# 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 = CuSb # 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 7.142628682e+01 7.142628682e+01 7.357411874e+01 7.357411874e+01 nan nan 0.68 nan nan nan nan 6.871946063e+01 6.871946063e+01 7.074997916e+01 7.074997916e+01 nan nan 0.70 nan nan nan nan 6.610713629e+01 6.610713629e+01 6.802540813e+01 6.802540813e+01 nan nan 0.72 nan nan nan nan 6.358498345e+01 6.358498345e+01 6.539597087e+01 6.539597087e+01 nan nan 0.74 nan nan nan nan 6.114898812e+01 6.114898812e+01 6.285753942e+01 6.285753942e+01 nan nan 0.76 nan nan nan nan 5.879542529e+01 5.879542529e+01 6.040626683e+01 6.040626683e+01 nan nan 0.78 6.574882351e+01 6.574882351e+01 nan nan 5.652083384e+01 5.652083384e+01 5.803856354e+01 5.803856354e+01 nan nan 0.80 6.266578984e+01 6.266578984e+01 nan nan 5.432199378e+01 5.432199378e+01 5.575107588e+01 5.575107588e+01 nan nan 0.82 5.971704240e+01 5.971704240e+01 nan nan 5.219590542e+01 5.219590542e+01 5.354066636e+01 5.354066636e+01 nan nan 0.84 5.689598911e+01 5.689598911e+01 1.586840987e+02 1.586840987e+02 5.013977031e+01 5.013977031e+01 5.140439575e+01 5.140439575e+01 nan nan 0.86 5.419642720e+01 5.419642720e+01 1.511667832e+02 1.511667832e+02 4.815097392e+01 4.815097392e+01 4.933950660e+01 4.933950660e+01 2.799053057e+02 2.799053057e+02 0.88 5.161251800e+01 5.161251800e+01 1.439768389e+02 1.439768389e+02 4.622706967e+01 4.622706967e+01 4.734340823e+01 4.734340823e+01 2.664918170e+02 2.664918170e+02 0.90 4.913876344e+01 4.913876344e+01 1.371005564e+02 1.371005564e+02 4.436576441e+01 4.436576441e+01 4.541366291e+01 4.541366291e+01 2.535986402e+02 2.535986402e+02 0.92 4.676998405e+01 4.676998405e+01 1.305247901e+02 1.305247901e+02 4.256490506e+01 4.256490506e+01 4.354797320e+01 4.354797320e+01 2.412099820e+02 2.412099820e+02 0.94 4.450129855e+01 4.450129855e+01 1.242369351e+02 1.242369351e+02 4.082246642e+01 4.082246642e+01 4.174417038e+01 4.174417038e+01 2.293107965e+02 2.293107965e+02 0.96 4.232810462e+01 4.232810462e+01 1.182249051e+02 1.182249051e+02 3.913653994e+01 3.913653994e+01 4.000020375e+01 4.000020375e+01 2.178866958e+02 2.178866958e+02 0.98 4.024606102e+01 4.024606102e+01 1.124771111e+02 1.124771111e+02 3.750532348e+01 3.750532348e+01 3.831413085e+01 3.831413085e+01 2.069238621e+02 2.069238621e+02 1.00 3.825107082e+01 3.825107082e+01 1.069824411e+02 1.069824411e+02 3.592711187e+01 3.592711187e+01 3.668410853e+01 3.668410853e+01 1.964089644e+02 1.964089644e+02 1.02 3.633926566e+01 3.633926566e+01 1.017302405e+02 1.017302405e+02 3.440028837e+01 3.440028837e+01 3.510838461e+01 3.510838461e+01 1.863290815e+02 1.863290815e+02 1.04 3.450699108e+01 3.450699108e+01 9.671029342e+01 9.671029342e+01 3.292331675e+01 3.292331675e+01 3.358529041e+01 3.358529041e+01 1.766716314e+02 1.766716314e+02 1.06 3.275079274e+01 3.275079274e+01 9.191280493e+01 9.191280493e+01 3.149473407e+01 3.149473407e+01 3.211323375e+01 3.211323375e+01 1.674243088e+02 1.674243088e+02 1.08 3.106740346e+01 3.106740346e+01 