# 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 = AlMgTa2 # 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 3.447665067e+02 3.447665067e+02 1.30 3.203794994e+02 3.203794994e+02 1.32 2.977687310e+02 2.977687310e+02 1.34 2.767899985e+02 2.767899985e+02 1.36 2.573131297e+02 2.573131297e+02 1.38 2.392214058e+02 2.392214058e+02 1.40 2.224096913e+02 2.224096913e+02 1.42 2.067821386e+02 2.067821386e+02 1.44 1.922501256e+02 1.922501256e+02 1.46 1.787309269e+02 1.787309269e+02 1.48 1.661472980e+02 1.661472980e+02 1.50 1.544275305e+02 1.544275305e+02 1.52 1.435053961e+02 1.435053961e+02 1.54 1.333199234e+02 1.333199234e+02 1.56 1.238152961e+02 1.238152961e+02 1.58 1.149409159e+02 1.149409159e+02 1.60 1.066513673e+02 1.066513673e+02 1.62 9.890604926e+01 9.890604926e+01 1.64 9.166850094e+01 9.166850094e+01 1.66 8.490562016e+01 8.490562016e+01 1.68 7.858698158e+01 7.858698158e+01 1.70 7.268433879e+01 7.268433879e+01 1.72 6.717128017e+01 6.717128017e+01 1.74 6.202297955e+01 6.202297955e+01 1.76 5.721601687e+01 5.721601687e+01 1.78 5.272827738e+01 5.272827738e+01 1.80 4.854174891e+01 4.854174891e+01 1.82 4.464346260e+01 4.464346260e+01 1.84 4.101477800e+01 4.101477800e+01 1.86 3.763799672e+01 3.763799672e+01 1.88 3.449652291e+01 3.449652291e+01 1.90 3.157487310e+01 3.157487310e+01 1.92 2.885950313e+01 2.885950313e+01 1.94 2.633632838e+01 2.633632838e+01 1.96 2.399163662e+01 2.399163662e+01 1.98 2.181241512e+01 2.181241512e+01 2.00 1.978643514e+01 1.978643514e+01 2.02 1.790232165e+01 1.790232165e+01 2.04 1.614960193e+01 1.614960193e+01 2.06 1.451873395e+01 1.451873395e+01 2.08 1.300110534e+01 1.300110534e+01 2.10 1.158899136e+01 1.158899136e+01 2.12 1.027547138e+01 1.027547138e+01 2.14 9.054317615e+00 9.054317615e+00 2.16 7.919876944e+00 7.919876944e+00 2.18 6.866960908e+00 6.866960908e+00 2.20 5.890752910e+00 5.890752910e+00 2.22 4.986729753e+00 4.986729753e+00 2.24 4.150595572e+00 4.150595572e+00 2.26 3.378224470e+00 3.378224470e+00 2.28 2.665611956e+00 2.665611956e+00 2.30 2.008840289e+00 2.008840289e+00 2.32 1.404061652e+00 1.404061652e+00 2.34 8.475081842e-01 8.475081842e-01 2.36 3.355256181e-01 3.355256181e-01 2.38 -1.353736489e-01 -1.353736489e-01 2.40 -5.684529700e-01 -5.684529700e-01 2.42 -9.667054336e-01 -9.667054336e-01 2.44 -1.332830141e+00 -1.332830141e+00 2.46 -1.669236034e+00 -1.669236034e+00 2.48 -1.978020906e+00 -1.978020906e+00 2.50 -2.260917766e+00 -2.260917766e+00 2.52 -2.519868210e+00 -2.519868210e+00 2.54 -2.756680715e+00 -2.756680715e+00 2.56 -2.973013815e+00 -2.973013815e+00 2.58 -3.170416042e+00 -3.170416042e+00 2.60 -3.350349694e+00 -3.350349694e+00 2.62 -3.514195862e+00 -3.514195862e+00 2.64 -3.663175791e+00 -3.663175791e+00 2.66 -3.798064807e+00 -3.798064807e+00 2.68 -3.919510214e+00 -3.919510214e+00 2.70 -4.028144820e+00 -4.028144820e+00 2.72 -4.124563959e+00 -4.124563959e+00 2.74 -4.209316165e+00 -4.209316165e+00 2.76 -4.282903540e+00 -4.282903540e+00 2.78 -4.345787229e+00 -4.345787229e+00 2.80 -4.398395308e+00 -4.398395308e+00 2.82 -4.441129359e+00 -4.441129359e+00 2.84 -4.474371677e+00 -4.474371677e+00 