# 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 = AgPdZr2 # 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 3.874453283e+02 3.874453283e+02 1.30 3.607260136e+02 3.607260136e+02 1.32 3.359185410e+02 3.359185410e+02 1.34 3.128729716e+02 3.128729716e+02 1.36 2.914510333e+02 2.914510333e+02 1.38 2.715256955e+02 2.715256955e+02 1.40 2.529808794e+02 2.529808794e+02 1.42 2.357111410e+02 2.357111410e+02 1.44 2.196211891e+02 2.196211891e+02 1.46 2.046247233e+02 2.046247233e+02 1.48 1.906428517e+02 1.906428517e+02 1.50 1.776029305e+02 1.776029305e+02 1.52 1.654380326e+02 1.654380326e+02 1.54 1.540863784e+02 1.540863784e+02 1.56 1.434906688e+02 1.434906688e+02 1.58 1.335973982e+02 1.335973982e+02 1.60 1.243565120e+02 1.243565120e+02 1.62 1.157213404e+02 1.157213404e+02 1.64 1.076487609e+02 1.076487609e+02 1.66 1.000992099e+02 1.000992099e+02 1.68 9.303651516e+01 9.303651516e+01 1.70 8.642756517e+01 8.642756517e+01 1.72 8.024181628e+01 8.024181628e+01 1.74 7.445082574e+01 7.445082574e+01 1.76 6.902796047e+01 6.902796047e+01 1.78 6.394832458e+01 6.394832458e+01 1.80 5.918877537e+01 5.918877537e+01 1.82 5.472787014e+01 5.472787014e+01 1.84 5.054577643e+01 5.054577643e+01 1.86 4.662421382e+01 4.662421382e+01 1.88 4.294635484e+01 4.294635484e+01 1.90 3.949704307e+01 3.949704307e+01 1.92 3.626284297e+01 3.626284297e+01 1.94 3.323054413e+01 3.323054413e+01 1.96 3.038985241e+01 3.038985241e+01 1.98 2.773992431e+01 2.773992431e+01 2.00 2.527051448e+01 2.527051448e+01 2.02 2.297024015e+01 2.297024015e+01 2.04 2.082835397e+01 2.082835397e+01 2.06 1.883467038e+01 1.883467038e+01 2.08 1.697951965e+01 1.697951965e+01 2.10 1.525374446e+01 1.525374446e+01 2.12 1.364868206e+01 1.364868206e+01 2.14 1.215616653e+01 1.215616653e+01 2.16 1.076853154e+01 1.076853154e+01 2.18 9.478603774e+00 9.478603774e+00 2.20 8.279708363e+00 8.279708363e+00 2.22 7.165642877e+00 7.165642877e+00 2.24 6.130659922e+00 6.130659922e+00 2.26 5.169456794e+00 5.169456794e+00 2.28 4.277155383e+00 4.277155383e+00 2.30 3.449313007e+00 3.449313007e+00 2.32 2.681870469e+00 2.681870469e+00 2.34 1.971111034e+00 1.971111034e+00 2.36 1.313590254e+00 1.313590254e+00 2.38 7.060734990e-01 7.060734990e-01 2.40 1.454836208e-01 1.454836208e-01 2.42 -3.711437118e-01 -3.711437118e-01 2.44 -8.466746476e-01 -8.466746476e-01 2.46 -1.283889942e+00 -1.283889942e+00 2.48 -1.685473172e+00 -1.685473172e+00 2.50 -2.053988677e+00 -2.053988677e+00 2.52 -2.391855095e+00 -2.391855095e+00 2.54 -2.701322471e+00 -2.701322471e+00 2.56 -2.984458421e+00 -2.984458421e+00 2.58 -3.243145869e+00 -3.243145869e+00 2.60 -3.479092108e+00 -3.479092108e+00 2.62 -3.693844129e+00 -3.693844129e+00 2.64 -3.888819315e+00 -3.888819315e+00 2.66 -4.065311119e+00 -4.065311119e+00 2.68 -4.224523396e+00 -4.224523396e+00 2.70 -4.367687773e+00 -4.367687773e+00 2.72 -4.495783503e+00 -4.495783503e+00 2.74 -4.609674494e+00 -4.609674494e+00 2.76 -4.710196601e+00 -4.710196601e+00 2.78 -4.798151414e+00 -4.798151414e+00 2.80 -4.874314379e+00 -4.874314379e+00 2.82 -4.939414228e+00 -4.939414228e+00 2.84 -4.994147136e+00 -4.994147136e+00 