# 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 = Mg2NiZr # 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 3.446584403e+02 3.446584403e+02 1.30 3.195568919e+02 3.195568919e+02 1.32 2.963254118e+02 2.963254118e+02 1.34 2.748127904e+02 2.748127904e+02 1.36 2.548825415e+02 2.548825415e+02 1.38 2.364121809e+02 2.364121809e+02 1.40 2.192911100e+02 2.192911100e+02 1.42 2.034176913e+02 2.034176913e+02 1.44 1.886970699e+02 1.886970699e+02 1.46 1.750405957e+02 1.750405957e+02 1.48 1.623662006e+02 1.623662006e+02 1.50 1.505984879e+02 1.505984879e+02 1.52 1.396683025e+02 1.396683025e+02 1.54 1.295122086e+02 1.295122086e+02 1.56 1.200721749e+02 1.200721749e+02 1.58 1.112953682e+02 1.112953682e+02 1.60 1.031337404e+02 1.031337404e+02 1.62 9.554337931e+01 9.554337931e+01 1.64 8.848382976e+01 8.848382976e+01 1.66 8.191756786e+01 8.191756786e+01 1.68 7.580966986e+01 7.580966986e+01 1.70 7.012775064e+01 7.012775064e+01 1.72 6.484235217e+01 6.484235217e+01 1.74 5.992591004e+01 5.992591004e+01 1.76 5.535264736e+01 5.535264736e+01 1.78 5.109855552e+01 5.109855552e+01 1.80 4.714094689e+01 4.714094689e+01 1.82 4.345888417e+01 4.345888417e+01 1.84 4.003286917e+01 4.003286917e+01 1.86 3.684472456e+01 3.684472456e+01 1.88 3.387762175e+01 3.387762175e+01 1.90 3.111612044e+01 3.111612044e+01 1.92 2.854610398e+01 2.854610398e+01 1.94 2.615463551e+01 2.615463551e+01 1.96 2.392974669e+01 2.392974669e+01 1.98 2.186030878e+01 2.186030878e+01 2.00 1.993596206e+01 1.993596206e+01 2.02 1.814705964e+01 1.814705964e+01 2.04 1.648460395e+01 1.648460395e+01 2.06 1.494017134e+01 1.494017134e+01 2.08 1.350583381e+01 1.350583381e+01 2.10 1.217410973e+01 1.217410973e+01 2.12 1.093795672e+01 1.093795672e+01 2.14 9.790787004e+00 9.790787004e+00 2.16 8.726501709e+00 8.726501709e+00 2.18 7.739485840e+00 7.739485840e+00 2.20 6.824569233e+00 6.824569233e+00 2.22 5.976944272e+00 5.976944272e+00 2.24 5.192097075e+00 5.192097075e+00 2.26 4.465769077e+00 4.465769077e+00 2.28 3.793935410e+00 3.793935410e+00 2.30 3.172827922e+00 3.172827922e+00 2.32 2.598903283e+00 2.598903283e+00 2.34 2.068866824e+00 2.068866824e+00 2.36 1.579642323e+00 1.579642323e+00 2.38 1.128372338e+00 1.128372338e+00 2.40 7.124125208e-01 7.124125208e-01 2.42 3.292638584e-01 3.292638584e-01 2.44 -2.335256465e-02 -2.335256465e-02 2.46 -3.474857642e-01 -3.474857642e-01 2.48 -6.450833715e-01 -6.450833715e-01 2.50 -9.179957089e-01 -9.179957089e-01 2.52 -1.167969508e+00 -1.167969508e+00 2.54 -1.396636555e+00 -1.396636555e+00 2.56 -1.605498196e+00 -1.605498196e+00 2.58 -1.795815195e+00 -1.795815195e+00 2.60 -1.968650201e+00 -1.968650201e+00 2.62 -2.125001379e+00 -2.125001379e+00 2.64 -2.265832361e+00 -2.265832361e+00 2.66 -2.392065858e+00 -2.392065858e+00 2.68 -2.504611758e+00 -2.504611758e+00 2.70 -2.604370656e+00 -2.604370656e+00 2.72 -2.692234941e+00 -2.692234941e+00 2.74 -2.769083830e+00 -2.769083830e+00 2.76 -2.835772916e+00 -2.835772916e+00 2.78 -2.893117884e+00 -2.893117884e+00 2.80 -2.941852726e+00 -2.941852726e+00 2.82 -2.982555188e+00 -2.982555188e+00 2.84 -3.015756679e+00 -3.015756679e+00 