# 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 = CuMg2Ni # 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 2.278904672e+02 2.278904672e+02 1.30 2.104289085e+02 2.104289085e+02 1.32 1.943219132e+02 1.943219132e+02 1.34 1.794543024e+02 1.794543024e+02 1.36 1.657232399e+02 1.657232399e+02 1.38 1.530376020e+02 1.530376020e+02 1.40 1.413158489e+02 1.413158489e+02 1.42 1.304838501e+02 1.304838501e+02 1.44 1.204732832e+02 1.204732832e+02 1.46 1.112205411e+02 1.112205411e+02 1.48 1.026660890e+02 1.026660890e+02 1.50 9.475431262e+01 9.475431262e+01 1.52 8.743380426e+01 8.743380426e+01 1.54 8.065768435e+01 8.065768435e+01 1.56 7.438347960e+01 7.438347960e+01 1.58 6.857224128e+01 6.857224128e+01 1.60 6.318884965e+01 6.318884965e+01 1.62 5.820150843e+01 5.820150843e+01 1.64 5.358137421e+01 5.358137421e+01 1.66 4.930220755e+01 4.930220755e+01 1.68 4.533986624e+01 4.533986624e+01 1.70 4.167179352e+01 4.167179352e+01 1.72 3.827661484e+01 3.827661484e+01 1.74 3.513393354e+01 3.513393354e+01 1.76 3.222435482e+01 3.222435482e+01 1.78 2.952969027e+01 2.952969027e+01 1.80 2.703319944e+01 2.703319944e+01 1.82 2.471973248e+01 2.471973248e+01 1.84 2.257568979e+01 2.257568979e+01 1.86 2.058883931e+01 2.058883931e+01 1.88 1.874806035e+01 1.874806035e+01 1.90 1.704310732e+01 1.704310732e+01 1.92 1.546443893e+01 1.546443893e+01 1.94 1.400312680e+01 1.400312680e+01 1.96 1.265082634e+01 1.265082634e+01 1.98 1.139978399e+01 1.139978399e+01 2.00 1.024283946e+01 1.024283946e+01 2.02 9.173397376e+00 9.173397376e+00 2.04 8.185371690e+00 8.185371690e+00 2.06 7.273120401e+00 7.273120401e+00 2.08 6.431387597e+00 6.431387597e+00 2.10 5.655263818e+00 5.655263818e+00 2.12 4.940162446e+00 4.940162446e+00 2.14 4.281804161e+00 4.281804161e+00 2.16 3.676200797e+00 3.676200797e+00 2.18 3.119628231e+00 3.119628231e+00 2.20 2.608592070e+00 2.608592070e+00 2.22 2.139789573e+00 2.139789573e+00 2.24 1.710081111e+00 1.710081111e+00 2.26 1.316473797e+00 1.316473797e+00 2.28 9.561122737e-01 9.561122737e-01 2.30 6.262784729e-01 6.262784729e-01 2.32 3.243906107e-01 3.243906107e-01 2.34 4.802159852e-02 4.802159852e-02 2.36 -2.050713361e-01 -2.050713361e-01 2.38 -4.369135396e-01 -4.369135396e-01 2.40 -6.492885299e-01 -6.492885299e-01 2.42 -8.437397626e-01 -8.437397626e-01 2.44 -1.021597632e+00 -1.021597632e+00 2.46 -1.184024220e+00 -1.184024220e+00 2.48 -1.332238432e+00 -1.332238432e+00 2.50 -1.467019410e+00 -1.467019410e+00 2.52 -1.588853651e+00 -1.588853651e+00 2.54 -1.698258073e+00 -1.698258073e+00 2.56 -1.795772452e+00 -1.795772452e+00 2.58 -1.881951585e+00 -1.881951585e+00 2.60 -1.957360050e+00 -1.957360050e+00 2.62 -2.022571040e+00 -2.022571040e+00 2.64 -2.078188339e+00 -2.078188339e+00 2.66 -2.124847056e+00 -2.124847056e+00 2.68 -2.163197156e+00 -2.163197156e+00 2.70 -2.193904961e+00 -2.193904961e+00 2.72 -2.217650454e+00 -2.217650454e+00 2.74 -2.235116556e+00 -2.235116556e+00 2.76 -2.246970889e+00 -2.246970889e+00 2.78 -2.253843329e+00 -2.253843329e+00 2.80 -2.256306383e+00 -2.256306383e+00 2.82 -2.254859972e+00 -2.254859972e+00 2.84 -2.249928900e+00 -2.249928900e+00 