# 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-Sb # implementation = 2026--Park-J-H--Fe-Cu-Sb--LAMMPS--ipr1 # composition = CuSb3 # 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 3.226361241e+02 nan nan 0.80 3.098684837e+02 nan nan 0.82 2.974960802e+02 nan nan 0.84 2.854955057e+02 2.235061150e+02 nan 0.86 2.738432730e+02 2.154665079e+02 2.719001402e+02 0.88 2.625163918e+02 2.076772433e+02 2.588537763e+02 0.90 2.514930113e+02 2.001321629e+02 2.463255276e+02 0.92 2.407530816e+02 1.928251738e+02 2.343039468e+02 0.94 2.302789790e+02 1.857502537e+02 2.227769973e+02 0.96 2.200560424e+02 1.789014560e+02 2.117321305e+02 0.98 2.100729727e+02 1.722729133e+02 2.011563635e+02 1.00 2.003220613e+02 1.658588419e+02 1.910363576e+02 1.02 1.907992260e+02 1.596535443e+02 1.813584939e+02 1.04 1.815038519e+02 1.536514125e+02 1.721089477e+02 1.06 1.724384515e+02 1.478469300e+02 1.632737589e+02 1.08 1.636081708e+02 1.422346742e+02 1.548388989e+02 1.10 1.550201842e+02 1.368093177e+02 1.467903329e+02 1.12 1.466830217e+02 1.315656296e+02 1.391140774e+02 1.14 1.386058797e+02 1.264984757e+02 1.317962529e+02 1.16 1.307979569e+02 1.216028183e+02 1.248231314e+02 1.18 1.232678561e+02 1.168737147e+02 1.181811788e+02 1.20 1.160230789e+02 1.123063145e+02 1.118570923e+02 1.22 1.090696301e+02 1.078958541e+02 1.058378326e+02 1.24 1.024117410e+02 1.036376490e+02 1.001106522e+02 1.26 9.605170726e+01 9.952708277e+01 9.466311838e+01 1.28 8.998983296e+01 9.555959172e+01 8.948313224e+01 1.30 8.422446539e+01 9.173064544e+01 8.455894427e+01 1.32 7.875210372e+01 8.803572308e+01 7.987916584e+01 1.34 7.356756227e+01 8.447028589e+01 7.543277772e+01 1.36 6.866417098e+01 8.102974718e+01 7.120913552e+01 1.38 6.403399680e+01 7.770944186e+01 6.719797250e+01 1.40 5.966807233e+01 7.450459786e+01 6.338940009e+01 1.42 5.555662091e+01 7.141031287e+01 5.977390630e+01 1.44 5.168926986e+01 6.842153961e+01 5.634235230e+01 1.46 4.805524623e+01 6.553308331e+01 5.308596750e+01 1.48 4.464355169e+01 6.273961443e+01 4.999634324e+01 1.50 4.144311467e+01 6.003569912e+01 4.706542546e+01 1.52 3.844291970e+01 5.741584874e+01 4.428550635e+01 1.54 3.563211449e+01 5.487458862e+01 4.164921530e+01 1.56 3.300009638e+01 5.240654447e+01 3.914950930e+01 1.58 3.053657997e+01 5.000654335e+01 3.677966280e+01 1.60 2.823164800e+01 4.766972468e+01 3.453325733e+01 1.62 2.607578785e+01 4.539165499e+01 3.240417085e+01 1.64 2.405991559e+01 4.316843951e+01 3.038656702e+01 1.66 2.217538975e+01 4.099682267e+01 2.847488442e+01 1.68 2.041401659e+01 3.887427000e+01 2.666382580e+01 1.70 1.876804854e+01 3.679902423e+01 2.494834741e+01 1.72 1.723017727e+01 3.477013007e+01 2.332364850e+01 1.74 1.579352257e+01 3.278742413e+01 2.178516102e+01 1.76 1.445161819e+01 3.085148863e+01 2.032853954e+01 1.78 1.319839543e+01 2.896357076e+01 1.894965135e+01 1.80 1.202816531e+01 2.712547197e+01 1.764456698e+01 1.82 1.093559977e+01 2.533941376e+01 1.640955084e+01 1.84 9.915712512e+00 2.360788844e+01 1.524105232e+01 1.86 8.963839810e+00 2.193350424e+01 1.413569711e+01 