# 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 = CuPbZr2 # 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 3.611828717e+02 3.611828717e+02 1.30 3.370716327e+02 3.370716327e+02 1.32 3.146581999e+02 3.146581999e+02 1.34 2.938118050e+02 2.938118050e+02 1.36 2.744109896e+02 2.744109896e+02 1.38 2.563440263e+02 2.563440263e+02 1.40 2.395090962e+02 2.395090962e+02 1.42 2.238137392e+02 2.238137392e+02 1.44 2.091736340e+02 2.091736340e+02 1.46 1.955110215e+02 1.955110215e+02 1.48 1.827535300e+02 1.827535300e+02 1.50 1.708338878e+02 1.708338878e+02 1.52 1.596902248e+02 1.596902248e+02 1.54 1.492660597e+02 1.492660597e+02 1.56 1.395098693e+02 1.395098693e+02 1.58 1.303744732e+02 1.303744732e+02 1.60 1.218166343e+02 1.218166343e+02 1.62 1.137968553e+02 1.137968553e+02 1.64 1.062792958e+02 1.062792958e+02 1.66 9.923155584e+01 9.923155584e+01 1.68 9.262432004e+01 9.262432004e+01 1.70 8.643091137e+01 8.643091137e+01 1.72 8.062664999e+01 8.062664999e+01 1.74 7.518817246e+01 7.518817246e+01 1.76 7.009288619e+01 7.009288619e+01 1.78 6.531875806e+01 6.531875806e+01 1.80 6.084442236e+01 6.084442236e+01 1.82 5.664945513e+01 5.664945513e+01 1.84 5.271463187e+01 5.271463187e+01 1.86 4.902213229e+01 4.902213229e+01 1.88 4.555557941e+01 4.555557941e+01 1.90 4.230048692e+01 4.230048692e+01 1.92 3.924365796e+01 3.924365796e+01 1.94 3.637224391e+01 3.637224391e+01 1.96 3.367525439e+01 3.367525439e+01 1.98 3.114582560e+01 3.114582560e+01 2.00 2.877382065e+01 2.877382065e+01 2.02 2.654939793e+01 2.654939793e+01 2.04 2.446346162e+01 2.446346162e+01 2.06 2.250756796e+01 2.250756796e+01 2.08 2.067384100e+01 2.067384100e+01 2.10 1.895493106e+01 1.895493106e+01 2.12 1.734396813e+01 1.734396813e+01 2.14 1.583453432e+01 1.583453432e+01 2.16 1.442063838e+01 1.442063838e+01 2.18 1.309667564e+01 1.309667564e+01 2.20 1.185739289e+01 1.185739289e+01 2.22 1.069782849e+01 1.069782849e+01 2.24 9.613268396e+00 9.613268396e+00 2.26 8.599222839e+00 8.599222839e+00 2.28 7.651404744e+00 7.651404744e+00 2.30 6.765762210e+00 6.765762210e+00 2.32 5.938455496e+00 5.938455496e+00 2.34 5.165868210e+00 5.165868210e+00 2.36 4.444590106e+00 4.444590106e+00 2.38 3.771408441e+00 3.771408441e+00 2.40 3.143296993e+00 3.143296993e+00 2.42 2.557397308e+00 2.557397308e+00 2.44 2.011013504e+00 2.011013504e+00 2.46 1.501599806e+00 1.501599806e+00 2.48 1.026764794e+00 1.026764794e+00 2.50 5.842803811e-01 5.842803811e-01 2.52 1.720895278e-01 1.720895278e-01 2.54 -2.116939486e-01 -2.116939486e-01 2.56 -5.687951584e-01 -5.687951584e-01 2.58 -9.007952488e-01 -9.007952488e-01 2.60 -1.209152590e+00 -1.209152590e+00 2.62 -1.495223522e+00 -1.495223522e+00 2.64 -1.760291890e+00 -1.760291890e+00 2.66 -2.005575087e+00 -2.005575087e+00 2.68 -2.232246755e+00 -2.232246755e+00 2.70 -2.441473625e+00 -2.441473625e+00 2.72 -2.634442596e+00 -2.634442596e+00 2.74 -2.812103142e+00 -2.812103142e+00 2.76 -2.975355310e+00 -2.975355310e+00 2.78 -3.125054067e+00 -3.125054067e+00 2.80 -3.262008249e+00 -3.262008249e+00 2.82 -3.386956946e+00 -3.386956946e+00 2.84 -3.500584082e+00 -3.500584082e+00 2.86 -3.603522286e+00 -3.603522286e+00 2.88 -3.696300500e+00 -3.696300500e+00 2.90 -3.779229810e+00 -3.779229810e+00 2.92 -3.852611050e+00 -3.852611050e+00 2.94 -3.916781401e+00 -3.916781401e+00 2.96 -3.972108748e+00 -3.972108748e+00 2.98 -4.018984922e+00 -4.018984922e+00 3.00 -4.057818372e+00 -4.057818372e+00 