# 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-Sn # implementation = 2026--Park-J-H--Fe-Cu-Sn--LAMMPS--ipr1 # composition = Fe3Sn # 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 8.907183940e+02 nan nan 0.80 8.220796421e+02 nan nan 0.82 7.583600936e+02 nan nan 0.84 6.993986461e+02 9.002507304e+02 nan 0.86 6.449739365e+02 8.483674297e+02 7.936852288e+02 0.88 5.948245543e+02 7.984109491e+02 7.428920279e+02 0.90 5.486669037e+02 7.502434331e+02 6.953673485e+02 0.92 5.062096051e+02 7.037850369e+02 6.508985834e+02 0.94 4.671642523e+02 6.590125080e+02 6.092855190e+02 0.96 4.312528695e+02 6.159508991e+02 5.703401379e+02 0.98 3.982126472e+02 5.746598137e+02 5.338862738e+02 1.00 3.677985806e+02 5.352167048e+02 4.997591635e+02 1.02 3.397845818e+02 4.977001415e+02 4.678049270e+02 1.04 3.139635384e+02 4.621755884e+02 4.378800064e+02 1.06 2.901466850e+02 4.286853282e+02 4.098505823e+02 1.08 2.681625619e+02 3.972430657e+02 3.835919853e+02 1.10 2.478557533e+02 3.678328172e+02 3.589881145e+02 1.12 2.290855375e+02 3.404111062e+02 3.359308717e+02 1.14 2.117245360e+02 3.149112735e+02 3.143196173e+02 1.16 1.956574146e+02 2.912487879e+02 2.940606521e+02 1.18 1.807796679e+02 2.693266873e+02 2.750667270e+02 1.20 1.669965022e+02 2.490405692e+02 2.572565824e+02 1.22 1.542218214e+02 2.302828160e+02 2.405545163e+02 1.24 1.423773151e+02 2.129459422e+02 2.248899820e+02 1.26 1.313916442e+02 1.969250873e+02 2.101972142e+02 1.28 1.211997159e+02 1.821197519e+02 1.964148809e+02 1.30 1.117420401e+02 1.684349088e+02 1.834857621e+02 1.32 1.029641601e+02 1.557816237e+02 1.713564519e+02 1.34 9.481614815e+01 1.440773085e+02 1.599770835e+02 1.36 8.725215916e+01 1.332457125e+02 1.493010744e+02 1.38 8.023003540e+01 1.232167346e+02 1.392848921e+02 1.40 7.371095625e+01 1.139261217e+02 1.298878372e+02 1.42 6.765912724e+01 1.053151004e+02 1.210718432e+02 1.44 6.204150360e+01 9.732997767e+01 1.128012916e+02 1.46 5.682754403e+01 8.992173276e+01 1.050428418e+02 1.48 5.198899098e+01 8.304561814e+01 9.776527283e+01 1.50 4.749967411e+01 7.666077779e+01 9.093933810e+01 1.52 4.333533411e+01 7.072988974e+01 8.453763054e+01 1.54 3.947346445e+01 6.521883532e+01 7.853445810e+01 1.56 3.589316883e+01 6.009639619e+01 7.290572839e+01 1.58 3.257503255e+01 5.533397872e+01 6.762884196e+01 1.60 2.950100614e+01 5.090536444e+01 6.268259331e+01 1.62 2.665429984e+01 4.678648507e+01 5.804707924e+01 1.64 2.401928773e+01 4.295522008e+01 5.370361366e+01 1.66 2.158142041e+01 3.939121485e+01 4.963464866e+01 1.68 1.932714535e+01 3.607571753e+01 4.582370111e+01 1.70 1.724383403e+01 3.299143266e+01 4.225528448e+01 1.72 1.531971527e+01 3.012238986e+01 3.891484539e+01 1.74 1.354381396e+01 2.745382600e+01 3.578870456e+01 1.76 