8.732838357e+01 8.732838357e+01 3.011314421e+01 3.011314421e+01 3.069069267e+01 3.069069267e+01 1.585750312e+02 1.585750312e+02 1.10 2.945373118e+01 2.945373118e+01 8.294802497e+01 8.294802497e+01 2.877721179e+01 2.877721179e+01 2.931620957e+01 2.931620957e+01 1.501118942e+02 1.501118942e+02 1.12 2.790684760e+01 2.790684760e+01 7.876309606e+01 7.876309606e+01 2.748565681e+01 2.748565681e+01 2.798838593e+01 2.798838593e+01 1.420231357e+02 1.420231357e+02 1.14 2.642397759e+01 2.642397759e+01 7.476531982e+01 7.476531982e+01 2.623724965e+01 2.623724965e+01 2.670587753e+01 2.670587753e+01 1.342971083e+02 1.342971083e+02 1.16 2.500248927e+01 2.500248927e+01 7.094676080e+01 7.094676080e+01 2.503080666e+01 2.503080666e+01 2.546738998e+01 2.546738998e+01 1.269222609e+02 1.269222609e+02 1.18 2.363988471e+01 2.363988471e+01 6.729981108e+01 6.729981108e+01 2.386518609e+01 2.386518609e+01 2.427167483e+01 2.427167483e+01 1.198871276e+02 1.198871276e+02 1.20 2.233379130e+01 2.233379130e+01 6.381717697e+01 6.381717697e+01 2.273928446e+01 2.273928446e+01 2.311752585e+01 2.311752585e+01 1.131803232e+02 1.131803232e+02 1.22 2.108195361e+01 2.108195361e+01 6.049186611e+01 6.049186611e+01 2.165203332e+01 2.165203332e+01 2.200377588e+01 2.200377588e+01 1.067905451e+02 1.067905451e+02 1.24 1.988222585e+01 1.988222585e+01 5.731717520e+01 5.731717520e+01 2.060239629e+01 2.060239629e+01 2.092929382e+01 2.092929382e+01 1.007065804e+02 1.007065804e+02 1.26 1.873256482e+01 1.873256482e+01 5.428667818e+01 5.428667818e+01 1.958936646e+01 1.958936646e+01 1.989298201e+01 1.989298201e+01 9.491731635e+01 9.491731635e+01 1.28 1.763102334e+01 1.763102334e+01 5.139421488e+01 5.139421488e+01 1.861196412e+01 1.861196412e+01 1.889377383e+01 1.889377383e+01 8.941175473e+01 8.941175473e+01 1.30 1.657574416e+01 1.657574416e+01 4.863388021e+01 4.863388021e+01 1.766923461e+01 1.766923461e+01 1.793063164e+01 1.793063164e+01 8.417902812e+01 8.417902812e+01 1.32 1.556495422e+01 1.556495422e+01 4.600001371e+01 4.600001371e+01 1.676024657e+01 1.676024657e+01 1.700254479e+01 1.700254479e+01 7.920841762e+01 7.920841762e+01 1.34 1.459695946e+01 1.459695946e+01 4.348718957e+01 4.348718957e+01 1.588409030e+01 1.588409030e+01 1.610852800e+01 1.610852800e+01 7.448937119e+01 7.448937119e+01 1.36 1.367013980e+01 1.367013980e+01 4.109020706e+01 4.109020706e+01 1.503987632e+01 1.503987632e+01 1.524761972e+01 1.524761972e+01 7.001152209e+01 7.001152209e+01 1.38 1.278294467e+01 1.278294467e+01 3.880408132e+01 3.880408132e+01 1.422673408e+01 1.422673408e+01 1.441888080e+01 1.441888080e+01 6.576470670e+01 6.576470670e+01 1.40 1.193388877e+01 1.193388877e+01 3.662403454e+01 3.662403454e+01 1.344381080e+01 1.344381080e+01 1.362139308e+01 1.362139308e+01 6.173898138e+01 6.173898138e+01 1.42 1.112154815e+01 1.112154815e+01 3.454548755e+01 3.454548755e+01 1.269027031e+01 1.269027031e+01 1.285425815e+01 1.285425815e+01 5.792463794e+01 5.792463794e+01 1.44 1.034455659e+01 1.034455659e+01 3.256405166e+01 3.256405166e+01 1.196529194e+01 