# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = CoNi # 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 2025-07-01 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan 6.727585844e+02 6.727585844e+02 nan nan 0.80 nan nan nan nan 6.155092627e+02 6.155092627e+02 nan nan 0.82 nan nan nan nan 5.638096114e+02 5.638096114e+02 nan nan 0.84 nan nan nan nan 5.170449714e+02 5.170449714e+02 nan nan 0.86 nan nan nan nan 4.746782986e+02 4.746782986e+02 nan nan 0.88 nan nan nan nan 4.362390752e+02 4.362390752e+02 nan nan 0.90 6.101014709e+02 6.101014709e+02 nan nan 4.013139912e+02 4.013139912e+02 nan nan 0.92 5.602271517e+02 5.602271517e+02 nan nan 3.695390882e+02 3.695390882e+02 nan nan 0.94 5.149731819e+02 5.149731819e+02 nan nan 3.405930962e+02 3.405930962e+02 nan nan 0.96 4.738675490e+02 4.738675490e+02 nan nan 3.141917848e+02 3.141917848e+02 nan nan 0.98 4.364876015e+02 4.364876015e+02 7.771669583e+02 7.771669583e+02 2.900831492e+02 2.900831492e+02 nan nan 1.00 4.024557159e+02 4.024557159e+02 7.120319429e+02 7.120319429e+02 2.680432913e+02 2.680432913e+02 8.109432242e+02 8.109432242e+02 1.02 3.714341287e+02 3.714341287e+02 6.523355471e+02 6.523355471e+02 2.478723327e+02 2.478723327e+02 7.493589458e+02 7.493589458e+02 1.04 3.424332009e+02 3.424332009e+02 5.968657212e+02 5.968657212e+02 2.289330000e+02 2.289330000e+02 6.913157315e+02 6.913157315e+02 1.06 3.135107357e+02 3.135107357e+02 5.430531076e+02 5.430531076e+02 2.099501486e+02 2.099501486e+02 6.337249504e+02 6.337249504e+02 1.08 2.852847416e+02 2.852847416e+02 4.916836239e+02 4.916836239e+02 1.913527300e+02 1.913527300e+02 5.777081618e+02 5.777081618e+02 1.10 2.583000073e+02 2.583000073e+02 4.434082984e+02 4.434082984e+02 1.735183923e+02 1.735183923e+02 5.242612942e+02 5.242612942e+02 1.12 2.328971589e+02 2.328971589e+02 3.985838619e+02 3.985838619e+02 1.566864430e+02 1.566864430e+02 4.740009417e+02 4.740009417e+02 1.14 2.092668867e+02 2.092668867e+02 3.573558210e+02 3.573558210e+02 1.409942648e+02 1.409942648e+02 4.272653894e+02 4.272653894e+02 1.16 1.874914681e+02 1.874914681e+02 3.197213172e+02 3.197213172e+02 1.265052564e+02 1.265052564e+02 3.841919440e+02 3.841919440e+02 1.18 1.675763362e+02 1.675763362e+02 2.855762899e+02 2.855762899e+02 1.132301174e+02 1.132301174e+02 3.447757237e+02 3.447757237e+02 1.20 1.494739520e+02 1.494739520e+02 2.547506095e+02 2.547506095e+02 1.011429813e+02 1.011429813e+02 3.089140972e+02 3.089140972e+02 1.22 1.331017102e+02 1.331017102e+02 2.270339722e+02 2.270339722e+02 9.019354464e+01 9.019354464e+01 2.764399954e+02 2.764399954e+02 1.24 1.183552242e+02 1.183552242e+02 2.021947220e+02 2.021947220e+02 8.031609253e+01 8.031609253e+01 2.471466169e+02 2.471466169e+02 1.26 1.051180739e+02 1.051180739e+02 1.799933169e+02 1.799933169e+02 7.143614281e+01 7.143614281e+01 2.208055392e+02 2.208055392e+02 1.28 9.326883863e+01 9.326883863e+01 1.601917383e+02 1.601917383e+02 6.347525908e+01 6.347525908e+01 1.971797740e+02 1.971797740e+02 1.30 8.268606674e+01 