# 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 = AgCo2Pb # 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 2.413164971e+02 2.413164971e+02 1.30 2.236373886e+02 2.236373886e+02 1.32 2.072742101e+02 2.072742101e+02 1.34 1.921205820e+02 1.921205820e+02 1.36 1.780791600e+02 1.780791600e+02 1.38 1.650607996e+02 1.650607996e+02 1.40 1.529843479e+02 1.529843479e+02 1.42 1.417765221e+02 1.417765221e+02 1.44 1.313712484e+02 1.313712484e+02 1.46 1.217085741e+02 1.217085741e+02 1.48 1.127335480e+02 1.127335480e+02 1.50 1.043952851e+02 1.043952851e+02 1.52 9.664639975e+01 9.664639975e+01 1.54 8.944282140e+01 8.944282140e+01 1.56 8.274376857e+01 8.274376857e+01 1.58 7.651168438e+01 7.651168438e+01 1.60 7.071206320e+01 7.071206320e+01 1.62 6.531324196e+01 6.531324196e+01 1.64 6.028618824e+01 6.028618824e+01 1.66 5.560770690e+01 5.560770690e+01 1.68 5.126139926e+01 5.126139926e+01 1.70 4.722417584e+01 4.722417584e+01 1.72 4.347382736e+01 4.347382736e+01 1.74 3.998957014e+01 3.998957014e+01 1.76 3.675196042e+01 3.675196042e+01 1.78 3.374290792e+01 3.374290792e+01 1.80 3.094575651e+01 3.094575651e+01 1.82 2.834534834e+01 2.834534834e+01 1.84 2.592797364e+01 2.592797364e+01 1.86 2.368120433e+01 2.368120433e+01 1.88 2.159367974e+01 2.159367974e+01 1.90 1.965489253e+01 1.965489253e+01 1.92 1.785502044e+01 1.785502044e+01 1.94 1.618482226e+01 1.618482226e+01 1.96 1.463557578e+01 1.463557578e+01 1.98 1.319904072e+01 1.319904072e+01 2.00 1.186742422e+01 1.186742422e+01 2.02 1.063336248e+01 1.063336248e+01 2.04 9.489928597e+00 9.489928597e+00 2.06 8.430657023e+00 8.430657023e+00 2.08 7.449559042e+00 7.449559042e+00 2.10 6.541114896e+00 6.541114896e+00 2.12 5.700242916e+00 5.700242916e+00 2.14 4.922255135e+00 4.922255135e+00 2.16 4.202816704e+00 4.202816704e+00 2.18 3.537915879e+00 3.537915879e+00 2.20 2.923842001e+00 2.923842001e+00 2.22 2.357167792e+00 2.357167792e+00 2.24 1.834727465e+00 1.834727465e+00 2.26 1.353590583e+00 1.353590583e+00 2.28 9.110311235e-01 9.110311235e-01 2.30 5.045028378e-01 5.045028378e-01 2.32 1.316098295e-01 1.316098295e-01 2.34 -2.099068240e-01 -2.099068240e-01 2.36 -5.221848061e-01 -5.221848061e-01 2.38 -8.072460371e-01 -8.072460371e-01 2.40 -1.066998933e+00 -1.066998933e+00 2.42 -1.303238754e+00 -1.303238754e+00 2.44 -1.517648219e+00 -1.517648219e+00 2.46 -1.711799715e+00 -1.711799715e+00 2.48 -1.887233063e+00 -1.887233063e+00 2.50 -2.045298627e+00 -2.045298627e+00 2.52 -2.187175646e+00 -2.187175646e+00 2.54 -2.313986569e+00 -2.313986569e+00 2.56 -2.426807856e+00 -2.426807856e+00 2.58 -2.526680187e+00 -2.526680187e+00 2.60 -2.614612185e+00 -2.614612185e+00 2.62 -2.691572999e+00 -2.691572999e+00 2.64 -2.758447381e+00 -2.758447381e+00 2.66 -2.815946835e+00 -2.815946835e+00 2.68 -2.864710106e+00 -2.864710106e+00 2.70 -2.905321683e+00 -2.905321683e+00 2.72 -2.938313288e+00 -2.938313288e+00 2.74 -2.964171493e+00 -2.964171493e+00 2.76 -2.983347148e+00 -2.983347148e+00 2.78 -2.996274041e+00 -2.996274041e+00 2.80 -3.003450044e+00 -3.003450044e+00 2.82 -3.005190087e+00 -3.005190087e+00 2.84 -3.001766186e+00 -3.001766186e+00 