# 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 = Cu2TaTi # 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 1.942853545e+02 1.942853545e+02 1.30 1.792084000e+02 1.792084000e+02 1.32 1.652819397e+02 1.652819397e+02 1.34 1.524122743e+02 1.524122743e+02 1.36 1.405158316e+02 1.405158316e+02 1.38 1.295174689e+02 1.295174689e+02 1.40 1.193486582e+02 1.193486582e+02 1.42 1.099462650e+02 1.099462650e+02 1.44 1.012516481e+02 1.012516481e+02 1.46 9.320973591e+01 9.320973591e+01 1.48 8.576812044e+01 8.576812044e+01 1.50 7.887664618e+01 7.887664618e+01 1.52 7.248783168e+01 7.248783168e+01 1.54 6.655781855e+01 6.655781855e+01 1.56 6.104724703e+01 6.104724703e+01 1.58 5.592170744e+01 5.592170744e+01 1.60 5.115172998e+01 5.115172998e+01 1.62 4.671237584e+01 4.671237584e+01 1.64 4.258246928e+01 4.258246928e+01 1.66 3.874356577e+01 3.874356577e+01 1.68 3.517888273e+01 3.517888273e+01 1.70 3.187245333e+01 3.187245333e+01 1.72 2.880901169e+01 2.880901169e+01 1.74 2.597733224e+01 2.597733224e+01 1.76 2.336322648e+01 2.336322648e+01 1.78 2.095185397e+01 2.095185397e+01 1.80 1.872890807e+01 1.872890807e+01 1.82 1.668082982e+01 1.668082982e+01 1.84 1.479482963e+01 1.479482963e+01 1.86 1.305904215e+01 1.305904215e+01 1.88 1.146233655e+01 1.146233655e+01 1.90 9.994173730e+00 9.994173730e+00 1.92 8.644493116e+00 8.644493116e+00 1.94 7.403670250e+00 7.403670250e+00 1.96 6.262563522e+00 6.262563522e+00 1.98 5.212623903e+00 5.212623903e+00 2.00 4.246010019e+00 4.246010019e+00 2.02 3.355664141e+00 3.355664141e+00 2.04 2.535339811e+00 2.535339811e+00 2.06 1.779589691e+00 1.779589691e+00 2.08 1.083718443e+00 1.083718443e+00 2.10 4.436994907e-01 4.436994907e-01 2.12 -1.439412464e-01 -1.439412464e-01 2.14 -6.822609573e-01 -6.822609573e-01 2.16 -1.174033255e+00 -1.174033255e+00 2.18 -1.621861574e+00 -1.621861574e+00 2.20 -2.028264861e+00 -2.028264861e+00 2.22 -2.395737381e+00 -2.395737381e+00 2.24 -2.726787797e+00 -2.726787797e+00 2.26 -3.023962961e+00 -3.023962961e+00 2.28 -3.289858958e+00 -3.289858958e+00 2.30 -3.527115788e+00 -3.527115788e+00 2.32 -3.738388531e+00 -3.738388531e+00 2.34 -3.926287749e+00 -3.926287749e+00 2.36 -4.093292662e+00 -4.093292662e+00 2.38 -4.241526604e+00 -4.241526604e+00 2.40 -4.373101973e+00 -4.373101973e+00 2.42 -4.489916527e+00 -4.489916527e+00 2.44 -4.593508201e+00 -4.593508201e+00 2.46 -4.685105818e+00 -4.685105818e+00 2.48 -4.765694063e+00 -4.765694063e+00 2.50 -4.835990402e+00 -4.835990402e+00 2.52 -4.896347440e+00 -4.896347440e+00 2.54 -4.947111793e+00 -4.947111793e+00 2.56 -4.988682395e+00 -4.988682395e+00 2.58 -5.021491791e+00 -5.021491791e+00 2.60 -5.045997908e+00 -5.045997908e+00 2.62 -5.062723151e+00 -5.062723151e+00 2.64 -5.072127968e+00 -5.072127968e+00 2.66 -5.074668841e+00 -5.074668841e+00 2.68 -5.070829676e+00 -5.070829676e+00 2.70 -5.061113419e+00 -5.061113419e+00 2.72 -5.046028524e+00 -5.046028524e+00 2.74 -5.026071037e+00 -5.026071037e+00 2.76 -5.001705342e+00 -5.001705342e+00 2.78 -4.973314886e+00 -4.973314886e+00 2.80 -4.941150776e+00 -4.941150776e+00 2.82 -4.905419177e+00 -4.905419177e+00 2.84 -4.866302235e+00 -4.866302235e+00 2.86 -4.824091762e+00 -4.824091762e+00 2.88 -4.779229302e+00 -4.779229302e+00 2.90 -4.731580568e+00 -4.731580568e+00 2.92 -4.681043592e+00 -4.681043592e+00 2.94 -4.627589707e+00 -4.627589707e+00 2.96 -4.571250199e+00 -4.571250199e+00 2.98 -4.512103380e+00 -4.512103380e+00 3.00 -4.450262927e+00 -4.450262927e+00 3.02 -4.385867362e+00 -4.385867362e+00 3.04 -4.319073286e+00 -4.319073286e+00 3.06 -4.250072366e+00 -4.250072366e+00 3.08 -4.179059268e+00 -4.179059268e+00 3.10 -4.106207007e+00 -4.106207007e+00 3.12 -4.031663020e+00 -4.031663020e+00 3.14 -3.955549832e+00 -3.955549832e+00 3.16 -3.877969329e+00 -3.877969329e+00 3.18 -3.799010349e+00 -3.799010349e+00 3.20 -3.718757725e+00 -3.718757725e+00 3.22 -3.637301638e+00 -3.637301638e+00 3.24 -3.554746086e+00 -3.554746086e+00 3.26 -3.471215467e+00 -3.471215467e+00 3.28 -3.386858509e+00 -3.386858509e+00 3.30 -3.301848967e+00 -3.301848967e+00 3.32 -3.216382884e+00 -3.216382884e+00 3.34 -3.130672631e+00 -3.130672631e+00 3.36 -3.044938435e+00 -3.044938435e+00 3.38 -2.959398528e+00 -2.959398528e+00 3.40 -2.874259251e+00 -2.874259251e+00 3.42 -2.789706533e+00 -2.789706533e+00 3.44 -2.705899529e+00 -2.705899529e+00 3.46 -2.622967287e+00 -2.622967287e+00 3.48 -2.541008192e+00 -2.541008192e+00 3.50 -2.460091784e+00 -2.460091784e+00 3.52 -2.380262132e+00 -2.380262132e+00 3.54 -2.301541879e+00 -2.301541879e+00 3.56 -2.223936301e+00 -2.223936301e+00 3.58 -2.147437076e+00 -2.147437076e+00 3.60 -2.072025915e+00 -2.072025915e+00 3.62 -1.997678456e+00 -1.997678456e+00 3.64 -1.924368889e+00 -1.924368889e+00 3.66 -1.852075509e+00 -1.852075509e+00 3.68 -1.780787016e+00 -1.780787016e+00 3.70 -1.710509020e+00 -1.710509020e+00 3.72 -1.641269953e+00 -1.641269953e+00 3.74 -1.573125573e+00 -1.573125573e+00 3.76 -1.506161321e+00 -1.506161321e+00 3.78 -1.440492007e+00 -1.440492007e+00 3.80 -1.376258573e+00 -1.376258573e+00 3.82 -1.313622014e+00 -1.313622014e+00 3.84 -1.252754830e+00 -1.252754830e+00 3.86 -1.193830780e+00 -1.193830780e+00 3.88 -1.137013927e+00 -1.137013927e+00 3.90 -1.082448111e+00 -1.082448111e+00 3.92 -1.030247947e+00 -1.030247947e+00 3.94 -9.804923815e-01 -9.804923815e-01 3.96 -9.332208634e-01 -9.332208634e-01 3.98 -8.884328457e-01 -8.884328457e-01 4.00 -8.460898160e-01 -8.460898160e-01 4.02 -8.061194746e-01 -8.061194746e-01 4.04 -7.684213048e-01 -7.684213048e-01 4.06 -7.328728214e-01 -7.328728214e-01 4.08 -6.993358869e-01 -6.993358869e-01 4.10 -6.676625842e-01 -6.676625842e-01 4.12 -6.377007383e-01 -6.377007383e-01 4.14 -6.092980050e-01 -6.092980050e-01 4.16 -5.823058416e-01 -5.823058416e-01 4.18 -5.565824076e-01 -5.565824076e-01 4.20 -5.319949419e-01 -5.319949419e-01 4.22 -5.084216709e-01 -5.084216709e-01 4.24 -4.857533652e-01 -4.857533652e-01 4.26 -4.638946288e-01 -4.638946288e-01 4.28 -4.427649598e-01 -4.427649598e-01 4.30 -4.222995707e-01 -4.222995707e-01 4.32 -4.024499044e-01 -4.024499044e-01 4.34 -3.831837414e-01 -3.831837414e-01 4.36 -3.644847700e-01 -3.644847700e-01 4.38 -3.463515004e-01 -3.463515004e-01 4.40 -3.287954420e-01 -3.287954420e-01 4.42 -3.118385394e-01 -3.118385394e-01 4.44 -2.955099657e-01 -2.955099657e-01 4.46 -2.798424744e-01 -2.798424744e-01 4.48 -2.648686051e-01 -2.648686051e-01 4.50 -2.506170839e-01 -2.506170839e-01 4.52 -2.371097497e-01 -2.371097497e-01 4.54 -2.243592756e-01 -2.243592756e-01 4.56 -2.123678372e-01 -2.123678372e-01 4.58 -2.011267567e-01 -2.011267567e-01 4.60 -1.906170264e-01 -1.906170264e-01 4.62 -1.808105284e-01 -1.808105284e-01 4.64 -1.716717162e-01 -1.716717162e-01 4.66 -1.631595254e-01 -1.631595254e-01 4.68 -1.552293073e-01 -1.552293073e-01 4.70 -1.478346268e-01 -1.478346268e-01 4.72 -1.409285888e-01 -1.409285888e-01 4.74 -1.344656151e-01 -1.344656151e-01 4.76 -1.284023529e-01 -1.284023529e-01 4.78 -1.226980952e-01 -1.226980952e-01 4.80 -1.173152804e-01 -1.173152804e-01 4.82 -1.122200049e-01 -1.122200049e-01 4.84 -1.073819318e-01 -1.073819318e-01 4.86 -1.027745524e-01 -1.027745524e-01 4.88 -9.837511917e-02 -9.837511917e-02 4.90 -9.416456517e-02 -9.416456517e-02 4.92 -9.012736148e-02 -9.012736148e-02 4.94 -8.625131079e-02 -8.625131079e-02 4.96 -8.252727129e-02 -8.252727129e-02 4.98 -7.894880692e-02 -7.894880692e-02 5.00 -7.551175539e-02 -7.551175539e-02 5.02 -7.221372893e-02 -7.221372893e-02 5.04 -6.905356750e-02 -6.905356750e-02 5.06 -6.603077580e-02 -6.603077580e-02 5.08 -6.314497718e-02 -6.314497718e-02 5.10 -6.039529248e-02 -6.039529248e-02 5.12 -5.778030336e-02 -5.778030336e-02 5.14 -5.529768221e-02 -5.529768221e-02 5.16 -5.294396386e-02 -5.294396386e-02 5.18 -5.071455085e-02 -5.071455085e-02 5.20 -4.860381929e-02 -4.860381929e-02 5.22 -4.660529555e-02 -4.660529555e-02 5.24 -4.471187225e-02 -4.471187225e-02 5.26 -4.291603485e-02 -4.291603485e-02 5.28 -4.121007627e-02 -4.121007627e-02 5.30 -3.958628431e-02 -3.958628431e-02 5.32 -3.803709383e-02 -3.803709383e-02 5.34 -3.655520173e-02 -3.655520173e-02 5.36 -3.513364704e-02 -3.513364704e-02 5.38 -3.376586128e-02 -3.376586128e-02 5.40 -3.244569564e-02 -3.244569564e-02 5.42 -3.116743172e-02 -3.116743172e-02 5.44 -2.992578238e-02 -2.992578238e-02 5.46 -2.871588840e-02 -2.871588840e-02 5.48 -2.753331584e-02 -2.753331584e-02 5.50 -2.637405764e-02 -2.637405764e-02 5.52 -2.523454238e-02 -2.523454238e-02 5.54 -2.411165180e-02 -2.411165180e-02 5.56 -2.300274721e-02 -2.300274721e-02 5.58 -2.190570463e-02 -2.190570463e-02 5.60 -2.081895644e-02 -2.081895644e-02 5.62 -1.974153615e-02 -1.974153615e-02 5.64 -1.867312161e-02 -1.867312161e-02 5.66 -1.761407073e-02 -1.761407073e-02 5.68 -1.656544295e-02 -1.656544295e-02 5.70 -1.552899909e-02 -1.552899909e-02 5.72 -1.450717315e-02 -1.450717315e-02 5.74 -1.350301060e-02 -1.350301060e-02 5.76 -1.252006850e-02 -1.252006850e-02 5.78 -1.156217456e-02 -1.156217456e-02 5.80 -1.063346286e-02 -1.063346286e-02 5.82 -9.738175247e-03 -9.738175247e-03 5.84 -8.880384056e-03 -8.880384056e-03 5.86 -8.063801908e-03 -8.063801908e-03 5.88 -7.291611975e-03 -7.291611975e-03 5.90 -6.566331631e-03 -6.566331631e-03 5.92 -5.889718946e-03 -5.889718946e-03 5.94 -5.262726788e-03 -5.262726788e-03 5.96 -4.685504296e-03 -4.685504296e-03 5.98 -4.157440960e-03 -4.157440960e-03 6.00 -3.677245168e-03 -3.677245168e-03