# 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-Pb # implementation = 2026--Park-J-H--Fe-Cu-Pb--LAMMPS--ipr1 # composition = CuFe # 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 B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan 3.588369086e+02 3.588369086e+02 3.638034920e+02 3.638034920e+02 nan nan 0.68 nan nan nan nan 3.341440061e+02 3.341440061e+02 3.388292563e+02 3.388292563e+02 nan nan 0.70 nan nan nan nan 3.112163416e+02 3.112163416e+02 3.156237779e+02 3.156237779e+02 nan nan 0.72 nan nan nan nan 2.899178230e+02 2.899178230e+02 2.940530849e+02 2.940530849e+02 nan nan 0.74 nan nan nan nan 2.701237673e+02 2.701237673e+02 2.739941677e+02 2.739941677e+02 nan nan 0.76 nan nan nan nan 2.517198702e+02 2.517198702e+02 2.553340153e+02 2.553340153e+02 nan nan 0.78 3.131084874e+02 3.131084874e+02 nan nan 2.346012741e+02 2.346012741e+02 2.379687417e+02 2.379687417e+02 nan nan 0.80 2.926397971e+02 2.926397971e+02 nan nan 2.186717244e+02 2.186717244e+02 2.218027930e+02 2.218027930e+02 nan nan 0.82 2.734710217e+02 2.734710217e+02 nan nan 2.038428072e+02 2.038428072e+02 2.067482276e+02 2.067482276e+02 nan nan 0.84 2.555189496e+02 2.555189496e+02 4.342992922e+02 4.342992922e+02 1.900332575e+02 1.900332575e+02 1.927240631e+02 1.927240631e+02 nan nan 0.86 2.387058522e+02 2.387058522e+02 4.067161878e+02 4.067161878e+02 1.771683343e+02 1.771683343e+02 1.796556824e+02 1.796556824e+02 5.106748346e+02 5.106748346e+02 0.88 2.229591067e+02 2.229591067e+02 3.807800117e+02 3.807800117e+02 1.651792523e+02 1.651792523e+02 1.674742946e+02 1.674742946e+02 4.812074469e+02 4.812074469e+02 0.90 2.082108452e+02 2.082108452e+02 3.563963060e+02 3.563963060e+02 1.540026684e+02 1.540026684e+02 1.561164440e+02 1.561164440e+02 4.533275816e+02 4.533275816e+02 0.92 1.943976299e+02 1.943976299e+02 3.334758606e+02 3.334758606e+02 1.435802144e+02 1.435802144e+02 1.455235643e+02 1.455235643e+02 4.269382480e+02 4.269382480e+02 0.94 1.814601524e+02 1.814601524e+02 3.119344286e+02 3.119344286e+02 1.338580731e+02 1.338580731e+02 1.356415716e+02 1.356415716e+02 4.019473083e+02 4.019473083e+02 0.96 1.693429535e+02 1.693429535e+02 2.916924582e+02 2.916924582e+02 1.247865936e+02 1.247865936e+02 1.264204946e+02 1.264204946e+02 3.782674745e+02 3.782674745e+02 0.98 1.579941640e+02 1.579941640e+02 2.726748383e+02 2.726748383e+02 1.163199409e+02 1.163199409e+02 1.178141374e+02 1.178141374e+02 3.558163736e+02 3.558163736e+02 1.00 1.473652636e+02 1.473652636e+02 2.548106574e+02 2.548106574e+02 1.084157776e+02 1.084157776e+02 1.097797710e+02 1.097797710e+02 3.345166976e+02 3.345166976e+02 1.02 1.374108569e+02 1.374108569e+02 2.380329752e+02 2.380329752e+02 1.010349740e+02 1.010349740e+02 1.022778533e+02 1.022778533e+02 3.142964383e+02 3.142964383e+02 1.04 1.280884647e+02 1.280884647e+02 2.222786068e+02 2.222786068e+02 9.414134367e+01 9.414134367e+01 9.527177208e+01 9.527177208e+01 2.950891937e+02 2.950891937e+02 1.06 1.193583310e+02 1.193583310e+02 2.074879179e+02 2.074879179e+02 8.770140340e+01 8.770140340e+01 