# 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 = FeMgNi2 # 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 1.986163760e+02 1.986163760e+02 1.30 1.823215943e+02 1.823215943e+02 1.32 1.673511180e+02 1.673511180e+02 1.34 1.535851522e+02 1.535851522e+02 1.36 1.409181921e+02 1.409181921e+02 1.38 1.292586853e+02 1.292586853e+02 1.40 1.185262388e+02 1.185262388e+02 1.42 1.086485975e+02 1.086485975e+02 1.44 9.955958228e+01 9.955958228e+01 1.46 9.119784821e+01 9.119784821e+01 1.48 8.350610864e+01 8.350610864e+01 1.50 7.643074448e+01 7.643074448e+01 1.52 6.992185706e+01 6.992185706e+01 1.54 6.393354429e+01 6.393354429e+01 1.56 5.842390790e+01 5.842390790e+01 1.58 5.335459256e+01 5.335459256e+01 1.60 4.869019984e+01 4.869019984e+01 1.62 4.439807592e+01 4.439807592e+01 1.64 4.044855580e+01 4.044855580e+01 1.66 3.681463527e+01 3.681463527e+01 1.68 3.347153573e+01 3.347153573e+01 1.70 3.039627080e+01 3.039627080e+01 1.72 2.756730205e+01 2.756730205e+01 1.74 2.496437712e+01 2.496437712e+01 1.76 2.256856835e+01 2.256856835e+01 1.78 2.036245239e+01 2.036245239e+01 1.80 1.833029769e+01 1.833029769e+01 1.82 1.645813818e+01 1.645813818e+01 1.84 1.473366704e+01 1.473366704e+01 1.86 1.314597720e+01 1.314597720e+01 1.88 1.168522314e+01 1.168522314e+01 1.90 1.034230886e+01 1.034230886e+01 1.92 9.108664872e+00 9.108664872e+00 1.94 7.976131388e+00 7.976131388e+00 1.96 6.936929610e+00 6.936929610e+00 1.98 5.983692514e+00 5.983692514e+00 2.00 5.109516800e+00 5.109516800e+00 2.02 4.308005653e+00 4.308005653e+00 2.04 3.573290818e+00 3.573290818e+00 2.06 2.900034293e+00 2.900034293e+00 2.08 2.283412476e+00 2.283412476e+00 2.10 1.719085124e+00 1.719085124e+00 2.12 1.203150211e+00 1.203150211e+00 2.14 7.320874999e-01 7.320874999e-01 2.16 3.026957281e-01 3.026957281e-01 2.18 -8.797350398e-02 -8.797350398e-02 2.20 -4.426774681e-01 -4.426774681e-01 2.22 -7.640344597e-01 -7.640344597e-01 2.24 -1.054558095e+00 -1.054558095e+00 2.26 -1.316673363e+00 -1.316673363e+00 2.28 -1.552720781e+00 -1.552720781e+00 2.30 -1.764953663e+00 -1.764953663e+00 2.32 -1.955535078e+00 -1.955535078e+00 2.34 -2.126522587e+00 -2.126522587e+00 2.36 -2.279836304e+00 -2.279836304e+00 2.38 -2.417213220e+00 -2.417213220e+00 2.40 -2.540174105e+00 -2.540174105e+00 2.42 -2.650007381e+00 -2.650007381e+00 2.44 -2.747784808e+00 -2.747784808e+00 2.46 -2.834402943e+00 -2.834402943e+00 2.48 -2.910629340e+00 -2.910629340e+00 2.50 -2.976965459e+00 -2.976965459e+00 2.52 -3.033673687e+00 -3.033673687e+00 2.54 -3.081059998e+00 -3.081059998e+00 2.56 -3.119482856e+00 -3.119482856e+00 2.58 -3.149340597e+00 -3.149340597e+00 2.60 -3.171059357e+00 -3.171059357e+00 2.62 -3.185083843e+00 -3.185083843e+00 2.64 -3.191862575e+00 -3.191862575e+00 2.66 -3.191766290e+00 -3.191766290e+00 2.68 -3.185158415e+00 -3.185158415e+00 2.70 -3.172453165e+00 -3.172453165e+00 2.72 -3.154113278e+00 -3.154113278e+00 2.74 -3.130641769e+00 -3.130641769e+00 2.76 -3.102565942e+00 -3.102565942e+00 2.78 -3.070414394e+00 -3.070414394e+00 2.80 -3.034692183e+00 -3.034692183e+00 2.82 -2.995858375e+00 -2.995858375e+00 2.84 -2.954313622e+00 -2.954313622e+00 2.86 -2.910397248e+00 -2.910397248e+00 2.88 -2.864392820e+00 -2.864392820e+00 2.90 -2.816538221e+00 -2.816538221e+00 2.92 -2.767036495e+00 -2.767036495e+00 2.94 -2.716065132e+00 -2.716065132e+00 2.96 -2.663805768e+00 -2.663805768e+00 2.98 -2.610389821e+00 -2.610389821e+00 3.00 -2.555918956e+00 -2.555918956e+00 3.02 -2.500495726e+00 -2.500495726e+00 3.04 -2.444222642e+00 -2.444222642e+00 3.06 -2.387203117e+00 -2.387203117e+00 3.08 -2.329541130e+00 -2.329541130e+00 3.10 -2.271328996e+00 -2.271328996e+00 3.12 -2.212638939e+00 -2.212638939e+00 3.14 -2.153562493e+00 -2.153562493e+00 3.16 -2.094212747e+00 -2.094212747e+00 3.18 -2.034724508e+00 -2.034724508e+00 3.20 -1.975252724e+00 -1.975252724e+00 3.22 -1.915970352e+00 -1.915970352e+00 3.24 -1.857064985e+00 -1.857064985e+00 3.26 -1.798734048e+00 -1.798734048e+00 3.28 -1.741178503e+00 -1.741178503e+00 3.30 -1.684595308e+00 -1.684595308e+00 3.32 -1.629169194e+00 -1.629169194e+00 3.34 -1.575064575e+00 -1.575064575e+00 3.36 -1.522418580e+00 -1.522418580e+00 3.38 -1.471336061e+00 -1.471336061e+00 3.40 -1.421887068e+00 -1.421887068e+00 3.42 -1.374107205e+00 -1.374107205e+00 3.44 -1.327999742e+00 -1.327999742e+00 3.46 -1.283539981e+00 -1.283539981e+00 3.48 -1.240680313e+00 -1.240680313e+00 3.50 -1.199355657e+00 -1.199355657e+00 3.52 -1.159488709e+00 -1.159488709e+00 3.54 -1.120994650e+00 -1.120994650e+00 3.56 -1.083785121e+00 -1.083785121e+00 3.58 -1.047771419e+00 -1.047771419e+00 3.60 -1.012866959e+00 -1.012866959e+00 3.62 -9.789891126e-01 -9.789891126e-01 3.64 -9.460605666e-01 -9.460605666e-01 3.66 -9.140103819e-01 -9.140103819e-01 3.68 -8.827748954e-01 -8.827748954e-01 3.70 -8.522986075e-01 -8.522986075e-01 3.72 -8.225351335e-01 -8.225351335e-01 3.74 -7.934482346e-01 -7.934482346e-01 3.76 -7.650128552e-01 -7.650128552e-01 3.78 -7.372160011e-01 -7.372160011e-01 3.80 -7.100572119e-01 -7.100572119e-01 3.82 -6.835483350e-01 -6.835483350e-01 3.84 -6.577123327e-01 -6.577123327e-01 3.86 -6.325809573e-01 -6.325809573e-01 3.88 -6.081913232e-01 -6.081913232e-01 3.90 -5.845816412e-01 -5.845816412e-01 3.92 -5.617864843e-01 -5.617864843e-01 3.94 -5.398329361e-01 -5.398329361e-01 3.96 -5.187363244e-01 -5.187363244e-01 3.98 -4.984986096e-01 -4.984986096e-01 4.00 -4.791075553e-01 -4.791075553e-01 4.02 -4.605374369e-01 -4.605374369e-01 4.04 -4.427508268e-01 -4.427508268e-01 4.06 -4.257010323e-01 -4.257010323e-01 4.08 -4.093347655e-01 -4.093347655e-01 4.10 -3.935944099e-01 -3.935944099e-01 4.12 -3.784215099e-01 -3.784215099e-01 4.14 -3.637566095e-01 -3.637566095e-01 4.16 -3.495420509e-01 -3.495420509e-01 4.18 -3.357226475e-01 -3.357226475e-01 4.20 -3.222464812e-01 -3.222464812e-01 4.22 -3.090655619e-01 -3.090655619e-01 4.24 -2.961364501e-01 -2.961364501e-01 4.26 -2.834209247e-01 -2.834209247e-01 4.28 -2.708867482e-01 -2.708867482e-01 4.30 -2.585085426e-01 -2.585085426e-01 4.32 -2.462687522e-01 -2.462687522e-01 4.34 -2.341586220e-01 -2.341586220e-01 4.36 -2.221790761e-01 -2.221790761e-01 4.38 -2.103413435e-01 -2.103413435e-01 4.40 -1.986671589e-01 -1.986671589e-01 4.42 -1.871883658e-01 -1.871883658e-01 4.44 -1.759457945e-01 -1.759457945e-01 4.46 -1.649873607e-01 -1.649873607e-01 4.48 -1.543654400e-01 -1.543654400e-01 4.50 -1.441336967e-01 -1.441336967e-01 4.52 -1.343436507e-01 -1.343436507e-01 4.54 -1.250413400e-01 -1.250413400e-01 4.56 -1.162644350e-01 -1.162644350e-01 4.58 -1.080401066e-01 -1.080401066e-01 4.60 -1.003838325e-01 -1.003838325e-01 4.62 -9.329918551e-02 -9.329918551e-02 4.64 -8.677851993e-02 -8.677851993e-02 4.66 -8.080434396e-02 -8.080434396e-02 4.68 -7.535115113e-02 -7.535115113e-02 4.70 -7.038748253e-02 -7.038748253e-02 4.72 -6.587792218e-02 -6.587792218e-02 4.74 -6.178398690e-02 -6.178398690e-02 4.76 -5.806815837e-02 -5.806815837e-02 4.78 -5.469397459e-02 -5.469397459e-02 4.80 -5.162602396e-02 -5.162602396e-02 4.82 -4.883162267e-02 -4.883162267e-02 4.84 -4.627995035e-02 -4.627995035e-02 4.86 -4.394323355e-02 -4.394323355e-02 4.88 -4.179654523e-02 -4.179654523e-02 4.90 -3.981772691e-02 -3.981772691e-02 4.92 -3.798722820e-02 -3.798722820e-02 4.94 -3.628786062e-02 -3.628786062e-02 4.96 -3.470457775e-02 -3.470457775e-02 4.98 -3.322437237e-02 -3.322437237e-02 5.00 -3.183593172e-02 -3.183593172e-02 5.02 -3.052942304e-02 -3.052942304e-02 5.04 -2.929630096e-02 -2.929630096e-02 5.06 -2.812913404e-02 -2.812913404e-02 5.08 -2.702145087e-02 -2.702145087e-02 5.10 -2.596760565e-02 -2.596760565e-02 5.12 -2.496266206e-02 -2.496266206e-02 5.14 -2.400229409e-02 -2.400229409e-02 5.16 -2.308270242e-02 -2.308270242e-02 5.18 -2.220054468e-02 -2.220054468e-02 5.20 -2.135287825e-02 -2.135287825e-02 5.22 -2.053711398e-02 -2.053711398e-02 5.24 -1.975097942e-02 -1.975097942e-02 5.26 -1.899249026e-02 -1.899249026e-02 5.28 -1.825992824e-02 -1.825992824e-02 5.30 -1.755182413e-02 -1.755182413e-02 5.32 -1.686694401e-02 -1.686694401e-02 5.34 -1.620427639e-02 -1.620427639e-02 5.36 -1.556299205e-02 -1.556299205e-02 5.38 -1.494247565e-02 -1.494247565e-02 5.40 -1.434230639e-02 -1.434230639e-02 5.42 -1.376221518e-02 -1.376221518e-02 5.44 -1.320205561e-02 -1.320205561e-02 5.46 -1.266176987e-02 -1.266176987e-02 5.48 -1.214135094e-02 -1.214135094e-02 5.50 -1.164080302e-02 -1.164080302e-02 5.52 -1.116010305e-02 -1.116010305e-02 5.54 -1.069916605e-02 -1.069916605e-02 5.56 -1.025781706e-02 -1.025781706e-02 5.58 -9.835771497e-03 -9.835771497e-03 5.60 -9.432625016e-03 -9.432625016e-03 5.62 -9.047852814e-03 -9.047852814e-03 5.64 -8.680817322e-03 -8.680817322e-03 5.66 -8.330782536e-03 -8.330782536e-03 5.68 -7.996932809e-03 -7.996932809e-03 5.70 -7.678393913e-03 -7.678393913e-03 5.72 -7.374254349e-03 -7.374254349e-03 5.74 -7.083585342e-03 -7.083585342e-03 5.76 -6.805458431e-03 -6.805458431e-03 5.78 -6.538960034e-03 -6.538960034e-03 5.80 -6.283202836e-03 -6.283202836e-03 5.82 -6.037334116e-03 -6.037334116e-03 5.84 -5.800541394e-03 -5.800541394e-03 5.86 -5.572055874e-03 -5.572055874e-03 5.88 -5.351154219e-03 -5.351154219e-03 5.90 -5.137159188e-03 -5.137159188e-03 5.92 -4.929439612e-03 -4.929439612e-03 5.94 -4.727410136e-03 -4.727410136e-03 5.96 -4.530531075e-03 -4.530531075e-03 5.98 -4.338308658e-03 -4.338308658e-03 6.00 -4.150295848e-03 -4.150295848e-03