2.86 -3.041954683e+00 -3.041954683e+00 2.88 -3.061613748e+00 -3.061613748e+00 2.90 -3.075168808e+00 -3.075168808e+00 2.92 -3.083028987e+00 -3.083028987e+00 2.94 -3.085580734e+00 -3.085580734e+00 2.96 -3.083189883e+00 -3.083189883e+00 2.98 -3.076202794e+00 -3.076202794e+00 3.00 -3.064947023e+00 -3.064947023e+00 3.02 -3.049732048e+00 -3.049732048e+00 3.04 -3.030848144e+00 -3.030848144e+00 3.06 -3.008578405e+00 -3.008578405e+00 3.08 -2.983185508e+00 -2.983185508e+00 3.10 -2.954926424e+00 -2.954926424e+00 3.12 -2.924050222e+00 -2.924050222e+00 3.14 -2.890810524e+00 -2.890810524e+00 3.16 -2.855451231e+00 -2.855451231e+00 3.18 -2.818218057e+00 -2.818218057e+00 3.20 -2.779354625e+00 -2.779354625e+00 3.22 -2.739101154e+00 -2.739101154e+00 3.24 -2.697693173e+00 -2.697693173e+00 3.26 -2.655360351e+00 -2.655360351e+00 3.28 -2.612325002e+00 -2.612325002e+00 3.30 -2.568799558e+00 -2.568799558e+00 3.32 -2.524982544e+00 -2.524982544e+00 3.34 -2.481053382e+00 -2.481053382e+00 3.36 -2.437167111e+00 -2.437167111e+00 3.38 -2.393450495e+00 -2.393450495e+00 3.40 -2.349999481e+00 -2.349999481e+00 3.42 -2.306885745e+00 -2.306885745e+00 3.44 -2.264152523e+00 -2.264152523e+00 3.46 -2.221825444e+00 -2.221825444e+00 3.48 -2.179916295e+00 -2.179916295e+00 3.50 -2.138440625e+00 -2.138440625e+00 3.52 -2.097412792e+00 -2.097412792e+00 3.54 -2.056802804e+00 -2.056802804e+00 3.56 -2.016582935e+00 -2.016582935e+00 3.58 -1.976729363e+00 -1.976729363e+00 3.60 -1.937221887e+00 -1.937221887e+00 3.62 -1.898043588e+00 -1.898043588e+00 3.64 -1.859180583e+00 -1.859180583e+00 3.66 -1.820622026e+00 -1.820622026e+00 3.68 -1.782360263e+00 -1.782360263e+00 3.70 -1.744380794e+00 -1.744380794e+00 3.72 -1.706646832e+00 -1.706646832e+00 3.74 -1.669131130e+00 -1.669131130e+00 3.76 -1.631822356e+00 -1.631822356e+00 3.78 -1.594726029e+00 -1.594726029e+00 3.80 -1.557865227e+00 -1.557865227e+00 3.82 -1.521280531e+00 -1.521280531e+00 3.84 -1.485028716e+00 -1.485028716e+00 3.86 -1.449179828e+00 -1.449179828e+00 3.88 -1.413812580e+00 -1.413812580e+00 3.90 -1.379008403e+00 -1.379008403e+00 3.92 -1.344843315e+00 -1.344843315e+00 3.94 -1.311388136e+00 -1.311388136e+00 3.96 -1.278693282e+00 -1.278693282e+00 3.98 -1.246792989e+00 -1.246792989e+00 4.00 -1.215702606e+00 -1.215702606e+00 4.02 -1.185419844e+00 -1.185419844e+00 4.04 -1.155927497e+00 -1.155927497e+00 4.06 -1.127196972e+00 -1.127196972e+00 4.08 -1.099191988e+00 -1.099191988e+00 4.10 -1.071868156e+00 -1.071868156e+00 4.12 -1.045191662e+00 -1.045191662e+00 4.14 -1.019116331e+00 -1.019116331e+00 4.16 -9.936026336e-01 -9.936026336e-01 4.18 -9.686138985e-01 -9.686138985e-01 4.20 -9.441167607e-01 -9.441167607e-01 4.22 -9.200813426e-01 -9.200813426e-01 4.24 -8.964812833e-01 -8.964812833e-01 4.26 -8.732937152e-01 -8.732937152e-01 4.28 -8.504992602e-01 -8.504992602e-01 4.30 -8.280820838e-01 -8.280820838e-01 4.32 -8.060300224e-01 -8.060300224e-01 4.34 -7.843347717e-01 -7.843347717e-01 4.36 -7.629920966e-01 -7.629920966e-01 4.38 -7.420020074e-01 -7.420020074e-01 4.40 -7.213688288e-01 -7.213688288e-01 4.42 -7.011010855e-01 -7.011010855e-01 