# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuMg2Pb # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.973374689e+02 2.973374689e+02 1.30 2.759677938e+02 2.759677938e+02 1.32 2.561868320e+02 2.561868320e+02 1.34 2.378661432e+02 2.378661432e+02 1.36 2.208880321e+02 2.208880321e+02 1.38 2.051453502e+02 2.051453502e+02 1.40 1.905408961e+02 1.905408961e+02 1.42 1.769865528e+02 1.769865528e+02 1.44 1.644020861e+02 1.644020861e+02 1.46 1.527137167e+02 1.527137167e+02 1.48 1.418530248e+02 1.418530248e+02 1.50 1.317565911e+02 1.317565911e+02 1.52 1.223661696e+02 1.223661696e+02 1.54 1.136287131e+02 1.136287131e+02 1.56 1.054959098e+02 1.054959098e+02 1.58 9.792348890e+01 9.792348890e+01 1.60 9.087448933e+01 9.087448933e+01 1.62 8.431576032e+01 8.431576032e+01 1.64 7.821227634e+01 7.821227634e+01 1.66 7.253227688e+01 7.253227688e+01 1.68 6.724678514e+01 6.724678514e+01 1.70 6.232916216e+01 6.232916216e+01 1.72 5.775459792e+01 5.775459792e+01 1.74 5.349964924e+01 5.349964924e+01 1.76 4.954192872e+01 4.954192872e+01 1.78 4.586004636e+01 4.586004636e+01 1.80 4.243378123e+01 4.243378123e+01 1.82 3.924435085e+01 3.924435085e+01 1.84 3.627456890e+01 3.627456890e+01 1.86 3.350882617e+01 3.350882617e+01 1.88 3.093292432e+01 3.093292432e+01 1.90 2.853384991e+01 2.853384991e+01 1.92 2.629957468e+01 2.629957468e+01 1.94 2.421892161e+01 2.421892161e+01 1.96 2.228148286e+01 2.228148286e+01 1.98 2.047757681e+01 2.047757681e+01 2.00 1.879820601e+01 1.879820601e+01 2.02 1.723500515e+01 1.723500515e+01 2.04 1.578018574e+01 1.578018574e+01 2.06 1.442649047e+01 1.442649047e+01 2.08 1.316715870e+01 1.316715870e+01 2.10 1.199590368e+01 1.199590368e+01 2.12 1.090688869e+01 1.090688869e+01 2.14 9.894696674e+00 9.894696674e+00 2.16 8.954297283e+00 8.954297283e+00 2.18 8.081007938e+00 8.081007938e+00 2.20 7.270452806e+00 7.270452806e+00 2.22 6.518520185e+00 6.518520185e+00 2.24 5.821324280e+00 5.821324280e+00 2.26 5.175175041e+00 5.175175041e+00 2.28 4.576552492e+00 4.576552492e+00 2.30 4.022103344e+00 4.022103344e+00 2.32 3.508632438e+00 3.508632438e+00 2.34 3.033124794e+00 3.033124794e+00 2.36 2.592760918e+00 2.592760918e+00 2.38 2.184938191e+00 2.184938191e+00 2.40 1.807280144e+00 1.807280144e+00 2.42 1.457629973e+00 1.457629973e+00 2.44 1.134033528e+00 1.134033528e+00 2.46 8.347150616e-01 8.347150616e-01 2.48 5.580543048e-01 5.580543048e-01 2.50 3.025662084e-01 3.025662084e-01 2.52 6.688347256e-02 6.688347256e-02 2.54 -1.502589159e-01 -1.502589159e-01 2.56 -3.500756278e-01 -3.500756278e-01 2.58 -5.338651578e-01 -5.338651578e-01 2.60 -7.024908201e-01 -7.024908201e-01 2.62 -8.567309537e-01 -8.567309537e-01 2.64 -9.973609878e-01 -9.973609878e-01 2.66 -1.125149337e+00 -1.125149337e+00 2.68 -1.240861729e+00 -1.240861729e+00 2.70 -1.345258343e+00 -1.345258343e+00 2.72 -1.439089855e+00 -1.439089855e+00 2.74 -1.523107165e+00 -1.523107165e+00 2.76 -1.598041698e+00 -1.598041698e+00 2.78 -1.664575810e+00 -1.664575810e+00 2.80 -1.723336920e+00 -1.723336920e+00 2.82 -1.774891935e+00 -1.774891935e+00 2.84 -1.819752524e+00 -1.819752524e+00 2.86 -1.858381474e+00 -1.858381474e+00 2.88 -1.891201756e+00 -1.891201756e+00 2.90 -1.918605680e+00 -1.918605680e+00 2.92 -1.940962735e+00 -1.940962735e+00 2.94 -1.958625419e+00 -1.958625419e+00 2.96 -1.971932949e+00 -1.971932949e+00 2.98 -1.981218295e+00 -1.981218295e+00 3.00 -1.986831414e+00 -1.986831414e+00 3.02 -1.989051196e+00 -1.989051196e+00 3.04 -1.988138095e+00 -1.988138095e+00 3.06 -1.984350140e+00 -1.984350140e+00 3.08 -1.977934206e+00 -1.977934206e+00 3.10 -1.969128412e+00 -1.969128412e+00 3.12 -1.958158575e+00 -1.958158575e+00 3.14 -1.945240378e+00 -1.945240378e+00 3.16 -1.930568592e+00 -1.930568592e+00 3.18 -1.914321046e+00 -1.914321046e+00 3.20 -1.896693184e+00 -1.896693184e+00 3.22 -1.877817380e+00 -1.877817380e+00 3.24 -1.857804308e+00 -1.857804308e+00 3.26 -1.836759921e+00 -1.836759921e+00 3.28 -1.814785224e+00 -1.814785224e+00 3.30 -1.791976216e+00 -1.791976216e+00 3.32 -1.768423799e+00 -1.768423799e+00 3.34 -1.744213528e+00 -1.744213528e+00 3.36 -1.719423340e+00 -1.719423340e+00 3.38 -1.694096012e+00 -1.694096012e+00 3.40 -1.668249561e+00 -1.668249561e+00 3.42 -1.641907407e+00 -1.641907407e+00 3.44 -1.615096096e+00 -1.615096096e+00 3.46 -1.587845562e+00 -1.587845562e+00 3.48 -1.560188034e+00 -1.560188034e+00 3.50 -1.532157351e+00 -1.532157351e+00 3.52 -1.503788330e+00 -1.503788330e+00 3.54 -1.475116200e+00 -1.475116200e+00 3.56 -1.446176169e+00 -1.446176169e+00 3.58 -1.417003201e+00 -1.417003201e+00 3.60 -1.387632015e+00 -1.387632015e+00 3.62 -1.358097366e+00 -1.358097366e+00 3.64 -1.328434550e+00 -1.328434550e+00 3.66 -1.298680113e+00 -1.298680113e+00 3.68 -1.268872666e+00 -1.268872666e+00 3.70 -1.239053717e+00 -1.239053717e+00 3.72 -1.209268385e+00 -1.209268385e+00 3.74 -1.179565901e+00 -1.179565901e+00 3.76 -1.149999763e+00 -1.149999763e+00 3.78 -1.120627474e+00 -1.120627474e+00 3.80 -1.091509779e+00 -1.091509779e+00 3.82 -1.062709373e+00 -1.062709373e+00 3.84 -1.034289088e+00 -1.034289088e+00 3.86 -1.006309666e+00 -1.006309666e+00 3.88 -9.788272822e-01 -9.788272822e-01 3.90 -9.518910880e-01 -9.518910880e-01 3.92 -9.255405741e-01 -9.255405741e-01 3.94 -8.998061955e-01 -8.998061955e-01 3.96 -8.747052838e-01 -8.747052838e-01 3.98 -8.502445768e-01 -8.502445768e-01 4.00 -8.264205003e-01 -8.264205003e-01 4.02 -8.032206496e-01 -8.032206496e-01 4.04 -7.806255846e-01 -7.806255846e-01 4.06 -7.586106962e-01 -7.586106962e-01 4.08 -7.371479575e-01 -7.371479575e-01 4.10 -7.162058150e-01 -7.162058150e-01 