# 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 = FePb # 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 4.497969289e+02 4.497969289e+02 4.955790918e+02 4.955790918e+02 nan nan 0.68 nan nan nan nan 4.234035550e+02 4.234035550e+02 4.652194730e+02 4.652194730e+02 nan nan 0.70 nan nan nan nan 3.984847762e+02 3.984847762e+02 4.366838688e+02 4.366838688e+02 nan nan 0.72 nan nan nan nan 3.749603666e+02 3.749603666e+02 4.098612031e+02 4.098612031e+02 nan nan 0.74 nan nan nan nan 3.527543943e+02 3.527543943e+02 3.846474096e+02 3.846474096e+02 nan nan 0.76 nan nan nan nan 3.317949944e+02 3.317949944e+02 3.609449661e+02 3.609449661e+02 nan nan 0.78 4.892195693e+02 4.892195693e+02 nan nan 3.120141539e+02 3.120141539e+02 3.386624616e+02 3.386624616e+02 nan nan 0.80 4.601943992e+02 4.601943992e+02 nan nan 2.933475073e+02 2.933475073e+02 3.177141942e+02 3.177141942e+02 nan nan 0.82 4.328105770e+02 4.328105770e+02 nan nan 2.757341432e+02 2.757341432e+02 2.980197964e+02 2.980197964e+02 nan nan 0.84 4.069777975e+02 4.069777975e+02 6.972009648e+02 6.972009648e+02 2.591164216e+02 2.591164216e+02 2.795038876e+02 2.795038876e+02 nan nan 0.86 3.826106353e+02 3.826106353e+02 6.566765916e+02 6.566765916e+02 2.434397993e+02 2.434397993e+02 2.620957492e+02 2.620957492e+02 8.082787076e+02 8.082787076e+02 0.88 3.596282854e+02 3.596282854e+02 6.184094478e+02 6.184094478e+02 2.286526667e+02 2.286526667e+02 2.457290234e+02 2.457290234e+02 7.618216988e+02 7.618216988e+02 0.90 3.379543157e+02 3.379543157e+02 5.822771449e+02 5.822771449e+02 2.147061908e+02 2.147061908e+02 2.303414315e+02 2.303414315e+02 7.180709806e+02 7.180709806e+02 0.92 3.175164341e+02 3.175164341e+02 5.481638029e+02 5.481638029e+02 2.015541686e+02 2.015541686e+02 2.158745125e+02 2.158745125e+02 6.768574249e+02 6.768574249e+02 0.94 2.982462670e+02 2.982462670e+02 5.159597091e+02 5.159597091e+02 1.891528863e+02 1.891528863e+02 2.022733785e+02 2.022733785e+02 6.380238184e+02 6.380238184e+02 0.96 2.800791499e+02 2.800791499e+02 4.855609955e+02 4.855609955e+02 1.774609879e+02 1.774609879e+02 1.894864869e+02 1.894864869e+02 6.014239011e+02 6.014239011e+02 0.98 2.629539291e+02 2.629539291e+02 4.568693315e+02 4.568693315e+02 1.664393487e+02 1.664393487e+02 1.774654286e+02 1.774654286e+02 5.669214906e+02 5.669214906e+02 1.00 2.468127734e+02 2.468127734e+02 4.297916342e+02 4.297916342e+02 1.560509573e+02 1.560509573e+02 1.661647290e+02 1.661647290e+02 5.343896850e+02 5.343896850e+02 1.02 2.316009967e+02 2.316009967e+02 4.042397922e+02 4.042397922e+02 1.462608025e+02 1.462608025e+02 1.555416638e+02 1.555416638e+02 5.037101359e+02 5.037101359e+02 1.04 2.172668889e+02 2.172668889e+02 3.801304047e+02 3.801304047e+02 1.370357667e+02 1.370357667e+02 1.455560857e+02 1.455560857e+02 4.747723865e+02 4.747723865e+02 1.06 2.037615566e+02 2.037615566e+02 3.573845336e+02 3.573845336e+02 1.283445253e+02 1.283445253e+02 1.361702638e+02 1.361702638e+02 4.474732670e+02 4.474732670e+02 1.08 1.910387719e+02 1.910387719e+02 