# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Ko-W-S-Lee-J-S-Kim-D-H--Ag-Cu-Sn # implementation = 2021--Ko-W-S--Ag-Cu-Sn--LAMMPS--ipr1 # composition = Ag2CuSn # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 6.470771982e+02 6.470771982e+02 1.00 6.072200797e+02 6.072200797e+02 1.02 5.697063388e+02 5.697063388e+02 1.04 5.344023100e+02 5.344023100e+02 1.06 5.011817848e+02 5.011817848e+02 1.08 4.699256031e+02 4.699256031e+02 1.10 4.405212663e+02 4.405212663e+02 1.12 4.128625714e+02 4.128625714e+02 1.14 3.868492650e+02 3.868492650e+02 1.16 3.623867156e+02 3.623867156e+02 1.18 3.393856041e+02 3.393856041e+02 1.20 3.177616310e+02 3.177616310e+02 1.22 2.974352393e+02 2.974352393e+02 1.24 2.783313527e+02 2.783313527e+02 1.26 2.603791276e+02 2.603791276e+02 1.28 2.435117195e+02 2.435117195e+02 1.30 2.276660609e+02 2.276660609e+02 1.32 2.127826525e+02 2.127826525e+02 1.34 1.988053650e+02 1.988053650e+02 1.36 1.856812522e+02 1.856812522e+02 1.38 1.733603740e+02 1.733603740e+02 1.40 1.617956292e+02 1.617956292e+02 1.42 1.509425978e+02 1.509425978e+02 1.44 1.407593911e+02 1.407593911e+02 1.46 1.312065113e+02 1.312065113e+02 1.48 1.222467172e+02 1.222467172e+02 1.50 1.138448990e+02 1.138448990e+02 1.52 1.059679586e+02 1.059679586e+02 1.54 9.858469715e+01 9.858469715e+01 1.56 9.166570874e+01 9.166570874e+01 1.58 8.518327987e+01 8.518327987e+01 1.60 7.911129436e+01 7.911129436e+01 1.62 7.342514370e+01 7.342514370e+01 1.64 6.810164225e+01 6.810164225e+01 1.66 6.311894709e+01 6.311894709e+01 1.68 5.845648237e+01 5.845648237e+01 1.70 5.409486785e+01 5.409486785e+01 1.72 5.001585124e+01 5.001585124e+01 1.74 4.620224455e+01 4.620224455e+01 1.76 4.263786375e+01 4.263786375e+01 1.78 3.930747182e+01 3.930747182e+01 1.80 3.619672509e+01 3.619672509e+01 1.82 3.329212235e+01 3.329212235e+01 1.84 3.058095696e+01 3.058095696e+01 1.86 2.805127159e+01 2.805127159e+01 1.88 2.569181536e+01 2.569181536e+01 1.90 2.349200355e+01 2.349200355e+01 1.92 2.144187944e+01 2.144187944e+01 1.94 1.953207829e+01 1.953207829e+01 1.96 1.775379339e+01 1.775379339e+01 1.98 1.609874393e+01 1.609874393e+01 2.00 1.455914473e+01 1.455914473e+01 2.02 1.312767765e+01 1.312767765e+01 2.04 1.179746460e+01 1.179746460e+01 2.06 1.056204205e+01 1.056204205e+01 2.08 9.415337010e+00 9.415337010e+00 2.10 8.351644336e+00 8.351644336e+00 2.12 7.365605312e+00 7.365605312e+00 2.14 6.452187469e+00 6.452187469e+00 2.16 5.606665504e+00 5.606665504e+00 2.18 4.824603323e+00 4.824603323e+00 2.20 4.101837065e+00 4.101837065e+00 2.22 3.434459103e+00 3.434459103e+00 2.24 2.818802969e+00 2.818802969e+00 2.26 2.251429110e+00 2.251429110e+00 2.28 1.729111468e+00 1.729111468e+00 2.30 