# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Bonny-G-Bakaev-A-Olsson-P-et-al--Fe-Cr-Ni # implementation = 2017--Bonny-G--Fe-Cr-Ni--LAMMPS--ipr1 # composition = CrFeNi2 # 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 2024-01-04 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 1.131445800e+03 1.131445800e+03 0.98 1.048624679e+03 1.048624679e+03 1.00 9.725598907e+02 9.725598907e+02 1.02 9.025936244e+02 9.025936244e+02 1.04 8.381509311e+02 8.381509311e+02 1.06 7.787038526e+02 7.787038526e+02 1.08 7.237886734e+02 7.237886734e+02 1.10 6.729891598e+02 6.729891598e+02 1.12 6.259393587e+02 6.259393587e+02 1.14 5.822889926e+02 5.822889926e+02 1.16 5.417060075e+02 5.417060075e+02 1.18 5.038970068e+02 5.038970068e+02 1.20 4.686045381e+02 4.686045381e+02 1.22 4.355919132e+02 4.355919132e+02 1.24 4.046798075e+02 4.046798075e+02 1.26 3.757172330e+02 3.757172330e+02 1.28 3.485983453e+02 3.485983453e+02 1.30 3.232229772e+02 3.232229772e+02 1.32 2.992720638e+02 2.992720638e+02 1.34 2.768649823e+02 2.768649823e+02 1.36 2.559032016e+02 2.559032016e+02 1.38 2.362836592e+02 2.362836592e+02 1.40 2.178991519e+02 2.178991519e+02 1.42 2.006490662e+02 2.006490662e+02 1.44 1.844622807e+02 1.844622807e+02 1.46 1.692884487e+02 1.692884487e+02 1.48 1.550773167e+02 1.550773167e+02 1.50 1.417814062e+02 1.417814062e+02 1.52 1.293466338e+02 1.293466338e+02 1.54 1.177400419e+02 1.177400419e+02 1.56 1.069207036e+02 1.069207036e+02 1.58 9.685006052e+01 9.685006052e+01 1.60 8.748844889e+01 8.748844889e+01 1.62 7.879604536e+01 7.879604536e+01 1.64 7.073846529e+01 7.073846529e+01 1.66 6.327991605e+01 6.327991605e+01 1.68 5.638708596e+01 5.638708596e+01 1.70 5.003909410e+01 5.003909410e+01 1.72 4.420661565e+01 4.420661565e+01 1.74 3.887338673e+01 3.887338673e+01 1.76 3.404587825e+01 3.404587825e+01 1.78 2.968622699e+01 2.968622699e+01 1.80 2.575697823e+01 2.575697823e+01 1.82 2.222272515e+01 2.222272515e+01 1.84 1.904977065e+01 1.904977065e+01 1.86 1.620538696e+01 1.620538696e+01 1.88 1.365852151e+01 1.365852151e+01 1.90 1.138548747e+01 1.138548747e+01 1.92 9.364738248e+00 9.364738248e+00 1.94 7.574380442e+00 7.574380442e+00 1.96 5.992061927e+00 5.992061927e+00 1.98 4.595005688e+00 4.595005688e+00 2.00 3.360186298e+00 3.360186298e+00 2.02 2.268315046e+00 2.268315046e+00 2.04 1.306730240e+00 1.306730240e+00 2.06 4.635328471e-01 4.635328471e-01 2.08 -2.722333128e-01 -2.722333128e-01 2.10 -9.100178318e-01 -9.100178318e-01 2.12 -1.458650674e+00 -1.458650674e+00 2.14 -1.926686861e+00 -1.926686861e+00 2.16 -2.322499058e+00 -2.322499058e+00 2.18 -2.654310129e+00 -2.654310129e+00 2.20 -2.929831243e+00 -2.929831243e+00 2.22 -3.156504346e+00 -3.156504346e+00 2.24 -3.341393343e+00 -3.341393343e+00 2.26 -3.491243435e+00 -3.491243435e+00 2.28 -3.612503844e+00 -3.612503844e+00 2.30 -3.711583384e+00 -3.711583384e+00 2.32 -3.794076873e+00 -3.794076873e+00 2.34 -3.862359716e+00 -3.862359716e+00 2.36 -3.917665080e+00 -3.917665080e+00 2.38 -3.961042050e+00 -3.961042050e+00 2.40 -3.993427957e+00 -3.993427957e+00 2.42 -4.015644013e+00 -4.015644013e+00 2.44 -4.028409738e+00 -4.028409738e+00 2.46 -4.032356910e+00 -4.032356910e+00 2.48 -4.028030563e+00 -4.028030563e+00 2.50 -4.015881683e+00 -4.015881683e+00 2.52 -3.996252068e+00 -3.996252068e+00 2.54 -3.969381912e+00 -3.969381912e+00 2.56 -3.935512676e+00 -3.935512676e+00 2.58 -3.895012008e+00 -3.895012008e+00 2.60 -3.848319484e+00 -3.848319484e+00 2.62 -3.795921502e+00 -3.795921502e+00 2.64 -3.738377697e+00 -3.738377697e+00 2.66 -3.676314307e+00 -3.676314307e+00 2.68 -3.610409304e+00 -3.610409304e+00 2.70 -3.541371822e+00 -3.541371822e+00 2.72 -3.469915464e+00 -3.469915464e+00 2.74 -3.396727953e+00 -3.396727953e+00 2.76 -3.322438839e+00 -3.322438839e+00 2.78 -3.247586879e+00 -3.247586879e+00 2.80 -3.172589110e+00 -3.172589110e+00 2.82 -3.097759601e+00 -3.097759601e+00 2.84 -3.023394440e+00 -3.023394440e+00 2.86 -2.949739958e+00 -2.949739958e+00 2.88 -2.876963765e+00 -2.876963765e+00 2.90 -2.805235044e+00 -2.805235044e+00 2.92 -2.734732284e+00 -2.734732284e+00 2.94 -2.665611818e+00 -2.665611818e+00 2.96 -2.597997070e+00 -2.597997070e+00 2.98 -2.531860674e+00 -2.531860674e+00 3.00 -2.467132537e+00 -2.467132537e+00 3.02 -2.403751122e+00 -2.403751122e+00 3.04 -2.341664168e+00 -2.341664168e+00 3.06 -2.280829450e+00 -2.280829450e+00 3.08 -2.221215621e+00 -2.221215621e+00 3.10 -2.162803119e+00 -2.162803119e+00 3.12 -2.105585120e+00 -2.105585120e+00 3.14 -2.049568528e+00 -2.049568528e+00 3.16 -1.994774967e+00 -1.994774967e+00 3.18 -1.941241459e+00 -1.941241459e+00 3.20 -1.889014144e+00 -1.889014144e+00 3.22 -1.838135195e+00 -1.838135195e+00 3.24 -1.788637440e+00 -1.788637440e+00 3.26 -1.740540284e+00 -1.740540284e+00 3.28 -1.693847475e+00 -1.693847475e+00 3.30 -1.648545860e+00 -1.648545860e+00 3.32 -1.604606269e+00 -1.604606269e+00 3.34 -1.561991623e+00 -1.561991623e+00 3.36 -1.520659639e+00 -1.520659639e+00 3.38 -1.480563383e+00 -1.480563383e+00 3.40 -1.441651860e+00 -1.441651860e+00 3.42 -1.403870604e+00 -1.403870604e+00 3.44 -1.367162280e+00 -1.367162280e+00 3.46 -1.331467245e+00 -1.331467245e+00 3.48 -1.296723103e+00 -1.296723103e+00 3.50 -1.262854083e+00 -1.262854083e+00 3.52 -1.229769910e+00 -1.229769910e+00 3.54 -1.197378858e+00 -1.197378858e+00 3.56 -1.165595652e+00 -1.165595652e+00 3.58 -1.134319912e+00 -1.134319912e+00 3.60 -1.103452968e+00 -1.103452968e+00 3.62 -1.072962682e+00 -1.072962682e+00 3.64 -1.042835031e+00 -1.042835031e+00 3.66 -1.013059982e+00 -1.013059982e+00 3.68 -9.836331452e-01 -9.836331452e-01 3.70 -9.545527402e-01 -9.545527402e-01 3.72 -9.258128992e-01 -9.258128992e-01 3.74 -8.973869408e-01 -8.973869408e-01 3.76 -8.692517115e-01 -8.692517115e-01 3.78 -8.413936878e-01 -8.413936878e-01 3.80 -8.137879204e-01 -8.137879204e-01 3.82 -7.864010020e-01 -7.864010020e-01 3.84 -7.592127226e-01 -7.592127226e-01 3.86 -7.321792152e-01 -7.321792152e-01 3.88 -7.053239822e-01 -7.053239822e-01 3.90 -6.787097987e-01 -6.787097987e-01 3.92 -6.521431910e-01 -6.521431910e-01 3.94 -6.257101173e-01 -6.257101173e-01 3.96 -6.001196094e-01 -6.001196094e-01 3.98 -5.750995828e-01 -5.750995828e-01 4.00 -5.500548721e-01 -5.500548721e-01 4.02 -5.242692096e-01 -5.242692096e-01 4.04 -4.984574401e-01 -4.984574401e-01 4.06 -4.734290253e-01 -4.734290253e-01 4.08 -4.493806674e-01 -4.493806674e-01 4.10 -4.265146006e-01 -4.265146006e-01 4.12 -4.050033132e-01 -4.050033132e-01 4.14 -3.845083037e-01 -3.845083037e-01 4.16 -3.648890573e-01 -3.648890573e-01 4.18 -3.460777296e-01 -3.460777296e-01 4.20 -3.280001596e-01 -3.280001596e-01 4.22 -3.105961469e-01 -3.105961469e-01 4.24 -2.938611781e-01 -2.938611781e-01 4.26 -2.777849851e-01 -2.777849851e-01 4.28 -2.623175760e-01 -2.623175760e-01 4.30 -2.474136117e-01 -2.474136117e-01 4.32 -2.330456548e-01 -2.330456548e-01 4.34 -2.191838106e-01 -2.191838106e-01 4.36 -2.058099346e-01 -2.058099346e-01 4.38 -1.929122626e-01 -1.929122626e-01 4.40 -1.804850198e-01 -1.804850198e-01 4.42 -1.685252468e-01 -1.685252468e-01 4.44 -1.570251655e-01 -1.570251655e-01 4.46 -1.459885040e-01 -1.459885040e-01 4.48 -1.354064972e-01 -1.354064972e-01 4.50 -1.252612258e-01 -1.252612258e-01 4.52 -1.155702061e-01 -1.155702061e-01 4.54 -1.063467489e-01 -1.063467489e-01 4.56 -9.753514401e-02 -9.753514401e-02 4.58 -8.938091979e-02 -8.938091979e-02 4.60 -8.206479267e-02 -8.206479267e-02 4.62 -7.555663145e-02 -7.555663145e-02 4.64 -6.924443266e-02 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