2.86 -2.993454956e+00 -2.993454956e+00 2.88 -2.980534438e+00 -2.980534438e+00 2.90 -2.963282492e+00 -2.963282492e+00 2.92 -2.941977098e+00 -2.941977098e+00 2.94 -2.916898712e+00 -2.916898712e+00 2.96 -2.888338601e+00 -2.888338601e+00 2.98 -2.856603587e+00 -2.856603587e+00 3.00 -2.822012805e+00 -2.822012805e+00 3.02 -2.784912316e+00 -2.784912316e+00 3.04 -2.745666668e+00 -2.745666668e+00 3.06 -2.704581770e+00 -2.704581770e+00 3.08 -2.661956569e+00 -2.661956569e+00 3.10 -2.618076448e+00 -2.618076448e+00 3.12 -2.573200425e+00 -2.573200425e+00 3.14 -2.527557420e+00 -2.527557420e+00 3.16 -2.481340305e+00 -2.481340305e+00 3.18 -2.434709996e+00 -2.434709996e+00 3.20 -2.387791625e+00 -2.387791625e+00 3.22 -2.340686962e+00 -2.340686962e+00 3.24 -2.293483340e+00 -2.293483340e+00 3.26 -2.246256489e+00 -2.246256489e+00 3.28 -2.199072799e+00 -2.199072799e+00 3.30 -2.151991237e+00 -2.151991237e+00 3.32 -2.105065096e+00 -2.105065096e+00 3.34 -2.058343590e+00 -2.058343590e+00 3.36 -2.011873197e+00 -2.011873197e+00 3.38 -1.965698628e+00 -1.965698628e+00 3.40 -1.919863173e+00 -1.919863173e+00 3.42 -1.874409595e+00 -1.874409595e+00 3.44 -1.829378656e+00 -1.829378656e+00 3.46 -1.784809517e+00 -1.784809517e+00 3.48 -1.740738910e+00 -1.740738910e+00 3.50 -1.697200556e+00 -1.697200556e+00 3.52 -1.654224659e+00 -1.654224659e+00 3.54 -1.611837570e+00 -1.611837570e+00 3.56 -1.570061651e+00 -1.570061651e+00 3.58 -1.528915367e+00 -1.528915367e+00 3.60 -1.488413622e+00 -1.488413622e+00 3.62 -1.448568286e+00 -1.448568286e+00 3.64 -1.409388891e+00 -1.409388891e+00 3.66 -1.370883407e+00 -1.370883407e+00 3.68 -1.333058990e+00 -1.333058990e+00 3.70 -1.295922598e+00 -1.295922598e+00 3.72 -1.259481374e+00 -1.259481374e+00 3.74 -1.223742724e+00 -1.223742724e+00 3.76 -1.188714083e+00 -1.188714083e+00 3.78 -1.154402435e+00 -1.154402435e+00 3.80 -1.120813675e+00 -1.120813675e+00 3.82 -1.087951956e+00 -1.087951956e+00 3.84 -1.055819142e+00 -1.055819142e+00 3.86 -1.024414438e+00 -1.024414438e+00 3.88 -9.937342333e-01 -9.937342333e-01 3.90 -9.637721345e-01 -9.637721345e-01 3.92 -9.345187790e-01 -9.345187790e-01 3.94 -9.059636182e-01 -9.059636182e-01 3.96 -8.780928129e-01 -8.780928129e-01 3.98 -8.508912232e-01 -8.508912232e-01 4.00 -8.243422554e-01 -8.243422554e-01 4.02 -7.984281614e-01 -7.984281614e-01 4.04 -7.731303601e-01 -7.731303601e-01 4.06 -7.484298084e-01 -7.484298084e-01 4.08 -7.243074465e-01 -7.243074465e-01 4.10 -7.007437662e-01 -7.007437662e-01 4.12 -6.777235153e-01 -6.777235153e-01 4.14 -6.552300380e-01 -6.552300380e-01 4.16 -6.332505578e-01 -6.332505578e-01 4.18 -6.117757783e-01 -6.117757783e-01 4.20 -5.908005797e-01 -5.908005797e-01 4.22 -5.703245071e-01 -5.703245071e-01 4.24 -5.503519269e-01 -5.503519269e-01 4.26 -5.308917433e-01 -5.308917433e-01 4.28 -5.119566110e-01 -5.119566110e-01 4.30 -4.935616558e-01 -4.935616558e-01 4.32 -4.757228022e-01 -4.757228022e-01 4.34 -4.584548896e-01 -4.584548896e-01 4.36 -4.417698134e-01 -4.417698134e-01 4.38 -4.256749252e-01 -4.256749252e-01 4.40 -4.101718851e-01 -4.101718851e-01 4.42 -3.952560688e-01 -3.952560688e-01 