# 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-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = BiFe3 # 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 4.948472488e+02 nan nan 0.80 4.663021417e+02 nan nan 0.82 4.387720791e+02 nan nan 0.84 4.121640895e+02 4.550257597e+02 nan 0.86 3.864269103e+02 4.313983591e+02 4.727453603e+02 0.88 3.615510822e+02 4.089544611e+02 4.420361247e+02 0.90 3.375628059e+02 3.876361758e+02 4.130659509e+02 0.92 3.145130762e+02 3.673881671e+02 3.858180833e+02 0.94 2.924646065e+02 3.481571913e+02 3.602556026e+02 0.96 2.714792063e+02 3.298913007e+02 3.363247938e+02 0.98 2.516076761e+02 3.125385703e+02 3.139589711e+02 1.00 2.328832879e+02 2.960453121e+02 2.930822878e+02 1.02 2.153189362e+02 2.803539690e+02 2.736132112e+02 1.04 1.989073406e+02 2.654011862e+02 2.554674900e+02 1.06 1.836233546e+02 2.511168172e+02 2.385605488e+02 1.08 1.694274203e+02 2.374246959e+02 2.228093195e+02 1.10 1.562693823e+02 2.242457826e+02 2.081335675e+02 1.12 1.440921198e+02 2.115037525e+02 1.944567884e+02 1.14 1.328346898e+02 1.991323303e+02 1.817067580e+02 1.16 1.224348555e+02 1.870829092e+02 1.698158141e+02 1.18 1.128309945e+02 1.753305298e+02 1.587209384e+02 1.20 1.039634513e+02 1.638764207e+02 1.483636953e+02 1.22 9.577542865e+01 1.527461125e+02 1.386900730e+02 1.24 8.821351511e+01 1.419833889e+02 1.296502630e+02 1.26 8.122794268e+01 1.316415422e+02 1.211984023e+02 1.28 7.477264959e+01 1.217740429e+02 1.132923001e+02 1.30 6.880521103e+01 1.124266077e+02 1.058931596e+02 1.32 6.328668447e+01 1.036319229e+02 9.896530724e+01 1.34 5.818140435e+01 9.540734965e+01 9.247593168e+01 1.36 5.345675101e+01 8.775518830e+01 8.639483949e+01 1.38 4.908291076e+01 8.066468433e+01 8.069422695e+01 1.40 4.503263850e+01 7.411491127e+01 7.534846988e+01 1.42 4.128103007e+01 6.807783280e+01 7.033393100e+01 1.44 3.780530834e+01 6.252109171e+01 6.562878415e+01 1.46 3.458462527e+01 5.741029966e+01 6.121285463e+01 1.48 3.159988067e+01 5.271076817e+01 5.706747435e+01 1.50 2.883355744e+01 4.838872066e+01 5.317535075e+01 1.52 2.626957264e+01 4.441207220e+01 4.952044819e+01 1.54 2.389314333e+01 4.075087589e+01 4.608788085e+01 1.56 2.169066603e+01 3.737752742e+01 4.286381575e+01 1.58 1.964960854e+01 3.426680393e+01 3.983538526e+01 1.60 1.775841298e+01 3.139579618e+01 3.699060774e+01 1.62 1.600640873e+01 2.874377708e+01 3.431831591e+01 1.64 1.438373447e+01 2.629203687e+01 3.180809174e+01 1.66 1.288126802e+01 2.402370502e+01 2.945020759e+01 1.68 1.149056345e+01 2.192357213e+01 2.723557262e+01 1.70 1.020379427e+01 1.997791919e+01 2.515568414e+01 1.72 9.013702399e+00 1.817435899e+01 2.320258332e+01 1.74 7.913551925e+00 1.650169119e+01 2.136881485e+01 1.76 6.897087395e+00 1.494977198e+01 1.964739010e+01 1.78 5.958495946e+00 1.350939763e+01 1.803175351e+01 1.80 5.092372952e+00 1.217220129e+01 1.651575176e+01 1.82 4.293690774e+00 1.093056183e+01 1.509360568e+01 1.84 3.557770288e+00 9.777523467e+00 1.375988431e+01 1.86 2.880254900e+00 8.706725080e+00 1.250948126e+01 1.88 2.257086786e+00 