# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb2TiZr # 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 2025-12-17 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 3.190539798e+03 3.190539798e+03 1.08 2.793712688e+03 2.793712688e+03 1.10 2.447057702e+03 2.447057702e+03 1.12 2.144251293e+03 2.144251293e+03 1.14 1.878850053e+03 1.878850053e+03 1.16 1.646743446e+03 1.646743446e+03 1.18 1.444170541e+03 1.444170541e+03 1.20 1.266450964e+03 1.266450964e+03 1.22 1.110531022e+03 1.110531022e+03 1.24 9.739620476e+02 9.739620476e+02 1.26 8.543633129e+02 8.543633129e+02 1.28 7.495645093e+02 7.495645093e+02 1.30 6.576986574e+02 6.576986574e+02 1.32 5.771371861e+02 5.771371861e+02 1.34 5.063194585e+02 5.063194585e+02 1.36 4.440005330e+02 4.440005330e+02 1.38 3.895261392e+02 3.895261392e+02 1.40 3.417681382e+02 3.417681382e+02 1.42 2.996982444e+02 2.996982444e+02 1.44 2.627556743e+02 2.627556743e+02 1.46 2.302499472e+02 2.302499472e+02 1.48 2.019156949e+02 2.019156949e+02 1.50 1.770683675e+02 1.770683675e+02 1.52 1.553296655e+02 1.553296655e+02 1.54 1.363261305e+02 1.363261305e+02 1.56 1.196231835e+02 1.196231835e+02 1.58 1.049303867e+02 1.049303867e+02 1.60 9.204806150e+01 9.204806150e+01 1.62 8.081705154e+01 8.081705154e+01 1.64 7.099370109e+01 7.099370109e+01 1.66 6.232695231e+01 6.232695231e+01 1.68 5.462241152e+01 5.462241152e+01 1.70 4.783526247e+01 4.783526247e+01 1.72 4.196500661e+01 4.196500661e+01 1.74 3.684549855e+01 3.684549855e+01 1.76 3.227098289e+01 3.227098289e+01 1.78 2.821438131e+01 2.821438131e+01 1.80 2.467731711e+01 2.467731711e+01 1.82 2.151942662e+01 2.151942662e+01 1.84 1.869521978e+01 1.869521978e+01 1.86 1.618196739e+01 1.618196739e+01 1.88 1.395114934e+01 1.395114934e+01 1.90 1.198975212e+01 1.198975212e+01 1.92 1.029050824e+01 1.029050824e+01 1.94 8.834204678e+00 8.834204678e+00 1.96 7.557742038e+00 7.557742038e+00 1.98 6.443645796e+00 6.443645796e+00 2.00 5.404157773e+00 5.404157773e+00 2.02 4.474661547e+00 4.474661547e+00 2.04 3.709482971e+00 3.709482971e+00 2.06 3.069240015e+00 3.069240015e+00 2.08 2.482199608e+00 2.482199608e+00 2.10 1.954092315e+00 1.954092315e+00 2.12 1.482179494e+00 1.482179494e+00 2.14 1.064678597e+00 1.064678597e+00 2.16 6.916608639e-01 6.916608639e-01 2.18 3.445519983e-01 3.445519983e-01 2.20 -2.219417404e-01 -2.219417404e-01 2.22 -7.448397813e-01 -7.448397813e-01 2.24 -1.180711373e+00 -1.180711373e+00 2.26 -1.572600790e+00 -1.572600790e+00 2.28 -1.906815541e+00 -1.906815541e+00 2.30 -2.186796259e+00 -2.186796259e+00 2.32 -2.419023889e+00 -2.419023889e+00 2.34 -2.632280022e+00 -2.632280022e+00 2.36 -2.865034277e+00 -2.865034277e+00 2.38 -3.130103639e+00 -3.130103639e+00 2.40 -3.397208389e+00 -3.397208389e+00 2.42 -3.636807841e+00 -3.636807841e+00 2.44 -3.849489524e+00 -3.849489524e+00 2.46 -4.057434313e+00 -4.057434313e+00 2.48 -4.271839708e+00 -4.271839708e+00 2.50 -4.478392441e+00 -4.478392441e+00 2.52 -4.683059295e+00 -4.683059295e+00 2.54 -4.878524092e+00 -4.878524092e+00 2.56 -5.061209837e+00 -5.061209837e+00 2.58 -5.229973001e+00 -5.229973001e+00 2.60 -5.403055138e+00 -5.403055138e+00 2.62 -5.585775049e+00 -5.585775049e+00 2.64 -5.761568214e+00 -5.761568214e+00 2.66 -5.917633986e+00 -5.917633986e+00 2.68 -6.042606048e+00 -6.042606048e+00 2.70 -6.131259519e+00 -6.131259519e+00 2.72 -6.195208396e+00 -6.195208396e+00 2.74 -6.245767810e+00 -6.245767810e+00 2.76 -6.300037832e+00 -6.300037832e+00 2.78 -6.359014932e+00 -6.359014932e+00 2.80 -6.412936122e+00 -6.412936122e+00 2.82 -6.455056866e+00 -6.455056866e+00 2.84 -6.481599911e+00 -6.481599911e+00 2.86 -6.493722460e+00 -6.493722460e+00 2.88 -6.495692515e+00 -6.495692515e+00 2.90 -6.496511109e+00 -6.496511109e+00 2.92 -6.494642292e+00 -6.494642292e+00 2.94 -6.482028993e+00 -6.482028993e+00 2.96 -6.465246454e+00 -6.465246454e+00 2.98 -6.439811064e+00 -6.439811064e+00 3.00 -6.405090733e+00 -6.405090733e+00 3.02 -6.373977461e+00 -6.373977461e+00 3.04 -6.346779769e+00 -6.346779769e+00 3.06 -6.319752348e+00 -6.319752348e+00 3.08 -6.288718510e+00 -6.288718510e+00 3.10 -6.253958147e+00 -6.253958147e+00 3.12 -6.214013958e+00 -6.214013958e+00 3.14 -6.172047102e+00 -6.172047102e+00 3.16 -6.127702426e+00 -6.127702426e+00 3.18 -6.062616826e+00 -6.062616826e+00 3.20 -5.978079243e+00 -5.978079243e+00 3.22 -5.896754023e+00 -5.896754023e+00 3.24 -5.846663353e+00 -5.846663353e+00 3.26 -5.818527378e+00 -5.818527378e+00 3.28 -5.794525214e+00 -5.794525214e+00 3.30 -5.767210844e+00 -5.767210844e+00 3.32 -5.730046353e+00 -5.730046353e+00 3.34 -5.679016423e+00 -5.679016423e+00 3.36 -5.612524444e+00 -5.612524444e+00 3.38 -5.530816449e+00 -5.530816449e+00 3.40 -5.436936745e+00 -5.436936745e+00 3.42 -5.335693308e+00 -5.335693308e+00 3.44 -5.227376944e+00 -5.227376944e+00 3.46 -5.115475420e+00 -5.115475420e+00 3.48 -5.002073606e+00 -5.002073606e+00 3.50 -4.885474472e+00 -4.885474472e+00 3.52 -4.776034960e+00 -4.776034960e+00 3.54 -4.681971144e+00 -4.681971144e+00 3.56 -4.604028172e+00 -4.604028172e+00 3.58 -4.539578817e+00 -4.539578817e+00 3.60 -4.483238891e+00 -4.483238891e+00 3.62 -4.429543658e+00 -4.429543658e+00 3.64 -4.373442985e+00 -4.373442985e+00 3.66 -4.313856728e+00 -4.313856728e+00 3.68 -4.252111028e+00 -4.252111028e+00 3.70 -4.188481028e+00 -4.188481028e+00 3.72 -4.122778603e+00 -4.122778603e+00 3.74 -4.055353459e+00 -4.055353459e+00 3.76 -3.987314664e+00 -3.987314664e+00 3.78 -3.919652051e+00 -3.919652051e+00 3.80 -3.853121620e+00 -3.853121620e+00 3.82 -3.780799736e+00 -3.780799736e+00 3.84 -3.699182000e+00 -3.699182000e+00 3.86 -3.607732645e+00 -3.607732645e+00 3.88 -3.504781237e+00 -3.504781237e+00 3.90 -3.387336817e+00 -3.387336817e+00 3.92 -3.252149278e+00 -3.252149278e+00 3.94 -3.109294660e+00 -3.109294660e+00 3.96 -2.985299868e+00 -2.985299868e+00 3.98 -2.887465206e+00 -2.887465206e+00 4.00 -2.792377244e+00 -2.792377244e+00 4.02 -2.688753401e+00 -2.688753401e+00 4.04 -2.588222040e+00 -2.588222040e+00 4.06 -2.500944787e+00 -2.500944787e+00 4.08 -2.427264041e+00 -2.427264041e+00 4.10 -2.363856813e+00 -2.363856813e+00 4.12 -2.308951755e+00 -2.308951755e+00 4.14 -2.261448991e+00 -2.261448991e+00 4.16 -2.220155465e+00 -2.220155465e+00 4.18 -2.183654630e+00 -2.183654630e+00 4.20 -2.150553162e+00 -2.150553162e+00 4.22 -2.120783496e+00 -2.120783496e+00 4.24 -2.094255910e+00 -2.094255910e+00 4.26 -2.070479346e+00 -2.070479346e+00 4.28 -2.048939491e+00 -2.048939491e+00 4.30 -2.029042022e+00 -2.029042022e+00 4.32 -2.010119644e+00 -2.010119644e+00 4.34 -1.991599948e+00 -1.991599948e+00 4.36 -1.973458422e+00 -1.973458422e+00 4.38 -1.955872511e+00 -1.955872511e+00 4.40 -1.939093565e+00 -1.939093565e+00 4.42 -1.923473528e+00 -1.923473528e+00 4.44 -1.909472797e+00 -1.909472797e+00 4.46 -1.897396718e+00 -1.897396718e+00 4.48 -1.886815886e+00 -1.886815886e+00 4.50 -1.876978195e+00 -1.876978195e+00 4.52 -1.867037936e+00 -1.867037936e+00 4.54 -1.856072655e+00 -1.856072655e+00 4.56 -1.843083381e+00 -1.843083381e+00 4.58 -1.827187476e+00 -1.827187476e+00 4.60 -1.807772776e+00 -1.807772776e+00 4.62 -1.784552455e+00 -1.784552455e+00 4.64 -1.757619616e+00 -1.757619616e+00 4.66 -1.727241524e+00 -1.727241524e+00 4.68 -1.693792546e+00 -1.693792546e+00 4.70 -1.657718931e+00 -1.657718931e+00 4.72 -1.619479811e+00 -1.619479811e+00 4.74 -1.579487397e+00 -1.579487397e+00 4.76 -1.538165784e+00 -1.538165784e+00 4.78 -1.495947516e+00 -1.495947516e+00 4.80 -1.453287218e+00 -1.453287218e+00 4.82 -1.410607254e+00 -1.410607254e+00 4.84 -1.368383008e+00 -1.368383008e+00 4.86 -1.327230112e+00 -1.327230112e+00 4.88 -1.287706552e+00 -1.287706552e+00 4.90 -1.249987281e+00 -1.249987281e+00 4.92 -1.214291477e+00 -1.214291477e+00 4.94 -1.181331753e+00 -1.181331753e+00 4.96 -1.151134070e+00 -1.151134070e+00 4.98 -1.123059953e+00 -1.123059953e+00 5.00 -1.096932002e+00 -1.096932002e+00 5.02 -1.073371641e+00 -1.073371641e+00 5.04 -1.053356911e+00 -1.053356911e+00 5.06 -1.036623944e+00 -1.036623944e+00 5.08 -1.022291827e+00 -1.022291827e+00 5.10 -1.009197944e+00 -1.009197944e+00 5.12 -9.959557882e-01 -9.959557882e-01 5.14 -9.809650644e-01 -9.809650644e-01 5.16 -9.630534676e-01 -9.630534676e-01 5.18 -9.422026572e-01 -9.422026572e-01 5.20 -9.186074879e-01 -9.186074879e-01 5.22 -8.926284324e-01 -8.926284324e-01 5.24 -8.649039693e-01 -8.649039693e-01 5.26 -8.364527578e-01 -8.364527578e-01 5.28 -8.087962905e-01 -8.087962905e-01 5.30 -7.833287858e-01 -7.833287858e-01 5.32 -7.614800208e-01 -7.614800208e-01 5.34 -7.447633554e-01 -7.447633554e-01 5.36 -7.346645631e-01 -7.346645631e-01 5.38 -7.304484567e-01 -7.304484567e-01 5.40 -7.251438358e-01 -7.251438358e-01 5.42 -7.176999020e-01 -7.176999020e-01 5.44 -7.081979790e-01 -7.081979790e-01 5.46 -6.967574182e-01 -6.967574182e-01 5.48 -6.834945093e-01 -6.834945093e-01 5.50 -6.685235575e-01 -6.685235575e-01 5.52 -6.519584345e-01 -6.519584345e-01 5.54 -6.339019029e-01 -6.339019029e-01 5.56 -6.143286009e-01 -6.143286009e-01 5.58 -5.931259679e-01 -5.931259679e-01 5.60 -5.701727467e-01 -5.701727467e-01 5.62 -5.453400430e-01 -5.453400430e-01 5.64 -5.184919998e-01 -5.184919998e-01 5.66 -4.894932728e-01 -4.894932728e-01 5.68 -4.582352071e-01 -4.582352071e-01 5.70 -4.254942054e-01 -4.254942054e-01 5.72 -3.926180924e-01 -3.926180924e-01 5.74 -3.604735397e-01 -3.604735397e-01 5.76 -3.298794889e-01 -3.298794889e-01 5.78 -3.017366434e-01 -3.017366434e-01 5.80 -2.769386099e-01 -2.769386099e-01 5.82 -2.560666287e-01 -2.560666287e-01 5.84 -2.390929082e-01 -2.390929082e-01 5.86 -2.259612715e-01 -2.259612715e-01 5.88 -2.166848572e-01 -2.166848572e-01 5.90 -2.113300151e-01 -2.113300151e-01 5.92 -2.099339972e-01 -2.099339972e-01 5.94 -2.126166835e-01 -2.126166835e-01 5.96 -2.182356092e-01 -2.182356092e-01 5.98 -2.245528993e-01 -2.245528993e-01 6.00 -2.293108885e-01 -2.293108885e-01