8.872761105e+01 8.872761105e+01 2.768345113e+02 2.768345113e+02 1.08 1.111832420e+02 1.111832420e+02 1.936046309e+02 1.936046309e+02 8.168415314e+01 8.168415314e+01 8.261393537e+01 8.261393537e+01 2.594782074e+02 2.594782074e+02 1.10 1.035283590e+02 1.035283590e+02 1.805756416e+02 1.805756416e+02 7.606087596e+01 7.606087596e+01 7.690159583e+01 7.690159583e+01 2.429725860e+02 2.429725860e+02 1.12 9.636106132e+01 9.636106132e+01 1.683508454e+02 1.683508454e+02 7.080495500e+01 7.080495500e+01 7.156354943e+01 7.156354943e+01 2.272764722e+02 2.272764722e+02 1.14 8.965080183e+01 8.965080183e+01 1.568829730e+02 1.568829730e+02 6.589170640e+01 6.589170640e+01 6.657469516e+01 6.657469516e+01 2.123549858e+02 2.123549858e+02 1.16 8.336897048e+01 8.336897048e+01 1.461274343e+02 1.461274343e+02 6.129822646e+01 6.129822646e+01 6.191172348e+01 6.191172348e+01 1.981790085e+02 1.981790085e+02 1.18 7.748876841e+01 7.748876841e+01 1.360421717e+02 1.360421717e+02 5.700325188e+01 5.700325188e+01 5.755297828e+01 5.755297828e+01 1.847243464e+02 1.847243464e+02 1.20 7.198508989e+01 7.198508989e+01 1.265875203e+02 1.265875203e+02 5.298703182e+01 5.298703182e+01 5.347833040e+01 5.347833040e+01 1.719706401e+02 1.719706401e+02 1.22 6.683441262e+01 6.683441262e+01 1.177260757e+02 1.177260757e+02 4.923121076e+01 4.923121076e+01 4.966906135e+01 4.966906135e+01 1.599001244e+02 1.599001244e+02 1.24 6.201469510e+01 6.201469510e+01 1.094225697e+02 1.094225697e+02 4.571872116e+01 4.571872116e+01 4.610775674e+01 4.610775674e+01 1.484963638e+02 1.484963638e+02 1.26 5.750528109e+01 5.750528109e+01 1.016437516e+02 1.016437516e+02 4.243368502e+01 4.243368502e+01 4.277820821e+01 4.277820821e+01 1.377430957e+02 1.377430957e+02 1.28 5.328681039e+01 5.328681039e+01 9.435827673e+01 9.435827673e+01 3.936132368e+01 3.936132368e+01 3.966532342e+01 3.966532342e+01 1.276232882e+02 1.276232882e+02 1.30 4.934113544e+01 4.934113544e+01 8.753660027e+01 8.753660027e+01 3.648787487e+01 3.648787487e+01 3.675504317e+01 3.675504317e+01 1.181184790e+02 1.181184790e+02 1.32 4.565124371e+01 4.565124371e+01 8.115087764e+01 8.115087764e+01 3.380051679e+01 3.380051679e+01 3.403426522e+01 3.403426522e+01 1.092084146e+02 1.092084146e+02 1.34 4.220118493e+01 4.220118493e+01 7.517486951e+01 7.517486951e+01 3.128729809e+01 3.128729809e+01 3.149077413e+01 3.149077413e+01 1.008709690e+02 1.008709690e+02 1.36 3.897600343e+01 3.897600343e+01 6.958385240e+01 6.958385240e+01 2.893707373e+01 2.893707373e+01 2.911317667e+01 2.911317667e+01 9.308229010e+01 9.308229010e+01 1.38 3.596167464e+01 3.596167464e+01 6.435453388e+01 6.435453388e+01 2.673944587e+01 2.673944587e+01 2.689084230e+01 2.689084230e+01 8.581710685e+01 8.581710685e+01 1.40 3.314504603e+01 3.314504603e+01 5.946497260e+01 5.946497260e+01 2.468470954e+01 2.468470954e+01 2.481384829e+01 2.481384829e+01 7.904913177e+01 7.904913177e+01 1.42 3.051378172e+01 3.051378172e+01 5.489450245e+01 5.489450245e+01 2.276380255e+01 2.276380255e+01 2.287292913e+01 2.287292913e+01 7.275149785e+01 7.275149785e+01 1.44 