4.44 -3.809165379e-01 -3.809165379e-01 4.46 -3.671364981e-01 -3.671364981e-01 4.48 -3.538941118e-01 -3.538941118e-01 4.50 -3.411635171e-01 -3.411635171e-01 4.52 -3.289159106e-01 -3.289159106e-01 4.54 -3.171205847e-01 -3.171205847e-01 4.56 -3.057458466e-01 -3.057458466e-01 4.58 -2.947597841e-01 -2.947597841e-01 4.60 -2.841308716e-01 -2.841308716e-01 4.62 -2.738284344e-01 -2.738284344e-01 4.64 -2.638230014e-01 -2.638230014e-01 4.66 -2.540865813e-01 -2.540865813e-01 4.68 -2.445929004e-01 -2.445929004e-01 4.70 -2.353176366e-01 -2.353176366e-01 4.72 -2.262386755e-01 -2.262386755e-01 4.74 -2.173364099e-01 -2.173364099e-01 4.76 -2.085940904e-01 -2.085940904e-01 4.78 -1.999982234e-01 -1.999982234e-01 4.80 -1.915382192e-01 -1.915382192e-01 4.82 -1.832100436e-01 -1.832100436e-01 4.84 -1.750115255e-01 -1.750115255e-01 4.86 -1.669461204e-01 -1.669461204e-01 4.88 -1.590220363e-01 -1.590220363e-01 4.90 -1.512520283e-01 -1.512520283e-01 4.92 -1.436528942e-01 -1.436528942e-01 4.94 -1.362446515e-01 -1.362446515e-01 4.96 -1.290494231e-01 -1.290494231e-01 4.98 -1.220901033e-01 -1.220901033e-01 5.00 -1.153889141e-01 -1.153889141e-01 5.02 -1.089659955e-01 -1.089659955e-01 5.04 -1.028381681e-01 -1.028381681e-01 5.06 -9.701798703e-02 -9.701798703e-02 5.08 -9.151283557e-02 -9.151283557e-02 5.10 -8.632509781e-02 -8.632509781e-02 5.12 -8.145306653e-02 -8.145306653e-02 5.14 -7.689051013e-02 -7.689051013e-02 5.16 -7.262740404e-02 -7.262740404e-02 5.18 -6.865079040e-02 -6.865079040e-02 5.20 -6.494565100e-02 -6.494565100e-02 5.22 -6.149572203e-02 -6.149572203e-02 5.24 -5.828419824e-02 -5.828419824e-02 5.26 -5.529429999e-02 -5.529429999e-02 5.28 -5.250969583e-02 -5.250969583e-02 5.30 -4.991477957e-02 -4.991477957e-02 5.32 -4.749470627e-02 -4.749470627e-02 5.34 -4.523578592e-02 -4.523578592e-02 5.36 -4.312535692e-02 -4.312535692e-02 5.38 -4.115166382e-02 -4.115166382e-02 5.40 -3.930379518e-02 -3.930379518e-02 5.42 -3.757161069e-02 -3.757161069e-02 5.44 -3.594566914e-02 -3.594566914e-02 5.46 -3.441716401e-02 -3.441716401e-02 5.48 -3.297786987e-02 -3.297786987e-02 5.50 -3.162009996e-02 -3.162009996e-02 5.52 -3.033667338e-02 -3.033667338e-02 5.54 -2.912088979e-02 -2.912088979e-02 5.56 -2.796650901e-02 -2.796650901e-02 5.58 -2.686773333e-02 -2.686773333e-02 5.60 -2.581919106e-02 -2.581919106e-02 5.62 -2.481592006e-02 -2.481592006e-02 5.64 -2.385335095e-02 -2.385335095e-02 5.66 -2.292728994e-02 -2.292728994e-02 5.68 -2.203390187e-02 -2.203390187e-02 5.70 -2.116969364e-02 -2.116969364e-02 5.72 -2.033149896e-02 -2.033149896e-02 5.74 -1.951646482e-02 -1.951646482e-02 5.76 -1.872204031e-02 -1.872204031e-02 5.78 -1.794596796e-02 -1.794596796e-02 5.80 -1.718627796e-02 -1.718627796e-02 5.82 -1.644128501e-02 -1.644128501e-02 5.84 -1.570958747e-02 -1.570958747e-02 5.86 -1.499006832e-02 -1.499006832e-02 5.88 -1.428189702e-02 -1.428189702e-02 5.90 -1.358453117e-02 -1.358453117e-02 5.92 -1.289771675e-02 -1.289771675e-02 5.94 -1.222147655e-02 -1.222147655e-02 5.96 -1.155606044e-02 -1.155606044e-02 5.98 -1.090204786e-02 -1.090204786e-02 6.00 -1.026027862e-02 -1.026027862e-02