# 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 = CuPb # 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 8.454321402e+02 8.454321402e+02 8.420173694e+02 8.420173694e+02 nan nan 0.68 nan nan nan nan 7.893797814e+02 7.893797814e+02 7.869020439e+02 7.869020439e+02 nan nan 0.70 nan nan nan nan 7.372663007e+02 7.372663007e+02 7.355758515e+02 7.355758515e+02 nan nan 0.72 nan nan nan nan 6.887933525e+02 6.887933525e+02 6.877598980e+02 6.877598980e+02 nan nan 0.74 nan nan nan nan 6.436866565e+02 6.436866565e+02 6.431971158e+02 6.431971158e+02 nan nan 0.76 nan nan nan nan 6.016939815e+02 6.016939815e+02 6.016504854e+02 6.016504854e+02 nan nan 0.78 7.724354323e+02 7.724354323e+02 nan nan 5.625833004e+02 5.625833004e+02 5.629014032e+02 5.629014032e+02 nan nan 0.80 7.269802430e+02 7.269802430e+02 nan nan 5.261411029e+02 5.261411029e+02 5.267481865e+02 5.267481865e+02 nan nan 0.82 6.841942735e+02 6.841942735e+02 nan nan 4.921708505e+02 4.921708505e+02 4.930047012e+02 4.930047012e+02 nan nan 0.84 6.439164996e+02 6.439164996e+02 7.868775798e+02 7.868775798e+02 4.604915640e+02 4.604915640e+02 4.614991047e+02 4.614991047e+02 nan nan 0.86 6.059960646e+02 6.059960646e+02 7.436893377e+02 7.436893377e+02 4.309365303e+02 4.309365303e+02 4.320726922e+02 4.320726922e+02 8.148092514e+02 8.148092514e+02 0.88 5.702916033e+02 5.702916033e+02 7.027619198e+02 7.027619198e+02 4.033521196e+02 4.033521196e+02 4.045788390e+02 4.045788390e+02 7.698302920e+02 7.698302920e+02 0.90 5.366706124e+02 5.366706124e+02 6.639811831e+02 6.639811831e+02 3.775967029e+02 3.775967029e+02 3.788820303e+02 3.788820303e+02 7.272180361e+02 7.272180361e+02 0.92 5.050088655e+02 5.050088655e+02 6.272385724e+02 6.272385724e+02 3.535396614e+02 3.535396614e+02 3.548569715e+02 3.548569715e+02 6.868526251e+02 6.868526251e+02 0.94 4.751898676e+02 4.751898676e+02 5.924308536e+02 5.924308536e+02 3.310604801e+02 3.310604801e+02 3.323877719e+02 3.323877719e+02 6.486200693e+02 6.486200693e+02 0.96 4.471043484e+02 4.471043484e+02 5.594598605e+02 5.594598605e+02 3.100479179e+02 3.100479179e+02 3.113671956e+02 3.113671956e+02 6.124119698e+02 6.124119698e+02 0.98 4.206497898e+02 4.206497898e+02 5.282322521e+02 5.282322521e+02 2.903992489e+02 2.903992489e+02 2.916959746e+02 2.916959746e+02 5.781252519e+02 5.781252519e+02 1.00 3.957299858e+02 3.957299858e+02 4.986592825e+02 4.986592825e+02 2.720195667e+02 2.720195667e+02 2.732821783e+02 2.732821783e+02 5.456619114e+02 5.456619114e+02 1.02 3.722546334e+02 3.722546334e+02 4.706565806e+02 4.706565806e+02 2.548211489e+02 2.548211489e+02 2.560406349e+02 2.560406349e+02 5.149287728e+02 5.149287728e+02 1.04 3.501389501e+02 3.501389501e+02 4.441439408e+02 4.441439408e+02 2.387228739e+02 2.387228739e+02 2.398924003e+02 2.398924003e+02 4.858372580e+02 4.858372580e+02 1.06 3.293033190e+02 3.293033190e+02 4.190451224e+02 4.190451224e+02 2.236496884e+02 2.236496884e+02 2.247642705e+02 2.247642705e+02 4.583031669e+02 4.583031669e+02 1.08 3.096729567e+02 3.096729567e+02 