1.88 8.075621484e+00 2.031883389e+01 1.309027884e+01 1.90 7.246982414e+00 1.876627540e+01 1.210175109e+01 1.92 6.474114627e+00 1.727793176e+01 1.116721966e+01 1.94 5.753460135e+00 1.585551459e+01 1.028393523e+01 1.96 5.081694560e+00 1.450027454e+01 9.449286239e+00 1.98 4.455711617e+00 1.321295885e+01 8.660792138e+00 2.00 3.872608460e+00 1.199379481e+01 7.916096934e+00 2.02 3.329671928e+00 1.084249643e+01 7.212963007e+00 2.04 2.824365549e+00 9.758290324e+00 6.549265222e+00 2.06 2.354317493e+00 8.739956648e+00 5.922985312e+00 2.08 1.917309263e+00 7.785880597e+00 5.332206536e+00 2.10 1.511265171e+00 6.894110352e+00 4.775108576e+00 2.12 1.134242535e+00 6.062417755e+00 4.249962697e+00 2.14 7.844225672e-01 5.288358691e+00 3.755127135e+00 2.16 4.601019136e-01 4.569330771e+00 3.289042712e+00 2.18 1.596847930e-01 3.902626617e+00 2.850228667e+00 2.20 -1.183242933e-01 3.285481643e+00 2.437278704e+00 2.22 -3.753273253e-01 2.715115712e+00 2.048857223e+00 2.24 -6.126390378e-01 2.188768512e+00 1.683695755e+00 2.26 -8.314930431e-01 1.703728770e+00 1.340589564e+00 2.28 -1.033082785e+00 1.257357676e+00 1.018394434e+00 2.30 -1.218613197e+00 8.471070046e-01 7.160236082e-01 2.32 -1.388818159e+00 4.705325477e-01 4.324448922e-01 2.34 -1.544707493e+00 1.253034484e-01 1.666778984e-01 2.36 -1.687260834e+00 -1.907919307e-01 -8.220856410e-02 2.38 -1.817323543e+00 -4.798430312e-01 -3.150989681e-01 2.40 -1.935690100e+00 -7.438167411e-01 -5.328334202e-01 2.42 -2.043107312e+00 -9.845699834e-01 -7.362098917e-01 2.44 -2.140277312e+00 -1.203856781e+00 -9.259863361e-01 2.46 -2.227860341e+00 -1.403211700e+00 -1.102882698e+00 2.48 -2.306477340e+00 -1.584152066e+00 -1.267582817e+00 2.50 -2.376712377e+00 -1.748093945e+00 -1.420736240e+00 2.52 -2.439114894e+00 -1.896333143e+00 -1.562959934e+00 2.54 -2.494201821e+00 -2.030071391e+00 -1.694839917e+00 2.56 -2.542459537e+00 -2.150422063e+00 -1.816932803e+00 2.58 -2.584345710e+00 -2.258415830e+00 -1.929767265e+00 2.60 -2.620291019e+00 -2.355006194e+00 -2.033845436e+00 2.62 -2.650700757e+00 -2.441074819e+00 -2.129644222e+00 2.64 -2.675956341e+00 -2.517436645e+00 -2.217616559e+00 2.66 -2.696416720e+00 -2.584844742e+00 -2.298192607e+00 2.68 -2.712419699e+00 -2.643994904e+00 -2.371780877e+00 2.70 -2.724283177e+00 -2.695529956e+00 -2.438769309e+00 2.72 -2.732306314e+00 -2.740043797e+00 -2.499526284e+00 2.74 -2.736770618e+00 -2.778085167e+00 -2.554401601e+00 2.76 -2.737940976e+00 -2.810161147e+00 -2.603727392e+00 2.78 -2.736066616e+00 -2.836740412e+00 -2.647825105e+00 2.80 -2.731382013e+00 -2.858256237e+00 -2.687039694e+00 2.82 -2.724107739e+00 -2.875109284e+00 -2.721669840e+00 2.84 -2.714451269e+00 -2.887670163e+00 -2.751791638e+00 2.86 -2.702607733e+00 -2.896281798e+00 -2.777756469e+00 2.88 -2.688760626e+00 -2.901261607e+00 -2.799841844e+00 2.90 -2.673082477e+00 -2.902903506e+00 -2.818278309e+00 2.92 -2.655735476e+00 -2.901479751e+00 -2.833284625e+00 2.94 -2.636872073e+00 -2.897242631e+00 -2.845068351e+00 2.96 -2.616635530e+00 -2.890426024e+00 -2.853826394e+00 