# 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-Sn # implementation = 2026--Park-J-H--Fe-Cu-Sn--LAMMPS--ipr1 # composition = FeSn3 # 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 6.607506823e+02 nan nan 0.80 6.171690774e+02 nan nan 0.82 5.762924449e+02 nan nan 0.84 5.380238431e+02 8.550999000e+02 nan 0.86 5.023043697e+02 8.057489650e+02 1.246203541e+03 0.88 4.691033803e+02 7.591184191e+02 1.169928504e+03 0.90 4.384014442e+02 7.150592828e+02 1.098157059e+03 0.92 4.101693483e+02 6.734405817e+02 1.030691930e+03 0.94 3.843481156e+02 6.341527961e+02 9.673284240e+02 0.96 3.608350493e+02 5.971095176e+02 9.078579607e+02 0.98 3.394791532e+02 5.622460382e+02 8.520712535e+02 1.00 3.200865368e+02 5.295142081e+02 7.997610342e+02 1.02 3.024336889e+02 4.988738573e+02 7.507242990e+02 1.04 2.862847885e+02 4.702821286e+02 7.047640777e+02 1.06 2.714089555e+02 4.436828591e+02 6.616907629e+02 1.08 2.575942867e+02 4.189983491e+02 6.213230464e+02 1.10 2.446570553e+02 3.961253603e+02 5.834885202e+02 1.12 2.324459068e+02 3.749361056e+02 5.480239989e+02 1.14 2.208418864e+02 3.552837304e+02 5.147756187e+02 1.16 2.097555770e+02 3.370107674e+02 4.835987604e+02 1.18 1.991226365e+02 3.199585912e+02 4.543578417e+02 1.20 1.888987792e+02 3.039760547e+02 4.269260116e+02 1.22 1.790549197e+02 2.889260609e+02 4.011847798e+02 1.24 1.695728914e+02 2.746895505e+02 3.770236025e+02 1.26 1.604419162e+02 2.611670029e+02 3.543394447e+02 1.28 1.516558464e+02 2.482779411e+02 3.330363334e+02 1.30 1.432111099e+02 2.359590897e+02 3.130249116e+02 1.32 1.351052477e+02 2.241618057e+02 2.942220025e+02 1.34 1.273359277e+02 2.128492799e+02 2.765501879e+02 1.36 1.199003201e+02 2.019938508e+02 2.599374064e+02 1.38 1.127947408e+02 1.915746279e+02 2.443165715e+02 1.40 1.060144852e+02 1.815755129e+02 2.296252127e+02 1.42 9.955379098e+01 1.719836294e+02 2.158051395e+02 1.44 9.340588564e+01 1.627881283e+02 2.028021273e+02 1.46 8.756308500e+01 1.539793162e+02 1.905656263e+02 1.48 8.201691952e+01 1.455480449e+02 1.790484903e+02 1.50 7.675827191e+01 1.374853063e+02 1.682067269e+02 1.52 7.177751542e+01 1.297819811e+02 1.579992659e+02 1.54 6.706464591e+01 1.224287002e+02 1.483877454e+02 1.56 6.260940360e+01 1.154157850e+02 1.393363149e+02 1.58 5.840138238e+01 1.087332419e+02 1.308114538e+02 1.60 5.443012592e+01 1.023707917e+02 1.227818034e+02 1.62 5.068521058e+01 9.631791908e+01 1.152180127e+02 1.64 4.715631576e+01 9.056393375e+01 1.080925962e+02 1.66 4.383328254e+01 8.509803509e+01 1.013798025e+02 1.68 4.070616177e+01 7.990937656e+01 9.505549319e+01 1.70 3.776525265e+01 7.498712653e+01 8.909703162e+01 1.72 3.500113300e+01 7.032052403e+01 8.348317940e+01 1.74 3.240468223e+01 6.589892836e+01 7.819400147e+01 1.76 2.996709805e+01 6.171186231e+01 7.321077809e+01 1.78 2.767990785e+01 5.774904898e+01 6.851592354e+01 1.80 2.553497542e+01 5.400044262e+01 6.409291091e+01 1.82 2.352450401e+01 5.045625361e+01 5.992620244e+01 1.84 2.164103606e+01 4.710696849e+01 5.600118501e+01 1.86 1.987745041e+01 4.394336519e+01 5.230411029e+01 