# 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-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = BiFe # 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 3.113336743e+02 3.113336743e+02 3.271946226e+02 3.271946226e+02 nan nan 0.68 nan nan nan nan 2.945002933e+02 2.945002933e+02 3.090633044e+02 3.090633044e+02 nan nan 0.70 nan nan nan nan 2.785359170e+02 2.785359170e+02 2.919052142e+02 2.919052142e+02 nan nan 0.72 nan nan nan nan 2.633962007e+02 2.633962007e+02 2.756678847e+02 2.756678847e+02 nan nan 0.74 nan nan nan nan 2.490391052e+02 2.490391052e+02 2.603017656e+02 2.603017656e+02 nan nan 0.76 nan nan nan nan 2.354247713e+02 2.354247713e+02 2.457600536e+02 2.457600536e+02 nan nan 0.78 2.971096314e+02 2.971096314e+02 nan nan 2.225154007e+02 2.225154007e+02 2.319985315e+02 2.319985315e+02 nan nan 0.80 2.806771138e+02 2.806771138e+02 nan nan 2.102751443e+02 2.102751443e+02 2.189754191e+02 2.189754191e+02 nan nan 0.82 2.650913012e+02 2.650913012e+02 nan nan 1.986699972e+02 1.986699972e+02 2.066512317e+02 2.066512317e+02 nan nan 0.84 2.503105958e+02 2.503105958e+02 4.490773419e+02 4.490773419e+02 1.876676997e+02 1.876676997e+02 1.949886483e+02 1.949886483e+02 nan nan 0.86 2.362953698e+02 2.362953698e+02 4.252507153e+02 4.252507153e+02 1.772376435e+02 1.772376435e+02 1.839523870e+02 1.839523870e+02 5.367861631e+02 5.367861631e+02 0.88 2.230078750e+02 2.230078750e+02 4.026162382e+02 4.026162382e+02 1.673507840e+02 1.673507840e+02 1.735090888e+02 1.735090888e+02 5.037551749e+02 5.037551749e+02 0.90 2.104121559e+02 2.104121559e+02 3.811167108e+02 3.811167108e+02 1.579795575e+02 1.579795575e+02 1.636272077e+02 1.636272077e+02 4.723524674e+02 4.723524674e+02 0.92 1.984739671e+02 1.984739671e+02 3.606975836e+02 3.606975836e+02 1.490978025e+02 1.490978025e+02 1.542769081e+02 1.542769081e+02 4.425762121e+02 4.425762121e+02 0.94 1.871606943e+02 1.871606943e+02 3.413068382e+02 3.413068382e+02 1.406806862e+02 1.406806862e+02 1.454299677e+02 1.454299677e+02 4.144217371e+02 4.144217371e+02 0.96 1.764412789e+02 1.764412789e+02 3.228948733e+02 3.228948733e+02 1.327046347e+02 1.327046347e+02 1.370596868e+02 1.370596868e+02 3.878758140e+02 3.878758140e+02 0.98 1.662861460e+02 1.662861460e+02 3.054143961e+02 3.054143961e+02 1.251472673e+02 1.251472673e+02 1.291408027e+02 1.291408027e+02 3.629132261e+02 3.629132261e+02 1.00 1.566671354e+02 1.566671354e+02 2.888203178e+02 2.888203178e+02 1.179873342e+02 1.179873342e+02 1.216494091e+02 1.216494091e+02 3.394955668e+02 3.394955668e+02 1.02 1.475574367e+02 1.475574367e+02 2.730696542e+02 2.730696542e+02 1.112046579e+02 1.112046579e+02 1.145628806e+02 1.145628806e+02 3.175718670e+02 3.175718670e+02 1.04 1.389315258e+02 1.389315258e+02 2.581214307e+02 2.581214307e+02 1.047800778e+02 1.047800778e+02 1.078598016e+02 1.078598016e+02 2.970804785e+02 2.970804785e+02 1.06 1.307651057e+02 1.307651057e+02 2.439365910e+02 2.439365910e+02 9.869539783e+01 9.869539783e+01 1.015198989e+02 1.015198989e+02 2.779516329e+02 2.779516329e+02 