2.86 -4.498490893e+00 -4.498490893e+00 2.88 -4.513846939e+00 -4.513846939e+00 2.90 -4.520795211e+00 -4.520795211e+00 2.92 -4.519689859e+00 -4.519689859e+00 2.94 -4.510886134e+00 -4.510886134e+00 2.96 -4.494741724e+00 -4.494741724e+00 2.98 -4.471617046e+00 -4.471617046e+00 3.00 -4.442112717e+00 -4.442112717e+00 3.02 -4.407077383e+00 -4.407077383e+00 3.04 -4.366647601e+00 -4.366647601e+00 3.06 -4.320952612e+00 -4.320952612e+00 3.08 -4.270145901e+00 -4.270145901e+00 3.10 -4.214402264e+00 -4.214402264e+00 3.12 -4.153916247e+00 -4.153916247e+00 3.14 -4.088904623e+00 -4.088904623e+00 3.16 -4.019609543e+00 -4.019609543e+00 3.18 -3.946313256e+00 -3.946313256e+00 3.20 -3.869347921e+00 -3.869347921e+00 3.22 -3.789093220e+00 -3.789093220e+00 3.24 -3.705982485e+00 -3.705982485e+00 3.26 -3.620504914e+00 -3.620504914e+00 3.28 -3.533201224e+00 -3.533201224e+00 3.30 -3.444651843e+00 -3.444651843e+00 3.32 -3.355457972e+00 -3.355457972e+00 3.34 -3.266217183e+00 -3.266217183e+00 3.36 -3.177496362e+00 -3.177496362e+00 3.38 -3.089805397e+00 -3.089805397e+00 3.40 -3.003574853e+00 -3.003574853e+00 3.42 -2.919140344e+00 -2.919140344e+00 3.44 -2.836734411e+00 -2.836734411e+00 3.46 -2.756486683e+00 -2.756486683e+00 3.48 -2.678430740e+00 -2.678430740e+00 3.50 -2.602516260e+00 -2.602516260e+00 3.52 -2.528624479e+00 -2.528624479e+00 3.54 -2.456585170e+00 -2.456585170e+00 3.56 -2.386193687e+00 -2.386193687e+00 3.58 -2.317227057e+00 -2.317227057e+00 3.60 -2.249458535e+00 -2.249458535e+00 3.62 -2.182671279e+00 -2.182671279e+00 3.64 -2.116694479e+00 -2.116694479e+00 3.66 -2.051339786e+00 -2.051339786e+00 3.68 -1.986434906e+00 -1.986434906e+00 3.70 -1.921854559e+00 -1.921854559e+00 3.72 -1.857525727e+00 -1.857525727e+00 3.74 -1.793425791e+00 -1.793425791e+00 3.76 -1.729498594e+00 -1.729498594e+00 3.78 -1.665679933e+00 -1.665679933e+00 3.80 -1.601981578e+00 -1.601981578e+00 3.82 -1.538491831e+00 -1.538491831e+00 3.84 -1.475369190e+00 -1.475369190e+00 3.86 -1.412831516e+00 -1.412831516e+00 3.88 -1.351141089e+00 -1.351141089e+00 3.90 -1.290586637e+00 -1.290586637e+00 3.92 -1.231463781e+00 -1.231463781e+00 3.94 -1.174056352e+00 -1.174056352e+00 3.96 -1.118618754e+00 -1.118618754e+00 3.98 -1.065363009e+00 -1.065363009e+00 4.00 -1.014449651e+00 -1.014449651e+00 4.02 -9.659834414e-01 -9.659834414e-01 4.04 -9.200134808e-01 -9.200134808e-01 4.06 -8.765369990e-01 -8.765369990e-01 4.08 -8.355058703e-01 -8.355058703e-01 4.10 -7.968344666e-01 -7.968344666e-01 4.12 -7.604102857e-01 -7.604102857e-01 4.14 -7.261004747e-01 -7.261004747e-01 4.16 -6.937621291e-01 -6.937621291e-01 4.18 -6.632493819e-01 -6.632493819e-01 4.20 -6.344197803e-01 -6.344197803e-01 4.22 -6.071393303e-01 -6.071393303e-01 4.24 -5.812861465e-01 -5.812861465e-01 4.26 -5.567526952e-01 -5.567526952e-01 4.28 -5.334466738e-01 -5.334466738e-01 4.30 -5.112906246e-01 -5.112906246e-01 4.32 -4.902204560e-01 -4.902204560e-01 4.34 -4.701831147e-01 -4.701831147e-01 4.36 -4.511337229e-01 -4.511337229e-01 4.38 -4.330325299e-01 -4.330325299e-01 4.40 -4.158420206e-01 -4.158420206e-01 4.42 -3.995244709e-01 -3.995244709e-01 