1.248824842e+00 1.248824842e+00 2.32 8.077329368e-01 8.077329368e-01 2.34 4.031771327e-01 4.031771327e-01 2.36 3.266588028e-02 3.266588028e-02 2.38 -3.061353000e-01 -3.061353000e-01 2.40 -6.154132229e-01 -6.154132229e-01 2.42 -8.972159203e-01 -8.972159203e-01 2.44 -1.153461003e+00 -1.153461003e+00 2.46 -1.385943532e+00 -1.385943532e+00 2.48 -1.596343445e+00 -1.596343445e+00 2.50 -1.786232546e+00 -1.786232546e+00 2.52 -1.957081083e+00 -1.957081083e+00 2.54 -2.110263952e+00 -2.110263952e+00 2.56 -2.247066532e+00 -2.247066532e+00 2.58 -2.368690177e+00 -2.368690177e+00 2.60 -2.476257396e+00 -2.476257396e+00 2.62 -2.570816710e+00 -2.570816710e+00 2.64 -2.653347242e+00 -2.653347242e+00 2.66 -2.724763023e+00 -2.724763023e+00 2.68 -2.785917048e+00 -2.785917048e+00 2.70 -2.837605092e+00 -2.837605092e+00 2.72 -2.880569296e+00 -2.880569296e+00 2.74 -2.915501540e+00 -2.915501540e+00 2.76 -2.943046618e+00 -2.943046618e+00 2.78 -2.963805215e+00 -2.963805215e+00 2.80 -2.978336715e+00 -2.978336715e+00 2.82 -2.987161833e+00 -2.987161833e+00 2.84 -2.990765086e+00 -2.990765086e+00 2.86 -2.989597124e+00 -2.989597124e+00 2.88 -2.984076912e+00 -2.984076912e+00 2.90 -2.974593777e+00 -2.974593777e+00 2.92 -2.961509340e+00 -2.961509340e+00 2.94 -2.945159319e+00 -2.945159319e+00 2.96 -2.925855227e+00 -2.925855227e+00 2.98 -2.903885966e+00 -2.903885966e+00 3.00 -2.879519319e+00 -2.879519319e+00 3.02 -2.852990939e+00 -2.852990939e+00 3.04 -2.824256824e+00 -2.824256824e+00 3.06 -2.793065049e+00 -2.793065049e+00 3.08 -2.761132305e+00 -2.761132305e+00 3.10 -2.727919191e+00 -2.727919191e+00 3.12 -2.693570827e+00 -2.693570827e+00 3.14 -2.658239907e+00 -2.658239907e+00 3.16 -2.622067175e+00 -2.622067175e+00 3.18 -2.585182253e+00 -2.585182253e+00 3.20 -2.547704416e+00 -2.547704416e+00 3.22 -2.509743308e+00 -2.509743308e+00 3.24 -2.471399630e+00 -2.471399630e+00 3.26 -2.432765764e+00 -2.432765764e+00 3.28 -2.393926370e+00 -2.393926370e+00 3.30 -2.354958937e+00 -2.354958937e+00 3.32 -2.315934306e+00 -2.315934306e+00 3.34 -2.276917146e+00 -2.276917146e+00 3.36 -2.237966411e+00 -2.237966411e+00 3.38 -2.199135759e+00 -2.199135759e+00 3.40 -2.160473949e+00 -2.160473949e+00 3.42 -2.122025205e+00 -2.122025205e+00 3.44 -2.083829561e+00 -2.083829561e+00 3.46 -2.045923179e+00 -2.045923179e+00 3.48 -2.008338648e+00 -2.008338648e+00 3.50 -1.971105263e+00 -1.971105263e+00 3.52 -1.934249280e+00 -1.934249280e+00 3.54 -1.897794161e+00 -1.897794161e+00 3.56 -1.861760793e+00 -1.861760793e+00 3.58 -1.826167701e+00 -1.826167701e+00 3.60 -1.791031241e+00 -1.791031241e+00 3.62 -1.756365776e+00 -1.756365776e+00 3.64 -1.722183850e+00 -1.722183850e+00 3.66 -1.688496334e+00 -1.688496334e+00 