1.08 1.230350492e+02 1.230350492e+02 2.304779103e+02 2.304779103e+02 9.293333658e+01 9.293333658e+01 9.552397886e+01 9.552397886e+01 2.601101923e+02 2.601101923e+02 1.10 1.157193443e+02 1.157193443e+02 2.177099122e+02 2.177099122e+02 8.747748085e+01 8.747748085e+01 8.985386805e+01 8.985386805e+01 2.434782463e+02 2.434782463e+02 1.12 1.087970426e+02 1.087970426e+02 2.055987888e+02 2.055987888e+02 8.231224100e+01 8.231224100e+01 8.449235697e+01 8.449235697e+01 2.279773507e+02 2.279773507e+02 1.14 1.022482090e+02 1.022482090e+02 1.941123255e+02 1.941123255e+02 7.742280917e+01 7.742280917e+01 7.942314755e+01 7.942314755e+01 2.135303186e+02 2.135303186e+02 1.16 9.605387499e+01 9.605387499e+01 1.832198276e+02 1.832198276e+02 7.279511945e+01 7.279511945e+01 7.463080336e+01 7.463080336e+01 2.000625562e+02 2.000625562e+02 1.18 9.019599302e+01 9.019599302e+01 1.728920513e+02 1.728920513e+02 6.841581032e+01 6.841581032e+01 7.010070280e+01 7.010070280e+01 1.875029841e+02 1.875029841e+02 1.20 8.465739344e+01 8.465739344e+01 1.631011375e+02 1.631011375e+02 6.427218908e+01 6.427218908e+01 6.581899491e+01 6.581899491e+01 1.757846091e+02 1.757846091e+02 1.22 7.942174329e+01 7.942174329e+01 1.538205479e+02 1.538205479e+02 6.035219805e+01 6.035219805e+01 6.177255772e+01 6.177255772e+01 1.648448191e+02 1.648448191e+02 1.24 7.447350703e+01 7.447350703e+01 1.450250052e+02 1.450250052e+02 5.664438267e+01 5.664438267e+01 5.794895900e+01 5.794895900e+01 1.546254698e+02 1.546254698e+02 1.26 6.979790895e+01 6.979790895e+01 1.366904346e+02 1.366904346e+02 5.313786117e+01 5.313786117e+01 5.433641910e+01 5.433641910e+01 1.450728207e+02 1.450728207e+02 1.28 6.538089747e+01 6.538089747e+01 1.287939087e+02 1.287939087e+02 4.982229587e+01 4.982229587e+01 5.092377610e+01 5.092377610e+01 1.361373709e+02 1.361373709e+02 1.30 6.120911084e+01 6.120911084e+01 1.213135947e+02 1.213135947e+02 4.668786600e+01 4.668786600e+01 4.770045267e+01 4.770045267e+01 1.277736308e+02 1.277736308e+02 1.32 5.726984468e+01 5.726984468e+01 1.142287042e+02 1.142287042e+02 4.372524183e+01 4.372524183e+01 4.465642497e+01 4.465642497e+01 1.199398587e+02 1.199398587e+02 1.34 5.355102079e+01 5.355102079e+01 1.075194445e+02 1.075194445e+02 4.092556020e+01 4.092556020e+01 4.178219318e+01 4.178219318e+01 1.125977815e+02 1.125977815e+02 1.36 5.004115750e+01 5.004115750e+01 1.011669729e+02 1.011669729e+02 3.828040133e+01 3.828040133e+01 3.906875371e+01 3.906875371e+01 1.057123158e+02 1.057123158e+02 1.38 4.672934138e+01 4.672934138e+01 9.515335253e+01 9.515335253e+01 3.578176671e+01 3.578176671e+01 3.650757293e+01 3.650757293e+01 9.925129531e+01 9.925129531e+01 1.40 4.360520019e+01 4.360520019e+01 8.946151062e+01 8.946151062e+01 3.342205825e+01 3.342205825e+01 3.409056235e+01 3.409056235e+01 9.318521381e+01 9.318521381e+01 1.42 4.065887715e+01 4.065887715e+01 8.407519801e+01 8.407519801e+01 3.119405838e+01 3.119405838e+01 3.181005514e+01 3.181005514e+01 8.748698422e+01 8.748698422e+01 1.44 3.788100635e+01 3.788100635e+01 7.897895108e+01 