3.359274686e+02 3.359274686e+02 1.201574504e+02 1.201574504e+02 1.273487320e+02 1.273487320e+02 4.217163434e+02 4.217163434e+02 1.10 1.790548290e+02 1.790548290e+02 3.156885045e+02 3.156885045e+02 1.124465209e+02 1.124465209e+02 1.190581493e+02 1.190581493e+02 3.974114136e+02 3.974114136e+02 1.12 1.677684092e+02 1.677684092e+02 2.966007303e+02 2.966007303e+02 1.051852359e+02 1.051852359e+02 1.112671673e+02 1.112671673e+02 3.744740466e+02 3.744740466e+02 1.14 1.571404522e+02 1.571404522e+02 2.786008289e+02 2.786008289e+02 9.834853428e+01 9.834853428e+01 1.039463078e+02 1.039463078e+02 3.528251612e+02 3.528251612e+02 1.16 1.471340345e+02 1.471340345e+02 2.616288870e+02 2.616288870e+02 9.191271690e+01 9.191271690e+01 9.706784720e+01 9.706784720e+01 3.323906393e+02 3.323906393e+02 1.18 1.377142547e+02 1.377142547e+02 2.456282159e+02 2.456282159e+02 8.585537424e+01 8.585537424e+01 9.060570924e+01 9.060570924e+01 3.131009718e+02 3.131009718e+02 1.20 1.288481241e+02 1.288481241e+02 2.305451807e+02 2.305451807e+02 8.015531710e+01 8.015531710e+01 8.453536411e+01 8.453536411e+01 2.948909339e+02 2.948909339e+02 1.22 1.205044641e+02 1.205044641e+02 2.163290385e+02 2.163290385e+02 7.479251131e+01 7.479251131e+01 7.883373413e+01 7.883373413e+01 2.776992860e+02 2.776992860e+02 1.24 1.126538082e+02 1.126538082e+02 2.029317853e+02 2.029317853e+02 6.974801578e+01 6.974801578e+01 7.347910552e+01 7.347910552e+01 2.614684990e+02 2.614684990e+02 1.26 1.052683094e+02 1.052683094e+02 1.903080113e+02 1.903080113e+02 6.500392382e+01 6.500392382e+01 6.845104567e+01 6.845104567e+01 2.461445017e+02 2.461445017e+02 1.28 9.832165327e+01 9.832165327e+01 1.784147623e+02 1.784147623e+02 6.054330767e+01 6.054330767e+01 6.373032575e+01 6.373032575e+01 2.316764475e+02 2.316764475e+02 1.30 9.178897455e+01 9.178897455e+01 1.672114104e+02 1.672114104e+02 5.635016587e+01 5.635016587e+01 5.929884808e+01 5.929884808e+01 2.180164997e+02 2.180164997e+02 1.32 8.564677899e+01 8.564677899e+01 1.566595296e+02 1.566595296e+02 5.240937350e+01 5.240937350e+01 5.513957815e+01 5.513957815e+01 2.051196328e+02 2.051196328e+02 1.34 7.987286901e+01 7.987286901e+01 1.467227790e+02 1.467227790e+02 4.870663498e+01 4.870663498e+01 5.123648086e+01 5.123648086e+01 1.929434493e+02 1.929434493e+02 1.36 7.444627352e+01 7.444627352e+01 1.373667918e+02 1.373667918e+02 4.522843950e+01 4.522843950e+01 4.757446071e+01 4.757446071e+01 1.814480102e+02 1.814480102e+02 1.38 6.934718133e+01 6.934718133e+01 1.285590700e+02 1.285590700e+02 4.196201868e+01 4.196201868e+01 4.413930571e+01 4.413930571e+01 1.705956775e+02 1.705956775e+02 1.40 6.455687825e+01 6.455687825e+01 1.202688849e+02 1.202688849e+02 3.889530657e+01 3.889530657e+01 4.091763474e+01 4.091763474e+01 1.603509692e+02 1.603509692e+02 1.42 6.005768743e+01 6.005768743e+01 1.124671826e+02 1.124671826e+02 3.601690170e+01 3.601690170e+01 3.789684784e+01 3.789684784e+01 1.506804237e+02 1.506804237e+02 1.44 5.583291308e+01 5.583291308e+01 1.051264946e+02 1.051264946e+02 3.331603104e+01 