4.12 -6.957572280e-01 -6.957572280e-01 4.14 -6.757699243e-01 -6.757699243e-01 4.16 -6.562146659e-01 -6.562146659e-01 4.18 -6.370638269e-01 -6.370638269e-01 4.20 -6.182918667e-01 -6.182918667e-01 4.22 -5.998757578e-01 -5.998757578e-01 4.24 -5.817954113e-01 -5.817954113e-01 4.26 -5.640341206e-01 -5.640341206e-01 4.28 -5.465790245e-01 -5.465790245e-01 4.30 -5.294215650e-01 -5.294215650e-01 4.32 -5.125578943e-01 -5.125578943e-01 4.34 -4.959891658e-01 -4.959891658e-01 4.36 -4.797216345e-01 -4.797216345e-01 4.38 -4.637664913e-01 -4.637664913e-01 4.40 -4.481393757e-01 -4.481393757e-01 4.42 -4.328595398e-01 -4.328595398e-01 4.44 -4.179486870e-01 -4.179486870e-01 4.46 -4.034295550e-01 -4.034295550e-01 4.48 -3.893243639e-01 -3.893243639e-01 4.50 -3.756532760e-01 -3.756532760e-01 4.52 -3.624330244e-01 -3.624330244e-01 4.54 -3.496758401e-01 -3.496758401e-01 4.56 -3.373887703e-01 -3.373887703e-01 4.58 -3.255734191e-01 -3.255734191e-01 4.60 -3.142260879e-01 -3.142260879e-01 4.62 -3.033382502e-01 -3.033382502e-01 4.64 -2.928972622e-01 -2.928972622e-01 4.66 -2.828872091e-01 -2.828872091e-01 4.68 -2.732897908e-01 -2.732897908e-01 4.70 -2.640851694e-01 -2.640851694e-01 4.72 -2.552527258e-01 -2.552527258e-01 4.74 -2.467716942e-01 -2.467716942e-01 4.76 -2.386216627e-01 -2.386216627e-01 4.78 -2.307829447e-01 -2.307829447e-01 4.80 -2.232356854e-01 -2.232356854e-01 4.82 -2.159647865e-01 -2.159647865e-01 4.84 -2.089525083e-01 -2.089525083e-01 4.86 -2.021836983e-01 -2.021836983e-01 4.88 -1.956443878e-01 -1.956443878e-01 4.90 -1.893217313e-01 -1.893217313e-01 4.92 -1.832039305e-01 -1.832039305e-01 4.94 -1.772801501e-01 -1.772801501e-01 4.96 -1.715404352e-01 -1.715404352e-01 4.98 -1.659756335e-01 -1.659756335e-01 5.00 -1.605773265e-01 -1.605773265e-01 5.02 -1.553377714e-01 -1.553377714e-01 5.04 -1.502498550e-01 -1.502498550e-01 5.06 -1.453070584e-01 -1.453070584e-01 5.08 -1.405034310e-01 -1.405034310e-01 5.10 -1.358335734e-01 -1.358335734e-01 5.12 -1.312926251e-01 -1.312926251e-01 5.14 -1.268762536e-01 -1.268762536e-01 5.16 -1.225806435e-01 -1.225806435e-01 5.18 -1.184024805e-01 -1.184024805e-01 5.20 -1.143389286e-01 -1.143389286e-01 5.22 -1.103875975e-01 -1.103875975e-01 5.24 -1.065464996e-01 -1.065464996e-01 5.26 -1.028139963e-01 -1.028139963e-01 5.28 -9.918873556e-02 -9.918873556e-02 5.30 -9.566958256e-02 -9.566958256e-02 5.32 -9.225554766e-02 -9.225554766e-02 5.34 -8.894571487e-02 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-3.268684470e-02 -3.268684470e-02 5.88 -3.125908121e-02 -3.125908121e-02 5.90 -2.985698757e-02 -2.985698757e-02 5.92 -2.847937820e-02 -2.847937820e-02 5.94 -2.712545284e-02 -2.712545284e-02 5.96 -2.579450557e-02 -2.579450557e-02 5.98 -2.448659112e-02 -2.448659112e-02 6.00 -2.320227368e-02 -2.320227368e-02