7.897895108e+01 2.909091121e+01 2.909091121e+01 2.965878399e+01 2.965878399e+01 8.213171680e+01 8.213171680e+01 1.46 3.526268931e+01 3.526268931e+01 7.415805507e+01 7.415805507e+01 2.710610463e+01 2.710610463e+01 2.762986011e+01 2.762986011e+01 7.709651623e+01 7.709651623e+01 1.48 3.279547262e+01 3.279547262e+01 6.959850916e+01 6.959850916e+01 2.523345331e+01 2.523345331e+01 2.571675343e+01 2.571675343e+01 7.236029705e+01 7.236029705e+01 1.50 3.047132660e+01 3.047132660e+01 6.528699312e+01 6.528699312e+01 2.346708254e+01 2.346708254e+01 2.391327380e+01 2.391327380e+01 6.790361674e+01 6.790361674e+01 1.52 2.828262500e+01 2.828262500e+01 6.121083542e+01 6.121083542e+01 2.180141293e+01 2.180141293e+01 2.221355330e+01 2.221355330e+01 6.370852504e+01 6.370852504e+01 1.54 2.622212557e+01 2.622212557e+01 5.735798286e+01 5.735798286e+01 2.023114579e+01 2.023114579e+01 2.061202942e+01 2.061202942e+01 5.975842825e+01 5.975842825e+01 1.56 2.428295156e+01 2.428295156e+01 5.371697152e+01 5.371697152e+01 1.875124930e+01 1.875124930e+01 1.910342916e+01 1.910342916e+01 5.603796719e+01 5.603796719e+01 1.58 2.245857413e+01 2.245857413e+01 5.027689905e+01 5.027689905e+01 1.735694534e+01 1.735694534e+01 1.768275403e+01 1.768275403e+01 5.253290746e+01 5.253290746e+01 1.60 2.074279551e+01 2.074279551e+01 4.702739819e+01 4.702739819e+01 1.604369703e+01 1.604369703e+01 1.634526575e+01 1.634526575e+01 4.923004078e+01 4.923004078e+01 1.62 1.912973294e+01 1.912973294e+01 4.395861159e+01 4.395861159e+01 1.480719675e+01 1.480719675e+01 1.508647283e+01 1.508647283e+01 4.611709624e+01 4.611709624e+01 1.64 1.761380345e+01 1.761380345e+01 4.106116762e+01 4.106116762e+01 1.364335492e+01 1.364335492e+01 1.390211778e+01 1.390211778e+01 4.318266043e+01 4.318266043e+01 1.66 1.618970923e+01 1.618970923e+01 3.832615746e+01 3.832615746e+01 1.254828922e+01 1.254828922e+01 1.278816499e+01 1.278816499e+01 4.041610549e+01 4.041610549e+01 1.68 1.485242380e+01 1.485242380e+01 3.574511311e+01 3.574511311e+01 1.151831436e+01 1.151831436e+01 1.174078931e+01 1.174078931e+01 3.780752420e+01 3.780752420e+01 1.70 1.359717873e+01 1.359717873e+01 3.330998644e+01 3.330998644e+01 1.054993240e+01 1.054993240e+01 1.075636515e+01 1.075636515e+01 3.534767140e+01 3.534767140e+01 1.72 1.241945105e+01 1.241945105e+01 3.101312924e+01 3.101312924e+01 9.639823423e+00 9.639823423e+00 9.831456173e+00 9.831456173e+00 3.302791100e+01 3.302791100e+01 1.74 1.131495121e+01 1.131495121e+01 2.884727415e+01 2.884727415e+01 8.784836730e+00 8.784836730e+00 8.962805330e+00 8.962805330e+00 3.084016803e+01 3.084016803e+01 1.76 1.027961166e+01 1.027961166e+01 2.680551646e+01 2.680551646e+01 7.981982139e+00 7.981982139e+00 8.147325105e+00 8.147325105e+00 2.877688515e+01 2.877688515e+01 1.78 9.309575880e+00 9.309575880e+00 2.488129676e+01 2.488129676e+01 7.228421231e+00 7.228421231e+00 7.382087370e+00 7.382087370e+00 2.683098321e+01 2.683098321e+01 1.80 8.401188031e+00 8.401188031e+00 2.306838442e+01 2.306838442e+01 6.521457829e+00 6.521457829e+00 