8.268606674e+01 1.425598620e+02 1.425598620e+02 5.635446991e+01 5.635446991e+01 1.760329816e+02 1.760329816e+02 1.32 7.325168855e+01 7.325168855e+01 1.268795730e+02 1.268795730e+02 4.999663363e+01 4.999663363e+01 1.571357851e+02 1.571357851e+02 1.34 6.485326066e+01 6.485326066e+01 1.129472183e+02 1.129472183e+02 4.432800993e+01 4.432800993e+01 1.402699125e+02 1.402699125e+02 1.36 5.738534741e+01 5.738534741e+01 1.005748609e+02 1.005748609e+02 3.927924396e+01 3.927924396e+01 1.252307327e+02 1.252307327e+02 1.38 5.075026769e+01 5.075026769e+01 8.959067451e+01 8.959067451e+01 3.478591678e+01 3.478591678e+01 1.118286129e+02 1.118286129e+02 1.40 4.485838777e+01 4.485838777e+01 7.983874679e+01 7.983874679e+01 3.078878455e+01 3.078878455e+01 9.988943214e+01 9.988943214e+01 1.42 3.962809448e+01 3.962809448e+01 7.117848413e+01 7.117848413e+01 2.723379698e+01 2.723379698e+01 8.925449869e+01 8.925449869e+01 1.44 3.498554709e+01 3.498554709e+01 6.348376104e+01 6.348376104e+01 2.407196279e+01 2.407196279e+01 7.978006191e+01 7.978006191e+01 1.46 3.086427004e+01 3.086427004e+01 5.664192472e+01 5.664192472e+01 2.125911640e+01 2.125911640e+01 7.133656539e+01 7.133656539e+01 1.48 2.720463368e+01 2.720463368e+01 5.055272737e+01 5.055272737e+01 1.875562208e+01 1.875562208e+01 6.380773941e+01 6.380773941e+01 1.50 2.395333614e+01 2.395333614e+01 4.512724129e+01 4.512724129e+01 1.652604402e+01 1.652604402e+01 5.708960957e+01 5.708960957e+01 1.52 2.106288680e+01 2.106288680e+01 4.028679625e+01 4.028679625e+01 1.453880373e+01 1.453880373e+01 5.108947672e+01 5.108947672e+01 1.54 1.849108932e+01 1.849108932e+01 3.596196021e+01 3.596196021e+01 1.276583700e+01 1.276583700e+01 4.572490238e+01 4.572490238e+01 1.56 1.620054078e+01 1.620054078e+01 3.209158098e+01 3.209158098e+01 1.118226136e+01 1.118226136e+01 4.092273410e+01 4.092273410e+01 1.58 1.415815620e+01 1.415815620e+01 2.862189775e+01 2.862189775e+01 9.766060424e+00 9.766060424e+00 3.661818416e+01 3.661818416e+01 1.60 1.233472240e+01 1.233472240e+01 2.550572399e+01 2.550572399e+01 8.497787678e+00 8.497787678e+00 3.275396786e+01 3.275396786e+01 1.62 1.070448625e+01 1.070448625e+01 2.270170451e+01 2.270170451e+01 7.360293103e+00 7.360293103e+00 2.927950870e+01 2.927950870e+01 1.64 9.244777390e+00 9.244777390e+00 2.017364365e+01 2.017364365e+01 6.338472686e+00 6.338472686e+00 2.615021073e+01 2.615021073e+01 1.66 7.935664635e+00 7.935664635e+00 1.788990053e+01 1.788990053e+01 5.419040293e+00 5.419040293e+00 2.332679641e+01 2.332679641e+01 1.68 6.759646065e+00 6.759646065e+00 1.582284847e+01 1.582284847e+01 4.590321967e+00 4.590321967e+00 2.077470924e+01 2.077470924e+01 1.70 5.701370030e+00 5.701370030e+00 1.394839259e+01 1.394839259e+01 3.842070727e+00 3.842070727e+00 1.846357590e+01 1.846357590e+01 1.72 4.747385158e+00 4.747385158e+00 1.224554069e+01 1.224554069e+01 3.165300651e+00 3.165300651e+00 1.636672429e+01 1.636672429e+01 1.74 3.885917622e+00 3.885917622e+00 1.069602316e+01 1.069602316e+01 2.552139067e+00 2.552139067e+00 