# 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 = AsCu3 # 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 2.976761832e+02 nan nan 0.80 2.789722520e+02 nan nan 0.82 2.613078929e+02 nan nan 0.84 2.446330814e+02 3.036335566e+02 nan 0.86 2.288996911e+02 2.863997758e+02 2.921895343e+02 0.88 2.140614469e+02 2.700229044e+02 2.754556007e+02 0.90 2.000738805e+02 2.544663915e+02 2.595966377e+02 0.92 1.868942885e+02 2.396949356e+02 2.445698477e+02 0.94 1.744816906e+02 2.256744507e+02 2.303344099e+02 0.96 1.627967890e+02 2.123720350e+02 2.168513941e+02 0.98 1.518019274e+02 1.997559399e+02 2.040836779e+02 1.00 1.414610498e+02 1.877955415e+02 1.919958675e+02 1.02 1.317396590e+02 1.764613129e+02 1.805542213e+02 1.04 1.226047746e+02 1.657247972e+02 1.697265768e+02 1.06 1.140248896e+02 1.555585816e+02 1.594822812e+02 1.08 1.059699274e+02 1.459362719e+02 1.497921231e+02 1.10 9.841119777e+01 1.368324678e+02 1.406282696e+02 1.12 9.132135221e+01 1.282227385e+02 1.319642032e+02 1.14 8.467433960e+01 1.200835977e+02 1.237746640e+02 1.16 7.844536124e+01 1.123924802e+02 1.160355922e+02 1.18 7.261082611e+01 1.051277172e+02 1.087240746e+02 1.20 6.714830633e+01 9.826851270e+01 1.018182921e+02 1.22 6.203649290e+01 9.179491922e+01 9.529747075e+01 1.24 5.725515188e+01 8.568781399e+01 8.914183387e+01 1.26 5.278508128e+01 7.992887493e+01 8.333255666e+01 1.28 4.860806853e+01 7.450055678e+01 7.785172280e+01 1.30 4.470684891e+01 6.938606731e+01 7.268228286e+01 1.32 4.106506472e+01 6.456934362e+01 6.780801454e+01 1.34 3.766722561e+01 6.003502853e+01 6.321348472e+01 1.36 3.449866982e+01 5.576844731e+01 5.888401308e+01 1.38 3.154552656e+01 5.175558443e+01 5.480563736e+01 1.40 2.879467956e+01 4.798306075e+01 5.096508022e+01 1.42 2.623373170e+01 4.443811090e+01 4.734971749e+01 1.44 2.385097089e+01 4.110856105e+01 4.394754785e+01 1.46 2.163533712e+01 3.798280702e+01 4.074716388e+01 1.48 1.957639069e+01 3.504979282e+01 3.773772439e+01 1.50 1.766428163e+01 3.229898959e+01 3.490892798e+01 1.52 1.588972033e+01 2.972037502e+01 3.225098775e+01 1.54 1.424394930e+01 2.730441320e+01 2.975460724e+01 1.56 1.271871612e+01 2.504203504e+01 2.741095732e+01 1.58 1.130624745e+01 2.292461911e+01 2.521165425e+01 1.60 9.999224231e+00 2.094397307e+01 2.314873857e+01 1.62 8.790757914e+00 1.909231557e+01 2.121465511e+01 1.64 7.674367723e+00 1.736225870e+01 1.940223376e+01 1.66 6.643958982e+00 1.574679102e+01 1.770467118e+01 1.68 5.693802393e+00 1.423926108e+01 1.611551334e+01 1.70 4.818514295e+00 1.283336146e+01 1.462863878e+01 1.72 4.013037838e+00 1.152311342e+01 1.323824273e+01 1.74 3.272625046e+00 1.030285200e+01 1.193882183e+01 1.76 2.592819756e+00 9.167211713e+00 1.072515969e+01 1.78 1.969441368e+00 8.111112694e+00 9.592312937e+00 1.80 1.398569407e+00 7.129747405e+00 8.535598027e+00 1.82 8.765288394e-01 6.218567815e+00 7.550578611e+00 1.84 3.998761378e-01 5.373273091e+00 6.633053474e+00 1.86 -3.461396651e-02 4.589797745e+00 5.779045029e+00 1.88 -4.299610393e-01 3.864300275e+00 4.984788343e+00 1.90 -7.889908632e-01 3.193152246e+00 4.246720659e+00 1.92 -1.114346735e+00 2.572927824e+00 3.561471409e+00 1.94 -1.408500171e+00 2.000393743e+00 2.925852680e+00 1.96 -1.673761132e+00 1.472499691e+00 2.336850118e+00 1.98 -1.912293014e+00 9.863691110e-01 1.791614266e+00 2.00 -2.126116519e+00 5.392903843e-01 1.287452283e+00 2.02 -2.317082707e+00 1.287084157e-01 8.218200722e-01 2.04 -2.486964017e+00 -2.477834313e-01 3.923147547e-01 2.06 -2.637396253e+00 -5.924563337e-01 -3.332488654e-03 2.08 -2.769903953e+00 -9.074743675e-01 -3.672632529e-01 2.10 -2.886007153e+00 -1.194780177e+00 -7.014984116e-01 2.12 -2.989134937e+00 -1.456268260e+00 -1.007944321e+00 2.14 -3.080143815e+00 -1.693729990e+00 -1.288398727e+00 2.16 -3.153863706e+00 -1.908831125e+00 -1.544556392e+00 2.18 -3.215856713e+00 -2.103135982e+00 -1.778014455e+00 2.20 -3.267110728e+00 -2.278112957e+00 -1.990277533e+00 2.22 -3.308542942e+00 -2.435139787e+00 -2.182762584e+00 2.24 -3.341004401e+00 -2.575508549e+00 -2.356803522e+00 2.26 -3.365284295e+00 -2.700430425e+00 -2.513656614e+00 2.28 -3.382113994e+00 -2.811040225e+00 -2.654621775e+00 2.30 -3.392170846e+00 -2.908400688e+00 -2.781215972e+00 2.32 -3.396081749e+00 -2.993506568e+00 -2.893535567e+00 2.34 -3.394426509e+00 -3.067288517e+00 -2.992715514e+00 2.36 -3.387740995e+00 -3.130616769e+00 -3.079945264e+00 2.38 -3.376520105e+00 -3.184304634e+00 -3.156089337e+00 2.40 -3.361220545e+00 -3.229135735e+00 -3.221958955e+00 2.42 -3.342263449e+00 -3.266911428e+00 -3.278314988e+00 2.44 -3.320036820e+00 -3.300762080e+00 -3.325870742e+00 2.46 -3.294897837e+00 -3.324406958e+00 -3.365294618e+00 2.48 -3.267175004e+00 -3.339973518e+00 -3.397212626e+00 2.50 -3.237170172e+00 -3.349780548e+00 -3.422210776e+00 2.52 -3.205160427e+00 -3.354326135e+00 -3.440837352e+00 2.54 -3.171399864e+00 -3.354073518e+00 -3.453605059e+00 2.56 -3.136121239e+00 -3.349453238e+00 -3.460993067e+00 2.58 -3.099537522e+00 -3.340865165e+00 -3.463448948e+00 2.60 -3.061843344e+00 -3.328680419e+00 -3.461390511e+00 2.62 -3.023216353e+00 -3.313243179e+00 -3.455207539e+00 2.64 -2.983818473e+00 -3.294872394e+00 -3.445263444e+00 2.66 -2.943797094e+00 -3.273863397e+00 -3.431896818e+00 2.68 -2.903286163e+00 -3.250489426e+00 -3.415422921e+00 2.70 -2.862407221e+00 -3.225003063e+00 -3.396135074e+00 2.72 -2.821270357e+00 -3.197637581e+00 -3.374305986e+00 2.74 -2.779975098e+00 -3.168608222e+00 -3.350189008e+00 2.76 -2.738611247e+00 -3.138113399e+00 -3.324019286e+00 2.78 -2.697259651e+00 -3.106335818e+00 -3.295761241e+00 2.80 -2.655992924e+00 -3.073443550e+00 -3.262875992e+00 2.82 -2.614876117e+00 -3.039591019e+00 -3.219703473e+00 2.84 -2.573967335e+00 -3.004919953e+00 -3.183408500e+00 2.86 -2.533318321e+00 -2.969560255e+00 -3.149947961e+00 2.88 -2.492974989e+00 -2.933630839e+00 -3.115559045e+00 2.90 -2.452977918e+00 -2.897240402e+00 -3.080376611e+00 2.92 -2.413362820e+00 -2.860488157e+00 -3.044524697e+00 2.94 -2.374160960e+00 -2.823464516e+00 -3.008117238e+00 2.96 -2.335399554e+00 -2.786251728e+00 -2.971258731e+00 2.98 -2.297102133e+00 -2.748924482e+00 -2.934044869e+00 3.00 -2.259288884e+00 -2.711550467e+00 -2.896563137e+00 3.02 -2.221976955e+00 -2.674190900e+00 -2.858893372e+00 3.04 -2.185180749e+00 -2.636901015e+00 -2.821108292e+00 3.06 -2.148912187e+00 -2.599730521e+00 -2.783273994e+00 3.08 -2.113180947e+00 -2.562724037e+00 -2.745450421e+00 3.10 -2.077994698e+00 -2.525921486e+00 -2.707691802e+00 3.12 -2.043359297e+00 -2.489358471e+00 -2.670047065e+00 3.14 -2.009278983e+00 -2.453066627e+00 -2.632560224e+00 3.16 -1.975756550e+00 -2.417073939e+00 -2.595270744e+00 3.18 -1.942793505e+00 -2.381405048e+00 -2.558213885e+00 3.20 -1.909687597e+00 -2.346081533e+00 -2.521421016e+00 3.22 -1.859779994e+00 -2.311122171e+00 -2.484919921e+00 3.24 -1.737524982e+00 -2.276543178e+00 -2.448735076e+00 3.26 -1.528109811e+00 -2.242358440e+00 -2.412887913e+00 3.28 -1.480508348e+00 -2.208579715e+00 -2.377397064e+00 3.30 -1.455793942e+00 -2.175216834e+00 -2.342278592e+00 3.32 -1.431523895e+00 -2.142277875e+00 -2.307546207e+00 3.34 -1.407692926e+00 -2.109769332e+00 -2.273211459e+00 3.36 -1.384295295e+00 -2.077696270e+00 -2.239283933e+00 3.38 -1.361324867e+00 -2.046062272e+00 -2.205771415e+00 3.40 -1.338775173e+00 -2.013622641e+00 -2.172680058e+00 3.42 -1.316639469e+00 -1.968036458e+00 -2.140014530e+00 3.44 -1.294910784e+00 -1.877237808e+00 -2.107778154e+00 3.46 -1.273581968e+00 -1.736234474e+00 -2.075973038e+00 3.48 -1.252645736e+00 -1.701115564e+00 -2.044600193e+00 3.50 -1.231902551e+00 -1.674612279e+00 -2.013659648e+00 3.52 -1.201714400e+00 -1.648578246e+00 -1.983150549e+00 3.54 -1.118102063e+00 -1.623010087e+00 -1.953071256e+00 3.56 -8.875355839e-01 -1.597903954e+00 -1.923419430e+00 3.58 -5.521210564e-01 -1.573255587e+00 -1.894192115e+00 3.60 -5.445694760e-01 -1.549060360e+00 -1.865385812e+00 3.62 -5.371006494e-01 -1.525313326e+00 -1.836996548e+00 3.64 -5.297133210e-01 -1.502009258e+00 -1.809019937e+00 3.66 -5.224062778e-01 -1.479142685e+00 -1.781451241e+00 3.68 -5.151783528e-01 -1.456707923e+00 -1.754285419e+00 3.70 -5.080284266e-01 -1.434699105e+00 -1.727517180e+00 3.72 -5.009554287e-01 -1.413110209e+00 -1.701141022e+00 3.74 -4.939583383e-01 -1.391935073e+00 -1.675151276e+00 3.76 -4.870361848e-01 -1.371167420e+00 -1.649542140e+00 3.78 -4.801880476e-01 -1.350800875e+00 -1.624307713e+00 3.80 -4.734130554e-01 -1.330828974e+00 -1.599442025e+00 3.82 -4.667103857e-01 -1.311245176e+00 -1.574939062e+00 3.84 -4.600792632e-01 -1.292042876e+00 -1.550792794e+00 3.86 -4.535189588e-01 -1.273215405e+00 -1.526997191e+00 3.88 -4.470287876e-01 -1.254756040e+00 -1.503546248e+00 3.90 -4.406081071e-01 -1.236658001e+00 -1.480433996e+00 3.92 -4.333134689e-01 -1.216862912e+00 -1.455515983e+00 3.94 -4.130891344e-01 -1.168817906e+00 -1.400790029e+00 3.96 -3.478072294e-01 -1.015197711e+00 -1.230121501e+00 3.98 -1.933605603e-01 -6.097406291e-01 -7.581327674e-01 4.00 -1.085208938e-22 -3.850750587e-22 -4.468742241e-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 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