# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Beland-L-K-Tamm-A-Mu-S-et-al--Fe-Ni-Cr # implementation = 2017--Beland-L-K--Fe-Ni-Cr--LAMMPS--ipr1 # composition = CrFe2Ni # 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 2022-05-24 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 2.778730896e+02 2.778730896e+02 1.02 2.565506992e+02 2.565506992e+02 1.04 2.370068356e+02 2.370068356e+02 1.06 2.193589512e+02 2.193589512e+02 1.08 2.043720489e+02 2.043720489e+02 1.10 1.927605771e+02 1.927605771e+02 1.12 1.843438564e+02 1.843438564e+02 1.14 1.796168851e+02 1.796168851e+02 1.16 1.780464170e+02 1.780464170e+02 1.18 1.779722759e+02 1.779722759e+02 1.20 1.750048772e+02 1.750048772e+02 1.22 1.685028432e+02 1.685028432e+02 1.24 1.599165353e+02 1.599165353e+02 1.26 1.502171596e+02 1.502171596e+02 1.28 1.400308079e+02 1.400308079e+02 1.30 1.297862932e+02 1.297862932e+02 1.32 1.197271135e+02 1.197271135e+02 1.34 1.098741434e+02 1.098741434e+02 1.36 1.002683613e+02 1.002683613e+02 1.38 9.109399320e+01 9.109399320e+01 1.40 8.256964484e+01 8.256964484e+01 1.42 7.478325722e+01 7.478325722e+01 1.44 6.774901771e+01 6.774901771e+01 1.46 6.141548497e+01 6.141548497e+01 1.48 5.570154298e+01 5.570154298e+01 1.50 5.053536187e+01 5.053536187e+01 1.52 4.586360050e+01 4.586360050e+01 1.54 4.165182967e+01 4.165182967e+01 1.56 3.784550048e+01 3.784550048e+01 1.58 3.437656565e+01 3.437656565e+01 1.60 3.118921967e+01 3.118921967e+01 1.62 2.824063890e+01 2.824063890e+01 1.64 2.550682652e+01 2.550682652e+01 1.66 2.297830088e+01 2.297830088e+01 1.68 2.064397067e+01 2.064397067e+01 1.70 1.848758282e+01 1.848758282e+01 1.72 1.649169003e+01 1.649169003e+01 1.74 1.464216814e+01 1.464216814e+01 1.76 1.292731203e+01 1.292731203e+01 1.78 1.133636821e+01 1.133636821e+01 1.80 9.861063924e+00 9.861063924e+00 1.82 8.495146798e+00 8.495146798e+00 1.84 7.230882602e+00 7.230882602e+00 1.86 6.053357334e+00 6.053357334e+00 1.88 4.946049434e+00 4.946049434e+00 1.90 3.912670597e+00 3.912670597e+00 1.92 2.965198184e+00 2.965198184e+00 1.94 2.110936306e+00 2.110936306e+00 1.96 1.354915720e+00 1.354915720e+00 1.98 6.920823136e-01 6.920823136e-01 2.00 1.082218456e-01 1.082218456e-01 2.02 -4.100585681e-01 -4.100585681e-01 2.04 -8.752614296e-01 -8.752614296e-01 2.06 -1.297973085e+00 -1.297973085e+00 2.08 -1.686502031e+00 -1.686502031e+00 2.10 -2.046106917e+00 -2.046106917e+00 2.12 -2.379099451e+00 -2.379099451e+00 2.14 -2.688191060e+00 -2.688191060e+00 2.16 -2.973225013e+00 -2.973225013e+00 2.18 -3.229746525e+00 -3.229746525e+00 2.20 -3.452450558e+00 -3.452450558e+00 2.22 -3.639231498e+00 -3.639231498e+00 2.24 -3.790405476e+00 -3.790405476e+00 2.26 -3.908338733e+00 -3.908338733e+00 2.28 -3.997215101e+00 -3.997215101e+00 2.30 -4.061885693e+00 -4.061885693e+00 2.32 -4.107422388e+00 -4.107422388e+00 2.34 -4.140286214e+00 -4.140286214e+00 2.36 -4.166306940e+00 -4.166306940e+00 2.38 -4.188053456e+00 -4.188053456e+00 2.40 -4.204776330e+00 -4.204776330e+00 2.42 -4.214683604e+00 -4.214683604e+00 2.44 -4.216599744e+00 -4.216599744e+00 2.46 -4.210519060e+00 -4.210519060e+00 