6.664312086e+00 6.664312086e+00 2.499582530e+01 2.499582530e+01 1.82 7.550983012e+00 7.550983012e+00 2.136086179e+01 2.136086179e+01 5.858526721e+00 5.858526721e+00 5.991353689e+00 5.991353689e+00 2.326518416e+01 2.326518416e+01 1.84 6.755677042e+00 6.755677042e+00 1.975310914e+01 1.975310914e+01 5.237179462e+00 5.237179462e+00 5.360684079e+00 5.360684079e+00 2.163321233e+01 2.163321233e+01 1.86 6.012158653e+00 6.012158653e+00 1.823979030e+01 1.823979030e+01 4.655066315e+00 4.655066315e+00 4.769871697e+00 4.769871697e+00 2.009441499e+01 2.009441499e+01 1.88 5.317480135e+00 5.317480135e+00 1.681583899e+01 1.681583899e+01 4.109914404e+00 4.109914404e+00 4.216557581e+00 4.216557581e+00 1.864362513e+01 1.864362513e+01 1.90 4.668849374e+00 4.668849374e+00 1.547644576e+01 1.547644576e+01 3.599503863e+00 3.599503863e+00 3.698431224e+00 3.698431224e+00 1.727598075e+01 1.727598075e+01 1.92 4.063622086e+00 4.063622086e+00 1.421704554e+01 1.421704554e+01 3.121645879e+00 3.121645879e+00 3.213210991e+00 3.213210991e+00 1.598690402e+01 1.598690402e+01 1.94 3.499294423e+00 3.499294423e+00 1.303330578e+01 1.303330578e+01 2.674168206e+00 2.674168206e+00 2.758635053e+00 2.758635053e+00 1.477208216e+01 1.477208216e+01 1.96 2.973495920e+00 2.973495920e+00 1.192111513e+01 1.192111513e+01 2.254914192e+00 2.254914192e+00 2.332468398e+00 2.332468398e+00 1.362744983e+01 1.362744983e+01 1.98 2.483982804e+00 2.483982804e+00 1.087657267e+01 1.087657267e+01 1.861760155e+00 1.861760155e+00 1.932529426e+00 1.932529426e+00 1.254917293e+01 1.254917293e+01 2.00 2.028631593e+00 2.028631593e+00 9.895977625e+00 9.895977625e+00 1.492652803e+00 1.492652803e+00 1.556735897e+00 1.556735897e+00 1.153363373e+01 1.153363373e+01 2.02 1.605433034e+00 1.605433034e+00 8.975819574e+00 8.975819574e+00 1.145664105e+00 1.145664105e+00 1.203165458e+00 1.203165458e+00 1.057741705e+01 1.057741705e+01 2.04 1.212486311e+00 1.212486311e+00 8.112769115e+00 8.112769115e+00 8.190552911e-01 8.190552911e-01 8.701195871e-01 8.701195871e-01 9.677297604e+00 9.677297604e+00 2.06 8.479935426e-01 8.479935426e-01 7.303668972e+00 7.303668972e+00 5.092443600e-01 5.092443600e-01 5.543962241e-01 5.543962241e-01 8.830228202e+00 8.830228202e+00 2.08 5.102545413e-01 5.102545413e-01 6.545525518e+00 6.545525518e+00 2.039387613e-01 2.039387613e-01 2.468251405e-01 2.468251405e-01 8.033328896e+00 8.033328896e+00 2.10 1.976618324e-01 1.976618324e-01 5.835500704e+00 5.835500704e+00 -7.320234120e-02 -7.320234120e-02 -3.393156425e-02 -3.393156425e-02 7.283876871e+00 7.283876871e+00 2.12 -9.130409190e-02 -9.130409190e-02 5.170904361e+00 5.170904361e+00 -3.275317971e-01 -3.275317971e-01 -2.939144046e-01 -2.939144046e-01 6.579297083e+00 6.579297083e+00 2.14 -3.580792834e-01 -3.580792834e-01 4.549186880e+00 4.549186880e+00 -5.660219139e-01 -5.660219139e-01 -5.374482022e-01 -5.374482022e-01 5.917153553e+00 5.917153553e+00 2.16 -6.040206288e-01 -6.040206288e-01 3.967932227e+00 3.967932227e+00 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