2.86 -5.039124957e+00 -5.039124957e+00 2.88 -5.074725970e+00 -5.074725970e+00 2.90 -5.101305327e+00 -5.101305327e+00 2.92 -5.119256303e+00 -5.119256303e+00 2.94 -5.129001041e+00 -5.129001041e+00 2.96 -5.130980741e+00 -5.130980741e+00 2.98 -5.125645961e+00 -5.125645961e+00 3.00 -5.113447876e+00 -5.113447876e+00 3.02 -5.094831323e+00 -5.094831323e+00 3.04 -5.070225882e+00 -5.070225882e+00 3.06 -5.040061257e+00 -5.040061257e+00 3.08 -5.004738355e+00 -5.004738355e+00 3.10 -4.964822709e+00 -4.964822709e+00 3.12 -4.920778604e+00 -4.920778604e+00 3.14 -4.872879153e+00 -4.872879153e+00 3.16 -4.821395454e+00 -4.821395454e+00 3.18 -4.766609986e+00 -4.766609986e+00 3.20 -4.708809397e+00 -4.708809397e+00 3.22 -4.648282160e+00 -4.648282160e+00 3.24 -4.585317369e+00 -4.585317369e+00 3.26 -4.520204752e+00 -4.520204752e+00 3.28 -4.453235934e+00 -4.453235934e+00 3.30 -4.384719863e+00 -4.384719863e+00 3.32 -4.314975829e+00 -4.314975829e+00 3.34 -4.244342046e+00 -4.244342046e+00 3.36 -4.173143013e+00 -4.173143013e+00 3.38 -4.101561319e+00 -4.101561319e+00 3.40 -4.029750907e+00 -4.029750907e+00 3.42 -3.957846563e+00 -3.957846563e+00 3.44 -3.885953206e+00 -3.885953206e+00 3.46 -3.814157350e+00 -3.814157350e+00 3.48 -3.742529314e+00 -3.742529314e+00 3.50 -3.671127493e+00 -3.671127493e+00 3.52 -3.600001722e+00 -3.600001722e+00 3.54 -3.529196496e+00 -3.529196496e+00 3.56 -3.458754356e+00 -3.458754356e+00 3.58 -3.388712510e+00 -3.388712510e+00 3.60 -3.319101909e+00 -3.319101909e+00 3.62 -3.249946960e+00 -3.249946960e+00 3.64 -3.181265363e+00 -3.181265363e+00 3.66 -3.113068293e+00 -3.113068293e+00 3.68 -3.045361133e+00 -3.045361133e+00 3.70 -2.978144897e+00 -2.978144897e+00 3.72 -2.911418401e+00 -2.911418401e+00 3.74 -2.845181163e+00 -2.845181163e+00 3.76 -2.779436869e+00 -2.779436869e+00 3.78 -2.714197076e+00 -2.714197076e+00 3.80 -2.649484664e+00 -2.649484664e+00 3.82 -2.585336414e+00 -2.585336414e+00 3.84 -2.521804075e+00 -2.521804075e+00 3.86 -2.458953393e+00 -2.458953393e+00 3.88 -2.396860956e+00 -2.396860956e+00 3.90 -2.335609122e+00 -2.335609122e+00 3.92 -2.275276391e+00 -2.275276391e+00 3.94 -2.215945559e+00 -2.215945559e+00 3.96 -2.157675820e+00 -2.157675820e+00 3.98 -2.100515578e+00 -2.100515578e+00 4.00 -2.044497178e+00 -2.044497178e+00 4.02 -1.989637985e+00 -1.989637985e+00 4.04 -1.935942934e+00 -1.935942934e+00 4.06 -1.883407846e+00 -1.883407846e+00 4.08 -1.832022774e+00 -1.832022774e+00 4.10 -1.781767922e+00 -1.781767922e+00 4.12 -1.732645009e+00 -1.732645009e+00 4.14 -1.684632477e+00 -1.684632477e+00 4.16 -1.637718474e+00 -1.637718474e+00 4.18 -1.591892205e+00 -1.591892205e+00 4.20 -1.547143539e+00 -1.547143539e+00 4.22 -1.503462453e+00 -1.503462453e+00 4.24 -1.460838470e+00 -1.460838470e+00 4.26 -1.419260188e+00 -1.419260188e+00 4.28 -1.378714950e+00 -1.378714950e+00 4.30 -1.339188618e+00 -1.339188618e+00 4.32 -1.300665446e+00 -1.300665446e+00 4.34 -1.263127987e+00 -1.263127987e+00 4.36 -1.226557034e+00 -1.226557034e+00 4.38 -1.190931565e+00 -1.190931565e+00 4.40 -1.156228726e+00 -1.156228726e+00 4.42 -1.122423860e+00 -1.122423860e+00 