7.712338065e+00 1.133759282e+01 1.90 1.684485137e+00 6.789011617e+00 1.023969792e+01 1.92 1.158926200e+00 5.931824585e+00 9.211539622e+00 1.94 6.771249511e-01 5.136243028e+00 8.249108023e+00 1.96 2.360182279e-01 4.398082756e+00 7.348624484e+00 1.98 -1.672508016e-01 3.713476210e+00 6.506527046e+00 2.00 -5.353469695e-01 3.078843118e+00 5.719456897e+00 2.02 -8.707563380e-01 2.490864466e+00 4.984245863e+00 2.04 -1.175798435e+00 1.946459328e+00 4.297904760e+00 2.06 -1.452637575e+00 1.442760679e+00 3.657612603e+00 2.08 -1.703293352e+00 9.770839561e-01 3.060706546e+00 2.10 -1.929650365e+00 5.469893191e-01 2.504672528e+00 2.12 -2.133467248e+00 1.501558437e-01 1.987136548e+00 2.14 -2.316385062e+00 -2.155881861e-01 1.505856522e+00 2.16 -2.479935085e+00 -5.522602024e-01 1.058714686e+00 2.18 -2.625574776e+00 -8.617460900e-01 6.437104841e-01 2.20 -2.755106512e+00 -1.145809997e+00 2.589539200e-01 2.22 -2.869652043e+00 -1.406103247e+00 -9.734067431e-02 2.24 -2.968952504e+00 -1.644172429e+00 -4.268604731e-01 2.26 -3.055140866e+00 -1.861466788e+00 -7.312000672e-01 2.28 -3.129225268e+00 -2.059344960e+00 -1.011915813e+00 2.30 -3.192145593e+00 -2.239081142e+00 -1.270591416e+00 2.32 -3.244777909e+00 -2.401870753e+00 -1.508176922e+00 2.34 -3.287938618e+00 -2.548835632e+00 -1.726018996e+00 2.36 -3.322388330e+00 -2.681028826e+00 -1.925427307e+00 2.38 -3.348835491e+00 -2.799439008e+00 -2.107535739e+00 2.40 -3.367939764e+00 -2.904994554e+00 -2.273415372e+00 2.42 -3.380315201e+00 -2.998567326e+00 -2.424077847e+00 2.44 -3.386533207e+00 -3.080976174e+00 -2.560478558e+00 2.46 -3.387125310e+00 -3.152990191e+00 -2.683519657e+00 2.48 -3.382585757e+00 -3.215331737e+00 -2.794052897e+00 2.50 -3.373373944e+00 -3.268679263e+00 -2.892882316e+00 2.52 -3.359916688e+00 -3.313669935e+00 -2.980766780e+00 2.54 -3.342610353e+00 -3.350902098e+00 -3.058422382e+00 2.56 -3.321822850e+00 -3.380937565e+00 -3.126524721e+00 2.58 -3.297895495e+00 -3.404303770e+00 -3.185711049e+00 2.60 -3.271144762e+00 -3.421495784e+00 -3.236582312e+00 2.62 -3.241863917e+00 -3.432978201e+00 -3.279705081e+00 2.64 -3.210324555e+00 -3.439186915e+00 -3.315613377e+00 2.66 -3.176778029e+00 -3.440530782e+00 -3.344810410e+00 2.68 -3.141456802e+00 -3.437393190e+00 -3.367770216e+00 2.70 -3.104575701e+00 -3.430133532e+00 -3.384939216e+00 2.72 -3.066333102e+00 -3.419088590e+00 -3.396737694e+00 2.74 -3.026912029e+00 -3.404573849e+00 -3.403561193e+00 2.76 -2.986481194e+00 -3.386884720e+00 -3.405781847e+00 2.78 -2.945195964e+00 -3.366297707e+00 -3.403759896e+00 2.80 -2.903199267e+00 -3.343071498e+00 -3.397917137e+00 2.82 -2.860622445e+00 -3.317448000e+00 -3.388651734e+00 2.84 -2.817586047e+00 -3.289653311e+00 -3.375831289e+00 2.86 -2.774200574e+00 -3.259898643e+00 -3.359878765e+00 2.88 -2.730567179e+00 -3.228381190e+00 -3.341130792e+00 2.90 -2.686778315e+00 -3.195284945e+00 -3.319827438e+00 2.92 -2.642918349e+00 -3.160781478e+00 -3.296193803e+00 2.94 -2.599064133e+00 -3.125030666e+00 -3.270440834e+00 2.96 -2.555285536e+00 -3.088181383e+00 -3.242766114e+00 