4.44 -3.840401456e-01 -3.840401456e-01 4.46 -3.693462191e-01 -3.693462191e-01 4.48 -3.553963934e-01 -3.553963934e-01 4.50 -3.421411032e-01 -3.421411032e-01 4.52 -3.295281420e-01 -3.295281420e-01 4.54 -3.175035420e-01 -3.175035420e-01 4.56 -3.060125569e-01 -3.060125569e-01 4.58 -2.950006097e-01 -2.950006097e-01 4.60 -2.844141417e-01 -2.844141417e-01 4.62 -2.742013570e-01 -2.742013570e-01 4.64 -2.643127778e-01 -2.643127778e-01 4.66 -2.547007875e-01 -2.547007875e-01 4.68 -2.453223532e-01 -2.453223532e-01 4.70 -2.361382694e-01 -2.361382694e-01 4.72 -2.271127909e-01 -2.271127909e-01 4.74 -2.182141624e-01 -2.182141624e-01 4.76 -2.094151039e-01 -2.094151039e-01 4.78 -2.006932852e-01 -2.006932852e-01 4.80 -1.920315871e-01 -1.920315871e-01 4.82 -1.834194406e-01 -1.834194406e-01 4.84 -1.748518364e-01 -1.748518364e-01 4.86 -1.663305902e-01 -1.663305902e-01 4.88 -1.578641806e-01 -1.578641806e-01 4.90 -1.494677021e-01 -1.494677021e-01 4.92 -1.411624367e-01 -1.411624367e-01 4.94 -1.329751114e-01 -1.329751114e-01 4.96 -1.249368332e-01 -1.249368332e-01 4.98 -1.170817222e-01 -1.170817222e-01 5.00 -1.094453133e-01 -1.094453133e-01 5.02 -1.020628344e-01 -1.020628344e-01 5.04 -9.496748977e-02 -9.496748977e-02 5.06 -8.818888510e-02 -8.818888510e-02 5.08 -8.175171614e-02 -8.175171614e-02 5.10 -7.567481374e-02 -7.567481374e-02 5.12 -6.997059661e-02 -6.997059661e-02 5.14 -6.464493771e-02 -6.464493771e-02 5.16 -5.969740900e-02 -5.969740900e-02 5.18 -5.512183787e-02 -5.512183787e-02 5.20 -5.090709023e-02 -5.090709023e-02 5.22 -4.703798149e-02 -4.703798149e-02 5.24 -4.349624801e-02 -4.349624801e-02 5.26 -4.026149339e-02 -4.026149339e-02 5.28 -3.731205921e-02 -3.731205921e-02 5.30 -3.462578627e-02 -3.462578627e-02 5.32 -3.218065182e-02 -3.218065182e-02 5.34 -2.995526637e-02 -2.995526637e-02 5.36 -2.792924697e-02 -2.792924697e-02 5.38 -2.608347564e-02 -2.608347564e-02 5.40 -2.440025689e-02 -2.440025689e-02 5.42 -2.286339119e-02 -2.286339119e-02 5.44 -2.145818095e-02 -2.145818095e-02 5.46 -2.017138487e-02 -2.017138487e-02 5.48 -1.899113479e-02 -1.899113479e-02 5.50 -1.790676035e-02 -1.790676035e-02 5.52 -1.690877937e-02 -1.690877937e-02 5.54 -1.598879261e-02 -1.598879261e-02 5.56 -1.513928812e-02 -1.513928812e-02 5.58 -1.435353177e-02 -1.435353177e-02 5.60 -1.362546882e-02 -1.362546882e-02 5.62 -1.294963842e-02 -1.294963842e-02 5.64 -1.232110117e-02 -1.232110117e-02 5.66 -1.173537885e-02 -1.173537885e-02 5.68 -1.118840475e-02 -1.118840475e-02 5.70 -1.067648254e-02 -1.067648254e-02 5.72 -1.019625160e-02 -1.019625160e-02 5.74 -9.744657287e-03 -9.744657287e-03 5.76 -9.318924584e-03 -9.318924584e-03 5.78 -8.916534192e-03 -8.916534192e-03 5.80 -8.535200446e-03 -8.535200446e-03 5.82 -8.172850704e-03 -8.172850704e-03 5.84 -7.827606096e-03 -7.827606096e-03 5.86 -7.497763643e-03 -7.497763643e-03 5.88 -7.181779863e-03 -7.181779863e-03 5.90 -6.878255977e-03 -6.878255977e-03 5.92 -6.585924873e-03 -6.585924873e-03 5.94 -6.303639916e-03 -6.303639916e-03 5.96 -6.030365717e-03 -6.030365717e-03 5.98 -5.765170874e-03 -5.765170874e-03 6.00 -5.507222703e-03 -5.507222703e-03