# 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 = Bi3Cu # 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 5.954186499e+02 nan nan 0.80 5.620021595e+02 nan nan 0.82 5.303911146e+02 nan nan 0.84 5.004906131e+02 5.613305528e+02 nan 0.86 4.722106286e+02 5.318662831e+02 5.968656549e+02 0.88 4.454657645e+02 5.038961404e+02 5.668463080e+02 0.90 4.201750215e+02 4.773460294e+02 5.382776407e+02 0.92 3.962615750e+02 4.521454667e+02 5.110914983e+02 0.94 3.736525651e+02 4.282274068e+02 4.852228552e+02 0.96 3.522788953e+02 4.055280771e+02 4.606096742e+02 0.98 3.320750427e+02 3.839868201e+02 4.371927718e+02 1.00 3.129788767e+02 3.635459441e+02 4.149156901e+02 1.02 2.949314865e+02 3.441505795e+02 3.937245731e+02 1.04 2.778770181e+02 3.257485432e+02 3.735680498e+02 1.06 2.617625187e+02 3.082902091e+02 3.543971216e+02 1.08 2.465377889e+02 2.917283840e+02 3.361650552e+02 1.10 2.321552426e+02 2.760181905e+02 3.188272796e+02 1.12 2.185697735e+02 2.611169551e+02 3.023412882e+02 1.14 2.057386289e+02 2.469841009e+02 2.866665452e+02 1.16 1.936212891e+02 2.335810468e+02 2.717643960e+02 1.18 1.821793533e+02 2.208711105e+02 2.575979815e+02 1.20 1.713764313e+02 2.088194163e+02 2.441321566e+02 1.22 1.611780402e+02 1.973928077e+02 2.313334120e+02 1.24 1.515515072e+02 1.865597636e+02 2.191697993e+02 1.26 1.424658758e+02 1.762903193e+02 2.076108605e+02 1.28 1.338918187e+02 1.665559908e+02 1.966275590e+02 1.30 1.258015531e+02 1.573297025e+02 1.861922154e+02 1.32 1.181687620e+02 1.485857188e+02 1.762784450e+02 1.34 1.109685183e+02 1.402995792e+02 1.668610987e+02 1.36 1.041772131e+02 1.324480359e+02 1.579162063e+02 1.38 9.777248820e+01 1.250089947e+02 1.494209222e+02 1.40 9.173317092e+01 1.179614588e+02 1.413534745e+02 1.42 8.603921327e+01 1.112854756e+02 1.336931149e+02 1.44 8.067163354e+01 1.049620852e+02 1.264200722e+02 1.46 7.561246118e+01 9.897327229e+01 1.195155070e+02 1.48 7.084468435e+01 9.330191988e+01 1.129614691e+02 1.50 6.635220016e+01 8.793176541e+01 1.067408566e+02 1.52 6.211976748e+01 8.284735894e+01 1.008373762e+02 1.54 5.813296208e+01 7.803402335e+01 9.523550679e+01 1.56 5.437813414e+01 7.347781650e+01 8.992046306e+01 1.58 5.084236783e+01 6.916549519e+01 8.487816186e+01 1.60 4.751344301e+01 6.508448089e+01 8.009518963e+01 1.62 4.437979890e+01 6.122282708e+01 7.555877146e+01 1.64 4.143049951e+01 5.756918820e+01 7.125674142e+01 1.66 3.865520096e+01 5.411279010e+01 6.717751440e+01 1.68 3.604412035e+01 5.084340193e+01 6.331005910e+01 1.70 3.358800632e+01 4.775130936e+01 5.964387231e+01 1.72 3.127811104e+01 4.482728911e+01 5.616895437e+01 1.74 2.910616369e+01 4.206258472e+01 5.287578570e+01 1.76 2.706434527e+01 3.944888351e+01 4.975530445e+01 1.78 2.514526471e+01 3.697829458e+01 4.679888511e+01 1.80 2.334193620e+01 3.464332799e+01 4.399831817e+01 1.82 2.164775767e+01 3.243687486e+01 4.134579063e+01 1.84 2.005649047e+01 3.035218846e+01 3.883386747e+01 1.86 1.856223993e+01 2.838286626e+01 3.645547388e+01 1.88 1.715943709e+01 2.652283278e+01 