# 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 = CoPd2Zr # 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 3.125213480e+02 3.125213480e+02 1.30 2.901224133e+02 2.901224133e+02 1.32 2.693554230e+02 2.693554230e+02 1.34 2.500901434e+02 2.500901434e+02 1.36 2.322072334e+02 2.322072334e+02 1.38 2.155974402e+02 2.155974402e+02 1.40 2.001610418e+02 2.001610418e+02 1.42 1.858074935e+02 1.858074935e+02 1.44 1.724551995e+02 1.724551995e+02 1.46 1.600307065e+02 1.600307065e+02 1.48 1.484670392e+02 1.484670392e+02 1.50 1.377020242e+02 1.377020242e+02 1.52 1.276774634e+02 1.276774634e+02 1.54 1.183389061e+02 1.183389061e+02 1.56 1.096355747e+02 1.096355747e+02 1.58 1.015200521e+02 1.015200521e+02 1.60 9.394811757e+01 9.394811757e+01 1.62 8.687890072e+01 8.687890072e+01 1.64 8.027530289e+01 8.027530289e+01 1.66 7.410412577e+01 7.410412577e+01 1.68 6.833571493e+01 6.833571493e+01 1.70 6.294317537e+01 6.294317537e+01 1.72 5.790147898e+01 5.790147898e+01 1.74 5.318683749e+01 5.318683749e+01 1.76 4.877655997e+01 4.877655997e+01 1.78 4.464972050e+01 4.464972050e+01 1.80 4.078674328e+01 4.078674328e+01 1.82 3.717192037e+01 3.717192037e+01 1.84 3.381305433e+01 3.381305433e+01 1.86 3.069937835e+01 3.069937835e+01 1.88 2.781418407e+01 2.781418407e+01 1.90 2.514165775e+01 2.514165775e+01 1.92 2.266673474e+01 2.266673474e+01 1.94 2.037516434e+01 2.037516434e+01 1.96 1.825372232e+01 1.825372232e+01 1.98 1.629030478e+01 1.629030478e+01 2.00 1.447386650e+01 1.447386650e+01 2.02 1.279424876e+01 1.279424876e+01 2.04 1.124200638e+01 1.124200638e+01 2.06 9.808292857e+00 9.808292857e+00 2.08 8.484798152e+00 8.484798152e+00 2.10 7.263730415e+00 7.263730415e+00 2.12 6.137785301e+00 6.137785301e+00 2.14 5.100129377e+00 5.100129377e+00 2.16 4.144384057e+00 4.144384057e+00 2.18 3.264613538e+00 3.264613538e+00 2.20 2.455325444e+00 2.455325444e+00 2.22 1.711454353e+00 1.711454353e+00 2.24 1.028344027e+00 1.028344027e+00 2.26 4.017272881e-01 4.017272881e-01 2.28 -1.723039165e-01 -1.723039165e-01 2.30 -6.973111808e-01 -6.973111808e-01 2.32 -1.176556265e+00 -1.176556265e+00 2.34 -1.613043314e+00 -1.613043314e+00 2.36 -2.009572434e+00 -2.009572434e+00 2.38 -2.368789866e+00 -2.368789866e+00 2.40 -2.693230154e+00 -2.693230154e+00 2.42 -2.985351223e+00 -2.985351223e+00 2.44 -3.247548735e+00 -3.247548735e+00 2.46 -3.482163615e+00 -3.482163615e+00 2.48 -3.691468363e+00 -3.691468363e+00 2.50 -3.877695376e+00 -3.877695376e+00 2.52 -4.042883824e+00 -4.042883824e+00 2.54 -4.188825203e+00 -4.188825203e+00 2.56 -4.317147481e+00 -4.317147481e+00 2.58 -4.429304219e+00 -4.429304219e+00 2.60 -4.526580656e+00 -4.526580656e+00 2.62 -4.610110261e+00 -4.610110261e+00 2.64 -4.680892209e+00 -4.680892209e+00 2.66 -4.739690974e+00 -4.739690974e+00 2.68 -4.787148493e+00 -4.787148493e+00 2.70 -4.823905743e+00 -4.823905743e+00 2.72 -4.850596462e+00 -4.850596462e+00 2.74 -4.867785011e+00 -4.867785011e+00 2.76 -4.876033142e+00 -4.876033142e+00 2.78 -4.875898209e+00 -4.875898209e+00 2.80 -4.867937600e+00 -4.867937600e+00 2.82 -4.852694131e+00 -4.852694131e+00 2.84 -4.830705266e+00 -4.830705266e+00 2.86 -4.802676057e+00 -4.802676057e+00 2.88 -4.769602391e+00 -4.769602391e+00 2.90 -4.731725400e+00 -4.731725400e+00 2.92 -4.689271141e+00 -4.689271141e+00 2.94 -4.642513217e+00 -4.642513217e+00 2.96 -4.591758011e+00 -4.591758011e+00 2.98 -4.537329220e+00 -4.537329220e+00 3.00 -4.479553525e+00 -4.479553525e+00 3.02 -4.418748939e+00 -4.418748939e+00 3.04 -4.355226951e+00 -4.355226951e+00 3.06 -4.289336889e+00 -4.289336889e+00 3.08 -4.221399066e+00 -4.221399066e+00 3.10 -4.151696716e+00 -4.151696716e+00 3.12 -4.080476127e+00 -4.080476127e+00 3.14 -4.007962673e+00 -4.007962673e+00 3.16 -3.934350967e+00 -3.934350967e+00 3.18 -3.859822599e+00 -3.859822599e+00 3.20 -3.784548815e+00 -3.784548815e+00 3.22 -3.708695810e+00 -3.708695810e+00 3.24 -3.632429468e+00 -3.632429468e+00 3.26 -3.555919194e+00 -3.555919194e+00 3.28 -3.479340080e+00 -3.479340080e+00 3.30 -3.402872487e+00 -3.402872487e+00 3.32 -3.326698494e+00 -3.326698494e+00 3.34 -3.250995612e+00 -3.250995612e+00 3.36 -3.175929128e+00 -3.175929128e+00 3.38 -3.101645021e+00 -3.101645021e+00 3.40 -3.028264124e+00 -3.028264124e+00 3.42 -2.955884968e+00 -2.955884968e+00 3.44 -2.884577982e+00 -2.884577982e+00 3.46 -2.814393874e+00 -2.814393874e+00 3.48 -2.745366396e+00 -2.745366396e+00 3.50 -2.677516278e+00 -2.677516278e+00 3.52 -2.610854406e+00 -2.610854406e+00 3.54 -2.545384028e+00 -2.545384028e+00 3.56 -2.481102079e+00 -2.481102079e+00 3.58 -2.417999861e+00 -2.417999861e+00 3.60 -2.356063328e+00 -2.356063328e+00 3.62 -2.295273235e+00 -2.295273235e+00 3.64 -2.235605355e+00 -2.235605355e+00 3.66 -2.177030924e+00 -2.177030924e+00 3.68 -2.119517437e+00 -2.119517437e+00 3.70 -2.063029844e+00 -2.063029844e+00 3.72 -2.007532189e+00 -2.007532189e+00 3.74 -1.952989621e+00 -1.952989621e+00 3.76 -1.899370661e+00 -1.899370661e+00 3.78 -1.846649520e+00 -1.846649520e+00 3.80 -1.794808166e+00 -1.794808166e+00 3.82 -1.743837800e+00 -1.743837800e+00 3.84 -1.693739409e+00 -1.693739409e+00 3.86 -1.644523150e+00 -1.644523150e+00 3.88 -1.596206534e+00 -1.596206534e+00 3.90 -1.548811624e+00 -1.548811624e+00 3.92 -1.502360419e+00 -1.502360419e+00 3.94 -1.456877122e+00 -1.456877122e+00 3.96 -1.412377045e+00 -1.412377045e+00 3.98 -1.368871394e+00 -1.368871394e+00 4.00 -1.326365600e+00 -1.326365600e+00 4.02 -1.284860371e+00 -1.284860371e+00 4.04 -1.244353414e+00 -1.244353414e+00 4.06 -1.204841360e+00 -1.204841360e+00 4.08 -1.166321410e+00 -1.166321410e+00 4.10 -1.128788556e+00 -1.128788556e+00 4.12 -1.092252075e+00 -1.092252075e+00 4.14 -1.056709655e+00 -1.056709655e+00 4.16 -1.022164430e+00 -1.022164430e+00 4.18 -9.886189342e-01 -9.886189342e-01 4.20 -9.560737748e-01 -9.560737748e-01 4.22 -9.245264431e-01 -9.245264431e-01 4.24 -8.939704128e-01 -8.939704128e-01 4.26 -8.643945666e-01 -8.643945666e-01 4.28 -8.357829241e-01 -8.357829241e-01 4.30 -8.081145989e-01 -8.081145989e-01 4.32 -7.813639139e-01 -7.813639139e-01 4.34 -7.555006320e-01 -7.555006320e-01 4.36 -7.304902931e-01 -7.304902931e-01 4.38 -7.062946764e-01 -7.062946764e-01 4.40 -6.828724068e-01 -6.828724068e-01 4.42 -6.601797097e-01 -6.601797097e-01 