4.44 -1.089490630e+00 -1.089490630e+00 4.46 -1.057401230e+00 -1.057401230e+00 4.48 -1.026126711e+00 -1.026126711e+00 4.50 -9.956374137e-01 -9.956374137e-01 4.52 -9.659034778e-01 -9.659034778e-01 4.54 -9.368954194e-01 -9.368954194e-01 4.56 -9.085847414e-01 -9.085847414e-01 4.58 -8.809445495e-01 -8.809445495e-01 4.60 -8.539501456e-01 -8.539501456e-01 4.62 -8.275795686e-01 -8.275795686e-01 4.64 -8.018140504e-01 -8.018140504e-01 4.66 -7.766383539e-01 -7.766383539e-01 4.68 -7.520409609e-01 -7.520409609e-01 4.70 -7.280140792e-01 -7.280140792e-01 4.72 -7.045534511e-01 -7.045534511e-01 4.74 -6.816579585e-01 -6.816579585e-01 4.76 -6.593290411e-01 -6.593290411e-01 4.78 -6.375699664e-01 -6.375699664e-01 4.80 -6.163788875e-01 -6.163788875e-01 4.82 -5.957735378e-01 -5.957735378e-01 4.84 -5.757504307e-01 -5.757504307e-01 4.86 -5.563121954e-01 -5.563121954e-01 4.88 -5.374597216e-01 -5.374597216e-01 4.90 -5.191918659e-01 -5.191918659e-01 4.92 -5.015053340e-01 -5.015053340e-01 4.94 -4.843947043e-01 -4.843947043e-01 4.96 -4.678525449e-01 -4.678525449e-01 4.98 -4.518695725e-01 -4.518695725e-01 5.00 -4.364348091e-01 -4.364348091e-01 5.02 -4.215357111e-01 -4.215357111e-01 5.04 -4.071582580e-01 -4.071582580e-01 5.06 -3.932870103e-01 -3.932870103e-01 5.08 -3.799051552e-01 -3.799051552e-01 5.10 -3.669945651e-01 -3.669945651e-01 5.12 -3.545358943e-01 -3.545358943e-01 5.14 -3.425087320e-01 -3.425087320e-01 5.16 -3.308918217e-01 -3.308918217e-01 5.18 -3.196633480e-01 -3.196633480e-01 5.20 -3.088012841e-01 -3.088012841e-01 5.22 -2.982837870e-01 -2.982837870e-01 5.24 -2.880896241e-01 -2.880896241e-01 5.26 -2.781986149e-01 -2.781986149e-01 5.28 -2.685920685e-01 -2.685920685e-01 5.30 -2.592531997e-01 -2.592531997e-01 5.32 -2.501675028e-01 -2.501675028e-01 5.34 -2.413230641e-01 -2.413230641e-01 5.36 -2.327107877e-01 -2.327107877e-01 5.38 -2.243245135e-01 -2.243245135e-01 5.40 -2.161610043e-01 -2.161610043e-01 5.42 -2.082197839e-01 -2.082197839e-01 5.44 -2.005028194e-01 -2.005028194e-01 5.46 -1.930140512e-01 -1.930140512e-01 5.48 -1.857587929e-01 -1.857587929e-01 5.50 -1.787430362e-01 -1.787430362e-01 5.52 -1.719727157e-01 -1.719727157e-01 5.54 -1.654529909e-01 -1.654529909e-01 5.56 -1.591876058e-01 -1.591876058e-01 5.58 -1.531783776e-01 -1.531783776e-01 5.60 -1.474247390e-01 -1.474247390e-01 5.62 -1.419235078e-01 -1.419235078e-01 5.64 -1.366695753e-01 -1.366695753e-01 5.66 -1.316555255e-01 -1.316555255e-01 5.68 -1.268718842e-01 -1.268718842e-01 5.70 -1.223074934e-01 -1.223074934e-01 5.72 -1.179499206e-01 -1.179499206e-01 5.74 -1.137858633e-01 -1.137858633e-01 5.76 -1.098015244e-01 -1.098015244e-01 5.78 -1.059829381e-01 -1.059829381e-01 5.80 -1.023162391e-01 -1.023162391e-01 5.82 -9.878787193e-02 -9.878787193e-02 5.84 -9.538474525e-02 -9.538474525e-02 5.86 -9.209433810e-02 -9.209433810e-02 5.88 -8.890476699e-02 -8.890476699e-02 5.90 -8.580482408e-02 -8.580482408e-02 5.92 -8.278399576e-02 -8.278399576e-02 5.94 -7.983247044e-02 -7.983247044e-02 5.96 -7.694114318e-02 -7.694114318e-02 5.98 -7.410162335e-02 -7.410162335e-02 6.00 -7.130625052e-02 -7.130625052e-02