2.98 -2.595160451e+00 -2.881246827e+00 -2.859745535e+00 3.00 -2.572573277e+00 -2.869906268e+00 -2.863002927e+00 3.02 -2.548992753e+00 -2.856591110e+00 -2.863766569e+00 3.04 -2.524530368e+00 -2.841474760e+00 -2.862195759e+00 3.06 -2.499290768e+00 -2.824718282e+00 -2.858441517e+00 3.08 -2.473372150e+00 -2.806471336e+00 -2.852647002e+00 3.10 -2.446866625e+00 -2.786873028e+00 -2.844947890e+00 3.12 -2.419860566e+00 -2.766052708e+00 -2.835472749e+00 3.14 -2.392434936e+00 -2.744130683e+00 -2.824343390e+00 3.16 -2.364665588e+00 -2.721218895e+00 -2.811675195e+00 3.18 -2.336623556e+00 -2.697421524e+00 -2.797577440e+00 3.20 -2.308206792e+00 -2.672835557e+00 -2.782153594e+00 3.22 -2.274926394e+00 -2.647551303e+00 -2.765501608e+00 3.24 -2.217010331e+00 -2.621652877e+00 -2.747714185e+00 3.26 -2.116170310e+00 -2.595218631e+00 -2.728879044e+00 3.28 -2.076085645e+00 -2.568321566e+00 -2.709079163e+00 3.30 -2.046833224e+00 -2.541029701e+00 -2.688393018e+00 3.32 -2.017935532e+00 -2.513406422e+00 -2.666894804e+00 3.34 -1.989421669e+00 -2.485510795e+00 -2.644654649e+00 3.36 -1.961317140e+00 -2.457397857e+00 -2.621738815e+00 3.38 -1.933644042e+00 -2.429118862e+00 -2.598209895e+00 3.40 -1.906421221e+00 -2.400500632e+00 -2.574126991e+00 3.42 -1.879664426e+00 -2.369268524e+00 -2.549545892e+00 3.44 -1.853386438e+00 -2.329821572e+00 -2.524519238e+00 3.46 -1.827597189e+00 -2.282981263e+00 -2.499096678e+00 3.48 -1.802303875e+00 -2.252370921e+00 -2.473325022e+00 3.50 -1.777207414e+00 -2.223136888e+00 -2.447248385e+00 3.52 -1.736904822e+00 -2.194118010e+00 -2.420908316e+00 3.54 -1.608767131e+00 -2.165336973e+00 -2.394343937e+00 3.56 -1.244261185e+00 -2.136814556e+00 -2.367592057e+00 3.58 -9.013357424e-01 -2.108569735e+00 -2.340687299e+00 3.60 -8.827865681e-01 -2.080619788e+00 -2.313662201e+00 3.62 -8.645201094e-01 -2.052980378e+00 -2.286547329e+00 3.64 -8.465416500e-01 -2.025665643e+00 -2.259371376e+00 3.66 -8.288554744e-01 -1.998688262e+00 -2.232161258e+00 3.68 -8.114649458e-01 -1.972059530e+00 -2.204942203e+00 3.70 -7.943725792e-01 -1.945789410e+00 -2.177737844e+00 3.72 -7.775801115e-01 -1.919886596e+00 -2.150570293e+00 3.74 -7.610885664e-01 -1.894358552e+00 -2.123460226e+00 3.76 -7.448983170e-01 -1.869211566e+00 -2.096426957e+00 3.78 -7.290091428e-01 -1.844450777e+00 -2.069488505e+00 3.80 -7.134202850e-01 -1.820080217e+00 -2.042661665e+00 3.82 -6.981304965e-01 -1.796102837e+00 -2.015962074e+00 3.84 -6.831380900e-01 -1.772520533e+00 -1.989404267e+00 3.86 -6.684409818e-01 -1.749334164e+00 -1.963001738e+00 3.88 -6.540367330e-01 -1.726543573e+00 -1.936766995e+00 3.90 -6.399225880e-01 -1.704147600e+00 -1.910711615e+00 3.92 -6.247699178e-01 -1.679960651e+00 -1.882291774e+00 3.94 -5.916885122e-01 -1.625117657e+00 -1.817467369e+00 3.96 -4.957611356e-01 -1.445933856e+00 -1.606981039e+00 3.98 -2.749525286e-01 -9.150315917e-01 -1.001539063e+00 4.00 -2.014151030e-22 -5.352007019e-22 -5.032780611e-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 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