# 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 = AlAu2Cu # 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 2.059302960e+02 2.059302960e+02 1.30 1.908472979e+02 1.908472979e+02 1.32 1.768692267e+02 1.768692267e+02 1.34 1.639110491e+02 1.639110491e+02 1.36 1.518931489e+02 1.518931489e+02 1.38 1.407402489e+02 1.407402489e+02 1.40 1.303819158e+02 1.303819158e+02 1.42 1.207534665e+02 1.207534665e+02 1.44 1.117967034e+02 1.117967034e+02 1.46 1.034602537e+02 1.034602537e+02 1.48 9.569907536e+01 9.569907536e+01 1.50 8.847292580e+01 8.847292580e+01 1.52 8.174443476e+01 8.174443476e+01 1.54 7.547778048e+01 7.547778048e+01 1.56 6.963835671e+01 6.963835671e+01 1.58 6.419312680e+01 6.419312680e+01 1.60 5.911124929e+01 5.911124929e+01 1.62 5.436467417e+01 5.436467417e+01 1.64 4.992847104e+01 4.992847104e+01 1.66 4.578749751e+01 4.578749751e+01 1.68 4.194307014e+01 4.194307014e+01 1.70 3.837650978e+01 3.837650978e+01 1.72 3.506894467e+01 3.506894467e+01 1.74 3.200421460e+01 3.200421460e+01 1.76 2.916605152e+01 2.916605152e+01 1.78 2.653859150e+01 2.653859150e+01 1.80 2.410681026e+01 2.410681026e+01 1.82 2.185640633e+01 2.185640633e+01 1.84 1.977381524e+01 1.977381524e+01 1.86 1.784632432e+01 1.784632432e+01 1.88 1.606217719e+01 1.606217719e+01 1.90 1.441059250e+01 1.441059250e+01 1.92 1.288170450e+01 1.288170450e+01 1.94 1.146647994e+01 1.146647994e+01 1.96 1.015665620e+01 1.015665620e+01 1.98 8.944700900e+00 8.944700900e+00 2.00 7.823762257e+00 7.823762257e+00 2.02 6.787588146e+00 6.787588146e+00 2.04 5.830423564e+00 5.830423564e+00 2.06 4.946913276e+00 4.946913276e+00 2.08 4.132028959e+00 4.132028959e+00 2.10 3.381024733e+00 3.381024733e+00 2.12 2.689415238e+00 2.689415238e+00 2.14 2.052968024e+00 2.052968024e+00 2.16 1.467703146e+00 1.467703146e+00 2.18 9.298957138e-01 9.298957138e-01 2.20 4.360795486e-01 4.360795486e-01 2.22 -1.694950887e-02 -1.694950887e-02 2.24 -4.321330284e-01 -4.321330284e-01 2.26 -8.121554370e-01 -8.121554370e-01 2.28 -1.159458102e+00 -1.159458102e+00 2.30 -1.476262147e+00 -1.476262147e+00 2.32 -1.764597091e+00 -1.764597091e+00 2.34 -2.026329942e+00 -2.026329942e+00 2.36 -2.263190012e+00 -2.263190012e+00 2.38 -2.476787738e+00 -2.476787738e+00 2.40 -2.668629409e+00 -2.668629409e+00 2.42 -2.840131155e+00 -2.840131155e+00 2.44 -2.992634082e+00 -2.992634082e+00 2.46 -3.127419782e+00 -3.127419782e+00 2.48 -3.245723612e+00 -3.245723612e+00 2.50 -3.348743645e+00 -3.348743645e+00 2.52 -3.437645403e+00 -3.437645403e+00 2.54 -3.513564682e+00 -3.513564682e+00 2.56 -3.577610890e+00 -3.577610890e+00 2.58 -3.630870575e+00 -3.630870575e+00 2.60 -3.674407225e+00 -3.674407225e+00 2.62 -3.709281125e+00 -3.709281125e+00 2.64 -3.736614161e+00 -3.736614161e+00 2.66 -3.757172523e+00 -3.757172523e+00 2.68 -3.771616013e+00 -3.771616013e+00 2.70 -3.780630970e+00 -3.780630970e+00 2.72 -3.785561463e+00 -3.785561463e+00 2.74 -3.786590504e+00 -3.786590504e+00 2.76 -3.783587493e+00 -3.783587493e+00 2.78 -3.776469995e+00 -3.776469995e+00 2.80 -3.765185917e+00 -3.765185917e+00 2.82 -3.749706785e+00 -3.749706785e+00 2.84 -3.730033116e+00 -3.730033116e+00 2.86 -3.706192777e+00 -3.706192777e+00 2.88 -3.678257595e+00 -3.678257595e+00 2.90 -3.646351552e+00 -3.646351552e+00 2.92 -3.610623062e+00 -3.610623062e+00 2.94 -3.571247417e+00 -3.571247417e+00 2.96 -3.528432801e+00 -3.528432801e+00 2.98 -3.482426003e+00 -3.482426003e+00 3.00 -3.433516580e+00 -3.433516580e+00 3.02 -3.382037631e+00 -3.382037631e+00 3.04 -3.328361229e+00 -3.328361229e+00 3.06 -3.272887292e+00 -3.272887292e+00 3.08 -3.216026103e+00 -3.216026103e+00 3.10 -3.158176878e+00 -3.158176878e+00 3.12 -3.099706123e+00 -3.099706123e+00 3.14 -3.040929999e+00 -3.040929999e+00 3.16 -2.982103674e+00 -2.982103674e+00 3.18 -2.923418825e+00 -2.923418825e+00 3.20 -2.865008213e+00 -2.865008213e+00 3.22 -2.806955110e+00 -2.806955110e+00 3.24 -2.749304969e+00 -2.749304969e+00 3.26 -2.692077172e+00 -2.692077172e+00 3.28 -2.635275468e+00 -2.635275468e+00 3.30 -2.578896409e+00 -2.578896409e+00 3.32 -2.522935663e+00 -2.522935663e+00 3.34 -2.467392359e+00 -2.467392359e+00 3.36 -2.412271740e+00 -2.412271740e+00 3.38 -2.357586435e+00 -2.357586435e+00 3.40 -2.303356622e+00 -2.303356622e+00 3.42 -2.249609365e+00 -2.249609365e+00 3.44 -2.196377331e+00 -2.196377331e+00 3.46 -2.143697150e+00 -2.143697150e+00 3.48 -2.091607594e+00 -2.091607594e+00 3.50 -2.040147766e+00 -2.040147766e+00 3.52 -1.989355428e+00 -1.989355428e+00 3.54 -1.939265586e+00 -1.939265586e+00 3.56 -1.889909375e+00 -1.889909375e+00 3.58 -1.841313299e+00 -1.841313299e+00 3.60 -1.793498811e+00 -1.793498811e+00 3.62 -1.746482231e+00 -1.746482231e+00 3.64 -1.700274976e+00 -1.700274976e+00 3.66 -1.654884065e+00 -1.654884065e+00 3.68 -1.610312861e+00 -1.610312861e+00 3.70 -1.566561996e+00 -1.566561996e+00 3.72 -1.523630401e+00 -1.523630401e+00 3.74 -1.481516336e+00 -1.481516336e+00 3.76 -1.440218319e+00 -1.440218319e+00 3.78 -1.399735795e+00 -1.399735795e+00 3.80 -1.360069427e+00 -1.360069427e+00 3.82 -1.321220917e+00 -1.321220917e+00 3.84 -1.283192326e+00 -1.283192326e+00 3.86 -1.245984952e+00 -1.245984952e+00 3.88 -1.209597936e+00 -1.209597936e+00 3.90 -1.174026810e+00 -1.174026810e+00 3.92 -1.139262227e+00 -1.139262227e+00 3.94 -1.105289103e+00 -1.105289103e+00 3.96 -1.072086247e+00 -1.072086247e+00 3.98 -1.039626573e+00 -1.039626573e+00 4.00 -1.007877782e+00 -1.007877782e+00 4.02 -9.768034183e-01 -9.768034183e-01 4.04 -9.463641631e-01 -9.463641631e-01 4.06 -9.165192656e-01 -9.165192656e-01 4.08 -8.872280205e-01 -8.872280205e-01 4.10 -8.584512537e-01 -8.584512537e-01 4.12 -8.301528659e-01 -8.301528659e-01 4.14 -8.023012619e-01 -8.023012619e-01 4.16 -7.748708808e-01 -7.748708808e-01 4.18 -7.478436042e-01 -7.478436042e-01 4.20 -7.212100353e-01 -7.212100353e-01 4.22 -6.949705187e-01 -6.949705187e-01 4.24 -6.691357569e-01 -6.691357569e-01 4.26 -6.437268773e-01 -6.437268773e-01 4.28 -6.187748289e-01 -6.187748289e-01 4.30 -5.943190484e-01 -5.943190484e-01 4.32 -5.704054192e-01 -5.704054192e-01 4.34 -5.470836444e-01 -5.470836444e-01 4.36 -5.244042391e-01 -5.244042391e-01 4.38 -5.024154056e-01 -5.024154056e-01 4.40 -4.811600650e-01 -4.811600650e-01 4.42 -4.606732864e-01 -4.606732864e-01 