3.331603104e+01 3.506507919e+01 3.506507919e+01 1.415524752e+02 1.415524752e+02 1.46 5.186678697e+01 5.186678697e+01 9.822085285e+01 9.822085285e+01 3.078251553e+01 3.078251553e+01 3.241115179e+01 3.241115179e+01 1.329373366e+02 1.329373366e+02 1.48 4.814441803e+01 4.814441803e+01 9.172570964e+01 9.172570964e+01 2.840673647e+01 2.840673647e+01 2.992453270e+01 2.992453270e+01 1.248068914e+02 1.248068914e+02 1.50 4.465174448e+01 4.465174448e+01 8.561786145e+01 8.561786145e+01 2.617960209e+01 2.617960209e+01 2.759528764e+01 2.759528764e+01 1.171345930e+02 1.171345930e+02 1.52 4.137548865e+01 4.137548865e+01 7.987537690e+01 7.987537690e+01 2.409251252e+01 2.409251252e+01 2.541403339e+01 2.541403339e+01 1.098953705e+02 1.098953705e+02 1.54 3.830311413e+01 3.830311413e+01 7.447752847e+01 7.447752847e+01 2.213732220e+01 2.213732220e+01 2.337188773e+01 2.337188773e+01 1.030655414e+02 1.030655414e+02 1.56 3.542278529e+01 3.542278529e+01 6.940472783e+01 6.940472783e+01 2.030629860e+01 2.030629860e+01 2.146041784e+01 2.146041784e+01 9.662272961e+01 9.662272961e+01 1.58 3.272332900e+01 3.272332900e+01 6.463846462e+01 6.463846462e+01 1.859207834e+01 1.859207834e+01 1.967159055e+01 1.967159055e+01 9.054578940e+01 9.054578940e+01 1.60 3.019419829e+01 3.019419829e+01 6.016124839e+01 6.016124839e+01 1.698762327e+01 1.698762327e+01 1.799772954e+01 1.799772954e+01 8.481473376e+01 8.481473376e+01 1.62 2.782543812e+01 2.782543812e+01 5.595655371e+01 5.595655371e+01 1.548618227e+01 1.548618227e+01 1.643148609e+01 1.643148609e+01 7.941066787e+01 7.941066787e+01 1.64 2.560765287e+01 2.560765287e+01 5.200876812e+01 5.200876812e+01 1.408126516e+01 1.408126516e+01 1.496582912e+01 1.496582912e+01 7.431572655e+01 7.431572655e+01 1.66 2.353197570e+01 2.353197570e+01 4.830314280e+01 4.830314280e+01 1.276663536e+01 1.276663536e+01 1.359405806e+01 1.359405806e+01 6.951301579e+01 6.951301579e+01 1.68 2.159003943e+01 2.159003943e+01 4.482574600e+01 4.482574600e+01 1.153632558e+01 1.153632558e+01 1.230983815e+01 1.230983815e+01 6.498655787e+01 6.498655787e+01 1.70 1.977394912e+01 1.977394912e+01 4.156341875e+01 4.156341875e+01 1.038467630e+01 1.038467630e+01 1.110725234e+01 1.110725234e+01 6.072123994e+01 6.072123994e+01 1.72 1.807625605e+01 1.807625605e+01 3.850373311e+01 3.850373311e+01 9.306391017e+00 9.306391017e+00 9.980854661e+00 9.980854661e+00 5.670276572e+01 5.670276572e+01 1.74 1.648993316e+01 1.648993316e+01 3.563495247e+01 3.563495247e+01 8.296602866e+00 8.296602866e+00 8.925741027e+00 8.925741027e+00 5.291761011e+01 5.291761011e+01 1.76 1.500835177e+01 1.500835177e+01 3.294599411e+01 3.294599411e+01 7.350929521e+00 7.350929521e+00 7.937565953e+00 7.937565953e+00 4.935297666e+01 4.935297666e+01 1.78 1.362525958e+01 1.362525958e+01 3.042639365e+01 3.042639365e+01 6.465505489e+00 6.465505489e+00 7.012533072e+00 7.012533072e+00 4.599675735e+01 4.599675735e+01 1.80 1.233475992e+01 1.233475992e+01 2.806627143e+01 2.806627143e+01 5.636987891e+00 5.636987891e+00 6.147373731e+00 