1.88 1.822695737e+01 4.095652421e+01 4.882203931e+01 1.90 1.668309201e+01 3.813783621e+01 4.554279086e+01 1.92 1.523970618e+01 3.547900644e+01 4.245489371e+01 1.94 1.389095944e+01 3.297205654e+01 3.954754206e+01 1.96 1.263130925e+01 3.060932395e+01 3.681055413e+01 1.98 1.145550051e+01 2.838345955e+01 3.423433370e+01 2.00 1.035855486e+01 2.628742353e+01 3.180983410e+01 2.02 9.335759634e+00 2.431448005e+01 2.952852484e+01 2.04 8.382656801e+00 2.245819075e+01 2.738236033e+01 2.06 7.495031879e+00 2.071240746e+01 2.536375077e+01 2.08 6.668902964e+00 1.907126420e+01 2.346553489e+01 2.10 5.900509931e+00 1.752916866e+01 2.168095460e+01 2.12 5.186303852e+00 1.608079333e+01 2.000363110e+01 2.14 4.522936680e+00 1.472106640e+01 1.842754271e+01 2.16 3.907251246e+00 1.344516245e+01 1.694700398e+01 2.18 3.336271565e+00 1.224849313e+01 1.555664621e+01 2.20 2.807193497e+00 1.112669782e+01 1.425139915e+01 2.22 2.317375754e+00 1.007563437e+01 1.302647383e+01 2.24 1.864331274e+00 9.091369938e+00 1.187734648e+01 2.26 1.445718947e+00 8.170172013e+00 1.079974346e+01 2.28 1.059335522e+00 7.308499620e+00 9.789627033e+00 2.30 7.031077830e-01 6.502994724e+00 8.843182059e+00 2.32 3.750880334e-01 5.750473894e+00 7.956803483e+00 2.34 7.344321226e-02 5.047920207e+00 7.127084548e+00 2.36 -2.035499848e-01 4.392475415e+00 6.350805725e+00 2.38 -4.575106836e-01 3.781432394e+00 5.624924291e+00 2.40 -6.899601505e-01 3.212227845e+00 4.946564514e+00 2.42 -9.023273688e-01 2.682435303e+00 4.313008417e+00 2.44 -1.095954325e+00 2.189758388e+00 3.721687073e+00 2.46 -1.272101016e+00 1.732024363e+00 3.170172404e+00 2.48 -1.431950189e+00 1.307177936e+00 2.656169444e+00 2.50 -1.576611821e+00 9.132753412e-01 2.177509059e+00 2.52 -1.707127366e+00 5.484786813e-01 1.732141057e+00 2.54 -1.824473758e+00 2.110505157e-01 1.318127712e+00 2.56 -1.929567195e+00 -1.006512998e-01 9.336376345e-01 2.58 -2.023266720e+00 -3.881785355e-01 5.769399936e-01 2.60 -2.106377591e+00 -6.529972792e-01 2.463990612e-01 2.62 -2.179654472e+00 -8.964924059e-01 -5.953094356e-02 2.64 -2.243804431e+00 -1.119971830e+00 -3.423107201e-01 2.66 -2.299489784e+00 -1.324670555e+00 -6.033204885e-01 2.68 -2.347330760e+00 -1.511754519e+00 -8.438643327e-01 2.70 -2.387908027e+00 -1.682324258e+00 -1.065174312e+00 2.72 -2.421765063e+00 -1.837418378e+00 -1.268414340e+00 2.74 -2.449410397e+00 -1.978016858e+00 -1.454683861e+00 2.76 -2.471319718e+00 -2.105044187e+00 -1.625021318e+00 2.78 -2.487937859e+00 -2.219372340e+00 -1.780408921e+00 2.80 -2.499680670e+00 -2.321823601e+00 -1.921785714e+00 2.82 -2.506936781e+00 -2.413173239e+00 -2.050037155e+00 2.84 -2.510069258e+00 -2.494152056e+00 -2.165930402e+00 2.86 -2.509417168e+00 -2.565448793e+00 -2.270266797e+00 2.88 -2.505297045e+00 -2.627712411e+00 -2.363792902e+00 2.90 -2.498004278e+00 -2.681554263e+00 -2.447202809e+00 2.92 -2.487814410e+00 -2.727550141e+00 -2.521151429e+00 2.94 -2.474984363e+00 -2.766242220e+00 -2.586256591e+00 2.96 -2.459753592e+00 -2.798140905e+00 -2.643101051e+00 2.98 -2.442345170e+00 -2.823726569e+00 -2.692234376e+00 3.00 -2.422966802e+00 -2.843451210e+00 -2.734174736e+00 3.02 -2.401811793e+00 -2.857740014e+00 -2.769410604e+00 3.04 -2.379059942e+00 -2.866992837e+00 -2.798402355e+00 3.06 -2.354878394e+00 -2.871585607e+00 -2.821583790e+00 3.08 -2.329422435e+00 -2.871871652e+00 -2.839363576e+00 3.10 -2.302836246e+00 -2.868182960e+00 -2.852126607e+00 3.12 -2.275253599e+00 -2.860831361e+00 -2.860235293e+00 3.14 -2.246798529e+00 -2.850109660e+00 -2.864030789e+00 3.16 -2.217585948e+00 -2.836292700e+00 -2.863834146e+00 3.18 -2.187722236e+00 -2.819638369e+00 -2.859947409e+00 3.20 -2.156859260e+00 -2.800388553e+00 -2.852654658e+00 3.22 -2.114875269e+00 -2.778770038e+00 -2.842222988e+00 3.24 -2.033618984e+00 -2.754995368e+00 -2.828903442e+00 3.26 -1.917337886e+00 -2.729263644e+00 -2.812931890e+00 3.28 -1.879294557e+00 -2.701761294e+00 -2.794529868e+00 3.30 -1.851866513e+00 -2.672662791e+00 -2.773905365e+00 3.32 -1.824244225e+00 -2.642131339e+00 -2.751253575e+00 3.34 -1.796478104e+00 -2.610319514e+00 -2.726757603e+00 3.36 -1.768614652e+00 -2.577369879e+00 -2.700589138e+00 3.38 -1.740696714e+00 -2.543415784e+00 -2.672909088e+00 3.40 -1.712763718e+00 -2.510007715e+00 -2.643868184e+00 3.42 -1.684851905e+00 -2.489764962e+00 -2.613607545e+00 3.44 -1.656994539e+00 -2.501071859e+00 -2.582259224e+00 3.46 -1.629222104e+00 -2.519443203e+00 -2.549946713e+00 3.48 -1.601562493e+00 -2.480724373e+00 -2.516785428e+00 3.50 -1.574103351e+00 -2.438553267e+00 -2.482883168e+00 3.52 -1.549628775e+00 -2.396288605e+00 -2.448340549e+00 3.54 -1.529813048e+00 -2.353994760e+00 -2.413251411e+00 3.56 -1.436554342e+00 -2.311731245e+00 -2.377703204e+00 3.58 -1.166464346e+00 -2.269553002e+00 -2.341777364e+00 3.60 -1.149376694e+00 -2.227510676e+00 -2.305549649e+00 3.62 -1.132269665e+00 -2.185650871e+00 -2.269090477e+00 3.64 -1.115159292e+00 -2.144016398e+00 -2.232465231e+00 3.66 -1.098060659e+00 -2.102646500e+00 -2.195734556e+00 3.68 -1.080987942e+00 -2.061577075e+00 -2.158954634e+00 3.70 -1.063954460e+00 -2.020840877e+00 -2.122177453e+00 3.72 -1.046972712e+00 -1.980467715e+00 -2.085451048e+00 3.74 -1.030054418e+00 -1.940484636e+00 -2.048819743e+00 3.76 -1.013210559e+00 -1.900916094e+00 -2.012324370e+00 3.78 -9.964514125e-01 -1.861784122e+00 -1.976002478e+00 3.80 -9.797865842e-01 -1.823108478e+00 -1.939888536e+00 3.82 -9.632250443e-01 -1.784906796e+00 -1.904014115e+00 3.84 -9.467751567e-01 -1.747194724e+00 -1.868408073e+00 3.86 -9.304447090e-01 -1.709986051e+00 -1.833096713e+00 3.88 -9.142409409e-01 -1.673292833e+00 -1.798103952e+00 3.90 -8.981705706e-01 -1.637125506e+00 -1.763451460e+00 3.92 -8.806374766e-01 -1.599073429e+00 -1.727333628e+00 3.94 -8.409005098e-01 -1.527580704e+00 -1.664945041e+00 3.96 -7.201675756e-01 -1.327414719e+00 -1.488224659e+00 3.98 -4.192916434e-01 -8.044057119e-01 -9.559928435e-01 4.00 -2.816012318e-22 -5.836241581e-22 -5.772669877e-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 0.000000000e+00 0.000000000e+00 4.16 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