# 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 = AgMgMo2 # 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 3.536477564e+02 3.536477564e+02 1.30 3.276211905e+02 3.276211905e+02 1.32 3.035572358e+02 3.035572358e+02 1.34 2.812921415e+02 2.812921415e+02 1.36 2.606747494e+02 2.606747494e+02 1.38 2.415667321e+02 2.415667321e+02 1.40 2.238430027e+02 2.238430027e+02 1.42 2.073915368e+02 2.073915368e+02 1.44 1.921123649e+02 1.921123649e+02 1.46 1.779160466e+02 1.779160466e+02 1.48 1.647221827e+02 1.647221827e+02 1.50 1.524582561e+02 1.524582561e+02 1.52 1.410586844e+02 1.410586844e+02 1.54 1.304638845e+02 1.304638845e+02 1.56 1.206193262e+02 1.206193262e+02 1.58 1.114746514e+02 1.114746514e+02 1.60 1.029829034e+02 1.029829034e+02 1.62 9.509988671e+01 9.509988671e+01 1.64 8.778369600e+01 8.778369600e+01 1.66 8.099444000e+01 8.099444000e+01 1.68 7.469415814e+01 7.469415814e+01 1.70 6.884687911e+01 6.884687911e+01 1.72 6.342160316e+01 6.342160316e+01 1.74 5.838964181e+01 5.838964181e+01 1.76 5.372114260e+01 5.372114260e+01 1.78 4.938953040e+01 4.938953040e+01 1.80 4.536919021e+01 4.536919021e+01 1.82 4.163649620e+01 4.163649620e+01 1.84 3.817003948e+01 3.817003948e+01 1.86 3.495060012e+01 3.495060012e+01 1.88 3.196099349e+01 3.196099349e+01 1.90 2.918578993e+01 2.918578993e+01 1.92 2.661095809e+01 2.661095809e+01 1.94 2.422351891e+01 2.422351891e+01 1.96 2.201127875e+01 2.201127875e+01 1.98 1.996266715e+01 1.996266715e+01 2.00 1.806665336e+01 1.806665336e+01 2.02 1.631269806e+01 1.631269806e+01 2.04 1.469071194e+01 1.469071194e+01 2.06 1.319101610e+01 1.319101610e+01 2.08 1.180431846e+01 1.180431846e+01 2.10 1.052172599e+01 1.052172599e+01 2.12 9.334802290e+00 9.334802290e+00 2.14 8.235659431e+00 8.235659431e+00 2.16 7.217056576e+00 7.217056576e+00 2.18 6.272470398e+00 6.272470398e+00 2.20 5.396115618e+00 5.396115618e+00 2.22 4.582909035e+00 4.582909035e+00 2.24 3.828391613e+00 3.828391613e+00 2.26 3.128628608e+00 3.128628608e+00 2.28 2.480106744e+00 2.480106744e+00 2.30 1.879643518e+00 1.879643518e+00 2.32 1.324311092e+00 1.324311092e+00 2.34 8.113818271e-01 8.113818271e-01 2.36 3.382880846e-01 3.382880846e-01 2.38 -9.740222290e-02 -9.740222290e-02 2.40 -4.979994737e-01 -4.979994737e-01 2.42 -8.656989279e-01 -8.656989279e-01 2.44 -1.202449021e+00 -1.202449021e+00 2.46 -1.510087240e+00 -1.510087240e+00 2.48 -1.790733114e+00 -1.790733114e+00 2.50 -2.046347540e+00 -2.046347540e+00 2.52 -2.278726319e+00 -2.278726319e+00 2.54 -2.489508559e+00 -2.489508559e+00 2.56 -2.680186870e+00 -2.680186870e+00 2.58 -2.852119920e+00 -2.852119920e+00 2.60 -3.006462572e+00 -3.006462572e+00 2.62 -3.143886666e+00 -3.143886666e+00 2.64 -3.264943878e+00 -3.264943878e+00 2.66 -3.370196153e+00 -3.370196153e+00 2.68 -3.460211661e+00 -3.460211661e+00 2.70 -3.535561015e+00 -3.535561015e+00 2.72 -3.596815932e+00 -3.596815932e+00 2.74 -3.644549967e+00 -3.644549967e+00 2.76 -3.679340743e+00 -3.679340743e+00 2.78 -3.701773145e+00 -3.701773145e+00 2.80 -3.712444307e+00 -3.712444307e+00 2.82 -3.711968962e+00 -3.711968962e+00 2.84 -3.700988134e+00 -3.700988134e+00 