2.48 -4.197169596e+00 -4.197169596e+00 2.50 -4.177306908e+00 -4.177306908e+00 2.52 -4.151632857e+00 -4.151632857e+00 2.54 -4.120817534e+00 -4.120817534e+00 2.56 -4.085513926e+00 -4.085513926e+00 2.58 -4.046339955e+00 -4.046339955e+00 2.60 -4.003779410e+00 -4.003779410e+00 2.62 -3.958256485e+00 -3.958256485e+00 2.64 -3.910194553e+00 -3.910194553e+00 2.66 -3.860039540e+00 -3.860039540e+00 2.68 -3.808255284e+00 -3.808255284e+00 2.70 -3.755298548e+00 -3.755298548e+00 2.72 -3.701548062e+00 -3.701548062e+00 2.74 -3.647276702e+00 -3.647276702e+00 2.76 -3.592622443e+00 -3.592622443e+00 2.78 -3.537712995e+00 -3.537712995e+00 2.80 -3.482686146e+00 -3.482686146e+00 2.82 -3.427695232e+00 -3.427695232e+00 2.84 -3.372912641e+00 -3.372912641e+00 2.86 -3.318530245e+00 -3.318530245e+00 2.88 -3.264748450e+00 -3.264748450e+00 2.90 -3.211758808e+00 -3.211758808e+00 2.92 -3.159668197e+00 -3.159668197e+00 2.94 -3.108530629e+00 -3.108530629e+00 2.96 -3.058383878e+00 -3.058383878e+00 2.98 -3.009120292e+00 -3.009120292e+00 3.00 -2.960557943e+00 -2.960557943e+00 3.02 -2.912505596e+00 -2.912505596e+00 3.04 -2.864765497e+00 -2.864765497e+00 3.06 -2.817124270e+00 -2.817124270e+00 3.08 -2.769346277e+00 -2.769346277e+00 3.10 -2.721147828e+00 -2.721147828e+00 3.12 -2.672187953e+00 -2.672187953e+00 3.14 -2.622096241e+00 -2.622096241e+00 3.16 -2.570478792e+00 -2.570478792e+00 3.18 -2.516962347e+00 -2.516962347e+00 3.20 -2.461288444e+00 -2.461288444e+00 3.22 -2.403322717e+00 -2.403322717e+00 3.24 -2.343210325e+00 -2.343210325e+00 3.26 -2.281489079e+00 -2.281489079e+00 3.28 -2.219119585e+00 -2.219119585e+00 3.30 -2.157409144e+00 -2.157409144e+00 3.32 -2.097709853e+00 -2.097709853e+00 3.34 -2.040968116e+00 -2.040968116e+00 3.36 -1.987402499e+00 -1.987402499e+00 3.38 -1.936542743e+00 -1.936542743e+00 3.40 -1.887541863e+00 -1.887541863e+00 3.42 -1.839550729e+00 -1.839550729e+00 3.44 -1.791952694e+00 -1.791952694e+00 3.46 -1.744428478e+00 -1.744428478e+00 3.48 -1.696915600e+00 -1.696915600e+00 3.50 -1.649459789e+00 -1.649459789e+00 3.52 -1.602101360e+00 -1.602101360e+00 3.54 -1.554865482e+00 -1.554865482e+00 3.56 -1.507758622e+00 -1.507758622e+00 3.58 -1.460763983e+00 -1.460763983e+00 3.60 -1.413836325e+00 -1.413836325e+00 3.62 -1.366896423e+00 -1.366896423e+00 3.64 -1.319826027e+00 -1.319826027e+00 3.66 -1.272465521e+00 -1.272465521e+00 3.68 -1.224617952e+00 -1.224617952e+00 3.70 -1.176065887e+00 -1.176065887e+00 3.72 -1.126610469e+00 -1.126610469e+00 3.74 -1.076150838e+00 -1.076150838e+00 3.76 -1.024800622e+00 -1.024800622e+00 3.78 -9.730145196e-01 -9.730145196e-01 3.80 -9.217040632e-01 -9.217040632e-01 3.82 -8.721965280e-01 -8.721965280e-01 3.84 -8.260857694e-01 -8.260857694e-01 3.86 -7.849324824e-01 -7.849324824e-01 3.88 -7.498010936e-01 -7.498010936e-01 3.90 -7.207633157e-01 -7.207633157e-01 3.92 -6.971528250e-01 -6.971528250e-01 3.94 -6.781770201e-01 -6.781770201e-01 3.96 -6.624223504e-01 -6.624223504e-01 3.98 -6.487343009e-01 -6.487343009e-01 4.00 -6.363609900e-01 -6.363609900e-01 4.02 -6.250330272e-01 -6.250330272e-01 4.04 -6.145396728e-01 -6.145396728e-01 4.06 -6.046792889e-01 -6.046792889e-01 4.08 -5.952745873e-01 -5.952745873e-01 4.10 -5.861615009e-01 -5.861615009e-01 4.12 -5.771918562e-01 -5.771918562e-01 4.14 -5.682327099e-01 -5.682327099e-01 4.16 -5.591720615e-01 -5.591720615e-01 4.18 -5.499480381e-01 -5.499480381e-01 4.20 -5.405223718e-01 -5.405223718e-01 4.22 -5.308633318e-01 -5.308633318e-01 4.24 -5.209418043e-01 -5.209418043e-01 4.26 -5.107736651e-01 -5.107736651e-01 4.28 -5.003743607e-01 -5.003743607e-01 4.30 -4.897823175e-01 -4.897823175e-01 4.32 -4.790504657e-01 -4.790504657e-01 4.34 -4.682140698e-01 -4.682140698e-01 4.36 -4.573051233e-01 -4.573051233e-01 4.38 -4.463471962e-01 -4.463471962e-01 4.40 -4.353554801e-01 -4.353554801e-01 4.42 -4.243322667e-01 -4.243322667e-01 4.44 -4.132723195e-01 -4.132723195e-01 4.46 -4.021816218e-01 -4.021816218e-01 4.48 -3.910581443e-01 -3.910581443e-01 4.50 -3.798911162e-01 -3.798911162e-01 4.52 -3.686604062e-01 -3.686604062e-01 4.54 -3.573231403e-01 -3.573231403e-01 4.56 -3.457065197e-01 -3.457065197e-01 4.58 -3.338229267e-01 -3.338229267e-01 4.60 -3.217676646e-01 -3.217676646e-01 4.62 -3.096849975e-01 -3.096849975e-01 4.64 -2.977985720e-01 -2.977985720e-01 4.66 -2.864161380e-01 -2.864161380e-01 4.68 -2.758899846e-01 -2.758899846e-01 4.70 -2.665345893e-01 -2.665345893e-01 4.72 -2.585329073e-01 -2.585329073e-01 4.74 -2.519844917e-01 -2.519844917e-01 4.76 -2.466186088e-01 -2.466186088e-01 4.78 -2.420347675e-01 -2.420347675e-01 4.80 -2.378704697e-01 -2.378704697e-01 4.82 -2.338450438e-01 -2.338450438e-01 4.84 -2.297705288e-01 -2.297705288e-01 4.86 -2.255428247e-01 -2.255428247e-01 4.88 -2.211174158e-01 -2.211174158e-01 4.90 -2.164713180e-01 -2.164713180e-01 4.92 -2.115904969e-01 -2.115904969e-01 4.94 -2.064674982e-01 -2.064674982e-01 4.96 -2.010994744e-01 -2.010994744e-01 4.98 -1.954864296e-01 -1.954864296e-01 5.00 -1.896296210e-01 -1.896296210e-01 5.02 -1.835292998e-01 -1.835292998e-01 5.04 -1.771495092e-01 -1.771495092e-01 5.06 -1.705121062e-01 -1.705121062e-01 5.08 -1.636629305e-01 -1.636629305e-01 5.10 -1.566330573e-01 -1.566330573e-01 5.12 -1.494395305e-01 -1.494395305e-01 5.14 -1.420858201e-01 -1.420858201e-01 5.16 -1.345621247e-01 -1.345621247e-01 5.18 -1.268457208e-01 -1.268457208e-01 5.20 -1.189017222e-01 -1.189017222e-01 5.22 -1.106848834e-01 -1.106848834e-01 5.24 -1.021434491e-01 -1.021434491e-01 5.26 -9.322656909e-02 -9.322656909e-02 5.28 -8.389720138e-02 -8.389720138e-02 5.30 -7.415233499e-02 -7.415233499e-02 5.32 -6.405074369e-02 -6.405074369e-02 5.34 -5.374410235e-02 -5.374410235e-02 5.36 -4.349971412e-02 -4.349971412e-02 5.38 -3.369557473e-02 -3.369557473e-02 5.40 -2.476990138e-02 -2.476990138e-02 5.42 -1.712659711e-02 -1.712659711e-02 5.44 -1.102975677e-02 -1.102975677e-02 5.46 -6.537578691e-03 -6.537578691e-03 5.48 -3.506840551e-03 -3.506840551e-03 5.50 -1.657429026e-03 -1.657429026e-03 5.52 -6.585422664e-04 -6.585422664e-04 5.54 -2.007466290e-04 -2.007466290e-04 5.56 -3.805242973e-05 -3.805242973e-05 5.58 -2.278156685e-06 -2.278156685e-06 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00