1.196529194e+01 1.211659599e+01 1.211659599e+01 5.431221753e+01 5.431221753e+01 1.46 9.601602250e+00 9.601602250e+00 3.067552089e+01 3.067552089e+01 1.126806936e+01 1.126806936e+01 1.140754362e+01 1.140754362e+01 5.089252270e+01 5.089252270e+01 1.48 8.891424588e+00 8.891424588e+00 2.887586453e+01 2.887586453e+01 1.059780931e+01 1.059780931e+01 1.072625355e+01 1.072625355e+01 4.765662756e+01 4.765662756e+01 1.50 8.212811478e+00 8.212811478e+00 2.716121998e+01 2.716121998e+01 9.953730118e+00 9.953730118e+00 1.007189213e+01 1.007189213e+01 4.459588600e+01 4.459588600e+01 1.52 7.564596575e+00 7.564596575e+00 2.552788584e+01 2.552788584e+01 9.335060077e+00 9.335060077e+00 9.443637619e+00 9.443637619e+00 4.170193796e+01 4.170193796e+01 1.54 6.945656861e+00 6.945656861e+00 2.397231537e+01 2.397231537e+01 8.741035576e+00 8.741035576e+00 8.840678141e+00 8.840678141e+00 3.896671382e+01 3.896671382e+01 1.56 6.354910394e+00 6.354910394e+00 2.249111014e+01 2.249111014e+01 8.170899036e+00 8.170899036e+00 8.262209432e+00 8.262209432e+00 3.638243697e+01 3.638243697e+01 1.58 5.791314218e+00 5.791314218e+00 2.108101400e+01 2.108101400e+01 7.623896723e+00 7.623896723e+00 7.707432558e+00 7.707432558e+00 3.394162473e+01 3.394162473e+01 1.60 5.253862437e+00 5.253862437e+00 1.973890722e+01 1.973890722e+01 7.099276545e+00 7.099276545e+00 7.175551684e+00 7.175551684e+00 3.163708772e+01 3.163708772e+01 1.62 4.741584432e+00 4.741584432e+00 1.846180093e+01 1.846180093e+01 6.596285994e+00 6.596285994e+00 6.665772090e+00 6.665772090e+00 2.946192775e+01 2.946192775e+01 1.64 4.253543218e+00 4.253543218e+00 1.724683177e+01 1.724683177e+01 6.114170431e+00 6.114170431e+00 6.177298636e+00 6.177298636e+00 2.740953454e+01 2.740953454e+01 1.66 3.788833918e+00 3.788833918e+00 1.609125676e+01 1.609125676e+01 5.652171947e+00 5.652171947e+00 5.709334893e+00 5.709334893e+00 2.547358127e+01 2.547358127e+01 1.68 3.346582351e+00 3.346582351e+00 1.499244834e+01 1.499244834e+01 5.209529013e+00 5.209529013e+00 5.261083154e+00 5.261083154e+00 2.364801923e+01 2.364801923e+01 1.70 2.925943731e+00 2.925943731e+00 1.394788967e+01 1.394788967e+01 4.785470155e+00 4.785470155e+00 4.831713415e+00 4.831713415e+00 2.192707152e+01 2.192707152e+01 1.72 2.526101453e+00 2.526101453e+00 1.295517006e+01 1.295517006e+01 4.378911253e+00 4.378911253e+00 4.419270246e+00 4.419270246e+00 2.030522628e+01 2.030522628e+01 1.74 2.146265965e+00 2.146265965e+00 1.201198067e+01 1.201198067e+01 3.989405740e+00 3.989405740e+00 4.024356689e+00 4.024356689e+00 1.877722912e+01 1.877722912e+01 1.76 1.785673726e+00 1.785673726e+00 1.111611027e+01 1.111611027e+01 3.616587820e+00 3.616587820e+00 3.647163649e+00 3.647163649e+00 1.733807532e+01 1.733807532e+01 1.78 1.443586227e+00 1.443586227e+00 1.026544129e+01 1.026544129e+01 3.259327995e+00 3.259327995e+00 3.285751926e+00 3.285751926e+00 1.598300158e+01 1.598300158e+01 1.80 1.119289084e+00 1.119289084e+00 9.457945922e+00 9.457945922e+00 2.916899825e+00 2.916899825e+00 2.939381371e+00 