3.68 -1.655312580e+00 -1.655312580e+00 3.70 -1.622640546e+00 -1.622640546e+00 3.72 -1.590486922e+00 -1.590486922e+00 3.74 -1.558857246e+00 -1.558857246e+00 3.76 -1.527756006e+00 -1.527756006e+00 3.78 -1.497186741e+00 -1.497186741e+00 3.80 -1.467152127e+00 -1.467152127e+00 3.82 -1.437654060e+00 -1.437654060e+00 3.84 -1.408693733e+00 -1.408693733e+00 3.86 -1.380271704e+00 -1.380271704e+00 3.88 -1.352387959e+00 -1.352387959e+00 3.90 -1.325041970e+00 -1.325041970e+00 3.92 -1.298232748e+00 -1.298232748e+00 3.94 -1.271958887e+00 -1.271958887e+00 3.96 -1.246218607e+00 -1.246218607e+00 3.98 -1.221009795e+00 -1.221009795e+00 4.00 -1.196330030e+00 -1.196330030e+00 4.02 -1.172176620e+00 -1.172176620e+00 4.04 -1.148546617e+00 -1.148546617e+00 4.06 -1.125436845e+00 -1.125436845e+00 4.08 -1.102843908e+00 -1.102843908e+00 4.10 -1.080764205e+00 -1.080764205e+00 4.12 -1.059193937e+00 -1.059193937e+00 4.14 -1.038129106e+00 -1.038129106e+00 4.16 -1.017565514e+00 -1.017565514e+00 4.18 -9.974987599e-01 -9.974987599e-01 4.20 -9.779242199e-01 -9.779242199e-01 4.22 -9.588370369e-01 -9.588370369e-01 4.24 -9.402320955e-01 -9.402320955e-01 4.26 -9.218263424e-01 -9.218263424e-01 4.28 -8.979830718e-01 -8.979830718e-01 4.30 -8.529944393e-01 -8.529944393e-01 4.32 -7.808211517e-01 -7.808211517e-01 4.34 -7.492118303e-01 -7.492118303e-01 4.36 -7.355920120e-01 -7.355920120e-01 4.38 -7.223725904e-01 -7.223725904e-01 4.40 -7.095433682e-01 -7.095433682e-01 4.42 -6.970933450e-01 -6.970933450e-01 4.44 -6.850106506e-01 -6.850106506e-01 4.46 -6.732824833e-01 -6.732824833e-01 4.48 -6.618950566e-01 -6.618950566e-01 4.50 -6.508335580e-01 -6.508335580e-01 4.52 -6.400821256e-01 -6.400821256e-01 4.54 -6.296238462e-01 -6.296238462e-01 4.56 -6.194407822e-01 -6.194407822e-01 4.58 -6.095140315e-01 -6.095140315e-01 4.60 -5.998238268e-01 -5.998238268e-01 4.62 -5.903496785e-01 -5.903496785e-01 4.64 -5.810705640e-01 -5.810705640e-01 4.66 -5.719651662e-01 -5.719651662e-01 4.68 -5.630121585e-01 -5.630121585e-01 4.70 -5.541905336e-01 -5.541905336e-01 4.72 -5.454799666e-01 -5.454799666e-01 4.74 -5.368612024e-01 -5.368612024e-01 4.76 -5.283164507e-01 -5.283164507e-01 4.78 -5.198297702e-01 -5.198297702e-01 4.80 -5.113874218e-01 -5.113874218e-01 4.82 -5.029781675e-01 -5.029781675e-01 4.84 -4.945934951e-01 -4.945934951e-01 4.86 -4.862277504e-01 -4.862277504e-01 4.88 -4.778781631e-01 -4.778781631e-01 4.90 -4.695447614e-01 -4.695447614e-01 4.92 -4.602409841e-01 -4.602409841e-01 4.94 -4.373700086e-01 -4.373700086e-01 4.96 -3.674525611e-01 -3.674525611e-01 4.98 -2.042739582e-01 -2.042739582e-01 5.00 -1.406754273e-22 -1.406924963e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00