# 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 = CoMgPt2 # 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 3.291275145e+02 3.291275145e+02 1.30 3.058809464e+02 3.058809464e+02 1.32 2.842344538e+02 2.842344538e+02 1.34 2.640693940e+02 2.640693940e+02 1.36 2.452791630e+02 2.452791630e+02 1.38 2.277654897e+02 2.277654897e+02 1.40 2.114368382e+02 2.114368382e+02 1.42 1.962085640e+02 1.962085640e+02 1.44 1.820015882e+02 1.820015882e+02 1.46 1.687411543e+02 1.687411543e+02 1.48 1.563579289e+02 1.563579289e+02 1.50 1.447891185e+02 1.447891185e+02 1.52 1.339772567e+02 1.339772567e+02 1.54 1.238678398e+02 1.238678398e+02 1.56 1.144079413e+02 1.144079413e+02 1.58 1.055462236e+02 1.055462236e+02 1.60 9.723359974e+01 9.723359974e+01 1.62 8.942406728e+01 8.942406728e+01 1.64 8.207585679e+01 8.207585679e+01 1.66 7.515279683e+01 7.515279683e+01 1.68 6.862524553e+01 6.862524553e+01 1.70 6.247591949e+01 6.247591949e+01 1.72 5.678375644e+01 5.678375644e+01 1.74 5.155355605e+01 5.155355605e+01 1.76 4.675233072e+01 4.675233072e+01 1.78 4.234670183e+01 4.234670183e+01 1.80 3.830369423e+01 3.830369423e+01 1.82 3.459241404e+01 3.459241404e+01 1.84 3.118542305e+01 3.118542305e+01 1.86 2.805910462e+01 2.805910462e+01 1.88 2.519296799e+01 2.519296799e+01 1.90 2.256830431e+01 2.256830431e+01 1.92 2.016689409e+01 2.016689409e+01 1.94 1.797040960e+01 1.797040960e+01 1.96 1.596070421e+01 1.596070421e+01 1.98 1.412058331e+01 1.412058331e+01 2.00 1.243447660e+01 1.243447660e+01 2.02 1.088869435e+01 1.088869435e+01 2.04 9.471315184e+00 9.471315184e+00 2.06 8.171901162e+00 8.171901162e+00 2.08 6.981188272e+00 6.981188272e+00 2.10 5.890815747e+00 5.890815747e+00 2.12 4.893111555e+00 4.893111555e+00 2.14 3.980948952e+00 3.980948952e+00 2.16 3.147677797e+00 3.147677797e+00 2.18 2.387117029e+00 2.387117029e+00 2.20 1.693578078e+00 1.693578078e+00 2.22 1.061883902e+00 1.061883902e+00 2.24 4.873674032e-01 4.873674032e-01 2.26 -3.415310611e-02 -3.415310611e-02 2.28 -5.064160635e-01 -5.064160635e-01 2.30 -9.327686469e-01 -9.327686469e-01 2.32 -1.316228710e+00 -1.316228710e+00 2.34 -1.659550721e+00 -1.659550721e+00 2.36 -1.965295523e+00 -1.965295523e+00 2.38 -2.235898670e+00 -2.235898670e+00 2.40 -2.473732963e+00 -2.473732963e+00 2.42 -2.681159761e+00 -2.681159761e+00 2.44 -2.862353790e+00 -2.862353790e+00 2.46 -3.020896321e+00 -3.020896321e+00 2.48 -3.158388456e+00 -3.158388456e+00 2.50 -3.276580851e+00 -3.276580851e+00 2.52 -3.377329540e+00 -3.377329540e+00 2.54 -3.462529543e+00 -3.462529543e+00 2.56 -3.534027606e+00 -3.534027606e+00 2.58 -3.593526216e+00 -3.593526216e+00 2.60 -3.642525169e+00 -3.642525169e+00 2.62 -3.682234065e+00 -3.682234065e+00 2.64 -3.713520523e+00 -3.713520523e+00 2.66 -3.737010370e+00 -3.737010370e+00 2.68 -3.753140941e+00 -3.753140941e+00 2.70 -3.762219416e+00 -3.762219416e+00 2.72 -3.764475494e+00 -3.764475494e+00 2.74 -3.760101009e+00 -3.760101009e+00 2.76 -3.749275235e+00 -3.749275235e+00 2.78 -3.732170122e+00 -3.732170122e+00 2.80 -3.708936684e+00 -3.708936684e+00 2.82 -3.679742248e+00 -3.679742248e+00 2.84 -3.644785583e+00 -3.644785583e+00 2.86 -3.604306967e+00 -3.604306967e+00 2.88 -3.558603347e+00 -3.558603347e+00 2.90 -3.508046265e+00 -3.508046265e+00 2.92 -3.453098157e+00 -3.453098157e+00 2.94 -3.394320881e+00 -3.394320881e+00 2.96 -3.332370201e+00 -3.332370201e+00 2.98 -3.267972244e+00 -3.267972244e+00 3.00 -3.201882666e+00 -3.201882666e+00 3.02 -3.134834971e+00 -3.134834971e+00 3.04 -3.067488410e+00 -3.067488410e+00 3.06 -3.000387436e+00 -3.000387436e+00 3.08 -2.933937959e+00 -2.933937959e+00 3.10 -2.868405701e+00 -2.868405701e+00 3.12 -2.803930478e+00 -2.803930478e+00 3.14 -2.740552634e+00 -2.740552634e+00 3.16 -2.678240584e+00 -2.678240584e+00 3.18 -2.616919589e+00 -2.616919589e+00 3.20 -2.556494246e+00 -2.556494246e+00 3.22 -2.496871869e+00 -2.496871869e+00 3.24 -2.438052671e+00 -2.438052671e+00 3.26 -2.380089570e+00 -2.380089570e+00 3.28 -2.323021518e+00 -2.323021518e+00 3.30 -2.266879968e+00 -2.266879968e+00 3.32 -2.211693452e+00 -2.211693452e+00 3.34 -2.157489632e+00 -2.157489632e+00 3.36 -2.104295805e+00 -2.104295805e+00 3.38 -2.052138602e+00 -2.052138602e+00 3.40 -2.001043349e+00 -2.001043349e+00 3.42 -1.951033548e+00 -1.951033548e+00 3.44 -1.902130037e+00 -1.902130037e+00 3.46 -1.854350928e+00 -1.854350928e+00 3.48 -1.807722070e+00 -1.807722070e+00 3.50 -1.762250185e+00 -1.762250185e+00 3.52 -1.717930847e+00 -1.717930847e+00 3.54 -1.674755928e+00 -1.674755928e+00 3.56 -1.632713052e+00 -1.632713052e+00 3.58 -1.591785231e+00 -1.591785231e+00 3.60 -1.551950710e+00 -1.551950710e+00 3.62 -1.513183048e+00 -1.513183048e+00 3.64 -1.475451407e+00 -1.475451407e+00 3.66 -1.438721067e+00 -1.438721067e+00 3.68 -1.402952360e+00 -1.402952360e+00 3.70 -1.368092145e+00 -1.368092145e+00 3.72 -1.334082817e+00 -1.334082817e+00 3.74 -1.300869262e+00 -1.300869262e+00 3.76 -1.268399424e+00 -1.268399424e+00 3.78 -1.236624876e+00 -1.236624876e+00 3.80 -1.205501263e+00 -1.205501263e+00 3.82 -1.174988578e+00 -1.174988578e+00 3.84 -1.145051227e+00 -1.145051227e+00 3.86 -1.115657918e+00 -1.115657918e+00 3.88 -1.086781380e+00 -1.086781380e+00 3.90 -1.058398007e+00 -1.058398007e+00 3.92 -1.030487393e+00 -1.030487393e+00 3.94 -1.003032388e+00 -1.003032388e+00 3.96 -9.760184016e-01 -9.760184016e-01 3.98 -9.494338553e-01 -9.494338553e-01 4.00 -9.232703539e-01 -9.232703539e-01 4.02 -8.975231445e-01 -8.975231445e-01 4.04 -8.721916828e-01 -8.721916828e-01 4.06 -8.472801978e-01 -8.472801978e-01 4.08 -8.227981152e-01 -8.227981152e-01 4.10 -7.987600509e-01 -7.987600509e-01 4.12 -7.751861492e-01 -7.751861492e-01 4.14 -7.521003134e-01 -7.521003134e-01 4.16 -7.295295785e-01 -7.295295785e-01 4.18 -7.075021207e-01 -7.075021207e-01 4.20 -6.860451235e-01 -6.860451235e-01 4.22 -6.651825307e-01 -6.651825307e-01 4.24 -6.449329315e-01 -6.449329315e-01 4.26 -6.253078055e-01 -6.253078055e-01 4.28 -6.063102891e-01 -6.063102891e-01 4.30 -5.879345351e-01 -5.879345351e-01 4.32 -5.701656482e-01 -5.701656482e-01 4.34 -5.529801133e-01 -5.529801133e-01 4.36 -5.363465950e-01 -5.363465950e-01 4.38 -5.202269853e-01 -5.202269853e-01 4.40 -5.045775828e-01 -5.045775828e-01 4.42 -4.893503127e-01 -4.893503127e-01 