# 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 = AgAuMo2 # 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 3.325745677e+02 3.325745677e+02 1.30 3.082318694e+02 3.082318694e+02 1.32 2.856897614e+02 2.856897614e+02 1.34 2.647987144e+02 2.647987144e+02 1.36 2.454260068e+02 2.454260068e+02 1.38 2.274537145e+02 2.274537145e+02 1.40 2.107758767e+02 2.107758767e+02 1.42 1.952954217e+02 1.952954217e+02 1.44 1.809219780e+02 1.809219780e+02 1.46 1.675710188e+02 1.675710188e+02 1.48 1.551639792e+02 1.551639792e+02 1.50 1.436287380e+02 1.436287380e+02 1.52 1.328999119e+02 1.328999119e+02 1.54 1.229185870e+02 1.229185870e+02 1.56 1.136314853e+02 1.136314853e+02 1.58 1.049898622e+02 1.049898622e+02 1.60 9.694845422e+01 9.694845422e+01 1.62 8.946464984e+01 8.946464984e+01 1.64 8.249795611e+01 8.249795611e+01 1.66 7.600980272e+01 7.600980272e+01 1.68 6.996369895e+01 6.996369895e+01 1.70 6.432567107e+01 6.432567107e+01 1.72 5.906479653e+01 5.906479653e+01 1.74 5.415360581e+01 5.415360581e+01 1.76 4.956817739e+01 4.956817739e+01 1.78 4.529080210e+01 4.529080210e+01 1.80 4.131749881e+01 4.131749881e+01 1.82 3.763686429e+01 3.763686429e+01 1.84 3.423175579e+01 3.423175579e+01 1.86 3.108481134e+01 3.108481134e+01 1.88 2.817904044e+01 2.817904044e+01 1.90 2.549789269e+01 2.549789269e+01 1.92 2.302539077e+01 2.302539077e+01 1.94 2.074624661e+01 2.074624661e+01 1.96 1.864593105e+01 1.864593105e+01 1.98 1.671070678e+01 1.671070678e+01 2.00 1.492764575e+01 1.492764575e+01 2.02 1.328463966e+01 1.328463966e+01 2.04 1.177039411e+01 1.177039411e+01 2.06 1.037439583e+01 1.037439583e+01 2.08 9.086860651e+00 9.086860651e+00 2.10 7.898688367e+00 7.898688367e+00 2.12 6.801448697e+00 6.801448697e+00 2.14 5.787401793e+00 5.787401793e+00 2.16 4.849534591e+00 4.849534591e+00 2.18 3.981584792e+00 3.981584792e+00 2.20 3.178030802e+00 3.178030802e+00 2.22 2.434041134e+00 2.434041134e+00 2.24 1.745391231e+00 1.745391231e+00 2.26 1.108363416e+00 1.108363416e+00 2.28 5.196461991e-01 5.196461991e-01 2.30 -2.375509107e-02 -2.375509107e-02 2.32 -5.245902084e-01 -5.245902084e-01 2.34 -9.854172475e-01 -9.854172475e-01 2.36 -1.408639250e+00 -1.408639250e+00 2.38 -1.796527411e+00 -1.796527411e+00 2.40 -2.151234354e+00 -2.151234354e+00 2.42 -2.474800630e+00 -2.474800630e+00 2.44 -2.769157212e+00 -2.769157212e+00 2.46 -3.036126347e+00 -3.036126347e+00 2.48 -3.277422657e+00 -3.277422657e+00 2.50 -3.494655870e+00 -3.494655870e+00 2.52 -3.689234295e+00 -3.689234295e+00 2.54 -3.862391370e+00 -3.862391370e+00 2.56 -4.015734801e+00 -4.015734801e+00 2.58 -4.150785516e+00 -4.150785516e+00 2.60 -4.268952914e+00 -4.268952914e+00 2.62 -4.371537397e+00 -4.371537397e+00 2.64 -4.459727399e+00 -4.459727399e+00 2.66 -4.534595930e+00 -4.534595930e+00 2.68 -4.596962996e+00 -4.596962996e+00 2.70 -4.647135685e+00 -4.647135685e+00 2.72 -4.685353392e+00 -4.685353392e+00 2.74 -4.711891223e+00 -4.711891223e+00 2.76 -4.727059912e+00 -4.727059912e+00 2.78 -4.731206489e+00 -4.731206489e+00 2.80 -4.724715250e+00 -4.724715250e+00 2.82 -4.708009483e+00 -4.708009483e+00 2.84 -4.681594524e+00 -4.681594524e+00 2.86 -4.646009233e+00 -4.646009233e+00 2.88 -4.601752835e+00 -4.601752835e+00 2.90 -4.549396843e+00 -4.549396843e+00 2.92 -4.489588679e+00 -4.489588679e+00 2.94 -4.423049297e+00 -4.423049297e+00 2.96 -4.350564315e+00 -4.350564315e+00 2.98 -4.272967438e+00 -4.272967438e+00 3.00 -4.191115848e+00 -4.191115848e+00 3.02 -4.105859264e+00 -4.105859264e+00 3.04 -4.018103299e+00 -4.018103299e+00 3.06 -3.928526536e+00 -3.928526536e+00 3.08 -3.837650287e+00 -3.837650287e+00 3.10 -3.745895500e+00 -3.745895500e+00 3.12 -3.653570378e+00 -3.653570378e+00 3.14 -3.560868429e+00 -3.560868429e+00 3.16 -3.467876066e+00 -3.467876066e+00 3.18 -3.374591532e+00 -3.374591532e+00 3.20 -3.280954826e+00 -3.280954826e+00 3.22 -3.186859777e+00 -3.186859777e+00 3.24 -3.092175596e+00 -3.092175596e+00 3.26 -2.996771089e+00 -2.996771089e+00 3.28 -2.900537344e+00 -2.900537344e+00 3.30 -2.803408250e+00 -2.803408250e+00 3.32 -2.705378262e+00 -2.705378262e+00 3.34 -2.606516712e+00 -2.606516712e+00 3.36 -2.506977788e+00 -2.506977788e+00 3.38 -2.407005187e+00 -2.407005187e+00 3.40 -2.306930537e+00 -2.306930537e+00 3.42 -2.207165021e+00 -2.207165021e+00 3.44 -2.108184260e+00 -2.108184260e+00 3.46 -2.010507279e+00 -2.010507279e+00 3.48 -1.914671235e+00 -1.914671235e+00 3.50 -1.821204211e+00 -1.821204211e+00 3.52 -1.730598734e+00 -1.730598734e+00 3.54 -1.643288562e+00 -1.643288562e+00 3.56 -1.559630801e+00 -1.559630801e+00 3.58 -1.479894593e+00 -1.479894593e+00 3.60 -1.404256712e+00 -1.404256712e+00 3.62 -1.332803542e+00 -1.332803542e+00 3.64 -1.265538295e+00 -1.265538295e+00 3.66 -1.202391939e+00 -1.202391939e+00 3.68 -1.143236268e+00 -1.143236268e+00 3.70 -1.087897652e+00 -1.087897652e+00 3.72 -1.036170324e+00 -1.036170324e+00 3.74 -9.878283921e-01 -9.878283921e-01 3.76 -9.426360808e-01 -9.426360808e-01 3.78 -9.003560340e-01 -9.003560340e-01 3.80 -8.607556785e-01 -8.607556785e-01 3.82 -8.236118196e-01 -8.236118196e-01 3.84 -7.887137123e-01 -7.887137123e-01 3.86 -7.558648793e-01 -7.558648793e-01 3.88 -7.248839501e-01 -7.248839501e-01 3.90 -6.956047693e-01 -6.956047693e-01 3.92 -6.678759890e-01 -6.678759890e-01 3.94 -6.415603250e-01 -6.415603250e-01 3.96 -6.165336095e-01 -6.165336095e-01 3.98 -5.926837607e-01 -5.926837607e-01 4.00 -5.699097413e-01 -5.699097413e-01 4.02 -5.481205675e-01 -5.481205675e-01 4.04 -5.272344100e-01 -5.272344100e-01 4.06 -5.071778135e-01 -5.071778135e-01 4.08 -4.878850517e-01 -4.878850517e-01 4.10 -4.692976184e-01 -4.692976184e-01 4.12 -4.513638681e-01 -4.513638681e-01 4.14 -4.340387503e-01 -4.340387503e-01 4.16 -4.172836624e-01 -4.172836624e-01 4.18 -4.010663420e-01 -4.010663420e-01 4.20 -3.853607590e-01 -3.853607590e-01 4.22 -3.701469453e-01 -3.701469453e-01 4.24 -3.554106929e-01 -3.554106929e-01 4.26 -3.411430601e-01 -3.411430601e-01 4.28 -3.273396431e-01 -3.273396431e-01 4.30 -3.139995983e-01 -3.139995983e-01 4.32 -3.011244424e-01 -3.011244424e-01 4.34 -2.887166997e-01 -2.887166997e-01 4.36 -2.767785012e-01 -2.767785012e-01 4.38 -2.653102632e-01 -2.653102632e-01 4.40 -2.543095679e-01 -2.543095679e-01 4.42 -2.437703515e-01 -2.437703515e-01 