3.952876600e+02 3.952876600e+02 2.095321184e+02 2.095321184e+02 2.105883340e+02 2.105883340e+02 4.322464672e+02 4.322464672e+02 1.10 2.911776046e+02 2.911776046e+02 3.728026811e+02 3.728026811e+02 1.963058224e+02 1.963058224e+02 1.973015609e+02 1.973015609e+02 4.075910946e+02 4.075910946e+02 1.12 2.737512403e+02 2.737512403e+02 3.515247334e+02 3.515247334e+02 1.839111814e+02 1.839111814e+02 1.848454252e+02 1.848454252e+02 3.842647621e+02 3.842647621e+02 1.14 2.573318093e+02 2.573318093e+02 3.313916201e+02 3.313916201e+02 1.722929239e+02 1.722929239e+02 1.731655582e+02 1.731655582e+02 3.621987787e+02 3.621987787e+02 1.16 2.418609735e+02 2.418609735e+02 3.123442421e+02 3.123442421e+02 1.613997815e+02 1.613997815e+02 1.622114294e+02 1.622114294e+02 3.413278756e+02 3.413278756e+02 1.18 2.272838778e+02 2.272838778e+02 2.943264485e+02 2.943264485e+02 1.511841744e+02 1.511841744e+02 1.519360544e+02 1.519360544e+02 3.215900415e+02 3.215900415e+02 1.20 2.135489314e+02 2.135489314e+02 2.772848940e+02 2.772848940e+02 1.416019219e+02 1.416019219e+02 1.422957250e+02 1.422957250e+02 3.029263652e+02 3.029263652e+02 1.22 2.006076037e+02 2.006076037e+02 2.611689025e+02 2.611689025e+02 1.326119776e+02 1.326119776e+02 1.332497620e+02 1.332497620e+02 2.852808858e+02 2.852808858e+02 1.24 1.884142338e+02 1.884142338e+02 2.459303381e+02 2.459303381e+02 1.241761868e+02 1.241761868e+02 1.247602879e+02 1.247602879e+02 2.686004497e+02 2.686004497e+02 1.26 1.769258531e+02 1.769258531e+02 2.315234810e+02 2.315234810e+02 1.162590633e+02 1.162590633e+02 1.167920166e+02 1.167920166e+02 2.528345746e+02 2.528345746e+02 1.28 1.661020184e+02 1.661020184e+02 2.179049101e+02 2.179049101e+02 1.088275850e+02 1.088275850e+02 1.093120619e+02 1.093120619e+02 2.379353196e+02 2.379353196e+02 1.30 1.559046567e+02 1.559046567e+02 2.050333911e+02 2.050333911e+02 1.018510062e+02 1.018510062e+02 1.022897590e+02 1.022897590e+02 2.238571616e+02 2.238571616e+02 1.32 1.462979203e+02 1.462979203e+02 1.928697696e+02 1.928697696e+02 9.530068527e+01 9.530068527e+01 9.569650204e+01 9.569650204e+01 2.105568778e+02 2.105568778e+02 1.34 1.372480505e+02 1.372480505e+02 1.813768696e+02 1.813768696e+02 8.914992649e+01 8.914992649e+01 8.950559335e+01 8.950559335e+01 1.979934332e+02 1.979934332e+02 1.36 1.287232508e+02 1.287232508e+02 1.705193964e+02 1.705193964e+02 8.337383456e+01 8.337383456e+01 8.369210483e+01 8.369210483e+01 1.861278738e+02 1.861278738e+02 1.38 1.206935678e+02 1.206935678e+02 1.602638446e+02 1.602638446e+02 7.794918094e+01 7.794918094e+01 7.823275037e+01 7.823275037e+01 1.749232249e+02 1.749232249e+02 1.40 1.131307805e+02 1.131307805e+02 1.505784101e+02 1.505784101e+02 7.285428108e+01 7.285428108e+01 7.310576800e+01 7.310576800e+01 1.643443940e+02 1.643443940e+02 1.42 1.060082952e+02 1.060082952e+02 1.414329067e+02 1.414329067e+02 6.806888136e+01 6.806888136e+01 6.829081135e+01 6.829081135e+01 1.543580784e+02 1.543580784e+02 1.44 9.930104914e+01 9.930104914e+01 1.327986861e+02 1.327986861e+02 