2.939381371e+00 1.470747756e+01 1.470747756e+01 1.82 8.120911857e-01 8.120911857e-01 8.691682457e+00 8.691682457e+00 2.588602928e+00 2.588602928e+00 2.607342166e+00 2.607342166e+00 1.350719730e+01 1.350719730e+01 1.84 5.213238971e-01 5.213238971e-01 7.964791743e+00 7.964791743e+00 2.273770783e+00 2.273770783e+00 2.288962434e+00 2.288962434e+00 1.237807050e+01 1.237807050e+01 1.86 2.463403105e-01 2.463403105e-01 7.275493781e+00 7.275493781e+00 1.971778508e+00 1.971778508e+00 1.983615639e+00 1.983615639e+00 1.131621388e+01 1.131621388e+01 1.88 -1.348545912e-02 -1.348545912e-02 6.622084466e+00 6.622084466e+00 1.682050138e+00 1.682050138e+00 1.690727320e+00 1.690727320e+00 1.031794253e+01 1.031794253e+01 1.90 -2.587589388e-01 -2.587589388e-01 6.002932461e+00 6.002932461e+00 1.404064926e+00 1.404064926e+00 1.409780705e+00 1.409780705e+00 9.379761346e+00 9.379761346e+00 1.92 -4.900659267e-01 -4.900659267e-01 5.416476190e+00 5.416476190e+00 1.137362209e+00 1.137362209e+00 1.140320781e+00 1.140320781e+00 8.498356672e+00 8.498356672e+00 1.94 -7.079730888e-01 -7.079730888e-01 4.861220960e+00 4.861220960e+00 8.815444566e-01 8.815444566e-01 8.819564803e-01 8.819564803e-01 7.670588041e+00 7.670588041e+00 1.96 -9.130285258e-01 -9.130285258e-01 4.335736199e+00 4.335736199e+00 6.362782070e-01 6.362782070e-01 6.343607299e-01 6.343607299e-01 6.893480165e+00 6.893480165e+00 1.98 -1.105762315e+00 -1.105762315e+00 3.838652801e+00 3.838652801e+00 4.012927081e-01 4.012927081e-01 3.972682540e-01 3.972682540e-01 6.164215122e+00 6.164215122e+00 2.00 -1.286687025e+00 -1.286687025e+00 3.368660582e+00 3.368660582e+00 1.763762499e-01 1.763762499e-01 1.704711507e-01 1.704711507e-01 5.480124794e+00 5.480124794e+00 2.02 -1.456298213e+00 -1.456298213e+00 2.924505839e+00 2.924505839e+00 -3.862969374e-02 -3.862969374e-02 -4.618758547e-02 -4.618758547e-02 4.838683557e+00 4.838683557e+00 2.04 -1.615074901e+00 -1.615074901e+00 2.504989007e+00 2.504989007e+00 -2.438382404e-01 -2.438382404e-01 -2.528222861e-01 -2.528222861e-01 4.237501223e+00 4.237501223e+00 2.06 -1.763480033e+00 -1.763480033e+00 2.108962410e+00 2.108962410e+00 -4.393263881e-01 -4.393263881e-01 -4.495141538e-01 -4.495141538e-01 3.674316255e+00 3.674316255e+00 2.08 -1.901960914e+00 -1.901960914e+00 1.735328105e+00 1.735328105e+00 -6.251453220e-01 -6.251453220e-01 -6.363216243e-01 -6.363216243e-01 3.146989254e+00 3.146989254e+00 2.10 -2.030949644e+00 -2.030949644e+00 1.383035814e+00 1.383035814e+00 -8.013311812e-01 -8.013311812e-01 -8.132909995e-01 -8.132909995e-01 2.653496703e+00 2.653496703e+00 2.12 -2.150863527e+00 -2.150863527e+00 1.051080936e+00 1.051080936e+00 -9.679157188e-01 -9.679157188e-01 -9.804668069e-01 -9.804668069e-01 2.191924995e+00 2.191924995e+00 2.14 -2.262105472e+00 -2.262105472e+00 7.385026437e-01 7.385026437e-01 -1.124936321e+00 -1.124936321e+00 -1.137901385e+00 -1.137901385e+00 1.760464709e+00 1.760464709e+00 2.16 -2.365064390e+00 -2.365064390e+00 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