4.44 -6.381712924e-01 -6.381712924e-01 4.46 -6.168013110e-01 -6.168013110e-01 4.48 -5.960243699e-01 -5.960243699e-01 4.50 -5.757965094e-01 -5.757965094e-01 4.52 -5.560761470e-01 -5.560761470e-01 4.54 -5.368249545e-01 -5.368249545e-01 4.56 -5.180086634e-01 -5.180086634e-01 4.58 -4.995977953e-01 -4.995977953e-01 4.60 -4.815683096e-01 -4.815683096e-01 4.62 -4.639021501e-01 -4.639021501e-01 4.64 -4.465876577e-01 -4.465876577e-01 4.66 -4.296198042e-01 -4.296198042e-01 4.68 -4.130001950e-01 -4.130001950e-01 4.70 -3.967367905e-01 -3.967367905e-01 4.72 -3.808433096e-01 -3.808433096e-01 4.74 -3.653383049e-01 -3.653383049e-01 4.76 -3.502439364e-01 -3.502439364e-01 4.78 -3.355845107e-01 -3.355845107e-01 4.80 -3.213817414e-01 -3.213817414e-01 4.82 -3.076662635e-01 -3.076662635e-01 4.84 -2.944555978e-01 -2.944555978e-01 4.86 -2.817673003e-01 -2.817673003e-01 4.88 -2.696142641e-01 -2.696142641e-01 4.90 -2.580041697e-01 -2.580041697e-01 4.92 -2.469392816e-01 -2.469392816e-01 4.94 -2.364165454e-01 -2.364165454e-01 4.96 -2.264279110e-01 -2.264279110e-01 4.98 -2.169608129e-01 -2.169608129e-01 5.00 -2.079987408e-01 -2.079987408e-01 5.02 -1.995218516e-01 -1.995218516e-01 5.04 -1.915074390e-01 -1.915074390e-01 5.06 -1.839308011e-01 -1.839308011e-01 5.08 -1.767660006e-01 -1.767660006e-01 5.10 -1.699861149e-01 -1.699861149e-01 5.12 -1.635638228e-01 -1.635638228e-01 5.14 -1.574719393e-01 -1.574719393e-01 5.16 -1.516838867e-01 -1.516838867e-01 5.18 -1.461740959e-01 -1.461740959e-01 5.20 -1.409183340e-01 -1.409183340e-01 5.22 -1.358939618e-01 -1.358939618e-01 5.24 -1.310801238e-01 -1.310801238e-01 5.26 -1.264578813e-01 -1.264578813e-01 5.28 -1.220102970e-01 -1.220102970e-01 5.30 -1.177224787e-01 -1.177224787e-01 5.32 -1.135815900e-01 -1.135815900e-01 5.34 -1.095768299e-01 -1.095768299e-01 5.36 -1.056993822e-01 -1.056993822e-01 5.38 -1.019423303e-01 -1.019423303e-01 5.40 -9.830053453e-02 -9.830053453e-02 5.42 -9.477046635e-02 -9.477046635e-02 5.44 -9.134999722e-02 -9.134999722e-02 5.46 -8.803814403e-02 -8.803814403e-02 5.48 -8.483477750e-02 -8.483477750e-02 5.50 -8.174030654e-02 -8.174030654e-02 5.52 -7.875535694e-02 -7.875535694e-02 5.54 -7.588046446e-02 -7.588046446e-02 5.56 -7.311580369e-02 -7.311580369e-02 5.58 -7.046097037e-02 -7.046097037e-02 5.60 -6.791476992e-02 -6.791476992e-02 5.62 -6.547519121e-02 -6.547519121e-02 5.64 -6.313954064e-02 -6.313954064e-02 5.66 -6.090432376e-02 -6.090432376e-02 5.68 -5.876533943e-02 -5.876533943e-02 5.70 -5.671780799e-02 -5.671780799e-02 5.72 -5.475651343e-02 -5.475651343e-02 5.74 -5.287594598e-02 -5.287594598e-02 5.76 -5.107043472e-02 -5.107043472e-02 5.78 -4.933426340e-02 -4.933426340e-02 5.80 -4.766176603e-02 -4.766176603e-02 5.82 -4.604740149e-02 -4.604740149e-02 5.84 -4.448580849e-02 -4.448580849e-02 5.86 -4.297184360e-02 -4.297184360e-02 5.88 -4.150060571e-02 -4.150060571e-02 5.90 -4.006745070e-02 -4.006745070e-02 5.92 -3.866799970e-02 -3.866799970e-02 5.94 -3.729814455e-02 -3.729814455e-02 5.96 -3.595405322e-02 -3.595405322e-02 5.98 -3.463217772e-02 -3.463217772e-02 6.00 -3.332926494e-02 -3.332926494e-02