1.190589484e+01 2.497207936e+01 3.286400193e+01 1.78 1.039641067e+01 2.266449450e+01 3.012864537e+01 1.80 9.006454472e+00 2.051933665e+01 2.757126297e+01 1.82 7.727715449e+00 1.852571458e+01 2.518115851e+01 1.84 6.552438226e+00 1.667351104e+01 2.294826990e+01 1.86 5.473385117e+00 1.495331985e+01 2.086313039e+01 1.88 4.483801175e+00 1.335638907e+01 1.891683225e+01 1.90 3.577381772e+00 1.187456944e+01 1.710099293e+01 1.92 2.748242502e+00 1.050026765e+01 1.540772337e+01 1.94 1.990891211e+00 9.226403795e+00 1.382959827e+01 1.96 1.300201990e+00 8.046372718e+00 1.235962840e+01 1.98 6.713909805e-01 6.954008724e+00 1.099123454e+01 2.00 9.999382806e-02 5.943553369e+00 9.718223138e+00 2.02 -4.181553087e-01 5.009626022e+00 8.534763475e+00 2.04 -8.869433388e-01 4.147196873e+00 7.435366229e+00 2.06 -1.309996497e+00 3.351562049e+00 6.414863403e+00 2.08 -1.690697382e+00 2.618320251e+00 5.468389453e+00 2.10 -2.032200864e+00 1.943355534e+00 4.591363600e+00 2.12 -2.337448940e+00 1.322812965e+00 3.779473197e+00 2.14 -2.609184606e+00 7.530827913e-01 3.028658120e+00 2.16 -2.849964826e+00 2.307848864e-01 2.335096093e+00 2.18 -3.062212991e+00 -2.472469655e-01 1.695188886e+00 2.20 -3.248844537e+00 -6.839790938e-01 1.105549355e+00 2.22 -3.411848206e+00 -1.082190951e+00 5.629892324e-01 2.24 -3.550955380e+00 -1.444487168e+00 6.450766180e-02 2.26 -3.669504986e+00 -1.773308762e+00 -3.927197292e-01 2.28 -3.769166092e+00 -2.070943547e+00 -8.113646900e-01 2.30 -3.851491769e+00 -2.339535827e+00 -1.193975332e+00 2.32 -3.917926678e+00 -2.581095419e+00 -1.542793953e+00 2.34 -3.969814173e+00 -2.797506064e+00 -1.860052793e+00 2.36 -4.008402943e+00 -2.990533281e+00 -2.147865497e+00 2.38 -4.034853238e+00 -3.161831686e+00 -2.408190545e+00 2.40 -4.050242684e+00 -3.312951844e+00 -2.642869673e+00 2.42 -4.055571732e+00 -3.445346664e+00 -2.853634565e+00 2.44 -4.051768763e+00 -3.560377389e+00 -3.042113160e+00 2.46 -4.039694854e+00 -3.659319198e+00 -3.209835596e+00 2.48 -4.020148249e+00 -3.743366455e+00 -3.358239815e+00 2.50 -3.993868541e+00 -3.813637629e+00 -3.488676853e+00 2.52 -3.961540579e+00 -3.871179902e+00 -3.602415821e+00 2.54 -3.923798141e+00 -3.916973493e+00 -3.700648611e+00 2.56 -3.881227349e+00 -3.951935720e+00 -3.784494328e+00 2.58 -3.834369887e+00 -3.976924803e+00 -3.855003478e+00 2.60 -3.783725994e+00 -3.992743444e+00 -3.913161911e+00 2.62 -3.729757277e+00 -4.000142183e+00 -3.959894550e+00 2.64 -3.672889335e+00 -3.999822557e+00 -3.996068901e+00 2.66 -3.613514219e+00 -3.992440065e+00 -4.022498372e+00 2.68 -3.551992729e+00 -3.978606952e+00 -4.039945396e+00 2.70 -3.488656568e+00 -3.958894837e+00 -4.049124392e+00 2.72 -3.423810345e+00 -3.933837172e+00 -4.050704545e+00 2.74 -3.357733467e+00 -3.903931564e+00 -4.045312435e+00 2.76 -3.290681885e+00 -3.869641953e+00 -4.033534524e+00 2.78 -3.222889749e+00 -3.831400668e+00 -4.015942654e+00 2.80 -3.154570937e+00 -3.789610352e+00 -3.993253649e+00 2.82 -3.085920493e+00 -3.744645783e+00 -3.966126331e+00 2.84 -3.017115970e+00 -3.696855582e+00 -3.934086671e+00 2.86 -2.948318685e+00 -3.646563821e+00 -3.897896047e+00 2.88 -2.879674886e+00 -3.594071539e+00 -3.858119780e+00 2.90 -2.811316849e+00 -3.539658165e+00 -3.815122017e+00 2.92 -2.743363901e+00 -3.483582861e+00 -3.769242227e+00 2.94 -2.675923369e+00 -3.426085783e+00 -3.720796662e+00 2.96 -2.609091476e+00 -3.367389270e+00 -3.670079756e+00 2.98 -2.542954166e+00 -3.307698963e+00 -3.617365427e+00 3.00 -2.477587884e+00 -3.247204854e+00 -3.562908314e+00 3.02 -2.413060296e+00 -3.186082281e+00 -3.506944943e+00 3.04 -2.349430964e+00 -3.124492856e+00 -3.449694829e+00 3.06 -2.286751977e+00 -3.062585345e+00 -3.391361508e+00 3.08 -2.225068532e+00 -3.000496490e+00 -3.332133516e+00 3.10 -2.164419484e+00 -2.938351786e+00 -3.272185314e+00 3.12 -2.104837853e+00 -2.876266214e+00 -3.211678154e+00 3.14 -2.046351299e+00 -2.814344923e+00 -3.150760899e+00 3.16 -1.988982560e+00 -2.752683879e+00 -3.089570799e+00 3.18 -1.932749865e+00 -2.691370471e+00 -3.028234214e+00 3.20 -1.877487966e+00 -2.630484083e+00 -2.966867305e+00 3.22 -1.819145469e+00 -2.570096629e+00 -2.905576677e+00 3.24 -1.746259393e+00 -2.510273058e+00 -2.844459992e+00 3.26 -1.658430733e+00 -2.451071829e+00 -2.783606541e+00 3.28 -1.605654843e+00 -2.392545356e+00 -2.723097783e+00 3.30 -1.559003268e+00 -2.334740425e+00 -2.663007860e+00 3.32 -1.513465979e+00 -2.277698587e+00 -2.603404069e+00 3.34 -1.469034254e+00 -2.221456529e+00 -2.544347318e+00 3.36 -1.425697877e+00 -2.166046419e+00 -2.485892553e+00 3.38 -1.383445299e+00 -2.111496143e+00 -2.428089150e+00 3.40 -1.342263781e+00 -2.057278307e+00 -2.370981300e+00 3.42 -1.302139537e+00 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-2.568822612e-01 -1.172941445e+00 -1.448942880e+00 3.80 -2.492546858e-01 -1.140085330e+00 -1.409564459e+00 3.82 -2.418361235e-01 -1.108027325e+00 -1.371085083e+00 3.84 -2.346216462e-01 -1.076755850e+00 -1.333495604e+00 3.86 -2.276064046e-01 -1.046258946e+00 -1.296786118e+00 3.88 -2.207856289e-01 -1.016524330e+00 -1.260946042e+00 3.90 -2.141546296e-01 -9.875394392e-01 -1.225964188e+00 3.92 -2.071876497e-01 -9.577613929e-01 -1.190275128e+00 3.94 -1.933984769e-01 -9.076597700e-01 -1.133731000e+00 3.96 -1.568401223e-01 -7.807657384e-01 -9.928929523e-01 3.98 -8.099174193e-02 -4.675080964e-01 -6.182555919e-01 4.00 -6.220896589e-23 -3.749659197e-22 -3.939613501e-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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