4.44 -6.812111378e-01 -6.812111378e-01 4.46 -6.617145286e-01 -6.617145286e-01 4.48 -6.426290381e-01 -6.426290381e-01 4.50 -6.239734973e-01 -6.239734973e-01 4.52 -6.057664537e-01 -6.057664537e-01 4.54 -5.880248192e-01 -5.880248192e-01 4.56 -5.707626404e-01 -5.707626404e-01 4.58 -5.539901207e-01 -5.539901207e-01 4.60 -5.377129818e-01 -5.377129818e-01 4.62 -5.219322052e-01 -5.219322052e-01 4.64 -5.066441382e-01 -5.066441382e-01 4.66 -4.918409064e-01 -4.918409064e-01 4.68 -4.775110478e-01 -4.775110478e-01 4.70 -4.636402724e-01 -4.636402724e-01 4.72 -4.502122586e-01 -4.502122586e-01 4.74 -4.372094150e-01 -4.372094150e-01 4.76 -4.246135562e-01 -4.246135562e-01 4.78 -4.124064632e-01 -4.124064632e-01 4.80 -4.005668436e-01 -4.005668436e-01 4.82 -3.890851290e-01 -3.890851290e-01 4.84 -3.779409531e-01 -3.779409531e-01 4.86 -3.671191507e-01 -3.671191507e-01 4.88 -3.566055960e-01 -3.566055960e-01 4.90 -3.463871761e-01 -3.463871761e-01 4.92 -3.364517246e-01 -3.364517246e-01 4.94 -3.267879299e-01 -3.267879299e-01 4.96 -3.173852322e-01 -3.173852322e-01 4.98 -3.082337156e-01 -3.082337156e-01 5.00 -2.993240058e-01 -2.993240058e-01 5.02 -2.906471745e-01 -2.906471745e-01 5.04 -2.821946575e-01 -2.821946575e-01 5.06 -2.739581857e-01 -2.739581857e-01 5.08 -2.659297317e-01 -2.659297317e-01 5.10 -2.581014730e-01 -2.581014730e-01 5.12 -2.504657707e-01 -2.504657707e-01 5.14 -2.430151668e-01 -2.430151668e-01 5.16 -2.357423982e-01 -2.357423982e-01 5.18 -2.286404287e-01 -2.286404287e-01 5.20 -2.217025001e-01 -2.217025001e-01 5.22 -2.149222010e-01 -2.149222010e-01 5.24 -2.082935532e-01 -2.082935532e-01 5.26 -2.018111131e-01 -2.018111131e-01 5.28 -1.954700849e-01 -1.954700849e-01 5.30 -1.892664395e-01 -1.892664395e-01 5.32 -1.831970303e-01 -1.831970303e-01 5.34 -1.772596961e-01 -1.772596961e-01 5.36 -1.714533374e-01 -1.714533374e-01 5.38 -1.657779528e-01 -1.657779528e-01 5.40 -1.602346208e-01 -1.602346208e-01 5.42 -1.548254181e-01 -1.548254181e-01 5.44 -1.495532656e-01 -1.495532656e-01 5.46 -1.444217052e-01 -1.444217052e-01 5.48 -1.394346159e-01 -1.394346159e-01 5.50 -1.345958868e-01 -1.345958868e-01 5.52 -1.299090737e-01 -1.299090737e-01 5.54 -1.253770662e-01 -1.253770662e-01 5.56 -1.210017974e-01 -1.210017974e-01 5.58 -1.167840183e-01 -1.167840183e-01 5.60 -1.127231548e-01 -1.127231548e-01 5.62 -1.088172548e-01 -1.088172548e-01 5.64 -1.050630199e-01 -1.050630199e-01 5.66 -1.014559109e-01 -1.014559109e-01 5.68 -9.799030738e-02 -9.799030738e-02 5.70 -9.465970323e-02 -9.465970323e-02 5.72 -9.145691510e-02 -9.145691510e-02 5.74 -8.837428802e-02 -8.837428802e-02 5.76 -8.540386778e-02 -8.540386778e-02 5.78 -8.253759365e-02 -8.253759365e-02 5.80 -7.976743561e-02 -7.976743561e-02 5.82 -7.708548870e-02 -7.708548870e-02 5.84 -7.448405283e-02 -7.448405283e-02 5.86 -7.195566340e-02 -7.195566340e-02 5.88 -6.949316206e-02 -6.949316206e-02 5.90 -6.708975386e-02 -6.708975386e-02 5.92 -6.473898308e-02 -6.473898308e-02 5.94 -6.243474938e-02 -6.243474938e-02 5.96 -6.017132490e-02 -6.017132490e-02 5.98 -5.794337558e-02 -5.794337558e-02 6.00 -5.574598969e-02 -5.574598969e-02