# 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 = Au2CoTi # 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 2.883036544e+02 2.883036544e+02 1.30 2.670385283e+02 2.670385283e+02 1.32 2.473584701e+02 2.473584701e+02 1.34 2.291368949e+02 2.291368949e+02 1.36 2.122571591e+02 2.122571591e+02 1.38 1.966117645e+02 1.966117645e+02 1.40 1.821027921e+02 1.821027921e+02 1.42 1.686417862e+02 1.686417862e+02 1.44 1.561486795e+02 1.561486795e+02 1.46 1.445503159e+02 1.445503159e+02 1.48 1.337791393e+02 1.337791393e+02 1.50 1.237724306e+02 1.237724306e+02 1.52 1.144721584e+02 1.144721584e+02 1.54 1.058250238e+02 1.058250238e+02 1.56 9.778217634e+01 9.778217634e+01 1.58 9.029857427e+01 9.029857427e+01 1.60 8.333240606e+01 8.333240606e+01 1.62 7.684485852e+01 7.684485852e+01 1.64 7.080012201e+01 7.080012201e+01 1.66 6.516537505e+01 6.516537505e+01 1.68 5.991065141e+01 5.991065141e+01 1.70 5.500864448e+01 5.500864448e+01 1.72 5.043447990e+01 5.043447990e+01 1.74 4.616541550e+01 4.616541550e+01 1.76 4.218168066e+01 4.218168066e+01 1.78 3.848357343e+01 3.848357343e+01 1.80 3.505813077e+01 3.505813077e+01 1.82 3.188591030e+01 3.188591030e+01 1.84 2.894845724e+01 2.894845724e+01 1.86 2.622872262e+01 2.622872262e+01 1.88 2.371106283e+01 2.371106283e+01 1.90 2.138119484e+01 2.138119484e+01 1.92 1.922608217e+01 1.922608217e+01 1.94 1.723374689e+01 1.723374689e+01 1.96 1.539303573e+01 1.539303573e+01 1.98 1.369339985e+01 1.369339985e+01 2.00 1.212476089e+01 1.212476089e+01 2.02 1.067749573e+01 1.067749573e+01 2.04 9.342507385e+00 9.342507385e+00 2.06 8.111313708e+00 8.111313708e+00 2.08 6.976101589e+00 6.976101589e+00 2.10 5.929730525e+00 5.929730525e+00 2.12 4.965692926e+00 4.965692926e+00 2.14 4.078048161e+00 4.078048161e+00 2.16 3.261347767e+00 3.261347767e+00 2.18 2.510566138e+00 2.510566138e+00 2.20 1.821044194e+00 1.821044194e+00 2.22 1.188447161e+00 1.188447161e+00 2.24 6.087359666e-01 6.087359666e-01 2.26 7.815061256e-02 7.815061256e-02 2.28 -4.067987804e-01 -4.067987804e-01 2.30 -8.493402572e-01 -8.493402572e-01 2.32 -1.252455216e+00 -1.252455216e+00 2.34 -1.618901393e+00 -1.618901393e+00 2.36 -1.951238558e+00 -1.951238558e+00 2.38 -2.251851065e+00 -2.251851065e+00 2.40 -2.522965044e+00 -2.522965044e+00 2.42 -2.766662212e+00 -2.766662212e+00 2.44 -2.984892884e+00 -2.984892884e+00 2.46 -3.179489638e+00 -3.179489638e+00 2.48 -3.352180877e+00 -3.352180877e+00 2.50 -3.504603111e+00 -3.504603111e+00 2.52 -3.638311158e+00 -3.638311158e+00 2.54 -3.754786309e+00 -3.754786309e+00 2.56 -3.855442490e+00 -3.855442490e+00 2.58 -3.941629275e+00 -3.941629275e+00 2.60 -4.014670650e+00 -4.014670650e+00 2.62 -4.075783220e+00 -4.075783220e+00 2.64 -4.126058031e+00 -4.126058031e+00 2.66 -4.166420936e+00 -4.166420936e+00 2.68 -4.197686719e+00 -4.197686719e+00 2.70 -4.220581030e+00 -4.220581030e+00 2.72 -4.235745720e+00 -4.235745720e+00 2.74 -4.243778060e+00 -4.243778060e+00 2.76 -4.245253621e+00 -4.245253621e+00 2.78 -4.240389222e+00 -4.240389222e+00 2.80 -4.229352874e+00 -4.229352874e+00 2.82 -4.212316061e+00 -4.212316061e+00 2.84 -4.189493011e+00 -4.189493011e+00 2.86 -4.161133415e+00 -4.161133415e+00 2.88 -4.127514691e+00 -4.127514691e+00 2.90 -4.088935925e+00 -4.088935925e+00 2.92 -4.045704739e+00 -4.045704739e+00 2.94 -3.998137479e+00 -3.998137479e+00 2.96 -3.946571122e+00 -3.946571122e+00 2.98 -3.891365778e+00 -3.891365778e+00 3.00 -3.832906618e+00 -3.832906618e+00 3.02 -3.771603285e+00 -3.771603285e+00 3.04 -3.707884145e+00 -3.707884145e+00 3.06 -3.642184338e+00 -3.642184338e+00 3.08 -3.574928308e+00 -3.574928308e+00 3.10 -3.506511118e+00 -3.506511118e+00 3.12 -3.437282410e+00 -3.437282410e+00 3.14 -3.367536978e+00 -3.367536978e+00 3.16 -3.297512611e+00 -3.297512611e+00 3.18 -3.227394935e+00 -3.227394935e+00 3.20 -3.157326247e+00 -3.157326247e+00 3.22 -3.087415937e+00 -3.087415937e+00 3.24 -3.017750396e+00 -3.017750396e+00 3.26 -2.948401196e+00 -2.948401196e+00 3.28 -2.879431132e+00 -2.879431132e+00 3.30 -2.810898208e+00 -2.810898208e+00 3.32 -2.742857994e+00 -2.742857994e+00 3.34 -2.675364791e+00 -2.675364791e+00 3.36 -2.608472107e+00 -2.608472107e+00 3.38 -2.542232782e+00 -2.542232782e+00 3.40 -2.476699069e+00 -2.476699069e+00 3.42 -2.411922899e+00 -2.411922899e+00 3.44 -2.347956208e+00 -2.347956208e+00 3.46 -2.284851566e+00 -2.284851566e+00 3.48 -2.222662725e+00 -2.222662725e+00 3.50 -2.161444939e+00 -2.161444939e+00 3.52 -2.101254700e+00 -2.101254700e+00 3.54 -2.042148672e+00 -2.042148672e+00 3.56 -1.984181693e+00 -1.984181693e+00 3.58 -1.927404027e+00 -1.927404027e+00 3.60 -1.871858318e+00 -1.871858318e+00 3.62 -1.817576848e+00 -1.817576848e+00 3.64 -1.764579708e+00 -1.764579708e+00 3.66 -1.712874211e+00 -1.712874211e+00 3.68 -1.662455606e+00 -1.662455606e+00 3.70 -1.613308803e+00 -1.613308803e+00 3.72 -1.565410680e+00 -1.565410680e+00 3.74 -1.518732534e+00 -1.518732534e+00 3.76 -1.473242319e+00 -1.473242319e+00 3.78 -1.428906472e+00 -1.428906472e+00 3.80 -1.385691265e+00 -1.385691265e+00 3.82 -1.343563694e+00 -1.343563694e+00 3.84 -1.302491986e+00 -1.302491986e+00 3.86 -1.262445815e+00 -1.262445815e+00 3.88 -1.223396311e+00 -1.223396311e+00 3.90 -1.185315945e+00 -1.185315945e+00 3.92 -1.148178307e+00 -1.148178307e+00 3.94 -1.111957965e+00 -1.111957965e+00 3.96 -1.076630102e+00 -1.076630102e+00 3.98 -1.042170412e+00 -1.042170412e+00 4.00 -1.008554926e+00 -1.008554926e+00 4.02 -9.757599373e-01 -9.757599373e-01 4.04 -9.437620348e-01 -9.437620348e-01 4.06 -9.125382454e-01 -9.125382454e-01 4.08 -8.820663189e-01 -8.820663189e-01 4.10 -8.523250896e-01 -8.523250896e-01 4.12 -8.232953055e-01 -8.232953055e-01 4.14 -7.949598848e-01 -7.949598848e-01 4.16 -7.673049544e-01 -7.673049544e-01 4.18 -7.403205082e-01 -7.403205082e-01 4.20 -7.140010385e-01 -7.140010385e-01 4.22 -6.883459434e-01 -6.883459434e-01 4.24 -6.633595882e-01 -6.633595882e-01 4.26 -6.390509144e-01 -6.390509144e-01 4.28 -6.154325410e-01 -6.154325410e-01 4.30 -5.925193688e-01 -5.925193688e-01 4.32 -5.703267919e-01 -5.703267919e-01 4.34 -5.488686949e-01 -5.488686949e-01 4.36 -5.281554723e-01 -5.281554723e-01 4.38 -5.081923100e-01 -5.081923100e-01 4.40 -4.889779304e-01 -4.889779304e-01 4.42 -4.705039200e-01 -4.705039200e-01 4.44 -4.527546639e-01 -4.527546639e-01 4.46 -4.357078194e-01 -4.357078194e-01 4.48 -4.193352028e-01 -4.193352028e-01 4.50 -4.036039297e-01 -4.036039297e-01 4.52 -3.884776567e-01 -3.884776567e-01 4.54 -3.739177962e-01 -3.739177962e-01 4.56 -3.598846166e-01 -3.598846166e-01 4.58 -3.463381784e-01 -3.463381784e-01 4.60 -3.332390936e-01 -3.332390936e-01 4.62 -3.205491197e-01 -3.205491197e-01 4.64 -3.082316199e-01 -3.082316199e-01 4.66 -2.962519246e-01 -2.962519246e-01 4.68 -2.845776379e-01 -2.845776379e-01 4.70 -2.731789217e-01 -2.731789217e-01 4.72 -2.620287926e-01 -2.620287926e-01 4.74 -2.511034482e-01 -2.511034482e-01 4.76 -2.403826373e-01 -2.403826373e-01 4.78 -2.298500680e-01 -2.298500680e-01 4.80 -2.194937980e-01 -2.194937980e-01 4.82 -2.093068314e-01 -2.093068314e-01 4.84 -1.992872116e-01 -1.992872116e-01 4.86 -1.894384665e-01 -1.894384665e-01 4.88 -1.797696336e-01 -1.797696336e-01 4.90 -1.702950933e-01 -1.702950933e-01 4.92 -1.610341095e-01 -1.610341095e-01 4.94 -1.520100489e-01 -1.520100489e-01 4.96 -1.432492854e-01 -1.432492854e-01 4.98 -1.347798350e-01 -1.347798350e-01 5.00 -1.266298080e-01 -1.266298080e-01 5.02 -1.188257956e-01 -1.188257956e-01 5.04 -1.113913280e-01 -1.113913280e-01 5.06 -1.043455339e-01 -1.043455339e-01 5.08 -9.770211529e-02 -9.770211529e-02 5.10 -9.146870960e-02 -9.146870960e-02 5.12 -8.564666652e-02 -8.564666652e-02 5.14 -8.023122121e-02 -8.023122121e-02 5.16 -7.521200734e-02 -7.521200734e-02 5.18 -7.057382341e-02 -7.057382341e-02 5.20 -6.629754074e-02 -6.629754074e-02 5.22 -6.236091099e-02 -6.236091099e-02 5.24 -5.874005109e-02 -5.874005109e-02 5.26 -5.541001014e-02 -5.541001014e-02 5.28 -5.234544812e-02 -5.234544812e-02 5.30 -4.952158134e-02 -4.952158134e-02 5.32 -4.691440918e-02 -4.691440918e-02 5.34 -4.450108484e-02 -4.450108484e-02 5.36 -4.226017442e-02 -4.226017442e-02 5.38 -4.017180606e-02 -4.017180606e-02 5.40 -3.821773329e-02 -3.821773329e-02 5.42 -3.638133554e-02 -3.638133554e-02 5.44 -3.464757573e-02 -3.464757573e-02 5.46 -3.300293190e-02 -3.300293190e-02 5.48 -3.143531658e-02 -3.143531658e-02 5.50 -2.993399434e-02 -2.993399434e-02 5.52 -2.848950516e-02 -2.848950516e-02 5.54 -2.709359901e-02 -2.709359901e-02 5.56 -2.573918381e-02 -2.573918381e-02 5.58 -2.442028815e-02 -2.442028815e-02 5.60 -2.313203716e-02 -2.313203716e-02 5.62 -2.187063816e-02 -2.187063816e-02 5.64 -2.063337110e-02 -2.063337110e-02 5.66 -1.941857711e-02 -1.941857711e-02 5.68 -1.822563751e-02 -1.822563751e-02 5.70 -1.705493508e-02 -1.705493508e-02 5.72 -1.590778987e-02 -1.590778987e-02 5.74 -1.478636346e-02 -1.478636346e-02 5.76 -1.369352639e-02 -1.369352639e-02 5.78 -1.263255364e-02 -1.263255364e-02 5.80 -1.160717852e-02 -1.160717852e-02 5.82 -1.062137491e-02 -1.062137491e-02 5.84 -9.679018967e-03 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