6.357405512e+01 6.357405512e+01 6.376884936e+01 6.376884936e+01 1.449326771e+02 1.449326771e+02 1.46 9.298541805e+01 9.298541805e+01 1.246485625e+02 1.246485625e+02 5.935210694e+01 5.935210694e+01 5.952207383e+01 5.952207383e+01 1.360382073e+02 1.360382073e+02 1.48 8.703913132e+01 8.703913132e+01 1.169567401e+02 1.169567401e+02 5.538648454e+01 5.538648454e+01 5.553381396e+01 5.553381396e+01 1.276462242e+02 1.276462242e+02 1.50 8.144119145e+01 8.144119145e+01 1.096987443e+02 1.096987443e+02 5.166169751e+01 5.166169751e+01 5.178845742e+01 5.178845742e+01 1.197297452e+02 1.197297452e+02 1.52 7.617179896e+01 7.617179896e+01 1.028513566e+02 1.028513566e+02 4.816324247e+01 4.816324247e+01 4.827137743e+01 4.827137743e+01 1.122631777e+02 1.122631777e+02 1.54 7.121228185e+01 7.121228185e+01 9.639255199e+01 9.639255199e+01 4.487753403e+01 4.487753403e+01 4.496886529e+01 4.496886529e+01 1.052222498e+02 1.052222498e+02 1.56 6.654502949e+01 6.654502949e+01 9.030143985e+01 9.030143985e+01 4.179184107e+01 4.179184107e+01 4.186806795e+01 4.186806795e+01 9.858394466e+01 9.858394466e+01 1.58 6.215343055e+01 6.215343055e+01 8.455820741e+01 8.455820741e+01 3.889422794e+01 3.889422794e+01 3.895693030e+01 3.895693030e+01 9.232643859e+01 9.232643859e+01 1.60 5.802181479e+01 5.802181479e+01 7.914406606e+01 7.914406606e+01 3.617350010e+01 3.617350010e+01 3.622414166e+01 3.622414166e+01 8.642904101e+01 8.642904101e+01 1.62 5.413539838e+01 5.413539838e+01 7.404120029e+01 7.404120029e+01 3.361915394e+01 3.361915394e+01 3.365908624e+01 3.365908624e+01 8.087213809e+01 8.087213809e+01 1.64 5.048023257e+01 5.048023257e+01 6.923271898e+01 6.923271898e+01 3.122133031e+01 3.122133031e+01 3.125179718e+01 3.125179718e+01 7.563713881e+01 7.563713881e+01 1.66 4.704315552e+01 4.704315552e+01 6.470260917e+01 6.470260917e+01 2.897077160e+01 2.897077160e+01 2.899291398e+01 2.899291398e+01 7.070642372e+01 7.070642372e+01 1.68 4.381174696e+01 4.381174696e+01 6.043569201e+01 6.043569201e+01 2.685878188e+01 2.685878188e+01 2.687364297e+01 2.687364297e+01 6.606329608e+01 6.606329608e+01 1.70 4.077428562e+01 4.077428562e+01 5.641758084e+01 5.641758084e+01 2.487719014e+01 2.487719014e+01 2.488572060e+01 2.488572060e+01 6.169193547e+01 6.169193547e+01 1.72 3.791970928e+01 3.791970928e+01 5.263464137e+01 5.263464137e+01 2.301831607e+01 2.301831607e+01 2.302137937e+01 2.302137937e+01 5.757735359e+01 5.757735359e+01 1.74 3.523757711e+01 3.523757711e+01 4.907395371e+01 4.907395371e+01 2.127493837e+01 2.127493837e+01 2.127331614e+01 2.127331614e+01 5.370535221e+01 5.370535221e+01 1.76 3.271803429e+01 3.271803429e+01 4.572327639e+01 4.572327639e+01 1.964026536e+01 1.964026536e+01 1.963466267e+01 1.963466267e+01 5.006248317e+01 5.006248317e+01 1.78 3.035177873e+01 3.035177873e+01 4.257101197e+01 4.257101197e+01 1.810790767e+01 1.810790767e+01 1.809895820e+01 1.809895820e+01 4.663601034e+01 4.663601034e+01 1.80 2.813002979e+01 2.813002979e+01 3.960617448e+01 3.960617448e+01 1.667185284e+01 1.667185284e+01 