4.44 -4.409802919e-01 -4.409802919e-01 4.46 -4.220951313e-01 -4.220951313e-01 4.48 -4.040200480e-01 -4.040200480e-01 4.50 -3.867454932e-01 -3.867454932e-01 4.52 -3.702507075e-01 -3.702507075e-01 4.54 -3.545047640e-01 -3.545047640e-01 4.56 -3.394679599e-01 -3.394679599e-01 4.58 -3.250934393e-01 -3.250934393e-01 4.60 -3.113289403e-01 -3.113289403e-01 4.62 -2.981185694e-01 -2.981185694e-01 4.64 -2.854045253e-01 -2.854045253e-01 4.66 -2.731287185e-01 -2.731287185e-01 4.68 -2.612342545e-01 -2.612342545e-01 4.70 -2.496667711e-01 -2.496667711e-01 4.72 -2.383756382e-01 -2.383756382e-01 4.74 -2.273150354e-01 -2.273150354e-01 4.76 -2.164449272e-01 -2.164449272e-01 4.78 -2.057319467e-01 -2.057319467e-01 4.80 -1.951501803e-01 -1.951501803e-01 4.82 -1.846818756e-01 -1.846818756e-01 4.84 -1.743179313e-01 -1.743179313e-01 4.86 -1.640582553e-01 -1.640582553e-01 4.88 -1.539118169e-01 -1.539118169e-01 4.90 -1.438963695e-01 -1.438963695e-01 4.92 -1.340377791e-01 -1.340377791e-01 4.94 -1.243689273e-01 -1.243689273e-01 4.96 -1.149281954e-01 -1.149281954e-01 4.98 -1.057575809e-01 -1.057575809e-01 5.00 -9.690055120e-02 -9.690055120e-02 5.02 -8.839977345e-02 -8.839977345e-02 5.04 -8.029489627e-02 -8.029489627e-02 5.06 -7.262055049e-02 -7.262055049e-02 5.08 -6.540471907e-02 -6.540471907e-02 5.10 -5.866759532e-02 -5.866759532e-02 5.12 -5.242097490e-02 -5.242097490e-02 5.14 -4.666819487e-02 -4.666819487e-02 5.16 -4.140455911e-02 -4.140455911e-02 5.18 -3.661814662e-02 -3.661814662e-02 5.20 -3.229086956e-02 -3.229086956e-02 5.22 -2.839939197e-02 -2.839939197e-02 5.24 -2.491726576e-02 -2.491726576e-02 5.26 -2.181571486e-02 -2.181571486e-02 5.28 -1.906422563e-02 -1.906422563e-02 5.30 -1.663239291e-02 -1.663239291e-02 5.32 -1.449034345e-02 -1.449034345e-02 5.34 -1.260914780e-02 -1.260914780e-02 5.36 -1.096131743e-02 -1.096131743e-02 5.38 -9.521136950e-03 -9.521136950e-03 5.40 -8.264859317e-03 -8.264859317e-03 5.42 -7.170791980e-03 -7.170791980e-03 5.44 -6.219299670e-03 -6.219299670e-03 5.46 -5.392746458e-03 -5.392746458e-03 5.48 -4.675395972e-03 -4.675395972e-03 5.50 -4.053285003e-03 -4.053285003e-03 5.52 -3.514082378e-03 -3.514082378e-03 5.54 -3.046942017e-03 -3.046942017e-03 5.56 -2.642356612e-03 -2.642356612e-03 5.58 -2.292016428e-03 -2.292016428e-03 5.60 -1.988676101e-03 -1.988676101e-03 5.62 -1.726031185e-03 -1.726031185e-03 5.64 -1.498605268e-03 -1.498605268e-03 5.66 -1.301647891e-03 -1.301647891e-03 5.68 -1.131043035e-03 -1.131043035e-03 5.70 -9.832276793e-04 -9.832276793e-04 5.72 -8.551197494e-04 -8.551197494e-04 5.74 -7.440546907e-04 -7.440546907e-04 5.76 -6.477298559e-04 -6.477298559e-04 5.78 -5.641559148e-04 -5.641559148e-04 5.80 -4.916145168e-04 -4.916145168e-04 5.82 -4.286214909e-04 -4.286214909e-04 5.84 -3.738949179e-04 -3.738949179e-04 5.86 -3.263274767e-04 -3.263274767e-04 5.88 -2.849625223e-04 -2.849625223e-04 5.90 -2.489734151e-04 -2.489734151e-04 5.92 -2.176456733e-04 -2.176456733e-04 5.94 -1.903615737e-04 -1.903615737e-04 5.96 -1.665868721e-04 -1.665868721e-04 5.98 -1.458593548e-04 -1.458593548e-04 6.00 -1.277789713e-04 -1.277789713e-04