733e+00 1.90 5.421473486e+00 8.685077643e+00 8.694364495e+00 1.92 4.877345556e+00 8.020954760e+00 8.075643594e+00 1.94 4.361031143e+00 7.380907256e+00 7.482788126e+00 1.96 3.871439545e+00 6.765222069e+00 6.914936503e+00 1.98 3.407521653e+00 6.174034418e+00 6.371258034e+00 2.00 2.968265419e+00 5.607344280e+00 5.850950055e+00 2.02 2.552693491e+00 5.065031933e+00 5.353235517e+00 2.04 2.159857523e+00 4.546872512e+00 4.877360981e+00 2.06 1.788838469e+00 4.052549539e+00 4.422594938e+00 2.08 1.438744397e+00 3.581667440e+00 3.988226423e+00 2.10 1.108709372e+00 3.133763060e+00 3.573563860e+00 2.12 7.978926229e-01 2.708316210e+00 3.177934109e+00 2.14 5.054779431e-01 2.304759296e+00 2.800681677e+00 2.16 2.306732449e-01 1.922486053e+00 2.441168069e+00 2.18 -2.728977980e-02 1.560859454e+00 2.098771245e+00 2.20 -2.691559280e-01 1.219218837e+00 1.772885169e+00 2.22 -4.956467158e-01 8.968862881e-01 1.462919438e+00 2.24 -7.074605918e-01 5.931723470e-01 1.168298957e+00 2.26 -9.052739285e-01 3.073810730e-01 8.884636650e-01 2.28 -1.089834304e+00 3.881451848e-02 6.228682976e-01 2.30 -1.262096728e+00 -2.132233420e-01 3.709821685e-01 2.32 -1.421916320e+00 -4.494231872e-01 1.322889726e-01 2.34 -1.570000887e+00 -6.704673856e-01 -9.371339959e-02 2.36 -1.707129503e+00 -8.770274556e-01 -3.075130404e-01 2.38 -1.833846066e+00 -1.069761911e+00 -5.095842014e-01 2.40 -1.950673739e+00 -1.249315321e+00 -7.003874684e-01 2.42 -2.058115352e+00 -1.416355308e+00 -8.803699397e-01 2.44 -2.156653843e+00 -1.571591621e+00 -1.049965408e+00 2.46 -2.246752704e+00 -1.715353517e+00 -1.209594546e+00 2.48 -2.328856455e+00 -1.848263816e+00 -1.359665104e+00 2.50 -2.403391132e+00 -1.970946474e+00 -1.500572104e+00 2.52 -2.470764785e+00 -2.083934152e+00 -1.632698052e+00 2.54 -2.531367990e+00 -2.187739362e+00 -1.756413147e+00 2.56 -2.585574360e+00 -2.282854442e+00 -1.872075505e+00 2.58 -2.633741074e+00 -2.369751642e+00 -1.980031382e+00 2.60 -2.676209392e+00 -2.448883325e+00 -2.080615409e+00 2.62 -2.713305188e+00 -2.520682242e+00 -2.174150830e+00 2.64 -2.745339463e+00 -2.585561900e+00 -2.260949742e+00 2.66 -2.772608870e+00 -2.643916975e+00 -2.341313341e+00 2.68 -2.795396224e+00 -2.696123785e+00 -2.415532177e+00 2.70 -2.813971012e+00 -2.742540803e+00 -2.483886400e+00 2.72 -2.828589889e+00 -2.783509197e+00 -2.546646019e+00 2.74 -2.839497171e+00 -2.819353401e+00 -2.604071158e+00 2.76 -2.846925314e+00 -2.850381698e+00 -2.656412314e+00 2.78 -2.851095386e+00 -2.876886814e+00 -2.703948454e+00 2.80 -2.852217525e+00 -2.899146517e+00 -2.747245549e+00 2.82 -2.850491391e+00 -2.917424222e+00 -2.786823022e+00 2.84 -2.846106593e+00 -2.931969584e+00 -2.821383982e+00 2.86 -2.839243122e+00 -2.943019095e+00 -2.851693827e+00 2.88 -2.830071755e+00 -2.950796661e+00 -2.878237148e+00 2.90 -2.818754458e+00 -2.955514178e+00 -2.901203989e+00 2.92 -2.805444769e+00 -2.957372084e+00 -2.920776802e+00 2.94 -2.790288169e+00 -2.956559904e+00 -2.937130690e+00 2.96 -2.773422446e+00 -2.953256776e+00 -2.950433642e+00 2.98 -2.754978040e+00 -2.947631960e+00 -2.960846765e+00 3.00 -2.735078378e+00 -2.939845327e+00 -2.968524510e+00 3.02 -2.713840194e+00 -2.930047835e+00 -2.973614900e+00 3.04 -2.691373846e+00 -2.918381981e+00 -2.976259747e+00 3.06 -2.667783607e+00 -2.904982239e+00 -2.976594867e+00 3.08 -2.643167956e+00 -2.889975473e+00 -2.974750289e+00 3.10 -2.617619852e+00 -2.873481344e+00 -2.970850460e+00 3.12 -2.591226999e+00 -2.855612683e+00 -2.965014447e+00 3.14 -2.564072098e+00 -2.836475859e+00 -2.957356130e+00 3.16 -2.536233091e+00 -2.816171126e+00 -2.947984392e+00 3.18 -2.507783394e+00 -2.794792950e+00 -2.937003306e+00 3.20 -2.478440243e+00 -2.772430324e+00 -2.924512311e+00 3.22 -2.439312936e+00 -2.749167063e+00 -2.910606390e+00 3.24 -2.356520344e+00 -2.725082093e+00 -2.895376237e+00 3.26 -2.207326827e+00 -2.700249710e+00 -2.878908423e+00 3.28 -2.157598849e+00 -2.674739841e+00 -2.861285556e+00 3.30 -2.124463102e+00 -2.648618284e+00 -2.842586433e+00 3.32 -2.091341914e+00 -2.621946933e+00 -2.822886194e+00 3.34 -2.058274814e+00 -2.594783993e+00 -2.802256463e+00 3.36 -2.025298212e+00 -2.567184191e+00 -2.780765487e+00 3.38 -1.992445587e+00 -2.539198907e+00 -2.758478279e+00 3.40 -1.959747663e+00 -2.510509454e+00 -2.735456739e+00 3.42 -1.927232580e+00 -2.477456594e+00 -2.711759789e+00 3.44 -1.894926054e+00 -2.431735925e+00 -2.687443489e+00 3.46 -1.862851529e+00 -2.375573412e+00 -2.662561160e+00 3.48 -1.831030323e+00 -2.343432537e+00 -2.637163493e+00 3.50 -1.799130709e+00 -2.312999526e+00 -2.611298662e+00 3.52 -1.749618612e+00 -2.282561583e+00 -2.585012427e+00 3.54 -1.608662539e+00 -2.252144932e+00 -2.558348238e+00 3.56 -1.265924724e+00 -2.221774003e+00 -2.531347332e+00 3.58 -9.013357424e-01 -2.191471541e+00 -2.504048828e+00 3.60 -8.827865681e-01 -2.161258701e+00 -2.476489819e+00 3.62 -8.645201094e-01 -2.131155143e+00 -2.448705453e+00 3.64 -8.465416500e-01 -2.101179119e+00 -2.420729028e+00 3.66 -8.288554744e-01 -2.071347554e+00 -2.392592062e+00 3.68 -8.114649458e-01 -2.041676129e+00 -2.364324379e+00 3.70 -7.943725792e-01 -2.012179345e+00 -2.335954179e+00 3.72 -7.775801115e-01 -1.982870600e+00 -2.307508110e+00 3.74 -7.610885664e-01 -1.953762250e+00 -2.279011340e+00 3.76 -7.448983170e-01 -1.924865671e+00 -2.250487620e+00 3.78 -7.290091428e-01 -1.896191313e+00 -2.221959348e+00 3.80 -7.134202850e-01 -1.867748761e+00 -2.193447634e+00 3.82 -6.981304965e-01 -1.839546781e+00 -2.164972352e+00 3.84 -6.831380900e-01 -1.811593366e+00 -2.136552201e+00 3.86 -6.684409818e-01 -1.783895788e+00 -2.108204758e+00 3.88 -6.540367330e-01 -1.756460636e+00 -2.079946528e+00 3.90 -6.399225880e-01 -1.729293855e+00 -2.051792995e+00 3.92 -6.247699178e-01 -1.699291631e+00 -2.020434847e+00 3.94 -5.916885122e-01 -1.626066350e+00 -1.942143364e+00 3.96 -4.957611356e-01 -1.394767756e+00 -1.686732622e+00 3.98 -2.749525286e-01 -8.121991935e-01 -1.008539565e+00 4.00 -2.014151030e-22 -4.592517006e-22 -4.672392179e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 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