6.147373731e+00 4.283749500e+01 4.283749500e+01 1.82 1.113129202e+01 1.113129202e+01 2.585630069e+01 2.585630069e+01 4.862517863e+00 4.862517863e+00 5.339266980e+00 5.339266980e+00 3.986434773e+01 3.986434773e+01 1.84 1.000961245e+01 1.000961245e+01 2.378767746e+01 2.378767746e+01 4.139646702e+00 4.139646702e+00 4.585739195e+00 4.585739195e+00 3.706705547e+01 3.706705547e+01 1.86 8.964777499e+00 8.964777499e+00 2.185209200e+01 2.185209200e+01 3.466235772e+00 3.466235772e+00 3.884551961e+00 3.884551961e+00 3.443590854e+01 3.443590854e+01 1.88 7.992126553e+00 7.992126553e+00 2.004170186e+01 2.004170186e+01 2.840345778e+00 2.840345778e+00 3.233594226e+00 3.233594226e+00 3.196171789e+01 3.196171789e+01 1.90 7.087266362e+00 7.087266362e+00 1.834910628e+01 1.834910628e+01 2.260132008e+00 2.260132008e+00 2.630792352e+00 2.630792352e+00 2.963578708e+01 2.963578708e+01 1.92 6.246056168e+00 6.246056168e+00 1.676732204e+01 1.676732204e+01 1.723759186e+00 1.723759186e+00 2.074046556e+00 2.074046556e+00 2.744988587e+01 2.744988587e+01 1.94 5.464593649e+00 5.464593649e+00 1.528976060e+01 1.528976060e+01 1.229343880e+00 1.229343880e+00 1.561196297e+00 1.561196297e+00 2.539622527e+01 2.539622527e+01 1.96 4.739201611e+00 4.739201611e+00 1.391020637e+01 1.391020637e+01 7.749261351e-01 7.749261351e-01 1.090011936e+00 1.090011936e+00 2.346743393e+01 2.346743393e+01 1.98 4.066415439e+00 4.066415439e+00 1.262279631e+01 1.262279631e+01 3.584667728e-01 3.584667728e-01 6.582066997e-01 6.582066997e-01 2.165653594e+01 2.165653594e+01 2.00 3.442971199e+00 3.442971199e+00 1.142200047e+01 1.142200047e+01 -2.213628449e-02 -2.213628449e-02 2.634616196e-01 2.634616196e-01 1.995692975e+01 1.995692975e+01 2.02 2.865794419e+00 2.865794419e+00 1.030260370e+01 1.030260370e+01 -3.690202426e-01 -3.690202426e-01 -9.654345904e-02 -9.654345904e-02 1.836236833e+01 1.836236833e+01 2.04 2.331989465e+00 2.331989465e+00 9.259688245e+00 9.259688245e+00 -6.843251130e-01 -6.843251130e-01 -4.240983218e-01 -4.240983218e-01 1.686694033e+01 1.686694033e+01 2.06 1.838829515e+00 1.838829515e+00 8.288617349e+00 8.288617349e+00 -9.701620541e-01 -9.701620541e-01 -7.214340434e-01 -7.214340434e-01 1.546505232e+01 1.546505232e+01 2.08 1.383747071e+00 1.383747071e+00 7.385019721e+00 7.385019721e+00 -1.228585773e+00 -1.228585773e+00 -9.906999202e-01 -9.906999202e-01 1.415141198e+01 1.415141198e+01 2.10 9.643249948e-01 9.643249948e-01 6.544774835e+00 6.544774835e+00 -1.461572657e+00 -1.461572657e+00 -1.233946430e+00 -1.233946430e+00 1.292101216e+01 1.292101216e+01 2.12 5.782880441e-01 5.782880441e-01 5.763999029e+00 5.763999029e+00 -1.671005069e+00 -1.671005069e+00 -1.453114023e+00 -1.453114023e+00 1.176911586e+01 1.176911586e+01 2.14 2.234948625e-01 2.234948625e-01 5.039032361e+00 5.039032361e+00 -1.858661401e+00 -1.858661401e+00 -1.650027054e+00 -1.650027054e+00 1.069124191e+01 1.069124191e+01 2.16 -1.020695789e-01 -1.020695789e-01 4.366426172e+00 4.366426172e+00 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