2.86 -3.680178813e+00 -3.680178813e+00 2.88 -3.650264392e+00 -3.650264392e+00 2.90 -3.612023714e+00 -3.612023714e+00 2.92 -3.566296196e+00 -3.566296196e+00 2.94 -3.513980379e+00 -3.513980379e+00 2.96 -3.456023939e+00 -3.456023939e+00 2.98 -3.393405320e+00 -3.393405320e+00 3.00 -3.327194423e+00 -3.327194423e+00 3.02 -3.258316599e+00 -3.258316599e+00 3.04 -3.187548071e+00 -3.187548071e+00 3.06 -3.115582418e+00 -3.115582418e+00 3.08 -3.043002600e+00 -3.043002600e+00 3.10 -2.970264461e+00 -2.970264461e+00 3.12 -2.897690390e+00 -2.897690390e+00 3.14 -2.825476043e+00 -2.825476043e+00 3.16 -2.753711078e+00 -2.753711078e+00 3.18 -2.682396017e+00 -2.682396017e+00 3.20 -2.611458164e+00 -2.611458164e+00 3.22 -2.540776201e+00 -2.540776201e+00 3.24 -2.470204122e+00 -2.470204122e+00 3.26 -2.399593142e+00 -2.399593142e+00 3.28 -2.328810793e+00 -2.328810793e+00 3.30 -2.257756843e+00 -2.257756843e+00 3.32 -2.186395024e+00 -2.186395024e+00 3.34 -2.114732634e+00 -2.114732634e+00 3.36 -2.042745430e+00 -2.042745430e+00 3.38 -1.970481093e+00 -1.970481093e+00 3.40 -1.898063914e+00 -1.898063914e+00 3.42 -1.825579644e+00 -1.825579644e+00 3.44 -1.753015837e+00 -1.753015837e+00 3.46 -1.680469804e+00 -1.680469804e+00 3.48 -1.608157682e+00 -1.608157682e+00 3.50 -1.536392147e+00 -1.536392147e+00 3.52 -1.465553091e+00 -1.465553091e+00 3.54 -1.396054457e+00 -1.396054457e+00 3.56 -1.328310991e+00 -1.328310991e+00 3.58 -1.262708443e+00 -1.262708443e+00 3.60 -1.199579972e+00 -1.199579972e+00 3.62 -1.139190255e+00 -1.139190255e+00 3.64 -1.081727579e+00 -1.081727579e+00 3.66 -1.027303148e+00 -1.027303148e+00 3.68 -9.759561164e-01 -9.759561164e-01 3.70 -9.276626036e-01 -9.276626036e-01 3.72 -8.823469254e-01 -8.823469254e-01 3.74 -8.398935560e-01 -8.398935560e-01 3.76 -8.001586764e-01 -8.001586764e-01 3.78 -7.629805459e-01 -7.629805459e-01 3.80 -7.281882655e-01 -7.281882655e-01 3.82 -6.956087680e-01 -6.956087680e-01 3.84 -6.650720588e-01 -6.650720588e-01 3.86 -6.364148630e-01 -6.364148630e-01 3.88 -6.094829100e-01 -6.094829100e-01 3.90 -5.841321341e-01 -5.841321341e-01 3.92 -5.602289685e-01 -5.602289685e-01 3.94 -5.376506689e-01 -5.376506689e-01 3.96 -5.162841678e-01 -5.162841678e-01 3.98 -4.960260204e-01 -4.960260204e-01 4.00 -4.767816822e-01 -4.767816822e-01 4.02 -4.584649520e-01 -4.584649520e-01 4.04 -4.409974631e-01 -4.409974631e-01 4.06 -4.243082212e-01 -4.243082212e-01 4.08 -4.083331848e-01 -4.083331848e-01 4.10 -3.930145112e-01 -3.930145112e-01 4.12 -3.783017730e-01 -3.783017730e-01 4.14 -3.641491829e-01 -3.641491829e-01 4.16 -3.505170714e-01 -3.505170714e-01 4.18 -3.373711796e-01 -3.373711796e-01 4.20 -3.246824313e-01 -3.246824313e-01 4.22 -3.124266900e-01 -3.124266900e-01 4.24 -3.005844714e-01 -3.005844714e-01 4.26 -2.891405761e-01 -2.891405761e-01 4.28 -2.780836123e-01 -2.780836123e-01 4.30 -2.674053933e-01 -2.674053933e-01 4.32 -2.571002087e-01 -2.571002087e-01 4.34 -2.471639981e-01 -2.471639981e-01 4.36 -2.375934755e-01 -2.375934755e-01 4.38 -2.283852661e-01 -2.283852661e-01 4.40 -2.195351229e-01 -2.195351229e-01 4.42 -2.110373211e-01 -2.110373211e-01 