2.805631086e+01 2.805631086e+01 5.062366100e+01 5.062366100e+01 2.096825946e+01 2.096825946e+01 2.105942986e+01 2.105942986e+01 6.689718548e+01 6.689718548e+01 1.46 2.576177924e+01 2.576177924e+01 4.663412174e+01 4.663412174e+01 1.929016906e+01 1.929016906e+01 1.936526294e+01 1.936526294e+01 6.145940769e+01 6.145940769e+01 1.48 2.362000420e+01 2.362000420e+01 4.290863013e+01 4.290863013e+01 1.772213520e+01 1.772213520e+01 1.778286847e+01 1.778286847e+01 5.641193635e+01 5.641193635e+01 1.50 2.162143233e+01 2.162143233e+01 3.943094302e+01 3.943094302e+01 1.625724062e+01 1.625724062e+01 1.630517732e+01 1.630517732e+01 5.172936224e+01 5.172936224e+01 1.52 1.975710003e+01 1.975710003e+01 3.618577147e+01 3.618577147e+01 1.488901350e+01 1.488901350e+01 1.492557700e+01 1.492557700e+01 4.738728961e+01 4.738728961e+01 1.54 1.801859651e+01 1.801859651e+01 3.315872671e+01 3.315872671e+01 1.361139637e+01 1.361139637e+01 1.363787972e+01 1.363787972e+01 4.336247111e+01 4.336247111e+01 1.56 1.639802928e+01 1.639802928e+01 3.033626902e+01 3.033626902e+01 1.241871691e+01 1.241871691e+01 1.243629226e+01 1.243629226e+01 3.963289084e+01 3.963289084e+01 1.58 1.488799180e+01 1.488799180e+01 2.770565945e+01 2.770565945e+01 1.130566003e+01 1.130566003e+01 1.131538672e+01 1.131538672e+01 3.617780497e+01 3.617780497e+01 1.60 1.348153321e+01 1.348153321e+01 2.525491420e+01 2.525491420e+01 1.026724039e+01 1.026724039e+01 1.027007133e+01 1.027007133e+01 3.297774856e+01 3.297774856e+01 1.62 1.217213002e+01 1.217213002e+01 2.297276152e+01 2.297276152e+01 9.298774337e+00 9.298774337e+00 9.295560372e+00 9.295560372e+00 3.001451686e+01 3.001451686e+01 1.64 1.095365961e+01 1.095365961e+01 2.084860098e+01 2.084860098e+01 8.395850462e+00 8.395850462e+00 8.387342542e+00 8.387342542e+00 2.727112790e+01 2.727112790e+01 1.66 9.820375409e+00 9.820375409e+00 1.887246502e+01 1.887246502e+01 7.554298633e+00 7.554298633e+00 7.541147998e+00 7.541147998e+00 2.473177237e+01 2.473177237e+01 1.68 8.766883642e+00 8.766883642e+00 1.703498258e+01 1.703498258e+01 6.770158242e+00 6.770158242e+00 6.752915626e+00 6.752915626e+00 2.238175512e+01 2.238175512e+01 1.70 7.788121588e+00 7.788121588e+00 1.532734483e+01 1.532734483e+01 6.039648008e+00 6.039648008e+00 6.018763360e+00 6.018763360e+00 2.020743207e+01 2.020743207e+01 1.72 6.879337189e+00 6.879337189e+00 1.374127275e+01 1.374127275e+01 5.359140849e+00 5.359140849e+00 5.334965593e+00 5.334965593e+00 1.819614521e+01 1.819614521e+01 1.74 6.036069945e+00 6.036069945e+00 1.226898647e+01 1.226898647e+01 4.725148076e+00 4.725148076e+00 4.697941946e+00 4.697941946e+00 1.633615756e+01 1.633615756e+01 1.76 5.254133035e+00 5.254133035e+00 1.090317651e+01 1.090317651e+01 4.134316864e+00 4.134316864e+00 4.104260850e+00 4.104260850e+00 1.461658960e+01 1.461658960e+01 1.78 4.529596531e+00 4.529596531e+00 9.636976350e+00 9.636976350e+00 3.583443389e+00 3.583443389e+00 3.550659355e+00 3.550659355e+00 1.302735808e+01 1.302735808e+01 1.80 3.858771702e+00 3.858771702e+00 8.463936812e+00 8.463936812e+00 3.069501508e+00 