2.86 -2.241868261e+00 -2.241868261e+00 2.88 -2.230975495e+00 -2.230975495e+00 2.90 -2.217504788e+00 -2.217504788e+00 2.92 -2.201680453e+00 -2.201680453e+00 2.94 -2.183707380e+00 -2.183707380e+00 2.96 -2.163777978e+00 -2.163777978e+00 2.98 -2.142075982e+00 -2.142075982e+00 3.00 -2.118777945e+00 -2.118777945e+00 3.02 -2.094053313e+00 -2.094053313e+00 3.04 -2.068080384e+00 -2.068080384e+00 3.06 -2.041033171e+00 -2.041033171e+00 3.08 -2.013019028e+00 -2.013019028e+00 3.10 -1.984142546e+00 -1.984142546e+00 3.12 -1.954505871e+00 -1.954505871e+00 3.14 -1.924209415e+00 -1.924209415e+00 3.16 -1.893348366e+00 -1.893348366e+00 3.18 -1.862014228e+00 -1.862014228e+00 3.20 -1.830291142e+00 -1.830291142e+00 3.22 -1.798219285e+00 -1.798219285e+00 3.24 -1.765813486e+00 -1.765813486e+00 3.26 -1.733099160e+00 -1.733099160e+00 3.28 -1.700111093e+00 -1.700111093e+00 3.30 -1.666891259e+00 -1.666891259e+00 3.32 -1.633486346e+00 -1.633486346e+00 3.34 -1.599945095e+00 -1.599945095e+00 3.36 -1.566315766e+00 -1.566315766e+00 3.38 -1.532644097e+00 -1.532644097e+00 3.40 -1.498971916e+00 -1.498971916e+00 3.42 -1.465336968e+00 -1.465336968e+00 3.44 -1.431772425e+00 -1.431772425e+00 3.46 -1.398307695e+00 -1.398307695e+00 3.48 -1.364968812e+00 -1.364968812e+00 3.50 -1.331778861e+00 -1.331778861e+00 3.52 -1.298758298e+00 -1.298758298e+00 3.54 -1.265925166e+00 -1.265925166e+00 3.56 -1.233295289e+00 -1.233295289e+00 3.58 -1.200882478e+00 -1.200882478e+00 3.60 -1.168698835e+00 -1.168698835e+00 3.62 -1.136755184e+00 -1.136755184e+00 3.64 -1.105061676e+00 -1.105061676e+00 3.66 -1.073628584e+00 -1.073628584e+00 3.68 -1.042467336e+00 -1.042467336e+00 3.70 -1.011591743e+00 -1.011591743e+00 3.72 -9.810193933e-01 -9.810193933e-01 3.74 -9.507730975e-01 -9.507730975e-01 3.76 -9.208822021e-01 -9.208822021e-01 3.78 -8.913835382e-01 -8.913835382e-01 3.80 -8.623217285e-01 -8.623217285e-01 3.82 -8.337485975e-01 -8.337485975e-01 3.84 -8.057215176e-01 -8.057215176e-01 3.86 -7.783006795e-01 -7.783006795e-01 3.88 -7.515454873e-01 -7.515454873e-01 3.90 -7.255104791e-01 -7.255104791e-01 3.92 -7.002411220e-01 -7.002411220e-01 3.94 -6.757712777e-01 -6.757712777e-01 3.96 -6.521196263e-01 -6.521196263e-01 3.98 -6.292896900e-01 -6.292896900e-01 4.00 -6.072700277e-01 -6.072700277e-01 4.02 -5.860357988e-01 -5.860357988e-01 4.04 -5.655510827e-01 -5.655510827e-01 4.06 -5.457715531e-01 -5.457715531e-01 4.08 -5.266471539e-01 -5.266471539e-01 4.10 -5.081239721e-01 -5.081239721e-01 4.12 -4.901486377e-01 -4.901486377e-01 4.14 -4.726662468e-01 -4.726662468e-01 4.16 -4.556242616e-01 -4.556242616e-01 4.18 -4.389727977e-01 -4.389727977e-01 4.20 -4.226654363e-01 -4.226654363e-01 4.22 -4.066599571e-01 -4.066599571e-01 4.24 -3.909190769e-01 -3.909190769e-01 4.26 -3.754112461e-01 -3.754112461e-01 4.28 -3.601115262e-01 -3.601115262e-01 4.30 -3.450025259e-01 -3.450025259e-01 4.32 -3.300753347e-01 -3.300753347e-01 4.34 -3.153303521e-01 -3.153303521e-01 4.36 -3.007778756e-01 -3.007778756e-01 4.38 -2.864382933e-01 -2.864382933e-01 4.40 -2.723417320e-01 -2.723417320e-01 4.42 -2.585270461e-01 -2.585270461e-01 