# 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-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = As3Fe # 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 6.913194893e+02 nan nan 0.80 6.434370989e+02 nan nan 0.82 5.986427155e+02 nan nan 0.84 5.567476938e+02 7.662989304e+02 nan 0.86 5.175744148e+02 7.190947505e+02 1.011321371e+03 0.88 4.809556590e+02 6.746019893e+02 9.559212798e+02 0.90 4.467339856e+02 6.326734880e+02 9.034606968e+02 0.92 4.147610388e+02 5.931696884e+02 8.537889020e+02 0.94 3.848965946e+02 5.559582566e+02 8.067623464e+02 0.96 3.570070859e+02 5.209137265e+02 7.622440850e+02 0.98 3.309635471e+02 4.879171580e+02 7.201031118e+02 1.00 3.066396300e+02 4.568558137e+02 6.802135811e+02 1.02 2.839113327e+02 4.276228475e+02 6.424539286e+02 1.04 2.626604590e+02 4.001170030e+02 6.067059423e+02 1.06 2.427826249e+02 3.742423005e+02 5.728538817e+02 1.08 2.241979087e+02 3.499076598e+02 5.407837772e+02 1.10 2.068594262e+02 3.270263674e+02 5.103830644e+02 1.12 1.907542169e+02 3.055152872e+02 4.815406980e+02 1.14 1.758930727e+02 2.852938468e+02 4.541478470e+02 1.16 1.622907431e+02 2.662831421e+02 4.280991970e+02 1.18 1.499429345e+02 2.484058832e+02 4.032947864e+02 1.20 1.388086864e+02 2.315880196e+02 3.796421919e+02 1.22 1.288044902e+02 2.157624288e+02 3.570587806e+02 1.24 1.198111768e+02 2.008740025e+02 3.354736846e+02 1.26 1.116894179e+02 1.868842800e+02 3.148291463e+02 1.28 1.042974028e+02 1.737731493e+02 2.950809526e+02 1.30 9.750530499e+01 1.615356454e+02 2.761978058e+02 1.32 9.120394626e+01 1.501736028e+02 2.581596559e+02 1.34 8.530771777e+01 1.396842129e+02 2.409551955e+02 1.36 7.975331317e+01 1.300492360e+02 2.245788512e+02 1.38 7.449616533e+01 1.212286413e+02 2.090276684e+02 1.40 6.950612365e+01 1.131606456e+02 1.942984636e+02 1.42 6.476334118e+01 1.057674926e+02 1.803855294e+02 1.44 6.025483966e+01 9.896433838e+01 1.672790487e+02 1.46 5.597188104e+01 9.266814344e+01 1.549642472e+02 1.48 5.190808894e+01 8.680435115e+01 1.434212095e+02 1.50 4.805818562e+01 8.131051431e+01 1.326252167e+02 1.52 4.441719598e+01 7.613716445e+01 1.225474399e+02 1.54 4.097998590e+01 7.124677839e+01 1.131558320e+02 1.56 3.774102833e+01 6.661175908e+01 1.044160810e+02 1.58 3.469431750e+01 6.221214164e+01 9.629253207e+01 1.60 3.183337411e+01 5.803345955e+01 8.874901018e+01 1.62 2.915130272e+01 5.406497536e+01 8.174951455e+01 1.64 2.664087500e+01 5.029832523e+01 7.525877188e+01 1.66 2.429462264e+01 4.672654394e+01 6.924265469e+01 1.68 2.210492955e+01 4.334340184e+01 6.366847810e+01 1.70 2.006411765e+01 4.014297978e+01 5.850519370e+01 1.72 1.816452322e+01 3.711941579e+01 5.372349965e+01 1.74 1.639856262e+01 3.426677025e+01 4.929588534e+01 1.76 1.475878725e+01 3.157896921e+01 4.519662675e+01 1.78 1.323792833e+01 2.904979688e+01 4.140174616e+01 1.80 1.182893241e+01 2.667291705e+01 3.788894734e+01 1.82 1.052498841e+01 2.444190986e+01 3.463753472e+01 1.84 9.319547614e+00 2.235031513e+01 3.162832346e+01 1.86 8.206337382e+00 2.039167660e+01 2.884354506e+01 1.88 7.179369606e+00 