3.069501508e+00 3.034077653e+00 3.034077653e+00 1.155911781e+01 1.155911781e+01 1.82 3.238196259e+00 3.238196259e+00 7.378001675e+00 7.378001675e+00 2.589683540e+00 2.589683540e+00 2.551703486e+00 2.551703486e+00 1.020320681e+01 1.020320681e+01 1.84 2.664620562e+00 2.664620562e+00 6.373484782e+00 6.373484782e+00 2.141446636e+00 2.141446636e+00 2.101018631e+00 2.101018631e+00 8.951594901e+00 8.951594901e+00 1.86 2.134994649e+00 2.134994649e+00 5.445048373e+00 5.445048373e+00 1.722555669e+00 1.722555669e+00 1.679837817e+00 1.679837817e+00 7.796835899e+00 7.796835899e+00 1.88 1.646456097e+00 1.646456097e+00 4.587682677e+00 4.587682677e+00 1.331112874e+00 1.331112874e+00 1.286330382e+00 1.286330382e+00 6.732023205e+00 6.732023205e+00 1.90 1.196318623e+00 1.196318623e+00 3.796686634e+00 3.796686634e+00 9.655655970e-01 9.655655970e-01 9.190171800e-01 9.190171800e-01 5.750748741e+00 5.750748741e+00 1.92 7.820613876e-01 7.820613876e-01 3.067649724e+00 3.067649724e+00 6.246870270e-01 6.246870270e-01 5.767394176e-01 5.767394176e-01 4.847065048e+00 4.847065048e+00 1.94 4.013189690e-01 4.013189690e-01 2.396434815e+00 2.396434815e+00 3.075297793e-01 3.075297793e-01 2.586015223e-01 2.586015223e-01 4.015450363e+00 4.015450363e+00 1.96 5.187193985e-02 5.187193985e-02 1.779161998e+00 1.779161998e+00 1.335761983e-02 1.335761983e-02 -3.610472569e-02 -3.610472569e-02 3.250776443e+00 3.250776443e+00 1.98 -2.683619630e-01 -2.683619630e-01 1.212193334e+00 1.212193334e+00 -2.584350262e-01 -2.584350262e-01 -3.079839473e-01 -3.079839473e-01 2.548278989e+00 2.548278989e+00 2.00 -5.613361442e-01 -5.613361442e-01 6.921184707e-01 6.921184707e-01 -5.084041320e-01 -5.084041320e-01 -5.576170170e-01 -5.576170170e-01 1.903530416e+00 1.903530416e+00 2.02 -8.288829304e-01 -8.288829304e-01 2.157410945e-01 2.157410945e-01 -7.371267287e-01 -7.371267287e-01 -7.856269101e-01 -7.856269101e-01 1.312414837e+00 1.312414837e+00 2.04 -1.072720894e+00 -1.072720894e+00 -2.199338634e-01 -2.199338634e-01 -9.452542329e-01 -9.452542329e-01 -9.927259065e-01 -9.927259065e-01 7.711050232e-01 7.711050232e-01 2.06 -1.294461718e+00 -1.294461718e+00 -6.177122621e-01 -6.177122621e-01 -1.135695857e+00 -1.135695857e+00 -1.181472959e+00 -1.181472959e+00 2.760412283e-01 2.760412283e-01 2.08 -1.495616649e+00 -1.495616649e+00 -9.802221151e-01 -9.802221151e-01 -1.316164542e+00 -1.316164542e+00 -1.356666225e+00 -1.356666225e+00 -1.760883175e-01 -1.760883175e-01 2.10 -1.677602562e+00 -1.677602562e+00 -1.309924284e+00 -1.309924284e+00 -1.469734812e+00 -1.469734812e+00 -1.507726518e+00 -1.507726518e+00 -5.883653627e-01 -5.883653627e-01 2.12 -1.841747657e+00 -1.841747657e+00 -1.609122564e+00 -1.609122564e+00 -1.605824722e+00 -1.605824722e+00 -1.642004907e+00 -1.642004907e+00 -9.636581879e-01 -9.636581879e-01 2.14 -1.989296805e+00 -1.989296805e+00 -1.879973179e+00 -1.879973179e+00 -1.726377173e+00 -1.726377173e+00 -1.760605860e+00 -1.760605860e+00 -1.304636865e+00 -1.304636865e+00 2.16 -2.121416583e+00 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