4.44 -2.028842426e-01 -2.028842426e-01 4.46 -1.950661677e-01 -1.950661677e-01 4.48 -1.875704922e-01 -1.875704922e-01 4.50 -1.803837141e-01 -1.803837141e-01 4.52 -1.734912307e-01 -1.734912307e-01 4.54 -1.668769817e-01 -1.668769817e-01 4.56 -1.605239688e-01 -1.605239688e-01 4.58 -1.544147375e-01 -1.544147375e-01 4.60 -1.485317934e-01 -1.485317934e-01 4.62 -1.428579446e-01 -1.428579446e-01 4.64 -1.373765725e-01 -1.373765725e-01 4.66 -1.320718386e-01 -1.320718386e-01 4.68 -1.269288433e-01 -1.269288433e-01 4.70 -1.219337504e-01 -1.219337504e-01 4.72 -1.170738916e-01 -1.170738916e-01 4.74 -1.123378627e-01 -1.123378627e-01 4.76 -1.077156194e-01 -1.077156194e-01 4.78 -1.031985772e-01 -1.031985772e-01 4.80 -9.877950803e-02 -9.877950803e-02 4.82 -9.445350519e-02 -9.445350519e-02 4.84 -9.021671292e-02 -9.021671292e-02 4.86 -8.606733180e-02 -8.606733180e-02 4.88 -8.200544848e-02 -8.200544848e-02 4.90 -7.803298048e-02 -7.803298048e-02 4.92 -7.415357399e-02 -7.415357399e-02 4.94 -7.037242230e-02 -7.037242230e-02 4.96 -6.669599573e-02 -6.669599573e-02 4.98 -6.313168716e-02 -6.313168716e-02 5.00 -5.968738758e-02 -5.968738758e-02 5.02 -5.637101629e-02 -5.637101629e-02 5.04 -5.319003738e-02 -5.319003738e-02 5.06 -5.015100451e-02 -5.015100451e-02 5.08 -4.725916229e-02 -4.725916229e-02 5.10 -4.451813868e-02 -4.451813868e-02 5.12 -4.192974991e-02 -4.192974991e-02 5.14 -3.949392563e-02 -3.949392563e-02 5.16 -3.720875029e-02 -3.720875029e-02 5.18 -3.507060537e-02 -3.507060537e-02 5.20 -3.307438702e-02 -3.307438702e-02 5.22 -3.121378215e-02 -3.121378215e-02 5.24 -2.948156743e-02 -2.948156743e-02 5.26 -2.786990980e-02 -2.786990980e-02 5.28 -2.637065000e-02 -2.637065000e-02 5.30 -2.497555528e-02 -2.497555528e-02 5.32 -2.367653286e-02 -2.367653286e-02 5.34 -2.246580028e-02 -2.246580028e-02 5.36 -2.133601220e-02 -2.133601220e-02 5.38 -2.028034619e-02 -2.028034619e-02 5.40 -1.929255097e-02 -1.929255097e-02 5.42 -1.836693522e-02 -1.836693522e-02 5.44 -1.749835899e-02 -1.749835899e-02 5.46 -1.668230106e-02 -1.668230106e-02 5.48 -1.591473292e-02 -1.591473292e-02 5.50 -1.519205910e-02 -1.519205910e-02 5.52 -1.451105643e-02 -1.451105643e-02 5.54 -1.386881330e-02 -1.386881330e-02 5.56 -1.326267329e-02 -1.326267329e-02 5.58 -1.269018599e-02 -1.269018599e-02 5.60 -1.214906687e-02 -1.214906687e-02 5.62 -1.163716682e-02 -1.163716682e-02 5.64 -1.115245082e-02 -1.115245082e-02 5.66 -1.069298452e-02 -1.069298452e-02 5.68 -1.025692690e-02 -1.025692690e-02 5.70 -9.842527273e-03 -9.842527273e-03 5.72 -9.448124668e-03 -9.448124668e-03 5.74 -9.072148377e-03 -9.072148377e-03 5.76 -8.713118408e-03 -8.713118408e-03 5.78 -8.369645271e-03 -8.369645271e-03 5.80 -8.040428759e-03 -8.040428759e-03 5.82 -7.724255676e-03 -7.724255676e-03 5.84 -7.419996676e-03 -7.419996676e-03 5.86 -7.126602478e-03 -7.126602478e-03 5.88 -6.843099792e-03 -6.843099792e-03 5.90 -6.568587280e-03 -6.568587280e-03 5.92 -6.302231896e-03 -6.302231896e-03 5.94 -6.043265849e-03 -6.043265849e-03 5.96 -5.790984453e-03 -5.790984453e-03 5.98 -5.544745012e-03 -5.544745012e-03 6.00 -5.303966863e-03 -5.303966863e-03