1.666012398e+01 1.666012398e+01 4.341387344e+01 4.341387344e+01 1.82 2.604449875e+01 2.604449875e+01 3.681835834e+01 3.681835834e+01 1.532644170e+01 1.532644170e+01 1.531243944e+01 1.531243944e+01 4.038465360e+01 4.038465360e+01 1.84 2.408736114e+01 2.408736114e+01 3.419770892e+01 3.419770892e+01 1.406634647e+01 1.406634647e+01 1.405052008e+01 1.405052008e+01 3.753754065e+01 3.753754065e+01 1.86 2.225123052e+01 2.225123052e+01 3.173489443e+01 3.173489443e+01 1.288655020e+01 1.288655020e+01 1.286929682e+01 1.286929682e+01 3.486230198e+01 3.486230198e+01 1.88 2.052913396e+01 2.052913396e+01 2.942107931e+01 2.942107931e+01 1.178232782e+01 1.178232782e+01 1.176399671e+01 1.176399671e+01 3.234925296e+01 3.234925296e+01 1.90 1.891448884e+01 1.891448884e+01 2.724789880e+01 2.724789880e+01 1.074922832e+01 1.074922832e+01 1.073012497e+01 1.073012497e+01 2.998922877e+01 2.998922877e+01 1.92 1.740108095e+01 1.740108095e+01 2.520743490e+01 2.520743490e+01 9.783058159e+00 9.783058159e+00 9.763448146e+00 9.763448146e+00 2.777355770e+01 2.777355770e+01 1.94 1.598304402e+01 1.598304402e+01 2.329219344e+01 2.329219344e+01 8.879865834e+00 8.879865834e+00 8.859978467e+00 8.859978467e+00 2.569403567e+01 2.569403567e+01 1.96 1.465484020e+01 1.465484020e+01 2.149508228e+01 2.149508228e+01 8.035927397e+00 8.035927397e+00 8.015959127e+00 8.015959127e+00 2.374290213e+01 2.374290213e+01 1.98 1.341124187e+01 1.341124187e+01 1.980939064e+01 1.980939064e+01 7.247732957e+00 7.247732957e+00 7.227850569e+00 7.227850569e+00 2.191281703e+01 2.191281703e+01 2.00 1.224731431e+01 1.224731431e+01 1.822876943e+01 1.822876943e+01 6.511974034e+00 6.511974034e+00 6.492317628e+00 6.492317628e+00 2.019683905e+01 2.019683905e+01 2.02 1.115839949e+01 1.115839949e+01 1.674721254e+01 1.674721254e+01 5.825531747e+00 5.825531747e+00 5.806217499e+00 5.806217499e+00 1.858840483e+01 1.858840483e+01 2.04 1.014010067e+01 1.014010067e+01 1.535903909e+01 1.535903909e+01 5.185460586e+00 5.185460586e+00 5.166578218e+00 5.166578218e+00 1.708130929e+01 1.708130929e+01 2.06 9.188267978e+00 9.188267978e+00 1.405887660e+01 1.405887660e+01 4.578343527e+00 4.578343527e+00 4.561505621e+00 4.561505621e+00 1.566968689e+01 1.566968689e+01 2.08 8.298984687e+00 8.298984687e+00 1.284164488e+01 1.284164488e+01 3.964779813e+00 3.964779813e+00 3.962009296e+00 3.962009296e+00 1.434799392e+01 1.434799392e+01 2.10 7.468554356e+00 7.468554356e+00 1.170254089e+01 1.170254089e+01 3.448204220e+00 3.448204220e+00 3.447459327e+00 3.447459327e+00 1.311099152e+01 1.311099152e+01 2.12 6.693488642e+00 6.693488642e+00 1.063702420e+01 1.063702420e+01 2.983535819e+00 2.983535819e+00 2.979223097e+00 2.979223097e+00 1.195372973e+01 1.195372973e+01 2.14 5.970495799e+00 5.970495799e+00 9.640803341e+00 9.640803341e+00 2.551556832e+00 2.551556832e+00 2.544048851e+00 2.544048851e+00 1.087153224e+01 1.087153224e+01 2.16 5.296469836e+00 5.296469836e+00 8.709822681e+00 8.709822681e+00 2.150295677e+00 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