2.98 -2.511645947e+00 -3.050372154e+00 -3.213354600e+00 3.00 -2.468202740e+00 -3.011731772e+00 -3.182379328e+00 3.02 -2.425007711e+00 -2.972379878e+00 -3.150002083e+00 3.04 -2.382107489e+00 -2.932427512e+00 -3.116374026e+00 3.06 -2.339543914e+00 -2.891977633e+00 -3.081636300e+00 3.08 -2.297354398e+00 -2.851125611e+00 -3.045920595e+00 3.10 -2.255572253e+00 -2.809959685e+00 -3.009349688e+00 3.12 -2.214227005e+00 -2.768561407e+00 -2.972037956e+00 3.14 -2.173344685e+00 -2.727006050e+00 -2.934091858e+00 3.16 -2.132948095e+00 -2.685363001e+00 -2.895610394e+00 3.18 -2.093057068e+00 -2.643696128e+00 -2.856685540e+00 3.20 -2.053508715e+00 -2.602064126e+00 -2.817402662e+00 3.22 -2.010288246e+00 -2.560520847e+00 -2.777840901e+00 3.24 -1.952380277e+00 -2.519115605e+00 -2.738073548e+00 3.26 -1.880322163e+00 -2.477893474e+00 -2.698168387e+00 3.28 -1.841437210e+00 -2.436895555e+00 -2.658188032e+00 3.30 -1.807751652e+00 -2.396159242e+00 -2.618190236e+00 3.32 -1.774552581e+00 -2.355718462e+00 -2.578228188e+00 3.34 -1.741843884e+00 -2.315603905e+00 -2.538350793e+00 3.36 -1.709628308e+00 -2.275843243e+00 -2.498602939e+00 3.38 -1.677907557e+00 -2.236461090e+00 -2.459025743e+00 3.40 -1.646682389e+00 -2.195897561e+00 -2.419656791e+00 3.42 -1.615952697e+00 -2.138939298e+00 -2.380530360e+00 3.44 -1.585717595e+00 -2.031101574e+00 -2.341677629e+00 3.46 -1.555975485e+00 -1.875581230e+00 -2.303126882e+00 3.48 -1.526724134e+00 -1.832146706e+00 -2.264903688e+00 3.50 -1.497523502e+00 -1.797619521e+00 -2.227031090e+00 3.52 -1.446467524e+00 -1.763602810e+00 -2.189529761e+00 3.54 -1.278297857e+00 -1.730101939e+00 -2.152418170e+00 3.56 -8.260986005e-01 -1.697121049e+00 -2.115712731e+00 3.58 -3.456097504e-01 -1.664663152e+00 -2.079427937e+00 3.60 -3.356095857e-01 -1.632730216e+00 -2.043576498e+00 3.62 -3.258716604e-01 -1.601323249e+00 -2.008169466e+00 3.64 -3.163903359e-01 -1.570442372e+00 -1.973216349e+00 3.66 -3.071600351e-01 -1.540086898e+00 -1.938725224e+00 3.68 -2.981752452e-01 -1.510255391e+00 -1.904702838e+00 3.70 -2.894305208e-01 -1.480945738e+00 -1.871154711e+00 3.72 -2.809204855e-01 -1.452155200e+00 -1.838085224e+00 3.74 -2.726398344e-01 -1.423880475e+00 -1.805497704e+00 3.76 -2.645833356e-01 -1.396117747e+00 -1.773394510e+00 3.78 -2.567458319e-01 -1.368862735e+00 -1.741777104e+00 3.80 -2.491222419e-01 -1.342110737e+00 -1.710646127e+00 3.82 -2.417075615e-01 -1.315856675e+00 -1.680001463e+00 3.84 -2.344968645e-01 -1.290095135e+00 -1.649842301e+00 3.86 -2.274853038e-01 -1.264820401e+00 -1.620167199e+00 3.88 -2.206681116e-01 -1.240026494e+00 -1.590974131e+00 3.90 -2.140406002e-01 -1.215707198e+00 -1.562260548e+00 3.92 -2.070772716e-01 -1.189570196e+00 -1.531347166e+00 3.94 -1.932951194e-01 -1.132302311e+00 -1.463584248e+00 3.96 -1.567552403e-01 -9.630161798e-01 -1.259518659e+00 3.98 -8.094638147e-02 -5.532500892e-01 -7.425704115e-01 4.00 -6.216748551e-23 -3.813552326e-22 -4.048574564e-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 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