4.44 -4.744939148e-01 -4.744939148e-01 4.46 -4.599550512e-01 -4.599550512e-01 4.48 -4.456793096e-01 -4.456793096e-01 4.50 -4.316120975e-01 -4.316120975e-01 4.52 -4.176994502e-01 -4.176994502e-01 4.54 -4.038887879e-01 -4.038887879e-01 4.56 -3.901296749e-01 -3.901296749e-01 4.58 -3.763746346e-01 -3.763746346e-01 4.60 -3.625800744e-01 -3.625800744e-01 4.62 -3.487073586e-01 -3.487073586e-01 4.64 -3.347240524e-01 -3.347240524e-01 4.66 -3.206053283e-01 -3.206053283e-01 4.68 -3.063354931e-01 -3.063354931e-01 4.70 -2.919095548e-01 -2.919095548e-01 4.72 -2.773347048e-01 -2.773347048e-01 4.74 -2.626315565e-01 -2.626315565e-01 4.76 -2.478349537e-01 -2.478349537e-01 4.78 -2.329941570e-01 -2.329941570e-01 4.80 -2.181720612e-01 -2.181720612e-01 4.82 -2.034444199e-01 -2.034444199e-01 4.84 -1.888962440e-01 -1.888962440e-01 4.86 -1.746193079e-01 -1.746193079e-01 4.88 -1.607079806e-01 -1.607079806e-01 4.90 -1.472549127e-01 -1.472549127e-01 4.92 -1.343467313e-01 -1.343467313e-01 4.94 -1.220601215e-01 -1.220601215e-01 4.96 -1.104586294e-01 -1.104586294e-01 4.98 -9.959043108e-02 -9.959043108e-02 5.00 -8.948719002e-02 -8.948719002e-02 5.02 -8.016399469e-02 -8.016399469e-02 5.04 -7.162025757e-02 -7.162025757e-02 5.06 -6.384137361e-02 -6.384137361e-02 5.08 -5.680089513e-02 -5.680089513e-02 5.10 -5.046297411e-02 -5.046297411e-02 5.12 -4.478485721e-02 -4.478485721e-02 5.14 -3.971925150e-02 -3.971925150e-02 5.16 -3.521643543e-02 -3.521643543e-02 5.18 -3.122605185e-02 -3.122605185e-02 5.20 -2.769852401e-02 -2.769852401e-02 5.22 -2.458617013e-02 -2.458617013e-02 5.24 -2.184398269e-02 -2.184398269e-02 5.26 -1.942988839e-02 -1.942988839e-02 5.28 -1.730474212e-02 -1.730474212e-02 5.30 -1.543443020e-02 -1.543443020e-02 5.32 -1.378808878e-02 -1.378808878e-02 5.34 -1.233797232e-02 -1.233797232e-02 5.36 -1.105954958e-02 -1.105954958e-02 5.38 -9.931218063e-03 -9.931218063e-03 5.40 -8.934117940e-03 -8.934117940e-03 5.42 -8.051658751e-03 -8.051658751e-03 5.44 -7.269439314e-03 -7.269439314e-03 5.46 -6.575006632e-03 -6.575006632e-03 5.48 -5.957611880e-03 -5.957611880e-03 5.50 -5.407980626e-03 -5.407980626e-03 5.52 -4.918101437e-03 -4.918101437e-03 5.54 -4.481035663e-03 -4.481035663e-03 5.56 -4.090749993e-03 -4.090749993e-03 5.58 -3.741972318e-03 -3.741972318e-03 5.60 -3.430070356e-03 -3.430070356e-03 5.62 -3.150951597e-03 -3.150951597e-03 5.64 -2.900982329e-03 -2.900982329e-03 5.66 -2.676923019e-03 -2.676923019e-03 5.68 -2.475877112e-03 -2.475877112e-03 5.70 -2.295250361e-03 -2.295250361e-03 5.72 -2.132718084e-03 -2.132718084e-03 5.74 -1.986198168e-03 -1.986198168e-03 5.76 -1.853828101e-03 -1.853828101e-03 5.78 -1.733944794e-03 -1.733944794e-03 5.80 -1.625066331e-03 -1.625066331e-03 5.82 -1.525875163e-03 -1.525875163e-03 5.84 -1.435202421e-03 -1.435202421e-03 5.86 -1.352013270e-03 -1.352013270e-03 5.88 -1.275393239e-03 -1.275393239e-03 5.90 -1.204535574e-03 -1.204535574e-03 5.92 -1.138729624e-03 -1.138729624e-03 5.94 -1.077350304e-03 -1.077350304e-03 5.96 -1.019848641e-03 -1.019848641e-03 5.98 -9.657433907e-04 -9.657433907e-04 6.00 -9.146137053e-04 -9.146137053e-04