# 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 = Cu3Sb # 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 3.384695883e+02 nan nan 0.80 3.186114578e+02 nan nan 0.82 2.998778662e+02 nan nan 0.84 2.822071856e+02 3.198941544e+02 nan 0.86 2.655410447e+02 3.023925533e+02 3.531919753e+02 0.88 2.498241608e+02 2.858008543e+02 3.333711215e+02 0.90 2.350041784e+02 2.700736547e+02 3.145500284e+02 0.92 2.210315142e+02 2.551677372e+02 2.966816750e+02 0.94 2.078592048e+02 2.410419676e+02 2.797214884e+02 0.96 1.954427587e+02 2.276571966e+02 2.636271678e+02 0.98 1.837400057e+02 2.149761662e+02 2.483585193e+02 1.00 1.727109463e+02 2.029634209e+02 2.338773019e+02 1.02 1.623175967e+02 1.915852219e+02 2.201470860e+02 1.04 1.525238305e+02 1.808094659e+02 2.071331236e+02 1.06 1.432952199e+02 1.706056072e+02 1.948022310e+02 1.08 1.345988788e+02 1.609445822e+02 1.831226823e+02 1.10 1.264033154e+02 1.517987374e+02 1.720641153e+02 1.12 1.186783024e+02 1.431417585e+02 1.615974475e+02 1.14 1.113947727e+02 1.349486011e+02 1.516948015e+02 1.16 1.045247505e+02 1.271954224e+02 1.423294403e+02 1.18 9.804132418e+01 1.198595126e+02 1.334757098e+02 1.20 9.191866530e+01 1.129192267e+02 1.251089886e+02 1.22 8.613209413e+01 1.063539160e+02 1.172056444e+02 1.24 8.065818633e+01 1.001438601e+02 1.097429947e+02 1.26 7.547491167e+01 9.427020042e+01 1.026992728e+02 1.28 7.056179034e+01 8.871487724e+01 9.605359624e+01 1.30 6.590004893e+01 8.346057098e+01 8.978593931e+01 1.32 6.147275631e+01 7.849065162e+01 8.387710666e+01 1.34 5.726491967e+01 7.378913735e+01 7.830870911e+01 1.36 5.326352367e+01 6.934066522e+01 7.306314057e+01 1.38 4.945750052e+01 6.513047501e+01 6.812355573e+01 1.40 4.583762574e+01 6.114440751e+01 6.347384830e+01 1.42 4.239634221e+01 5.736891657e+01 5.909862960e+01 1.44 3.912752287e+01 5.379109418e+01 5.498320726e+01 1.46 3.602618926e+01 5.039870560e+01 5.111356400e+01 1.48 3.308820712e+01 4.718023132e+01 4.747633638e+01 1.50 3.030998178e+01 4.412491119e+01 4.405879354e+01 1.52 2.768817483e+01 4.122278561e+01 4.084881580e+01 1.54 2.521945913e+01 3.846472843e+01 3.783487341e+01 1.56 2.290032432e+01 3.584246661e+01 3.500600516e+01 1.58 2.072693836e+01 3.334858221e+01 3.235179717e+01 1.60 1.869506495e+01 3.097649390e+01 2.986236175e+01 1.62 1.680003222e+01 2.872041654e+01 2.752831649e+01 1.64 1.503674435e+01 2.657529960e+01 2.534076356e+01 1.66 1.339972633e+01 2.453674680e+01 2.329126934e+01 1.68 1.188319162e+01 2.260092116e+01 2.137184442e+01 1.70 1.048112309e+01 2.076444092e+01 1.957492394e+01 1.72 9.187359059e+00 1.902427222e+01 1.789334852e+01 1.74 7.995677951e+00 1.737762482e+01 1.632034551e+01 1.76 6.899876846e+00 1.582185595e+01 1.484951090e+01 1.78 5.893840958e+00 1.435438700e+01 1.347479169e+01 1.80 4.971602369e+00 1.297263571e+01 1.219046891e+01 1.82 4.127387488e+00 1.167396554e+01 1.099114111e+01 1.84 3.355653565e+00 1.045565213e+01 9.871708590e+00 1.86 2.651115045e+00 9.314865803e+00 8.827358080e+00 1.88 2.008760929e+00 8.248668059e+00 7.853548132e+00 1.90 