# 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 = AlCu2Zr # 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 1.443668154e+02 1.443668154e+02 1.30 1.336227406e+02 1.336227406e+02 1.32 1.236690799e+02 1.236690799e+02 1.34 1.144457666e+02 1.144457666e+02 1.36 1.058976399e+02 1.058976399e+02 1.38 9.797404146e+01 9.797404146e+01 1.40 9.062810024e+01 9.062810024e+01 1.42 8.381570324e+01 8.381570324e+01 1.44 7.749447217e+01 7.749447217e+01 1.46 7.162366652e+01 7.162366652e+01 1.48 6.616531464e+01 6.616531464e+01 1.50 6.108559445e+01 6.108559445e+01 1.52 5.635525247e+01 5.635525247e+01 1.54 5.194879798e+01 5.194879798e+01 1.56 4.784322328e+01 4.784322328e+01 1.58 4.401726798e+01 4.401726798e+01 1.60 4.045134144e+01 4.045134144e+01 1.62 3.712765271e+01 3.712765271e+01 1.64 3.403009726e+01 3.403009726e+01 1.66 3.114391040e+01 3.114391040e+01 1.68 2.845534571e+01 2.845534571e+01 1.70 2.595179170e+01 2.595179170e+01 1.72 2.362185571e+01 2.362185571e+01 1.74 2.145452363e+01 2.145452363e+01 1.76 1.943942553e+01 1.943942553e+01 1.78 1.756760295e+01 1.756760295e+01 1.80 1.583062268e+01 1.583062268e+01 1.82 1.421924583e+01 1.421924583e+01 1.84 1.272457746e+01 1.272457746e+01 1.86 1.133813151e+01 1.133813151e+01 1.88 1.005190619e+01 1.005190619e+01 1.90 8.858474742e+00 8.858474742e+00 1.92 7.750992189e+00 7.750992189e+00 1.94 6.723165742e+00 6.723165742e+00 1.96 5.769173651e+00 5.769173651e+00 1.98 4.883660618e+00 4.883660618e+00 2.00 4.061776696e+00 4.061776696e+00 2.02 3.299203537e+00 3.299203537e+00 2.04 2.592128213e+00 2.592128213e+00 2.06 1.937149666e+00 1.937149666e+00 2.08 1.331144047e+00 1.331144047e+00 2.10 7.711367118e-01 7.711367118e-01 2.12 2.542398361e-01 2.542398361e-01 2.14 -2.223603317e-01 -2.223603317e-01 2.16 -6.613660793e-01 -6.613660793e-01 2.18 -1.065339597e+00 -1.065339597e+00 2.20 -1.436689165e+00 -1.436689165e+00 2.22 -1.777686908e+00 -1.777686908e+00 2.24 -2.090479301e+00 -2.090479301e+00 2.26 -2.377083983e+00 -2.377083983e+00 2.28 -2.639380919e+00 -2.639380919e+00 2.30 -2.879090369e+00 -2.879090369e+00 2.32 -3.097789192e+00 -3.097789192e+00 2.34 -3.296889697e+00 -3.296889697e+00 2.36 -3.477662432e+00 -3.477662432e+00 2.38 -3.641239414e+00 -3.641239414e+00 2.40 -3.788630214e+00 -3.788630214e+00 2.42 -3.920754433e+00 -3.920754433e+00 2.44 -4.038527261e+00 -4.038527261e+00 2.46 -4.142793871e+00 -4.142793871e+00 2.48 -4.234340885e+00 -4.234340885e+00 2.50 -4.313997474e+00 -4.313997474e+00 2.52 -4.382625647e+00 -4.382625647e+00 2.54 -4.441101818e+00 -4.441101818e+00 2.56 -4.490296596e+00 -4.490296596e+00 2.58 -4.531057827e+00 -4.531057827e+00 2.60 -4.564141963e+00 -4.564141963e+00 2.62 -4.590161320e+00 -4.590161320e+00 2.64 -4.609709737e+00 -4.609709737e+00 2.66 -4.623347730e+00 -4.623347730e+00 2.68 -4.631600615e+00 -4.631600615e+00 2.70 -4.634948952e+00 -4.634948952e+00 2.72 -4.633826989e+00 -4.633826989e+00 2.74 -4.628622551e+00 -4.628622551e+00 2.76 -4.619675732e+00 -4.619675732e+00 2.78 -4.607274583e+00 -4.607274583e+00 2.80 -4.591662711e+00 -4.591662711e+00 2.82 -4.573372689e+00 -4.573372689e+00 2.84 -4.552907216e+00 -4.552907216e+00 2.86 -4.530230686e+00 -4.530230686e+00 2.88 -4.505524940e+00 -4.505524940e+00 2.90 -4.478513036e+00 -4.478513036e+00 2.92 -4.448944512e+00 -4.448944512e+00 2.94 -4.416656933e+00 -4.416656933e+00 2.96 -4.381566818e+00 -4.381566818e+00 2.98 -4.343661893e+00 -4.343661893e+00 3.00 -4.303002996e+00 -4.303002996e+00 3.02 -4.259712980e+00 -4.259712980e+00 3.04 -4.213955572e+00 -4.213955572e+00 3.06 -4.165933168e+00 -4.165933168e+00 3.08 -4.115881220e+00 -4.115881220e+00 3.10 -4.064054015e+00 -4.064054015e+00 3.12 -4.010692346e+00 -4.010692346e+00 3.14 -3.956020840e+00 -3.956020840e+00 3.16 -3.900226594e+00 -3.900226594e+00 3.18 -3.843465100e+00 -3.843465100e+00 3.20 -3.785857688e+00 -3.785857688e+00 3.22 -3.727495173e+00 -3.727495173e+00 3.24 -3.668444308e+00 -3.668444308e+00 3.26 -3.608755925e+00 -3.608755925e+00 3.28 -3.548473328e+00 -3.548473328e+00 3.30 -3.487639395e+00 -3.487639395e+00 3.32 -3.426301226e+00 -3.426301226e+00 3.34 -3.364511922e+00 -3.364511922e+00 3.36 -3.302330058e+00 -3.302330058e+00 3.38 -3.239818014e+00 -3.239818014e+00 3.40 -3.177039328e+00 -3.177039328e+00 3.42 -3.114062362e+00 -3.114062362e+00 3.44 -3.050953264e+00 -3.050953264e+00 3.46 -2.987781428e+00 -2.987781428e+00 3.48 -2.924618351e+00 -2.924618351e+00 3.50 -2.861537245e+00 -2.861537245e+00 3.52 -2.798611935e+00 -2.798611935e+00 3.54 -2.735915228e+00 -2.735915228e+00 3.56 -2.673517040e+00 -2.673517040e+00 3.58 -2.611482630e+00 -2.611482630e+00 3.60 -2.549871218e+00 -2.549871218e+00 3.62 -2.488735187e+00 -2.488735187e+00 3.64 -2.428119974e+00 -2.428119974e+00 3.66 -2.368064693e+00 -2.368064693e+00 3.68 -2.308603472e+00 -2.308603472e+00 3.70 -2.249767406e+00 -2.249767406e+00 3.72 -2.191587002e+00 -2.191587002e+00 3.74 -2.134094878e+00 -2.134094878e+00 3.76 -2.077328415e+00 -2.077328415e+00 3.78 -2.021331981e+00 -2.021331981e+00 3.80 -1.966158267e+00 -1.966158267e+00 3.82 -1.911868322e+00 -1.911868322e+00 3.84 -1.858529961e+00 -1.858529961e+00 3.86 -1.806214474e+00 -1.806214474e+00 3.88 -1.754991853e+00 -1.754991853e+00 3.90 -1.704925137e+00 -1.704925137e+00 3.92 -1.656063270e+00 -1.656063270e+00 3.94 -1.608442320e+00 -1.608442320e+00 3.96 -1.562072724e+00 -1.562072724e+00 3.98 -1.516944927e+00 -1.516944927e+00 4.00 -1.473028548e+00 -1.473028548e+00 4.02 -1.430275064e+00 -1.430275064e+00 4.04 -1.388621630e+00 -1.388621630e+00 4.06 -1.347995419e+00 -1.347995419e+00 4.08 -1.308317971e+00 -1.308317971e+00 4.10 -1.269505482e+00 -1.269505482e+00 4.12 -1.231487858e+00 -1.231487858e+00 4.14 -1.194187160e+00 -1.194187160e+00 4.16 -1.157537390e+00 -1.157537390e+00 4.18 -1.121482003e+00 -1.121482003e+00 4.20 -1.085975677e+00 -1.085975677e+00 4.22 -1.050985761e+00 -1.050985761e+00 4.24 -1.016493353e+00 -1.016493353e+00 4.26 -9.824939473e-01 -9.824939473e-01 4.28 -9.489975480e-01 -9.489975480e-01 4.30 -9.160281639e-01 -9.160281639e-01 4.32 -8.836226343e-01 -8.836226343e-01 4.34 -8.518287848e-01 -8.518287848e-01 4.36 -8.207029696e-01 -8.207029696e-01 4.38 -7.903071167e-01 -7.903071167e-01 4.40 -7.607054289e-01 -7.607054289e-01 4.42 -7.319609231e-01 -7.319609231e-01 4.44 -7.041320050e-01 -7.041320050e-01 4.46 -6.772692822e-01 -6.772692822e-01 4.48 -6.514128108e-01 -6.514128108e-01 4.50 -6.265899584e-01 -6.265899584e-01 4.52 -6.028140224e-01 -6.028140224e-01 4.54 -5.800836878e-01 -5.800836878e-01 4.56 -5.583833309e-01 -5.583833309e-01 4.58 -5.376840942e-01 -5.376840942e-01 4.60 -5.179455897e-01 -5.179455897e-01 4.62 -4.991180392e-01 -4.991180392e-01 4.64 -4.811446477e-01 -4.811446477e-01 4.66 -4.639640183e-01 -4.639640183e-01 4.68 -4.475124534e-01 -4.475124534e-01 4.70 -4.317260336e-01 -4.317260336e-01 4.72 -4.165424187e-01 -4.165424187e-01 4.74 -4.019023508e-01 -4.019023508e-01 4.76 -3.877507812e-01 -3.877507812e-01 4.78 -3.740378019e-01 -3.740378019e-01 4.80 -3.607167496e-01 -3.607167496e-01 4.82 -3.477574728e-01 -3.477574728e-01 4.84 -3.351258850e-01 -3.351258850e-01 4.86 -3.227987343e-01 -3.227987343e-01 4.88 -3.107597681e-01 -3.107597681e-01 4.90 -2.989995149e-01 -2.989995149e-01 4.92 -2.875148330e-01 -2.875148330e-01 4.94 -2.763082170e-01 -2.763082170e-01 4.96 -2.653868707e-01 -2.653868707e-01 4.98 -2.547615760e-01 -2.547615760e-01 5.00 -2.444454110e-01 -2.444454110e-01 5.02 -2.344523935e-01 -2.344523935e-01 5.04 -2.247961417e-01 -2.247961417e-01 5.06 -2.154886458e-01 -2.154886458e-01 5.08 -2.065392372e-01 -2.065392372e-01 5.10 -1.979538192e-01 -1.979538192e-01 5.12 -1.897343978e-01 -1.897343978e-01 5.14 -1.818789169e-01 -1.818789169e-01 5.16 -1.743813755e-01 -1.743813755e-01 5.18 -1.672321818e-01 -1.672321818e-01 5.20 -1.604186851e-01 -1.604186851e-01 5.22 -1.539258236e-01 -1.539258236e-01 5.24 -1.477368275e-01 -1.477368275e-01 5.26 -1.418339269e-01 -1.418339269e-01 5.28 -1.361990235e-01 -1.361990235e-01 5.30 -1.308142967e-01 -1.308142967e-01 5.32 -1.256627256e-01 -1.256627256e-01 5.34 -1.207285117e-01 -1.207285117e-01 5.36 -1.159973989e-01 -1.159973989e-01 5.38 -1.114568856e-01 -1.114568856e-01 5.40 -1.070963250e-01 -1.070963250e-01 5.42 -1.029069200e-01 -1.029069200e-01 5.44 -9.888161565e-02 -9.888161565e-02 5.46 -9.501490106e-02 -9.501490106e-02 5.48 -9.130253147e-02 -9.130253147e-02 5.50 -8.774120138e-02 -8.774120138e-02 5.52 -8.432819152e-02 -8.432819152e-02 5.54 -8.106101621e-02 -8.106101621e-02 5.56 -7.793710165e-02 -7.793710165e-02 5.58 -7.495351882e-02 -7.495351882e-02 5.60 -7.210666552e-02 -7.210666552e-02 5.62 -6.939233157e-02 -6.939233157e-02 5.64 -6.680578761e-02 -6.680578761e-02 5.66 -6.434158793e-02 -6.434158793e-02 5.68 -6.199366255e-02 -6.199366255e-02 5.70 -5.975544603e-02 -5.975544603e-02 5.72 -5.762002388e-02 -5.762002388e-02 5.74 -5.558028090e-02 -5.558028090e-02 5.76 -5.362903924e-02 -5.362903924e-02 5.78 -5.175917847e-02 -5.175917847e-02 5.80 -4.996373342e-02 -4.996373342e-02 5.82 -4.823596895e-02 -4.823596895e-02 5.84 -4.656943303e-02 -4.656943303e-02 5.86 -4.495799122e-02 -4.495799122e-02 5.88 -4.339584618e-02 -4.339584618e-02 5.90 -4.187754650e-02 -4.187754650e-02 5.92 -4.039798873e-02 -4.039798873e-02 5.94 -3.895241622e-02 -3.895241622e-02 5.96 -3.753641823e-02 -3.753641823e-02 5.98 -3.614593156e-02 -3.614593156e-02 6.00 -3.477724724e-02 -3.477724724e-02