1.446075345e+01 1.446075345e+01 1.76 3.106672478e+00 3.106672478e+00 9.283942386e+00 9.283942386e+00 1.995694747e+00 1.995694747e+00 1.272515002e+01 1.272515002e+01 1.78 2.400657389e+00 2.400657389e+00 7.995408938e+00 7.995408938e+00 1.489940954e+00 1.489940954e+00 1.114194751e+01 1.114194751e+01 1.80 1.760026505e+00 1.760026505e+00 6.818214031e+00 6.818214031e+00 1.029611893e+00 1.029611893e+00 9.695424058e+00 9.695424058e+00 1.82 1.177942000e+00 1.177942000e+00 5.741607302e+00 5.741607302e+00 6.101108802e-01 6.101108802e-01 8.371834284e+00 8.371834284e+00 1.84 6.484518644e-01 6.484518644e-01 4.756126142e+00 4.756126142e+00 2.274293126e-01 2.274293126e-01 7.159172191e+00 7.159172191e+00 1.86 1.663819527e-01 1.663819527e-01 3.853445002e+00 3.853445002e+00 -1.219249045e-01 -1.219249045e-01 6.046961451e+00 6.046961451e+00 1.88 -2.727594483e-01 -2.727594483e-01 3.026241814e+00 3.026241814e+00 -4.409906118e-01 -4.409906118e-01 5.026069860e+00 5.026069860e+00 1.90 -6.728656523e-01 -6.728656523e-01 2.268080006e+00 2.268080006e+00 -7.324090893e-01 -7.324090893e-01 4.088545609e+00 4.088545609e+00 1.92 -1.037305804e+00 -1.037305804e+00 1.573303950e+00 1.573303950e+00 -9.984732424e-01 -9.984732424e-01 3.227472477e+00 3.227472477e+00 1.94 -1.368990396e+00 -1.368990396e+00 9.369463715e-01 9.369463715e-01 -1.241171010e+00 -1.241171010e+00 2.436841545e+00 2.436841545e+00 1.96 -1.670429016e+00 -1.670429016e+00 3.546464457e-01 3.546464457e-01 -1.462223618e+00 -1.462223618e+00 1.711425664e+00 1.711425664e+00 1.98 -1.943785839e+00 -1.943785839e+00 -1.774287931e-01 -1.774287931e-01 -1.663122349e+00 -1.663122349e+00 1.046636734e+00 1.046636734e+00 2.00 -2.190988964e+00 -2.190988964e+00 -6.627345587e-01 -6.627345587e-01 -1.845201245e+00 -1.845201245e+00 4.383242269e-01 4.383242269e-01 2.02 -2.413837040e+00 -2.413837040e+00 -1.104494523e+00 -1.104494523e+00 -2.009708002e+00 -2.009708002e+00 -1.173850433e-01 -1.173850433e-01 2.04 -2.614017772e+00 -2.614017772e+00 -1.505729289e+00 -1.505729289e+00 -2.157816160e+00 -2.157816160e+00 -6.241185284e-01 -6.241185284e-01 2.06 -2.793114396e+00 -2.793114396e+00 -1.869268583e+00 -1.869268583e+00 -2.290629271e+00 -2.290629271e+00 -1.085272973e+00 -1.085272973e+00 2.08 -2.952611785e+00 -2.952611785e+00 -2.197762734e+00 -2.197762734e+00 -2.409184847e+00 -2.409184847e+00 -1.504028546e+00 -1.504028546e+00 2.10 -3.093902236e+00 -3.093902236e+00 -2.493693510e+00 -2.493693510e+00 -2.514458109e+00 -2.514458109e+00 -1.883362163e+00 -1.883362163e+00 2.12 -3.218290899e+00 -3.218290899e+00 -2.759384295e+00 -2.759384295e+00 -2.607365510e+00 -2.607365510e+00 -2.226059965e+00 -2.226059965e+00 2.14 -3.327000915e+00 -3.327000915e+00 -2.997009684e+00 -2.997009684e+00 -2.688768099e+00 -2.688768099e+00 -2.534729081e+00 -2.534729081e+00 2.16 -3.421178271e+00 -3.421178271e+00 -3.208604520e+00 -3.208604520e+00 -2.759474892e+00 -2.759474892e+00 -2.811808677e+00 -2.811808677e+00 2.18 -3.501896351e+00 -3.501896351e+00 -3.396072387e+00 -3.396072387e+00 -2.820244816e+00 -2.820244816e+00 -3.059580326e+00 -3.059580326e+00 2.20 -3.570160260e+00 -3.570160260e+00 -3.561193617e+00 -3.561193617e+00 -2.871791077e+00 -2.871791077e+00 -3.280177770e+00 -3.280177770e+00 2.22 -3.626910881e+00 -3.626910881e+00 -3.705632828e+00 -3.705632828e+00 -2.914782938e+00 -2.914782938e+00 -3.475596084e+00 -3.475596084e+00 2.24 -3.673028701e+00 -3.673028701e+00 -3.830945995e+00 -3.830945995e+00 -2.949848315e+00 -2.949848315e+00 -3.647700276e+00 -3.647700276e+00 2.26 -3.709337431e+00 -3.709337431e+00 -3.938587135e+00 -3.938587135e+00 -2.977576220e+00 -2.977576220e+00 -3.798233388e+00 -3.798233388e+00 2.28 -3.736607409e+00 -3.736607409e+00 -4.029914577e+00 -4.029914577e+00 -2.998519005e+00 -2.998519005e+00 -3.928824084e+00 -3.928824084e+00 2.30 -3.755558800e+00 -3.755558800e+00 -4.106196860e+00 -4.106196860e+00 -3.013194482e+00 -3.013194482e+00 -4.040993788e+00 -4.040993788e+00 2.32 -3.766864635e+00 -3.766864635e+00 -4.168618296e+00 -4.168618296e+00 -3.022087934e+00 -3.022087934e+00 -4.136163389e+00 -4.136163389e+00 2.34 -3.771153648e+00 -3.771153648e+00 -4.218284183e+00 -4.218284183e+00 -3.025654003e+00 -3.025654003e+00 -4.215659528e+00 -4.215659528e+00 2.36 -3.769012968e+00 -3.769012968e+00 -4.256225722e+00 -4.256225722e+00 -3.024318476e+00 -3.024318476e+00 -4.280720513e+00 -4.280720513e+00 2.38 -3.760990647e+00 -3.760990647e+00 -4.283404637e+00 -4.283404637e+00 -3.018479981e+00 -3.018479981e+00 -4.332501872e+00 -4.332501872e+00 2.40 -3.747598044e+00 -3.747598044e+00 -4.300717514e+00 -4.300717514e+00 -3.008511570e+00 -3.008511570e+00 -4.372081557e+00 -4.372081557e+00 2.42 -3.729312066e+00 -3.729312066e+00 -4.308999883e+00 -4.308999883e+00 -2.994762230e+00 -2.994762230e+00 -4.400464841e+00 -4.400464841e+00 2.44 -3.706577291e+00 -3.706577291e+00 -4.309030064e+00 -4.309030064e+00 -2.977558302e+00 -2.977558302e+00 -4.418588913e+00 -4.418588913e+00 2.46 -3.679807946e+00 -3.679807946e+00 -4.301532763e+00 -4.301532763e+00 -2.957204818e+00 -2.957204818e+00 -4.427327187e+00 -4.427327187e+00 2.48 -3.649389791e+00 -3.649389791e+00 -4.287182467e+00 -4.287182467e+00 -2.933986767e+00 -2.933986767e+00 -4.427493355e+00 -4.427493355e+00 2.50 -3.615681879e+00 -3.615681879e+00 -4.266606633e+00 -4.266606633e+00 -2.908170287e+00 -2.908170287e+00 -4.419845182e+00 -4.419845182e+00 2.52 -3.579018219e+00 -3.579018219e+00 -4.240388672e+00 -4.240388672e+00 -2.880003793e+00 -2.880003793e+00 -4.405088076e+00 -4.405088076e+00 2.54 -3.539709334e+00 -3.539709334e+00 -4.209070766e+00 -4.209070766e+00 -2.849719036e+00 -2.849719036e+00 -4.383878435e+00 -4.383878435e+00 2.56 -3.498043740e+00 -3.498043740e+00 -4.173156509e+00 -4.173156509e+00 -2.817532105e+00 -2.817532105e+00 -4.356826790e+00 -4.356826790e+00 2.58 -3.454289322e+00 -3.454289322e+00 -4.133113383e+00 -4.133113383e+00 -2.783732660e+00 -2.783732660e+00 -4.324500749e+00 -4.324500749e+00 2.60 -3.408694639e+00 -3.408694639e+00 -4.089375088e+00 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