# 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 = Ni2PdZr # 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 2.224934024e+02 2.224934024e+02 1.30 2.057410544e+02 2.057410544e+02 1.32 1.902356011e+02 1.902356011e+02 1.34 1.758791277e+02 1.758791277e+02 1.36 1.625832825e+02 1.625832825e+02 1.38 1.502662654e+02 1.502662654e+02 1.40 1.388514911e+02 1.388514911e+02 1.42 1.282679132e+02 1.282679132e+02 1.44 1.184505731e+02 1.184505731e+02 1.46 1.093407420e+02 1.093407420e+02 1.48 1.008855802e+02 1.008855802e+02 1.50 9.303729702e+01 9.303729702e+01 1.52 8.575189848e+01 8.575189848e+01 1.54 7.898805377e+01 7.898805377e+01 1.56 7.270635217e+01 7.270635217e+01 1.58 6.686928289e+01 6.686928289e+01 1.60 6.144172395e+01 6.144172395e+01 1.62 5.639162965e+01 5.639162965e+01 1.64 5.169043711e+01 5.169043711e+01 1.66 4.731292538e+01 4.731292538e+01 1.68 4.323656527e+01 4.323656527e+01 1.70 3.944067833e+01 3.944067833e+01 1.72 3.590581758e+01 3.590581758e+01 1.74 3.261356320e+01 3.261356320e+01 1.76 2.954714505e+01 2.954714505e+01 1.78 2.669093807e+01 2.669093807e+01 1.80 2.403608003e+01 2.403608003e+01 1.82 2.158043043e+01 2.158043043e+01 1.84 1.931079788e+01 1.931079788e+01 1.86 1.721435154e+01 1.721435154e+01 1.88 1.527879437e+01 1.527879437e+01 1.90 1.349236921e+01 1.349236921e+01 1.92 1.184394435e+01 1.184394435e+01 1.94 1.032315003e+01 1.032315003e+01 1.96 8.920410528e+00 8.920410528e+00 1.98 7.626954301e+00 7.626954301e+00 2.00 6.434786600e+00 6.434786600e+00 2.02 5.336620360e+00 5.336620360e+00 2.04 4.325781723e+00 4.325781723e+00 2.06 3.396107280e+00 3.396107280e+00 2.08 2.541859161e+00 2.541859161e+00 2.10 1.757657239e+00 1.757657239e+00 2.12 1.038468144e+00 1.038468144e+00 2.14 3.796046506e-01 3.796046506e-01 2.16 -2.232582641e-01 -2.232582641e-01 2.18 -7.740960642e-01 -7.740960642e-01 2.20 -1.276569275e+00 -1.276569275e+00 2.22 -1.734086482e+00 -1.734086482e+00 2.24 -2.149850349e+00 -2.149850349e+00 2.26 -2.526876846e+00 -2.526876846e+00 2.28 -2.867992812e+00 -2.867992812e+00 2.30 -3.175825863e+00 -3.175825863e+00 2.32 -3.452827279e+00 -3.452827279e+00 2.34 -3.701277095e+00 -3.701277095e+00 2.36 -3.923326018e+00 -3.923326018e+00 2.38 -4.121006383e+00 -4.121006383e+00 2.40 -4.296233515e+00 -4.296233515e+00 2.42 -4.450807379e+00 -4.450807379e+00 2.44 -4.586412363e+00 -4.586412363e+00 2.46 -4.704682991e+00 -4.704682991e+00 2.48 -4.807117279e+00 -4.807117279e+00 2.50 -4.895035017e+00 -4.895035017e+00 2.52 -4.969681116e+00 -4.969681116e+00 2.54 -5.032199521e+00 -5.032199521e+00 2.56 -5.083611107e+00 -5.083611107e+00 2.58 -5.124805365e+00 -5.124805365e+00 2.60 -5.156543784e+00 -5.156543784e+00 2.62 -5.179375718e+00 -5.179375718e+00 2.64 -5.193718980e+00 -5.193718980e+00 2.66 -5.199989667e+00 -5.199989667e+00 2.68 -5.198632667e+00 -5.198632667e+00 2.70 -5.190128383e+00 -5.190128383e+00 2.72 -5.174993909e+00 -5.174993909e+00 2.74 -5.153771014e+00 -5.153771014e+00 2.76 -5.127014638e+00 -5.127014638e+00 2.78 -5.095310586e+00 -5.095310586e+00 2.80 -5.059476885e+00 -5.059476885e+00 2.82 -5.019908345e+00 -5.019908345e+00 2.84 -4.976887808e+00 -4.976887808e+00 2.86 -4.930678604e+00 -4.930678604e+00 2.88 -4.881522425e+00 -4.881522425e+00 2.90 -4.829534029e+00 -4.829534029e+00 2.92 -4.774764220e+00 -4.774764220e+00 2.94 -4.717307955e+00 -4.717307955e+00 2.96 -4.657313459e+00 -4.657313459e+00 2.98 -4.594983590e+00 -4.594983590e+00 3.00 -4.530526946e+00 -4.530526946e+00 3.02 -4.464145401e+00 -4.464145401e+00 3.04 -4.396027439e+00 -4.396027439e+00 3.06 -4.326357740e+00 -4.326357740e+00 3.08 -4.255302072e+00 -4.255302072e+00 3.10 -4.183022227e+00 -4.183022227e+00 3.12 -4.109673965e+00 -4.109673965e+00 3.14 -4.035417968e+00 -4.035417968e+00 3.16 -3.960407627e+00 -3.960407627e+00 3.18 -3.884798740e+00 -3.884798740e+00 3.20 -3.808746219e+00 -3.808746219e+00 3.22 -3.732403389e+00 -3.732403389e+00 3.24 -3.655921894e+00 -3.655921894e+00 3.26 -3.579452291e+00 -3.579452291e+00 3.28 -3.503144699e+00 -3.503144699e+00 3.30 -3.427148420e+00 -3.427148420e+00 3.32 -3.351609576e+00 -3.351609576e+00 3.34 -3.276666572e+00 -3.276666572e+00 3.36 -3.202444186e+00 -3.202444186e+00 3.38 -3.129047786e+00 -3.129047786e+00 3.40 -3.056558068e+00 -3.056558068e+00 3.42 -2.985034123e+00 -2.985034123e+00 3.44 -2.914507051e+00 -2.914507051e+00 3.46 -2.844988264e+00 -2.844988264e+00 3.48 -2.776472203e+00 -2.776472203e+00 3.50 -2.708940759e+00 -2.708940759e+00 3.52 -2.642367435e+00 -2.642367435e+00 3.54 -2.576720942e+00 -2.576720942e+00 3.56 -2.511968145e+00 -2.511968145e+00 3.58 -2.448076355e+00 -2.448076355e+00 3.60 -2.385015013e+00 -2.385015013e+00 3.62 -2.322756846e+00 -2.322756846e+00 3.64 -2.261278614e+00 -2.261278614e+00 3.66 -2.200561592e+00 -2.200561592e+00 3.68 -2.140592000e+00 -2.140592000e+00 3.70 -2.081361561e+00 -2.081361561e+00 3.72 -2.022868379e+00 -2.022868379e+00 3.74 -1.965118203e+00 -1.965118203e+00 3.76 -1.908126026e+00 -1.908126026e+00 3.78 -1.851917802e+00 -1.851917802e+00 3.80 -1.796531880e+00 -1.796531880e+00 3.82 -1.742019631e+00 -1.742019631e+00 3.84 -1.688444753e+00 -1.688444753e+00 3.86 -1.635880846e+00 -1.635880846e+00 3.88 -1.584407187e+00 -1.584407187e+00 3.90 -1.534103040e+00 -1.534103040e+00 3.92 -1.485039909e+00 -1.485039909e+00 3.94 -1.437281192e+00 -1.437281192e+00 3.96 -1.390868431e+00 -1.390868431e+00 3.98 -1.345825089e+00 -1.345825089e+00 4.00 -1.302154588e+00 -1.302154588e+00 4.02 -1.259842179e+00 -1.259842179e+00 4.04 -1.218858321e+00 -1.218858321e+00 4.06 -1.179162764e+00 -1.179162764e+00 4.08 -1.140708600e+00 -1.140708600e+00 4.10 -1.103441644e+00 -1.103441644e+00 4.12 -1.067319839e+00 -1.067319839e+00 4.14 -1.032287997e+00 -1.032287997e+00 4.16 -9.982971654e-01 -9.982971654e-01 4.18 -9.652995487e-01 -9.652995487e-01 4.20 -9.332481278e-01 -9.332481278e-01 4.22 -9.020962879e-01 -9.020962879e-01 4.24 -8.717977024e-01 -8.717977024e-01 4.26 -8.423066296e-01 -8.423066296e-01 4.28 -8.135786668e-01 -8.135786668e-01 4.30 -7.855719170e-01 -7.855719170e-01 4.32 -7.582484437e-01 -7.582484437e-01 4.34 -7.315758427e-01 -7.315758427e-01 4.36 -7.055287300e-01 -7.055287300e-01 4.38 -6.800899418e-01 -6.800899418e-01 4.40 -6.552512551e-01 -6.552512551e-01 4.42 -6.310134710e-01 -6.310134710e-01 4.44 -6.073857655e-01 -6.073857655e-01 4.46 -5.843842923e-01 -5.843842923e-01 4.48 -5.620301243e-01 -5.620301243e-01 4.50 -5.403467233e-01 -5.403467233e-01 4.52 -5.193572096e-01 -5.193572096e-01 4.54 -4.990817520e-01 -4.990817520e-01 4.56 -4.795353835e-01 -4.795353835e-01 4.58 -4.607264857e-01 -4.607264857e-01 4.60 -4.426560739e-01 -4.426560739e-01 4.62 -4.253178902e-01 -4.253178902e-01 4.64 -4.086991916e-01 -4.086991916e-01 4.66 -3.927820357e-01 -3.927820357e-01 4.68 -3.775448247e-01 -3.775448247e-01 4.70 -3.629638725e-01 -3.629638725e-01 4.72 -3.490147933e-01 -3.490147933e-01 4.74 -3.356733582e-01 -3.356733582e-01 4.76 -3.229166104e-01 -3.229166104e-01 4.78 -3.107231760e-01 -3.107231760e-01 4.80 -2.990697072e-01 -2.990697072e-01 4.82 -2.879439056e-01 -2.879439056e-01 4.84 -2.773233468e-01 -2.773233468e-01 4.86 -2.671895764e-01 -2.671895764e-01 4.88 -2.575238742e-01 -2.575238742e-01 4.90 -2.483069571e-01 -2.483069571e-01 4.92 -2.395188204e-01 -2.395188204e-01 4.94 -2.311387241e-01 -2.311387241e-01 4.96 -2.231453036e-01 -2.231453036e-01 4.98 -2.155167762e-01 -2.155167762e-01 5.00 -2.082312032e-01 -2.082312032e-01 5.02 -2.012667727e-01 -2.012667727e-01 5.04 -1.946020730e-01 -1.946020730e-01 5.06 -1.882163354e-01 -1.882163354e-01 5.08 -1.820896326e-01 -1.820896326e-01 5.10 -1.762030299e-01 -1.762030299e-01 5.12 -1.705386900e-01 -1.705386900e-01 5.14 -1.650799378e-01 -1.650799378e-01 5.16 -1.598112921e-01 -1.598112921e-01 5.18 -1.547184771e-01 -1.547184771e-01 5.20 -1.497884178e-01 -1.497884178e-01 5.22 -1.450092326e-01 -1.450092326e-01 5.24 -1.403702244e-01 -1.403702244e-01 5.26 -1.358618785e-01 -1.358618785e-01 5.28 -1.314758659e-01 -1.314758659e-01 5.30 -1.272050534e-01 -1.272050534e-01 5.32 -1.230435144e-01 -1.230435144e-01 5.34 -1.189865380e-01 -1.189865380e-01 5.36 -1.150306227e-01 -1.150306227e-01 5.38 -1.111734494e-01 -1.111734494e-01 5.40 -1.074138233e-01 -1.074138233e-01 5.42 -1.037515747e-01 -1.037515747e-01 5.44 -1.001874147e-01 -1.001874147e-01 5.46 -9.672274370e-02 -9.672274370e-02 5.48 -9.335942365e-02 -9.335942365e-02 5.50 -9.009951796e-02 -9.009951796e-02 5.52 -8.694502000e-02 -8.694502000e-02 5.54 -8.389759261e-02 -8.389759261e-02 5.56 -8.095833776e-02 -8.095833776e-02 5.58 -7.812761424e-02 -7.812761424e-02 5.60 -7.540486355e-02 -7.540486355e-02 5.62 -7.278862942e-02 -7.278862942e-02 5.64 -7.027661962e-02 -7.027661962e-02 5.66 -6.786567250e-02 -6.786567250e-02 5.68 -6.555186408e-02 -6.555186408e-02 5.70 -6.333064265e-02 -6.333064265e-02 5.72 -6.119697534e-02 -6.119697534e-02 5.74 -5.914549392e-02 -5.914549392e-02 5.76 -5.717062990e-02 -5.717062990e-02 5.78 -5.526673248e-02 -5.526673248e-02 5.80 -5.342816622e-02 -5.342816622e-02 5.82 -5.164938773e-02 -5.164938773e-02 5.84 -4.992500300e-02 -4.992500300e-02 5.86 -4.824980794e-02 -4.824980794e-02 5.88 -4.661881569e-02 -4.661881569e-02 5.90 -4.502727437e-02 -4.502727437e-02 5.92 -4.347067888e-02 -4.347067888e-02 5.94 -4.194478021e-02 -4.194478021e-02 5.96 -4.044559509e-02 -4.044559509e-02 5.98 -3.896941858e-02 -3.896941858e-02 6.00 -3.751284147e-02 -3.751284147e-02