# 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 = CoTa2Ti # 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 2.903392274e+02 2.903392274e+02 1.30 2.686266251e+02 2.686266251e+02 1.32 2.485473395e+02 2.485473395e+02 1.34 2.299672363e+02 2.299672363e+02 1.36 2.127653284e+02 2.127653284e+02 1.38 1.968323839e+02 1.968323839e+02 1.40 1.820696613e+02 1.820696613e+02 1.42 1.683876724e+02 1.683876724e+02 1.44 1.557047020e+02 1.557047020e+02 1.46 1.439451958e+02 1.439451958e+02 1.48 1.330383147e+02 1.330383147e+02 1.50 1.229169714e+02 1.229169714e+02 1.52 1.135176455e+02 1.135176455e+02 1.54 1.047810466e+02 1.047810466e+02 1.56 9.665320826e+01 9.665320826e+01 1.58 8.908624507e+01 8.908624507e+01 1.60 8.203827842e+01 8.203827842e+01 1.62 7.547264377e+01 7.547264377e+01 1.64 6.935680337e+01 6.935680337e+01 1.66 6.366130941e+01 6.366130941e+01 1.68 5.835900127e+01 5.835900127e+01 1.70 5.342449572e+01 5.342449572e+01 1.72 4.883391016e+01 4.883391016e+01 1.74 4.456469923e+01 4.456469923e+01 1.76 4.059553134e+01 4.059553134e+01 1.78 3.690621687e+01 3.690621687e+01 1.80 3.347771113e+01 3.347771113e+01 1.82 3.029215934e+01 3.029215934e+01 1.84 2.733291751e+01 2.733291751e+01 1.86 2.458450936e+01 2.458450936e+01 1.88 2.203509440e+01 2.203509440e+01 1.90 1.967811389e+01 1.967811389e+01 1.92 1.750051851e+01 1.750051851e+01 1.94 1.548956573e+01 1.548956573e+01 1.96 1.363343976e+01 1.363343976e+01 1.98 1.192025940e+01 1.192025940e+01 2.00 1.033849059e+01 1.033849059e+01 2.02 8.877316726e+00 8.877316726e+00 2.04 7.526825337e+00 7.526825337e+00 2.06 6.278148287e+00 6.278148287e+00 2.08 5.123509304e+00 5.123509304e+00 2.10 4.056166855e+00 4.056166855e+00 2.12 3.070273047e+00 3.070273047e+00 2.14 2.160690454e+00 2.160690454e+00 2.16 1.322811148e+00 1.322811148e+00 2.18 5.524067394e-01 5.524067394e-01 2.20 -1.544833593e-01 -1.544833593e-01 2.22 -8.016337006e-01 -8.016337006e-01 2.24 -1.392694462e+00 -1.392694462e+00 2.26 -1.931238105e+00 -1.931238105e+00 2.28 -2.420791315e+00 -2.420791315e+00 2.30 -2.864850167e+00 -2.864850167e+00 2.32 -3.266877055e+00 -3.266877055e+00 2.34 -3.630276166e+00 -3.630276166e+00 2.36 -3.958348847e+00 -3.958348847e+00 2.38 -4.254235143e+00 -4.254235143e+00 2.40 -4.520854400e+00 -4.520854400e+00 2.42 -4.760858707e+00 -4.760858707e+00 2.44 -4.976608646e+00 -4.976608646e+00 2.46 -5.170174407e+00 -5.170174407e+00 2.48 -5.343358385e+00 -5.343358385e+00 2.50 -5.497731678e+00 -5.497731678e+00 2.52 -5.634676158e+00 -5.634676158e+00 2.54 -5.755425494e+00 -5.755425494e+00 2.56 -5.861074419e+00 -5.861074419e+00 2.58 -5.952472591e+00 -5.952472591e+00 2.60 -6.030731364e+00 -6.030731364e+00 2.62 -6.096939065e+00 -6.096939065e+00 2.64 -6.152081166e+00 -6.152081166e+00 2.66 -6.197044172e+00 -6.197044172e+00 2.68 -6.232620619e+00 -6.232620619e+00 2.70 -6.259516827e+00 -6.259516827e+00 2.72 -6.278358729e+00 -6.278358729e+00 2.74 -6.289511432e+00 -6.289511432e+00 2.76 -6.293060927e+00 -6.293060927e+00 2.78 -6.289117445e+00 -6.289117445e+00 2.80 -6.277826818e+00 -6.277826818e+00 2.82 -6.259360604e+00 -6.259360604e+00 2.84 -6.233909940e+00 -6.233909940e+00 2.86 -6.201695092e+00 -6.201695092e+00 2.88 -6.162994804e+00 -6.162994804e+00 2.90 -6.118023144e+00 -6.118023144e+00 2.92 -6.066962941e+00 -6.066962941e+00 2.94 -6.010026832e+00 -6.010026832e+00 2.96 -5.947456098e+00 -5.947456098e+00 2.98 -5.879518542e+00 -5.879518542e+00 3.00 -5.806505362e+00 -5.806505362e+00 3.02 -5.728725723e+00 -5.728725723e+00 3.04 -5.646493921e+00 -5.646493921e+00 3.06 -5.560060103e+00 -5.560060103e+00 3.08 -5.469594380e+00 -5.469594380e+00 3.10 -5.375256129e+00 -5.375256129e+00 3.12 -5.277202527e+00 -5.277202527e+00 3.14 -5.175589640e+00 -5.175589640e+00 3.16 -5.070580907e+00 -5.070580907e+00 3.18 -4.962361524e+00 -4.962361524e+00 3.20 -4.851154474e+00 -4.851154474e+00 3.22 -4.737235180e+00 -4.737235180e+00 3.24 -4.620941855e+00 -4.620941855e+00 3.26 -4.502679459e+00 -4.502679459e+00 3.28 -4.382915971e+00 -4.382915971e+00 3.30 -4.262170652e+00 -4.262170652e+00 3.32 -4.140994977e+00 -4.140994977e+00 3.34 -4.019948043e+00 -4.019948043e+00 3.36 -3.899569122e+00 -3.899569122e+00 3.38 -3.780350593e+00 -3.780350593e+00 3.40 -3.662714418e+00 -3.662714418e+00 3.42 -3.546994817e+00 -3.546994817e+00 3.44 -3.433428549e+00 -3.433428549e+00 3.46 -3.322153369e+00 -3.322153369e+00 3.48 -3.213213704e+00 -3.213213704e+00 3.50 -3.106572021e+00 -3.106572021e+00 3.52 -3.002123855e+00 -3.002123855e+00 3.54 -2.899714511e+00 -2.899714511e+00 3.56 -2.799155805e+00 -2.799155805e+00 3.58 -2.700241820e+00 -2.700241820e+00 3.60 -2.602763293e+00 -2.602763293e+00 3.62 -2.506520684e+00 -2.506520684e+00 3.64 -2.411336271e+00 -2.411336271e+00 3.66 -2.317065461e+00 -2.317065461e+00 3.68 -2.223607284e+00 -2.223607284e+00 3.70 -2.130913619e+00 -2.130913619e+00 3.72 -2.038996441e+00 -2.038996441e+00 3.74 -1.947932243e+00 -1.947932243e+00 3.76 -1.857862817e+00 -1.857862817e+00 3.78 -1.768991832e+00 -1.768991832e+00 3.80 -1.681577001e+00 -1.681577001e+00 3.82 -1.595918091e+00 -1.595918091e+00 3.84 -1.512341515e+00 -1.512341515e+00 3.86 -1.431182685e+00 -1.431182685e+00 3.88 -1.352767611e+00 -1.352767611e+00 3.90 -1.277395339e+00 -1.277395339e+00 3.92 -1.205322716e+00 -1.205322716e+00 3.94 -1.136752774e+00 -1.136752774e+00 3.96 -1.071827156e+00 -1.071827156e+00 3.98 -1.010623230e+00 -1.010623230e+00 4.00 -9.531552628e-01 -9.531552628e-01 4.02 -8.993791506e-01 -8.993791506e-01 4.04 -8.491997694e-01 -8.491997694e-01 4.06 -8.024799791e-01 -8.024799791e-01 4.08 -7.590503473e-01 -7.590503473e-01 4.10 -7.187187270e-01 -7.187187270e-01 4.12 -6.812796180e-01 -6.812796180e-01 4.14 -6.465215622e-01 -6.465215622e-01 4.16 -6.142342241e-01 -6.142342241e-01 4.18 -5.842136207e-01 -5.842136207e-01 4.20 -5.562661248e-01 -5.562661248e-01 4.22 -5.302112113e-01 -5.302112113e-01 4.24 -5.058830623e-01 -5.058830623e-01 4.26 -4.831311647e-01 -4.831311647e-01 4.28 -4.618200560e-01 -4.618200560e-01 4.30 -4.418283981e-01 -4.418283981e-01 4.32 -4.230475801e-01 -4.230475801e-01 4.34 -4.053800657e-01 -4.053800657e-01 4.36 -3.887376948e-01 -3.887376948e-01 4.38 -3.730401175e-01 -3.730401175e-01 4.40 -3.582134846e-01 -3.582134846e-01 4.42 -3.441894500e-01 -3.441894500e-01 4.44 -3.309044770e-01 -3.309044770e-01 4.46 -3.182993994e-01 -3.182993994e-01 4.48 -3.063191569e-01 -3.063191569e-01 4.50 -2.949124928e-01 -2.949124928e-01 4.52 -2.840319417e-01 -2.840319417e-01 4.54 -2.736340820e-01 -2.736340820e-01 4.56 -2.636788583e-01 -2.636788583e-01 4.58 -2.541294177e-01 -2.541294177e-01 4.60 -2.449519187e-01 -2.449519187e-01 4.62 -2.361153141e-01 -2.361153141e-01 4.64 -2.275911321e-01 -2.275911321e-01 4.66 -2.193532751e-01 -2.193532751e-01 4.68 -2.113778554e-01 -2.113778554e-01 4.70 -2.036430795e-01 -2.036430795e-01 4.72 -1.961291910e-01 -1.961291910e-01 4.74 -1.888184760e-01 -1.888184760e-01 4.76 -1.816953330e-01 -1.816953330e-01 4.78 -1.747463977e-01 -1.747463977e-01 4.80 -1.679606710e-01 -1.679606710e-01 4.82 -1.613298855e-01 -1.613298855e-01 4.84 -1.548484140e-01 -1.548484140e-01 4.86 -1.485136002e-01 -1.485136002e-01 4.88 -1.423257601e-01 -1.423257601e-01 4.90 -1.362881056e-01 -1.362881056e-01 4.92 -1.304065075e-01 -1.304065075e-01 4.94 -1.246890788e-01 -1.246890788e-01 4.96 -1.191455815e-01 -1.191455815e-01 4.98 -1.137866871e-01 -1.137866871e-01 5.00 -1.086231436e-01 -1.086231436e-01 5.02 -1.036649220e-01 -1.036649220e-01 5.04 -9.892041961e-02 -9.892041961e-02 5.06 -9.439579699e-02 -9.439579699e-02 5.08 -9.009447525e-02 -9.009447525e-02 5.10 -8.601683532e-02 -8.601683532e-02 5.12 -8.216042258e-02 -8.216042258e-02 5.14 -7.851995747e-02 -7.851995747e-02 5.16 -7.508764640e-02 -7.508764640e-02 5.18 -7.185362500e-02 -7.185362500e-02 5.20 -6.880645573e-02 -6.880645573e-02 5.22 -6.593363057e-02 -6.593363057e-02 5.24 -6.322203986e-02 -6.322203986e-02 5.26 -6.065838066e-02 -6.065838066e-02 5.28 -5.822949036e-02 -5.822949036e-02 5.30 -5.592260167e-02 -5.592260167e-02 5.32 -5.372552317e-02 -5.372552317e-02 5.34 -5.162675507e-02 -5.162675507e-02 5.36 -4.961554996e-02 -4.961554996e-02 5.38 -4.768193505e-02 -4.768193505e-02 5.40 -4.581670607e-02 -4.581670607e-02 5.42 -4.401140405e-02 -4.401140405e-02 5.44 -4.225828460e-02 -4.225828460e-02 5.46 -4.055028751e-02 -4.055028751e-02 5.48 -3.888101264e-02 -3.888101264e-02 5.50 -3.724470655e-02 -3.724470655e-02 5.52 -3.563626288e-02 -3.563626288e-02 5.54 -3.405123754e-02 -3.405123754e-02 5.56 -3.248588089e-02 -3.248588089e-02 5.58 -3.093718211e-02 -3.093718211e-02 5.60 -2.940292386e-02 -2.940292386e-02 5.62 -2.788174294e-02 -2.788174294e-02 5.64 -2.637318960e-02 -2.637318960e-02 5.66 -2.487777665e-02 -2.487777665e-02 5.68 -2.339700890e-02 -2.339700890e-02 5.70 -2.193338235e-02 -2.193338235e-02 5.72 -2.049034390e-02 -2.049034390e-02 5.74 -1.907220381e-02 -1.907220381e-02 5.76 -1.768399546e-02 -1.768399546e-02 5.78 -1.633114620e-02 -1.633114620e-02 5.80 -1.501949740e-02 -1.501949740e-02 5.82 -1.375504115e-02 -1.375504115e-02 5.84 -1.254352991e-02 -1.254352991e-02 5.86 -1.139020808e-02 -1.139020808e-02 5.88 -1.029957237e-02 -1.029957237e-02 5.90 -9.275179341e-03 -9.275179341e-03 5.92 -8.319513363e-03 -8.319513363e-03 5.94 -7.433921746e-03 -7.433921746e-03 5.96 -6.618616772e-03 -6.618616772e-03 5.98 -5.872737883e-03 -5.872737883e-03 6.00 -5.194462520e-03 -5.194462520e-03