4.44 -2.450400980e-01 -2.450400980e-01 4.46 -2.319313741e-01 -2.319313741e-01 4.48 -2.192530822e-01 -2.192530822e-01 4.50 -2.070559717e-01 -2.070559717e-01 4.52 -1.953861825e-01 -1.953861825e-01 4.54 -1.842824413e-01 -1.842824413e-01 4.56 -1.737738851e-01 -1.737738851e-01 4.58 -1.638787021e-01 -1.638787021e-01 4.60 -1.546036651e-01 -1.546036651e-01 4.62 -1.459445109e-01 -1.459445109e-01 4.64 -1.378870236e-01 -1.378870236e-01 4.66 -1.304086156e-01 -1.304086156e-01 4.68 -1.234801825e-01 -1.234801825e-01 4.70 -1.170680224e-01 -1.170680224e-01 4.72 -1.111356524e-01 -1.111356524e-01 4.74 -1.056454070e-01 -1.056454070e-01 4.76 -1.005597608e-01 -1.005597608e-01 4.78 -9.584232491e-02 -9.584232491e-02 4.80 -9.145817405e-02 -9.145817405e-02 4.82 -8.737602113e-02 -8.737602113e-02 4.84 -8.356580576e-02 -8.356580576e-02 4.86 -8.000065722e-02 -8.000065722e-02 4.88 -7.665636992e-02 -7.665636992e-02 4.90 -7.351128846e-02 -7.351128846e-02 4.92 -7.054613837e-02 -7.054613837e-02 4.94 -6.774358098e-02 -6.774358098e-02 4.96 -6.508825337e-02 -6.508825337e-02 4.98 -6.256698996e-02 -6.256698996e-02 5.00 -6.016811483e-02 -6.016811483e-02 5.02 -5.788126814e-02 -5.788126814e-02 5.04 -5.569724844e-02 -5.569724844e-02 5.06 -5.360786834e-02 -5.360786834e-02 5.08 -5.160582517e-02 -5.160582517e-02 5.10 -4.968458748e-02 -4.968458748e-02 5.12 -4.783829709e-02 -4.783829709e-02 5.14 -4.606168620e-02 -4.606168620e-02 5.16 -4.435000866e-02 -4.435000866e-02 5.18 -4.269898451e-02 -4.269898451e-02 5.20 -4.110475672e-02 -4.110475672e-02 5.22 -3.956385886e-02 -3.956385886e-02 5.24 -3.807319262e-02 -3.807319262e-02 5.26 -3.663001348e-02 -3.663001348e-02 5.28 -3.523192276e-02 -3.523192276e-02 5.30 -3.387686405e-02 -3.387686405e-02 5.32 -3.256312119e-02 -3.256312119e-02 5.34 -3.128931507e-02 -3.128931507e-02 5.36 -3.005439617e-02 -3.005439617e-02 5.38 -2.885762926e-02 -2.885762926e-02 5.40 -2.769856816e-02 -2.769856816e-02 5.42 -2.657701826e-02 -2.657701826e-02 5.44 -2.549298637e-02 -2.549298637e-02 5.46 -2.444661882e-02 -2.444661882e-02 5.48 -2.343813084e-02 -2.343813084e-02 5.50 -2.246773142e-02 -2.246773142e-02 5.52 -2.153554962e-02 -2.153554962e-02 5.54 -2.064156803e-02 -2.064156803e-02 5.56 -1.978556890e-02 -1.978556890e-02 5.58 -1.896709708e-02 -1.896709708e-02 5.60 -1.818544179e-02 -1.818544179e-02 5.62 -1.743963721e-02 -1.743963721e-02 5.64 -1.672847974e-02 -1.672847974e-02 5.66 -1.605055857e-02 -1.605055857e-02 5.68 -1.540429491e-02 -1.540429491e-02 5.70 -1.478798579e-02 -1.478798579e-02 5.72 -1.419984808e-02 -1.419984808e-02 5.74 -1.363805934e-02 -1.363805934e-02 5.76 -1.310076700e-02 -1.310076700e-02 5.78 -1.258616258e-02 -1.258616258e-02 5.80 -1.209250706e-02 -1.209250706e-02 5.82 -1.161812836e-02 -1.161812836e-02 5.84 -1.116143312e-02 -1.116143312e-02 5.86 -1.072091395e-02 -1.072091395e-02 5.88 -1.029515322e-02 -1.029515322e-02 5.90 -9.882824490e-03 -9.882824490e-03 5.92 -9.482692450e-03 -9.482692450e-03 5.94 -9.093612400e-03 -9.093612400e-03 5.96 -8.714529816e-03 -8.714529816e-03 5.98 -8.344480647e-03 -8.344480647e-03 6.00 -7.982592702e-03 -7.982592702e-03