3.420387842e+01 1.90 1.584282127e+01 2.476632333e+01 3.207267684e+01 1.92 1.460742358e+01 2.310786851e+01 3.005577667e+01 1.94 1.344855128e+01 2.154227949e+01 2.814738259e+01 1.96 1.236177294e+01 2.006463400e+01 2.634198235e+01 1.98 1.134290439e+01 1.867026295e+01 2.463433342e+01 2.00 1.038799538e+01 1.735473781e+01 2.301945022e+01 2.02 9.493316931e+00 1.611385852e+01 2.149259196e+01 2.04 8.655349401e+00 1.494364198e+01 2.004925102e+01 2.06 7.870771094e+00 1.384031122e+01 1.868514184e+01 2.08 7.136447517e+00 1.280028496e+01 1.739619039e+01 2.10 6.449421192e+00 1.182016774e+01 1.617852406e+01 2.12 5.806901989e+00 1.089674059e+01 1.502846205e+01 2.14 5.206257987e+00 1.002695205e+01 1.394250621e+01 2.16 4.645006799e+00 9.207909704e+00 1.291733227e+01 2.18 4.120807367e+00 8.436872141e+00 1.194978150e+01 2.20 3.631452185e+00 7.711241254e+00 1.103685277e+01 2.22 3.174859940e+00 7.028554958e+00 1.017569496e+01 2.24 2.749068534e+00 6.386480274e+00 9.363599711e+00 2.26 2.352228492e+00 5.782806727e+00 8.597994534e+00 2.28 1.982596703e+00 5.215440099e+00 7.876436250e+00 2.30 1.638530515e+00 4.682396471e+00 7.196604705e+00 2.32 1.318482130e+00 4.181796575e+00 6.556296808e+00 2.34 1.020993310e+00 3.711860422e+00 5.953420825e+00 2.36 7.446903621e-01 3.270902195e+00 5.385990962e+00 2.38 4.882793982e-01 2.857325404e+00 4.852122187e+00 2.40 2.505418450e-01 2.469618274e+00 4.350025301e+00 2.42 3.033020247e-02 2.106349374e+00 3.878002248e+00 2.44 -1.734359706e-01 1.766163456e+00 3.434441631e+00 2.46 -3.617738523e-01 1.447777509e+00 3.017814459e+00 2.48 -5.356409460e-01 1.149977010e+00 2.626670079e+00 2.50 -6.959384739e-01 8.716123617e-01 2.259632311e+00 2.52 -8.435145838e-01 6.115955120e-01 1.915395766e+00 2.54 -9.791673802e-01 3.688967448e-01 1.592722333e+00 2.56 -1.103647790e+00 1.425416310e-01 1.290437840e+00 2.58 -1.217662268e+00 -6.839186426e-02 1.007428877e+00 2.60 -1.321875356e+00 -2.647761273e-01 7.426397593e-01 2.62 -1.416912096e+00 -4.474365040e-01 4.950696494e-01 2.64 -1.503360317e+00 -6.171537718e-01 2.637698117e-01 2.66 -1.581772782e+00 -7.746664894e-01 4.784099736e-02 2.68 -1.652669232e+00 -9.206732221e-01 -1.535690387e-01 2.70 -1.716538299e+00 -1.055834658e+00 -3.412679073e-01 2.72 -1.773839324e+00 -1.180775610e+00 -5.160208340e-01 2.74 -1.825004070e+00 -1.296086921e+00 -6.785528031e-01 2.76 -1.870438331e+00 -1.402327268e+00 -8.295505946e-01 2.78 -1.910523463e+00 -1.500024869e+00 -9.696647234e-01 2.80 -1.945617819e+00 -1.589679112e+00 -1.099511283e+00 2.82 -1.976058103e+00 -1.671762091e+00 -1.219673700e+00 2.84 -2.002160655e+00 -1.746720065e+00 -1.330704399e+00 2.86 -2.024222655e+00 -1.814974841e+00 -1.433126394e+00 2.88 -2.042523256e+00 -1.876925088e+00 -1.527434790e+00 2.90 -2.057324664e+00 -1.932947577e+00 -1.614098219e+00 2.92 -2.068873144e+00 -1.983398362e+00 -1.693560203e+00 2.94 -2.077399974e+00 -2.028613896e+00 -1.766240449e+00 2.96 -2.083122343e+00 -2.068912088e+00 -1.832536077e+00 2.98 -2.086244196e+00 -2.104593308e+00 -1.892822792e+00 3.00 -2.086957032e+00 -2.135941335e+00 -1.947455993e+00 3.02 -2.085440650e+00 -2.163224258e+00 -1.996771833e+00 3.04 -2.081863864e+00 -2.186695328e+00 -2.041088214e+00 3.06 -2.076385158e+00 -2.206593766e+00 -2.080705746e+00 3.08 -2.069153321e+00 -2.223145528e+00 -2.115908649e+00 3.10 -2.060308029e+00 -2.236564029e+00 -2.146965612e+00 3.12 -2.049980406e+00 -2.247050828e+00 -2.174130607e+00 3.14 -2.038293542e+00 -2.254796277e+00 -2.197643668e+00 3.16 -2.025362983e+00 -2.259980137e+00 -2.217731618e+00 3.18 -2.011297194e+00 -2.262772160e+00 -2.234608775e+00 3.20 -1.996421155e+00 -2.263332637e+00 -2.248477608e+00 3.22 -1.984295849e+00 -2.261812921e+00 -2.259529369e+00 3.24 -1.956542070e+00 -2.258355920e+00 -2.267944686e+00 3.26 -1.824501401e+00 -2.253096563e+00 -2.273894131e+00 3.28 -1.790802409e+00 -2.246162240e+00 -2.277538755e+00 3.30 -1.776983129e+00 -2.237673222e+00 -2.279030598e+00 3.32 -1.762819508e+00 -2.227743055e+00 -2.278513169e+00 3.34 -1.748356261e+00 -2.216478931e+00 -2.276121909e+00 3.36 -1.733635080e+00 -2.203982045e+00 -2.271984618e+00 3.38 -1.718694783e+00 -2.190347976e+00 -2.266221871e+00 3.40 -1.703571449e+00 -2.175939279e+00 -2.258947407e+00 3.42 -1.688298542e+00 -2.161892043e+00 -2.250268497e+00 3.44 -1.672907026e+00 -2.138654394e+00 -2.240286297e+00 3.46 -1.657425469e+00 -2.081920877e+00 -2.229096178e+00 3.48 -1.641880139e+00 -2.055868155e+00 -2.216788040e+00 3.50 -1.626115085e+00 -2.032842077e+00 -2.203446612e+00 3.52 -1.600746058e+00 -2.009543561e+00 -2.189151732e+00 3.54 -1.517478502e+00 -1.986019588e+00 -2.173978616e+00 3.56 -1.255184780e+00 -1.962314350e+00 -2.157998109e+00 3.58 -9.169333559e-01 -1.938469404e+00 -2.141276929e+00 3.60 -9.048773819e-01 -1.914523807e+00 -2.123877888e+00 3.62 -8.927032459e-01 -1.890514250e+00 -2.105860112e+00 3.64 -8.804281105e-01 -1.866475182e+00 -2.087279242e+00 3.66 -8.680682946e-01 -1.842438925e+00 -2.068187626e+00 3.68 -8.556393056e-01 -1.818435784e+00 -2.048634503e+00 3.70 -8.431558692e-01 -1.794494146e+00 -2.028666174e+00 3.72 -8.306319589e-01 -1.770640580e+00 -2.008326165e+00 3.74 -8.180808245e-01 -1.746899920e+00 -1.987655382e+00 3.76 -8.055150194e-01 -1.723295348e+00 -1.966692259e+00 3.78 -7.929464272e-01 -1.699848473e+00 -1.945472889e+00 3.80 -7.803862873e-01 -1.676579398e+00 -1.924031164e+00 3.82 -7.678452196e-01 -1.653506783e+00 -1.902398892e+00 3.84 -7.553332489e-01 -1.630647905e+00 -1.880605915e+00 3.86 -7.428598273e-01 -1.608018712e+00 -1.858680220e+00 3.88 -7.304338574e-01 -1.585633871e+00 -1.836648043e+00 3.90 -7.180637136e-01 -1.563506805e+00 -1.814533970e+00 3.92 -7.045778293e-01 -1.539602383e+00 -1.790744983e+00 3.94 -6.746329191e-01 -1.486865684e+00 -1.742671999e+00 3.96 -5.833562614e-01 -1.318339043e+00 -1.582788541e+00 3.98 -3.474100883e-01 -8.287321899e-01 -1.042643381e+00 4.00 -2.796940398e-22 -5.415475111e-22 -5.749990847e-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 0.000000000e+00 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