# 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 = AuCu2Pd # 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 2.011752510e+02 2.011752510e+02 1.30 1.857348532e+02 1.857348532e+02 1.32 1.714544183e+02 1.714544183e+02 1.34 1.582462411e+02 1.582462411e+02 1.36 1.460271282e+02 1.460271282e+02 1.38 1.347173658e+02 1.347173658e+02 1.40 1.242418113e+02 1.242418113e+02 1.42 1.145312630e+02 1.145312630e+02 1.44 1.055233589e+02 1.055233589e+02 1.46 9.716289250e+01 9.716289250e+01 1.48 8.940131483e+01 8.940131483e+01 1.50 8.219539195e+01 8.219539195e+01 1.52 7.550541350e+01 7.550541350e+01 1.54 6.929364172e+01 6.929364172e+01 1.56 6.352358139e+01 6.352358139e+01 1.58 5.816015259e+01 5.816015259e+01 1.60 5.317043618e+01 5.317043618e+01 1.62 4.853159911e+01 4.853159911e+01 1.64 4.423335861e+01 4.423335861e+01 1.66 4.026116090e+01 4.026116090e+01 1.68 3.659089335e+01 3.659089335e+01 1.70 3.320082701e+01 3.320082701e+01 1.72 3.007102533e+01 3.007102533e+01 1.74 2.718302702e+01 2.718302702e+01 1.76 2.451972939e+01 2.451972939e+01 1.78 2.206526503e+01 2.206526503e+01 1.80 1.980477841e+01 1.980477841e+01 1.82 1.772419117e+01 1.772419117e+01 1.84 1.581008846e+01 1.581008846e+01 1.86 1.404973205e+01 1.404973205e+01 1.88 1.243111150e+01 1.243111150e+01 1.90 1.094297961e+01 1.094297961e+01 1.92 9.574883190e+00 9.574883190e+00 1.94 8.317204117e+00 8.317204117e+00 1.96 7.161190867e+00 7.161190867e+00 1.98 6.098949748e+00 6.098949748e+00 2.00 5.123386618e+00 5.123386618e+00 2.02 4.228113207e+00 4.228113207e+00 2.04 3.407337634e+00 3.407337634e+00 2.06 2.655754981e+00 2.655754981e+00 2.08 1.968451757e+00 1.968451757e+00 2.10 1.340835445e+00 1.340835445e+00 2.12 7.685923683e-01 7.685923683e-01 2.14 2.476671829e-01 2.476671829e-01 2.16 -2.257471965e-01 -2.257471965e-01 2.18 -6.552172455e-01 -6.552172455e-01 2.20 -1.044075656e+00 -1.044075656e+00 2.22 -1.395425301e+00 -1.395425301e+00 2.24 -1.712140417e+00 -1.712140417e+00 2.26 -1.996870457e+00 -1.996870457e+00 2.28 -2.252054632e+00 -2.252054632e+00 2.30 -2.479950054e+00 -2.479950054e+00 2.32 -2.682666390e+00 -2.682666390e+00 2.34 -2.862193461e+00 -2.862193461e+00 2.36 -3.020411930e+00 -3.020411930e+00 2.38 -3.159088557e+00 -3.159088557e+00 2.40 -3.279866975e+00 -3.279866975e+00 2.42 -3.384265548e+00 -3.384265548e+00 2.44 -3.473686584e+00 -3.473686584e+00 2.46 -3.549432831e+00 -3.549432831e+00 2.48 -3.612723009e+00 -3.612723009e+00 2.50 -3.664699636e+00 -3.664699636e+00 2.52 -3.706484448e+00 -3.706484448e+00 2.54 -3.739471887e+00 -3.739471887e+00 2.56 -3.764383377e+00 -3.764383377e+00 2.58 -3.781765538e+00 -3.781765538e+00 2.60 -3.792192245e+00 -3.792192245e+00 2.62 -3.796627535e+00 -3.796627535e+00 2.64 -3.795223396e+00 -3.795223396e+00 2.66 -3.787980965e+00 -3.787980965e+00 2.68 -3.775005168e+00 -3.775005168e+00 2.70 -3.756516680e+00 -3.756516680e+00 2.72 -3.732810268e+00 -3.732810268e+00 2.74 -3.704217964e+00 -3.704217964e+00 2.76 -3.671095527e+00 -3.671095527e+00 2.78 -3.633843364e+00 -3.633843364e+00 2.80 -3.592854989e+00 -3.592854989e+00 2.82 -3.548485100e+00 -3.548485100e+00 2.84 -3.501053994e+00 -3.501053994e+00 2.86 -3.450858038e+00 -3.450858038e+00 2.88 -3.398182076e+00 -3.398182076e+00 2.90 -3.343309966e+00 -3.343309966e+00 2.92 -3.286530589e+00 -3.286530589e+00 2.94 -3.228138418e+00 -3.228138418e+00 2.96 -3.168429488e+00 -3.168429488e+00 2.98 -3.107694762e+00 -3.107694762e+00 3.00 -3.046213146e+00 -3.046213146e+00 3.02 -2.984245748e+00 -2.984245748e+00 3.04 -2.922031888e+00 -2.922031888e+00 3.06 -2.859786464e+00 -2.859786464e+00 3.08 -2.797697977e+00 -2.797697977e+00 3.10 -2.735926792e+00 -2.735926792e+00 3.12 -2.674603768e+00 -2.674603768e+00 3.14 -2.613829739e+00 -2.613829739e+00 3.16 -2.553676307e+00 -2.553676307e+00 3.18 -2.494188174e+00 -2.494188174e+00 3.20 -2.435386835e+00 -2.435386835e+00 3.22 -2.377275217e+00 -2.377275217e+00 3.24 -2.319842800e+00 -2.319842800e+00 3.26 -2.263070768e+00 -2.263070768e+00 3.28 -2.206936882e+00 -2.206936882e+00 3.30 -2.151419787e+00 -2.151419787e+00 3.32 -2.096502585e+00 -2.096502585e+00 3.34 -2.042175493e+00 -2.042175493e+00 3.36 -1.988437475e+00 -1.988437475e+00 3.38 -1.935296818e+00 -1.935296818e+00 3.40 -1.882770690e+00 -1.882770690e+00 3.42 -1.830883838e+00 -1.830883838e+00 3.44 -1.779666658e+00 -1.779666658e+00 3.46 -1.729152875e+00 -1.729152875e+00 3.48 -1.679377137e+00 -1.679377137e+00 3.50 -1.630372736e+00 -1.630372736e+00 3.52 -1.582169646e+00 -1.582169646e+00 3.54 -1.534793000e+00 -1.534793000e+00 3.56 -1.488262074e+00 -1.488262074e+00 3.58 -1.442589786e+00 -1.442589786e+00 3.60 -1.397782712e+00 -1.397782712e+00 3.62 -1.353841574e+00 -1.353841574e+00 3.64 -1.310762178e+00 -1.310762178e+00 3.66 -1.268536730e+00 -1.268536730e+00 3.68 -1.227155480e+00 -1.227155480e+00 3.70 -1.186608583e+00 -1.186608583e+00 3.72 -1.146888051e+00 -1.146888051e+00 3.74 -1.107989605e+00 -1.107989605e+00 3.76 -1.069914197e+00 -1.069914197e+00 3.78 -1.032668952e+00 -1.032668952e+00 3.80 -9.962673012e-01 -9.962673012e-01 3.82 -9.607281377e-01 -9.607281377e-01 3.84 -9.260739949e-01 -9.260739949e-01 3.86 -8.923284013e-01 -8.923284013e-01 3.88 -8.595127593e-01 -8.595127593e-01 3.90 -8.276432121e-01 -8.276432121e-01 3.92 -7.967279936e-01 -7.967279936e-01 3.94 -7.667656685e-01 -7.667656685e-01 3.96 -7.377444872e-01 -7.377444872e-01 3.98 -7.096428791e-01 -7.096428791e-01 4.00 -6.824308929e-01 -6.824308929e-01 4.02 -6.560722732e-01 -6.560722732e-01 4.04 -6.305268035e-01 -6.305268035e-01 4.06 -6.057525729e-01 -6.057525729e-01 4.08 -5.817079028e-01 -5.817079028e-01 4.10 -5.583527693e-01 -5.583527693e-01 4.12 -5.356496866e-01 -5.356496866e-01 4.14 -5.135640838e-01 -5.135640838e-01 4.16 -4.920643350e-01 -4.920643350e-01 4.18 -4.711215999e-01 -4.711215999e-01 4.20 -4.507096667e-01 -4.507096667e-01 4.22 -4.308049489e-01 -4.308049489e-01 4.24 -4.113867282e-01 -4.113867282e-01 4.26 -3.924376579e-01 -3.924376579e-01 4.28 -3.739444668e-01 -3.739444668e-01 4.30 -3.558987421e-01 -3.558987421e-01 4.32 -3.382976334e-01 -3.382976334e-01 4.34 -3.211443128e-01 -3.211443128e-01 4.36 -3.044480445e-01 -3.044480445e-01 4.38 -2.882237564e-01 -2.882237564e-01 4.40 -2.724910665e-01 -2.724910665e-01 4.42 -2.572727832e-01 -2.572727832e-01 4.44 -2.425929794e-01 -2.425929794e-01 4.46 -2.284748060e-01 -2.284748060e-01 4.48 -2.149382694e-01 -2.149382694e-01 4.50 -2.019982177e-01 -2.019982177e-01 4.52 -1.896627659e-01 -1.896627659e-01 4.54 -1.779323359e-01 -1.779323359e-01 4.56 -1.667994030e-01 -1.667994030e-01 4.58 -1.562489425e-01 -1.562489425e-01 4.60 -1.462594798e-01 -1.462594798e-01 4.62 -1.368045789e-01 -1.368045789e-01 4.64 -1.278545884e-01 -1.278545884e-01 4.66 -1.193784281e-01 -1.193784281e-01 4.68 -1.113452364e-01 -1.113452364e-01 4.70 -1.037257410e-01 -1.037257410e-01 4.72 -9.649314315e-02 -9.649314315e-02 4.74 -8.962382339e-02 -8.962382339e-02 4.76 -8.309815057e-02 -8.309815057e-02 4.78 -7.689986038e-02 -7.689986038e-02 4.80 -7.101568691e-02 -7.101568691e-02 4.82 -6.543492788e-02 -6.543492788e-02 4.84 -6.014890521e-02 -6.014890521e-02 4.86 -5.515042078e-02 -5.515042078e-02 4.88 -5.043325864e-02 -5.043325864e-02 4.90 -4.599177301e-02 -4.599177301e-02 4.92 -4.182057011e-02 -4.182057011e-02 4.94 -3.791427250e-02 -3.791427250e-02 4.96 -3.426734314e-02 -3.426734314e-02 4.98 -3.087394431e-02 -3.087394431e-02 5.00 -2.772781178e-02 -2.772781178e-02 5.02 -2.482213534e-02 -2.482213534e-02 5.04 -2.214944680e-02 -2.214944680e-02 5.06 -1.970152460e-02 -1.970152460e-02 5.08 -1.746933263e-02 -1.746933263e-02 5.10 -1.544300362e-02 -1.544300362e-02 5.12 -1.361187631e-02 -1.361187631e-02 5.14 -1.196447758e-02 -1.196447758e-02 5.16 -1.048868330e-02 -1.048868330e-02 5.18 -9.172392584e-03 -9.172392584e-03 5.20 -8.003259071e-03 -8.003259071e-03 5.22 -6.968897217e-03 -6.968897217e-03 5.24 -6.057102583e-03 -6.057102583e-03 5.26 -5.256043985e-03 -5.256043985e-03 5.28 -4.554420863e-03 -4.554420863e-03 5.30 -3.941583084e-03 -3.941583084e-03 5.32 -3.407613628e-03 -3.407613628e-03 5.34 -2.943377087e-03 -2.943377087e-03 5.36 -2.540538472e-03 -2.540538472e-03 5.38 -2.191557605e-03 -2.191557605e-03 5.40 -1.889664507e-03 -1.889664507e-03 5.42 -1.628820915e-03 -1.628820915e-03 5.44 -1.403672441e-03 -1.403672441e-03 5.46 -1.209495219e-03 -1.209495219e-03 5.48 -1.042140075e-03 -1.042140075e-03 5.50 -8.979765859e-04 -8.979765859e-04 5.52 -7.738387480e-04 -7.738387480e-04 5.54 -6.669734301e-04 -6.669734301e-04 5.56 -5.749923627e-04 -5.749923627e-04 5.58 -4.958280741e-04 -4.958280741e-04 5.60 -4.276939266e-04 -4.276939266e-04 5.62 -3.690482278e-04 -3.690482278e-04 5.64 -3.185622587e-04 -3.185622587e-04 5.66 -2.750919862e-04 -2.750919862e-04 5.68 -2.376531746e-04 -2.376531746e-04 5.70 -2.053995931e-04 -2.053995931e-04 5.72 -1.776040090e-04 -1.776040090e-04 5.74 -1.536416678e-04 -1.536416678e-04 5.76 -1.329759728e-04 -1.329759728e-04 5.78 -1.151461032e-04 -1.151461032e-04 5.80 -9.975632736e-05 -9.975632736e-05 5.82 -8.646679530e-05 -8.646679530e-05 5.84 -7.498561605e-05 -7.498561605e-05 5.86 -6.506204780e-05 -6.506204780e-05 5.88 -5.648064997e-05 -5.648064997e-05 5.90 -4.905626463e-05 -4.905626463e-05 5.92 -4.262971208e-05 -4.262971208e-05 5.94 -3.706410023e-05 -3.706410023e-05 5.96 -3.224166126e-05 -3.224166126e-05 5.98 -2.806104063e-05 -2.806104063e-05 6.00 -2.443497388e-05 -2.443497388e-05