1.855958392e+01 2.626675232e+01 1.90 6.232944813e+00 1.684771055e+01 2.388272600e+01 1.92 5.361652648e+00 1.524984666e+01 2.167738489e+01 1.94 4.560369435e+00 1.375992689e+01 1.963770038e+01 1.96 3.824253237e+00 1.237205305e+01 1.775161598e+01 1.98 3.148728597e+00 1.108051211e+01 1.600797232e+01 2.00 2.529486702e+00 9.879789922e+00 1.439643734e+01 2.02 1.962533461e+00 8.764581166e+00 1.290744186e+01 2.04 1.444046621e+00 7.729795974e+00 1.153212010e+01 2.06 9.704705893e-01 6.770563728e+00 1.026225501e+01 2.08 5.384767316e-01 5.882234345e+00 9.090228034e+00 2.10 1.449471907e-01 5.060378249e+00 8.008972984e+00 2.12 -2.131388551e-01 4.300783208e+00 7.011933753e+00 2.14 -5.384796182e-01 3.599451037e+00 6.093025513e+00 2.16 -8.332566135e-01 2.952592937e+00 5.246599131e+00 2.18 -1.100069182e+00 2.356623774e+00 4.467408498e+00 2.20 -1.341090733e+00 1.808155771e+00 3.750580558e+00 2.22 -1.558326184e+00 1.303991699e+00 3.091587740e+00 2.24 -1.753761124e+00 8.411177273e-01 2.486222648e+00 2.26 -1.929119419e+00 4.166960171e-01 1.930574697e+00 2.28 -2.086411430e+00 2.805721317e-02 1.421003557e+00 2.30 -2.228477941e+00 -3.273071311e-01 9.541140331e-01 2.32 -2.353689192e+00 -6.517520871e-01 5.268047040e-01 2.34 -2.463797143e+00 -9.474868101e-01 1.361450461e-01 2.36 -2.560867610e+00 -1.216581864e+00 -2.205925300e-01 2.38 -2.646009119e+00 -1.460976379e+00 -5.459339746e-01 2.40 -2.720245783e+00 -1.682494911e+00 -8.422279477e-01 2.42 -2.784523086e+00 -1.883298034e+00 -1.111658140e+00 2.44 -2.839713321e+00 -2.066129030e+00 -1.356254710e+00 2.46 -2.886620702e+00 -2.229442233e+00 -1.577904871e+00 2.48 -2.925986162e+00 -2.375194729e+00 -1.778362735e+00 2.50 -2.958491846e+00 -2.505498730e+00 -1.959258440e+00 2.52 -2.984765329e+00 -2.621555004e+00 -2.122106643e+00 2.54 -3.005383554e+00 -2.724481905e+00 -2.268314404e+00 2.56 -3.020876522e+00 -2.815320370e+00 -2.399188534e+00 2.58 -3.031730738e+00 -2.895038658e+00 -2.515942418e+00 2.60 -3.038392431e+00 -2.964536850e+00 -2.619702382e+00 2.62 -3.041270550e+00 -3.024651117e+00 -2.711513617e+00 2.64 -3.040739575e+00 -3.076157756e+00 -2.792345696e+00 2.66 -3.037142120e+00 -3.119777013e+00 -2.863097728e+00 2.68 -3.030791367e+00 -3.156176688e+00 -2.924603153e+00 2.70 -3.021973334e+00 -3.185975542e+00 -2.977634222e+00 2.72 -3.010948976e+00 -3.209746508e+00 -3.022906170e+00 2.74 -2.997956148e+00 -3.228019718e+00 -3.061081121e+00 2.76 -2.983211422e+00 -3.241285352e+00 -3.092771758e+00 2.78 -2.966911785e+00 -3.249996320e+00 -3.118852037e+00 2.80 -2.949236203e+00 -3.254570781e+00 -3.142564647e+00 2.82 -2.930347081e+00 -3.255394516e+00 -3.166803687e+00 2.84 -2.910391613e+00 -3.252823147e+00 -3.179727719e+00 2.86 -2.889503039e+00 -3.247184230e+00 -3.186285660e+00 2.88 -2.867801798e+00 -3.238779213e+00 -3.189183313e+00 2.90 -2.845396611e+00 -3.227885268e+00 -3.188769979e+00 2.92 -2.822385466e+00 -3.214757018e+00 -3.185367201e+00 2.94 -2.798856545e+00 -3.199628145e+00 -3.179270722e+00 2.96 -2.774889071e+00 -3.182712896e+00 -3.170752326e+00 2.98 -2.750554091e+00 -3.164207502e+00 -3.160061546e+00 3.00 -2.725915202e+00 -3.144291491e+00 -3.147427262e+00 3.02 -2.701029219e+00 -3.123128923e+00 -3.133059202e+00 3.04 -2.675946791e+00 -3.100869544e+00 -3.117149330e+00 3.06 -2.650712968e+00 -3.077649864e+00 -3.099873152e+00 3.08 -2.625367722e+00 -3.053594156e+00 -3.081390931e+00 3.10 -2.599946428e+00 -3.028815397e+00 -3.061848820e+00 3.12 -2.574480307e+00 -3.003416142e+00 -3.041379925e+00 3.14 -2.548996827e+00 -2.977489334e+00 -3.020105286e+00 3.16 -2.523520078e+00 -2.951119069e+00 -2.998134805e+00 3.18 -2.498071111e+00 -2.924381293e+00 -2.975568097e+00 3.20 -2.472702786e+00 -2.897344467e+00 -2.952495296e+00 3.22 -2.447610067e+00 -2.870070173e+00 -2.928997797e+00 3.24 -2.414294425e+00 -2.842613683e+00 -2.905148951e+00 3.26 -2.357079047e+00 -2.815024486e+00 -2.881014710e+00 3.28 -2.329333939e+00 -2.787346777e+00 -2.856654232e+00 3.30 -2.306099396e+00 -2.759619910e+00 -2.832120433e+00 3.32 -2.282996511e+00 -2.731878822e+00 -2.807460514e+00 3.34 -2.260028529e+00 -2.704154417e+00 -2.782716439e+00 3.36 -2.237197822e+00 -2.676473932e+00 -2.757925386e+00 3.38 -2.214505989e+00 -2.648861039e+00 -2.733120162e+00 3.40 -2.191953956e+00 -2.619777796e+00 -2.708329589e+00 3.42 -2.169542062e+00 -2.573782076e+00 -2.683578861e+00 3.44 -2.147270142e+00 -2.475655303e+00 -2.658889878e+00 3.46 -2.125137603e+00 -2.332112302e+00 -2.634281550e+00 3.48 -2.103143484e+00 -2.295001985e+00 -2.609770080e+00 3.50 -2.080874395e+00 -2.266012268e+00 -2.585369229e+00 3.52 -2.037574138e+00 -2.237378502e+00 -2.561090558e+00 3.54 -1.884290381e+00 -2.209102033e+00 -2.536943645e+00 3.56 -1.477774239e+00 -2.181183014e+00 -2.512936301e+00 3.58 -1.021042481e+00 -2.153620543e+00 -2.489074750e+00 3.60 -1.007811612e+00 -2.126412785e+00 -2.465363806e+00 3.62 -9.947307997e-01 -2.099557095e+00 -2.441807038e+00 3.64 -9.817993743e-01 -2.073050116e+00 -2.418406907e+00 3.66 -9.690164530e-01 -2.046887884e+00 -2.395164910e+00 3.68 -9.563809671e-01 -2.021065912e+00 -2.372081695e+00 3.70 -9.438916875e-01 -1.995579271e+00 -2.349157181e+00 3.72 -9.315472481e-01 -1.970422666e+00 -2.326390651e+00 3.74 -9.193461673e-01 -1.945590501e+00 -2.303780854e+00 3.76 -9.072868667e-01 -1.921076939e+00 -2.281326084e+00 3.78 -8.953676888e-01 -1.896875961e+00 -2.259024259e+00 3.80 -8.835869132e-01 -1.872981407e+00 -2.236872990e+00 3.82 -8.719427700e-01 -1.849387030e+00 -2.214869643e+00 3.84 -8.604334533e-01 -1.826086527e+00 -2.193011394e+00 3.86 -8.490571324e-01 -1.803073582e+00 -2.171295285e+00 3.88 -8.378119621e-01 -1.780341890e+00 -2.149718260e+00 3.90 -8.266960916e-01 -1.757885194e+00 -2.128277214e+00 3.92 -8.143602568e-01 -1.732804049e+00 -2.104159714e+00 3.94 -7.832250933e-01 -1.667225782e+00 -2.039642290e+00 3.96 -6.813902373e-01 -1.449307021e+00 -1.811922124e+00 3.98 -4.096722406e-01 -8.682703550e-01 -1.135710294e+00 4.00 -3.082145551e-22 -6.848434444e-22 -7.184283931e-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 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00