1.423864425e+00 7.254019465e+00 6.945995050e+00 1.92 8.919861886e-01 6.327796198e+00 6.100659435e+00 1.94 4.089724203e-01 5.466812444e+00 5.313733312e+00 1.96 -2.905118603e-02 4.667846158e+00 4.581627816e+00 1.98 -4.256963908e-01 3.927666050e+00 3.900961463e+00 2.00 -7.843158712e-01 3.243058070e+00 3.268548944e+00 2.02 -1.107962822e+00 2.610850140e+00 2.681390468e+00 2.04 -1.399527701e+00 2.027934258e+00 2.136661606e+00 2.06 -1.661654606e+00 1.491280188e+00 1.631703646e+00 2.08 -1.896782132e+00 9.979299997e-01 1.164014414e+00 2.10 -2.107239543e+00 5.451316561e-01 7.312395675e-01 2.12 -2.296837860e+00 1.301820754e-01 3.311643309e-01 2.14 -2.467194082e+00 -2.495059273e-01 -3.829434874e-02 2.16 -2.614784846e+00 -5.963711828e-01 -3.790952301e-01 2.18 -2.744964943e+00 -9.127210941e-01 -6.930798243e-01 2.20 -2.859215153e+00 -1.200732043e+00 -9.819790593e-01 2.22 -2.958894146e+00 -1.462451315e+00 -1.247419600e+00 2.24 -3.045244810e+00 -1.699800213e+00 -1.490929816e+00 2.26 -3.119416988e+00 -1.914578103e+00 -1.713946349e+00 2.28 -3.182463231e+00 -2.108467121e+00 -1.917926860e+00 2.30 -3.235350024e+00 -2.283037359e+00 -2.104505212e+00 2.32 -3.278964787e+00 -2.439752348e+00 -2.274002487e+00 2.34 -3.314122348e+00 -2.579974690e+00 -2.427681795e+00 2.36 -3.341570877e+00 -2.704971739e+00 -2.566834885e+00 2.38 -3.361997339e+00 -2.815921235e+00 -2.692444119e+00 2.40 -3.376032517e+00 -2.913930805e+00 -2.805430992e+00 2.42 -3.384255614e+00 -3.000659319e+00 -2.906659714e+00 2.44 -3.387198483e+00 -3.078566699e+00 -2.996940598e+00 2.46 -3.385349503e+00 -3.144381981e+00 -3.077033254e+00 2.48 -3.379157134e+00 -3.199788705e+00 -3.147649601e+00 2.50 -3.369033186e+00 -3.246635337e+00 -3.209456706e+00 2.52 -3.355355805e+00 -3.285616252e+00 -3.263079471e+00 2.54 -3.338472222e+00 -3.317374226e+00 -3.309103153e+00 2.56 -3.318701269e+00 -3.342504122e+00 -3.348075748e+00 2.58 -3.296335688e+00 -3.361556340e+00 -3.380510238e+00 2.60 -3.271644251e+00 -3.375040041e+00 -3.406886701e+00 2.62 -3.244873702e+00 -3.383426149e+00 -3.427654312e+00 2.64 -3.216250544e+00 -3.387150150e+00 -3.443233212e+00 2.66 -3.185982674e+00 -3.386614695e+00 -3.454016283e+00 2.68 -3.154260886e+00 -3.382192011e+00 -3.460370813e+00 2.70 -3.121260256e+00 -3.374226152e+00 -3.462640062e+00 2.72 -3.087141402e+00 -3.363035077e+00 -3.461144740e+00 2.74 -3.052051655e+00 -3.348912584e+00 -3.456184395e+00 2.76 -3.016126124e+00 -3.332130097e+00 -3.448038706e+00 2.78 -2.979488683e+00 -3.312938328e+00 -3.436792603e+00 2.80 -2.942252871e+00 -3.291568813e+00 -3.420838811e+00 2.82 -2.904522722e+00 -3.268235337e+00 -3.396241643e+00 2.84 -2.866393529e+00 -3.243135254e+00 -3.375304988e+00 2.86 -2.827952548e+00 -3.216450705e+00 -3.355147242e+00 2.88 -2.789279640e+00 -3.188349754e+00 -3.333112186e+00 2.90 -2.750447862e+00 -3.158987435e+00 -3.309373301e+00 2.92 -2.711524019e+00 -3.128506720e+00 -3.284092020e+00 2.94 -2.672569160e+00 -3.097039420e+00 -3.257418500e+00 2.96 -2.633639044e+00 -3.064707018e+00 -3.229492340e+00 2.98 -2.594784559e+00 -3.031621437e+00 -3.200443260e+00 3.00 -2.556052119e+00 -2.997885759e+00 -3.170391740e+00 3.02 -2.517484018e+00 -2.963594880e+00 -3.139449615e+00 3.04 -2.479118761e+00 -2.928836129e+00 -3.107720642e+00 3.06 -2.440991373e+00 -2.893689829e+00 -3.075301023e+00 3.08 -2.403133670e+00 -2.858229829e+00 -3.042279906e+00 3.10 -2.365574524e+00 -2.822523986e+00 -3.008739846e+00 3.12 -2.328340093e+00 -2.786634617e+00 -2.974757245e+00 3.14 -2.291454042e+00 -2.750618919e+00 -2.940402760e+00 3.16 -2.254937742e+00 -2.714529351e+00 -2.905741685e+00 3.18 -2.218810451e+00 -2.678414000e+00 -2.870834317e+00 3.20 -2.182383373e+00 -2.642316906e+00 -2.835736288e+00 3.22 -2.128958112e+00 -2.606278370e+00 -2.800498883e+00 3.24 -2.004188604e+00 -2.570335244e+00 -2.765169339e+00 3.26 -1.799564117e+00 -2.534521188e+00 -2.729791118e+00 3.28 -1.749652702e+00 -2.498866920e+00 -2.694404171e+00 3.30 -1.720832210e+00 -2.463400438e+00 -2.659045178e+00 3.32 -1.692422521e+00 -2.428147229e+00 -2.623747778e+00 3.34 -1.664428001e+00 -2.393130467e+00 -2.588542780e+00 3.36 -1.636851974e+00 -2.358371185e+00 -2.553458364e+00 3.38 -1.609696805e+00 -2.323888140e+00 -2.518520264e+00 3.40 -1.582963982e+00 -2.287691907e+00 -2.483751945e+00 3.42 -1.556654183e+00 -2.230774968e+00 -2.449174764e+00 3.44 -1.530767351e+00 -2.112801184e+00 -2.414808123e+00 3.46 -1.505302752e+00 -1.946557693e+00 -2.380669608e+00 3.48 -1.480259034e+00 -1.908466770e+00 -2.346775122e+00 3.50 -1.455326148e+00 -1.879859700e+00 -2.313139011e+00 3.52 -1.415197323e+00 -1.851650638e+00 -2.279774177e+00 3.54 -1.293827837e+00 -1.823843779e+00 -2.246692184e+00 3.56 -9.705135924e-01 -1.796442512e+00 -2.213903359e+00 3.58 -5.521210564e-01 -1.769449475e+00 -2.181416886e+00 3.60 -5.445694760e-01 -1.742866607e+00 -2.149240892e+00 3.62 -5.371006494e-01 -1.716695195e+00 -2.117382527e+00 3.64 -5.297133210e-01 -1.690935915e+00 -2.085848039e+00 3.66 -5.224062778e-01 -1.665588867e+00 -2.054642848e+00 3.68 -5.151783528e-01 -1.640653607e+00 -2.023771602e+00 3.70 -5.080284266e-01 -1.616129169e+00 -1.993238247e+00 3.72 -5.009554287e-01 -1.592014098e+00 -1.963046077e+00 3.74 -4.939583383e-01 -1.568306456e+00 -1.933197789e+00 3.76 -4.870361848e-01 -1.545003846e+00 -1.903695529e+00 3.78 -4.801880476e-01 -1.522103419e+00 -1.874540939e+00 3.80 -4.734130554e-01 -1.499601881e+00 -1.845735196e+00 3.82 -4.667103857e-01 -1.477495504e+00 -1.817279055e+00 3.84 -4.600792632e-01 -1.455780118e+00 -1.789172879e+00 3.86 -4.535189588e-01 -1.434451119e+00 -1.761416676e+00 3.88 -4.470287876e-01 -1.413503463e+00 -1.734010129e+00 3.90 -4.406081071e-01 -1.392931660e+00 -1.706952623e+00 3.92 -4.333134689e-01 -1.370187682e+00 -1.677372045e+00 3.94 -4.130891344e-01 -1.312552328e+00 -1.608074379e+00 3.96 -3.478072294e-01 -1.128064649e+00 -1.391320141e+00 3.98 -1.933605603e-01 -6.608157032e-01 -8.288810048e-01 4.00 -1.085208938e-22 -3.993033407e-22 -4.228255981e-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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