# 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 = Cu3Fe # 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 5.039799982e+02 nan nan 0.80 4.703996988e+02 nan nan 0.82 4.389536196e+02 nan nan 0.84 4.095113917e+02 5.141703796e+02 nan 0.86 3.819503295e+02 4.820574556e+02 5.202924864e+02 0.88 3.561549916e+02 4.518510488e+02 4.892250161e+02 0.90 3.320167648e+02 4.234421025e+02 4.599346853e+02 0.92 3.094334723e+02 3.967276273e+02 4.323225959e+02 0.94 2.883090033e+02 3.716103688e+02 4.062948875e+02 0.96 2.685529646e+02 3.479984945e+02 3.817623009e+02 0.98 2.500803499e+02 3.258052965e+02 3.586397199e+02 1.00 2.328112300e+02 3.049489113e+02 3.368457113e+02 1.02 2.166704590e+02 2.853520539e+02 3.163020946e+02 1.04 2.015873973e+02 2.669417668e+02 2.969335830e+02 1.06 1.874956507e+02 2.496491826e+02 2.786675454e+02 1.08 1.743328217e+02 2.334092991e+02 2.614339323e+02 1.10 1.620402678e+02 2.181607677e+02 2.451653969e+02 1.12 1.505628469e+02 2.038456917e+02 2.297976170e+02 1.14 1.398486088e+02 1.904094373e+02 2.152697925e+02 1.16 1.298483615e+02 1.778004536e+02 2.015252603e+02 1.18 1.205150314e+02 1.659701030e+02 1.885121365e+02 1.20 1.118027834e+02 1.548725012e+02 1.761838766e+02 1.22 1.036659920e+02 1.444643647e+02 1.644996427e+02 1.24 9.605832761e+01 1.347048664e+02 1.534243851e+02 1.26 8.893236135e+01 1.255554960e+02 1.429285859e+02 1.28 8.224009503e+01 1.169799180e+02 1.329876671e+02 1.30 7.593463812e+01 1.089438153e+02 1.235811202e+02 1.32 6.997289395e+01 1.014146978e+02 1.146914604e+02 1.34 6.431869384e+01 9.436165274e+01 1.063031311e+02 1.36 5.894549840e+01 8.775502017e+01 9.840148223e+01 1.38 5.383775496e+01 8.156600702e+01 9.097191890e+01 1.40 4.899034307e+01 7.576629285e+01 8.399928185e+01 1.42 4.440615613e+01 7.032772477e+01 7.746747466e+01 1.44 4.009248270e+01 6.522222354e+01 7.135932089e+01 1.46 3.605717595e+01 6.042200837e+01 6.565660801e+01 1.48 3.230551526e+01 5.590019009e+01 6.034026495e+01 1.50 2.883827841e+01 5.163168540e+01 5.539061935e+01 1.52 2.565108797e+01 4.759429575e+01 5.078768795e+01 1.54 2.273476477e+01 4.376970668e+01 4.651146465e+01 1.56 2.007628737e+01 4.014413714e+01 4.254218180e+01 1.58 1.765998193e+01 3.670842929e+01 3.886053153e+01 1.60 1.546867485e+01 3.345750780e+01 3.544784123e+01 1.62 1.348466029e+01 3.038931002e+01 3.228620377e+01 1.64 1.169043030e+01 2.750342605e+01 2.935856609e+01 1.66 1.006917511e+01 2.479974054e+01 2.664878223e+01 1.68 8.605090245e+00 2.227732474e+01 2.414163695e+01 1.70 7.283536304e+00 1.993372066e+01 2.182284649e+01 1.72 6.091094213e+00 1.776463949e+01 1.967904188e+01 1.74 5.015551379e+00 1.576400582e+01 1.769773993e+01 1.76 4.045845604e+00 1.392423479e+01 1.586730573e+01 1.78 3.171985827e+00 1.223662651e+01 1.417690978e+01 1.80 2.384962627e+00 1.069178516e+01 1.261648245e+01 1.82 1.676656703e+00 9.280001656e+00 1.117666717e+01 1.84 1.039750349e+00 7.991568565e+00 9.848774168e+00 1.86 4.676446314e-01 6.817018038e+00 8.624735166e+00 1.88 -4.561639811e-02 5.747286948e+00 7.497060062e+00 1.90 -5.054140965e-01 4.773820468e+00 6.458795718e+00 1.92 -9.166163650e-01 3.888627349e+00 5.503487162e+00 1.94 -1.283631978e+00 3.084299648e+00 4.625141277e+00 1.96 -1.610458706e+00 2.354007724e+00 3.818192949e+00 1.98 -1.900725847e+00 1.691479127e+00 3.077473649e+00 2.00 -2.157731830e+00 1.090967785e+00 2.398182290e+00 2.02 -2.384477449e+00 5.472181480e-01 1.775858310e+00 2.04 -2.583695285e+00 5.542740631e-02 1.206356766e+00 2.06 -2.757875793e+00 -3.887921053e-01 6.858253713e-01 2.08 -2.909290473e+00 -7.894490658e-01 2.106832688e-01 2.10 -3.040012498e+00 -1.150207126e+00 -2.223985340e-01 2.12 -3.151935120e+00 -1.474416332e+00 -6.165152439e-01 2.14 -3.246788124e+00 -1.765141884e+00 -9.745449698e-01 2.16 -3.326152584e+00 -2.025190278e+00 -1.299164138e+00 2.18 -3.391475015e+00 -2.257132952e+00 -1.592861750e+00 2.20 -3.444093638e+00 -2.463327615e+00 -1.857952555e+00 2.22 -3.485217629e+00 -2.645937467e+00 -2.096589260e+00 2.24 -3.515900695e+00 -2.806948480e+00 -2.310773810e+00 2.26 -3.537190584e+00 -2.948184985e+00 -2.502367876e+00 2.28 -3.550013125e+00 -3.071323684e+00 -2.673102541e+00 2.30 -3.555215185e+00 -3.177906313e+00 -2.824587321e+00 2.32 -3.553571281e+00 -3.269351061e+00 -2.958318513e+00 2.34 -3.545789610e+00 -3.346962909e+00 -3.075686972e+00 2.36 -3.532517549e+00 -3.411942991e+00 -3.177985318e+00 2.38 -3.514346680e+00 -3.465397086e+00 -3.266414653e+00 2.40 -3.491817393e+00 -3.508343316e+00 -3.342090805e+00 2.42 -3.465423090e+00 -3.541714028e+00 -3.406050138e+00 2.44 -3.435614048e+00 -3.566337636e+00 -3.459254962e+00 2.46 -3.402800954e+00 -3.583056524e+00 -3.502598577e+00 2.48 -3.367358157e+00 -3.592616300e+00 -3.536909967e+00 2.50 -3.329626645e+00 -3.595672412e+00 -3.562958179e+00 2.52 -3.289916792e+00 -3.592845170e+00 -3.581456407e+00 2.54 -3.248510871e+00 -3.584705439e+00 -3.593065795e+00 2.56 -3.205665376e+00 -3.571778432e+00 -3.598398994e+00 2.58 -3.161613152e+00 -3.554547210e+00 -3.598023473e+00 2.60 -3.116565353e+00 -3.533455894e+00 -3.592464609e+00 2.62 -3.070713252e+00 -3.508912633e+00 -3.582208579e+00 2.64 -3.024229899e+00 -3.481292340e+00 -3.567705049e+00 2.66 -2.977271652e+00 -3.450939220e+00 -3.549369694e+00 2.68 -2.929979585e+00 -3.418169101e+00 -3.527586541e+00 2.70 -2.882480783e+00 -3.383271596e+00 -3.502710166e+00 2.72 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-2.782413674e+00 3.08 -2.039529178e+00 -2.563931858e+00 -2.738950533e+00 3.10 -2.001029341e+00 -2.520550506e+00 -2.695661769e+00 3.12 -1.963230564e+00 -2.477590937e+00 -2.652599557e+00 3.14 -1.926135289e+00 -2.435083873e+00 -2.609810506e+00 3.16 -1.889744509e+00 -2.393056188e+00 -2.567336100e+00 3.18 -1.854057925e+00 -2.351531242e+00 -2.525213122e+00 3.20 -1.818181626e+00 -2.310529197e+00 -2.483474028e+00 3.22 -1.760996342e+00 -2.270067300e+00 -2.442147317e+00 3.24 -1.613018733e+00 -2.230160154e+00 -2.401257851e+00 3.26 -1.372573793e+00 -2.190819954e+00 -2.360827173e+00 3.28 -1.325359486e+00 -2.152056719e+00 -2.320873787e+00 3.30 -1.300508532e+00 -2.113878494e+00 -2.281413426e+00 3.32 -1.276171858e+00 -2.076291542e+00 -2.242459295e+00 3.34 -1.252340709e+00 -2.039300518e+00 -2.204022300e+00 3.36 -1.229005929e+00 -2.002908626e+00 -2.166111256e+00 3.38 -1.206158026e+00 -1.967117478e+00 -2.128733082e+00 3.40 -1.183787227e+00 -1.930070058e+00 -2.091892981e+00 3.42 -1.161883534e+00 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-4.801880476e-01 -1.236245554e+00 -1.492990531e+00 3.80 -4.734130554e-01 -1.216769729e+00 -1.466470667e+00 3.82 -4.667103857e-01 -1.197646567e+00 -1.440405625e+00 3.84 -4.600792632e-01 -1.178862628e+00 -1.414788173e+00 3.86 -4.535189588e-01 -1.160404327e+00 -1.389611076e+00 3.88 -4.470287876e-01 -1.142258003e+00 -1.364867119e+00 3.90 -4.406081071e-01 -1.124409989e+00 -1.340549124e+00 3.92 -4.333134689e-01 -1.104811708e+00 -1.314335286e+00 3.94 -4.130891344e-01 -1.057318316e+00 -1.256456889e+00 3.96 -3.478072294e-01 -9.085017177e-01 -1.082170539e+00 3.98 -1.933605603e-01 -5.329246293e-01 -6.402109831e-01 4.00 -1.085208938e-22 -3.050117517e-22 -3.409725208e-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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