4.44 -2.336824570e-01 -2.336824570e-01 4.46 -2.240315551e-01 -2.240315551e-01 4.48 -2.147990988e-01 -2.147990988e-01 4.50 -2.059633225e-01 -2.059633225e-01 4.52 -1.975002484e-01 -1.975002484e-01 4.54 -1.893837986e-01 -1.893837986e-01 4.56 -1.815865964e-01 -1.815865964e-01 4.58 -1.740807216e-01 -1.740807216e-01 4.60 -1.668383621e-01 -1.668383621e-01 4.62 -1.598323526e-01 -1.598323526e-01 4.64 -1.530366085e-01 -1.530366085e-01 4.66 -1.464264739e-01 -1.464264739e-01 4.68 -1.399790076e-01 -1.399790076e-01 4.70 -1.336732314e-01 -1.336732314e-01 4.72 -1.274903632e-01 -1.274903632e-01 4.74 -1.214140506e-01 -1.214140506e-01 4.76 -1.154306147e-01 -1.154306147e-01 4.78 -1.095293055e-01 -1.095293055e-01 4.80 -1.037025596e-01 -1.037025596e-01 4.82 -9.794625069e-02 -9.794625069e-02 4.84 -9.225988977e-02 -9.225988977e-02 4.86 -8.664676591e-02 -8.664676591e-02 4.88 -8.111397369e-02 -8.111397369e-02 4.90 -7.567229786e-02 -7.567229786e-02 4.92 -7.033592369e-02 -7.033592369e-02 4.94 -6.512195423e-02 -6.512195423e-02 4.96 -6.004973336e-02 -6.004973336e-02 4.98 -5.513999539e-02 -5.513999539e-02 5.00 -5.041388440e-02 -5.041388440e-02 5.02 -4.589190671e-02 -4.589190671e-02 5.04 -4.159290396e-02 -4.159290396e-02 5.06 -3.753310655e-02 -3.753310655e-02 5.08 -3.372535950e-02 -3.372535950e-02 5.10 -3.017857403e-02 -3.017857403e-02 5.12 -2.689742426e-02 -2.689742426e-02 5.14 -2.388232912e-02 -2.388232912e-02 5.16 -2.112966236e-02 -2.112966236e-02 5.18 -1.863215576e-02 -1.863215576e-02 5.20 -1.637935356e-02 -1.637935356e-02 5.22 -1.435804554e-02 -1.435804554e-02 5.24 -1.255384226e-02 -1.255384226e-02 5.26 -1.095113284e-02 -1.095113284e-02 5.28 -9.533595031e-03 -9.533595031e-03 5.30 -8.284733515e-03 -8.284733515e-03 5.32 -7.188317583e-03 -7.188317583e-03 5.34 -6.228718135e-03 -6.228718135e-03 5.36 -5.391150921e-03 -5.391150921e-03 5.38 -4.661837318e-03 -4.661837318e-03 5.40 -4.028095928e-03 -4.028095928e-03 5.42 -3.478378728e-03 -3.478378728e-03 5.44 -3.002264686e-03 -3.002264686e-03 5.46 -2.590422351e-03 -2.590422351e-03 5.48 -2.234551138e-03 -2.234551138e-03 5.50 -1.927309233e-03 -1.927309233e-03 5.52 -1.662234322e-03 -1.662234322e-03 5.54 -1.433661794e-03 -1.433661794e-03 5.56 -1.236643844e-03 -1.236643844e-03 5.58 -1.066871769e-03 -1.066871769e-03 5.60 -9.206029996e-04 -9.206029996e-04 5.62 -7.945937185e-04 -7.945937185e-04 5.64 -6.860374797e-04 -6.860374797e-04 5.66 -5.925098961e-04 -5.925098961e-04 5.68 -5.119192313e-04 -5.119192313e-04 5.70 -4.424625864e-04 -4.424625864e-04 5.72 -3.825872790e-04 -3.825872790e-04 5.74 -3.309569708e-04 -3.309569708e-04 5.76 -2.864220802e-04 -2.864220802e-04 5.78 -2.479940313e-04 -2.479940313e-04 5.80 -2.148229032e-04 -2.148229032e-04 5.82 -1.861780812e-04 -1.861780812e-04 5.84 -1.614315370e-04 -1.614315370e-04 5.86 -1.400434071e-04 -1.400434071e-04 5.88 -1.215495699e-04 -1.215495699e-04 5.90 -1.055509558e-04 -1.055509558e-04 5.92 -9.170435785e-05 -9.170435785e-05 5.94 -7.971453678e-05 -7.971453678e-05 5.96 -6.932744293e-05 -6.932744293e-05 5.98 -6.032439858e-05 -6.032439858e-05 6.00 -5.251710642e-05 -5.251710642e-05