3.02 -4.089026935e+00 -4.089026935e+00 3.04 -4.113026943e+00 -4.113026943e+00 3.06 -4.130247119e+00 -4.130247119e+00 3.08 -4.141095106e+00 -4.141095106e+00 3.10 -4.145977379e+00 -4.145977379e+00 3.12 -4.145290428e+00 -4.145290428e+00 3.14 -4.139554583e+00 -4.139554583e+00 3.16 -4.129168449e+00 -4.129168449e+00 3.18 -4.114373855e+00 -4.114373855e+00 3.20 -4.095419685e+00 -4.095419685e+00 3.22 -4.072555243e+00 -4.072555243e+00 3.24 -4.046025233e+00 -4.046025233e+00 3.26 -4.016067389e+00 -4.016067389e+00 3.28 -3.982912785e+00 -3.982912785e+00 3.30 -3.946787672e+00 -3.946787672e+00 3.32 -3.907915399e+00 -3.907915399e+00 3.34 -3.866525987e+00 -3.866525987e+00 3.36 -3.822852711e+00 -3.822852711e+00 3.38 -3.777117814e+00 -3.777117814e+00 3.40 -3.729527702e+00 -3.729527702e+00 3.42 -3.680279027e+00 -3.680279027e+00 3.44 -3.629547373e+00 -3.629547373e+00 3.46 -3.577496819e+00 -3.577496819e+00 3.48 -3.524279533e+00 -3.524279533e+00 3.50 -3.470037436e+00 -3.470037436e+00 3.52 -3.414903348e+00 -3.414903348e+00 3.54 -3.359001574e+00 -3.359001574e+00 3.56 -3.302448042e+00 -3.302448042e+00 3.58 -3.245350226e+00 -3.245350226e+00 3.60 -3.187807081e+00 -3.187807081e+00 3.62 -3.129909174e+00 -3.129909174e+00 3.64 -3.071739177e+00 -3.071739177e+00 3.66 -3.013372781e+00 -3.013372781e+00 3.68 -2.954883455e+00 -2.954883455e+00 3.70 -2.896363317e+00 -2.896363317e+00 3.72 -2.837863172e+00 -2.837863172e+00 3.74 -2.779428840e+00 -2.779428840e+00 3.76 -2.721114439e+00 -2.721114439e+00 3.78 -2.662984782e+00 -2.662984782e+00 3.80 -2.605117252e+00 -2.605117252e+00 3.82 -2.547602602e+00 -2.547602602e+00 3.84 -2.490544146e+00 -2.490544146e+00 3.86 -2.434054935e+00 -2.434054935e+00 3.88 -2.378251776e+00 -2.378251776e+00 3.90 -2.323244575e+00 -2.323244575e+00 3.92 -2.269129947e+00 -2.269129947e+00 3.94 -2.216002101e+00 -2.216002101e+00 3.96 -2.163923149e+00 -2.163923149e+00 3.98 -2.112936859e+00 -2.112936859e+00 4.00 -2.063063517e+00 -2.063063517e+00 4.02 -2.014301630e+00 -2.014301630e+00 4.04 -1.966631317e+00 -1.966631317e+00 4.06 -1.920018569e+00 -1.920018569e+00 4.08 -1.874419664e+00 -1.874419664e+00 4.10 -1.829777717e+00 -1.829777717e+00 4.12 -1.786057330e+00 -1.786057330e+00 4.14 -1.743197898e+00 -1.743197898e+00 4.16 -1.701150091e+00 -1.701150091e+00 4.18 -1.659867966e+00 -1.659867966e+00 4.20 -1.619309825e+00 -1.619309825e+00 4.22 -1.579438797e+00 -1.579438797e+00 4.24 -1.540223265e+00 -1.540223265e+00 4.26 -1.501637223e+00 -1.501637223e+00 4.28 -1.463660588e+00 -1.463660588e+00 4.30 -1.426279488e+00 -1.426279488e+00 4.32 -1.389486481e+00 -1.389486481e+00 4.34 -1.353280638e+00 -1.353280638e+00 4.36 -1.317667426e+00 -1.317667426e+00 4.38 -1.282658307e+00 -1.282658307e+00 4.40 -1.248270002e+00 -1.248270002e+00 4.42 -1.214523404e+00 -1.214523404e+00 4.44 -1.181442163e+00 -1.181442163e+00 4.46 -1.149051047e+00 -1.149051047e+00 4.48 -1.117374189e+00 -1.117374189e+00 4.50 -1.086433397e+00 -1.086433397e+00 4.52 -1.056246676e+00 -1.056246676e+00 4.54 -1.026827095e+00 -1.026827095e+00 4.56 -9.981820877e-01 -9.981820877e-01 4.58 -9.703131964e-01 -9.703131964e-01 4.60 -9.432162423e-01 -9.432162423e-01 4.62 -9.168818282e-01 -9.168818282e-01 4.64 -8.912960808e-01 -8.912960808e-01 4.66 -8.664415217e-01 -8.664415217e-01 4.68 -8.422979705e-01 -8.422979705e-01 4.70 -8.188434035e-01 -8.188434035e-01 4.72 -7.960547158e-01 -7.960547158e-01 4.74 -7.739083584e-01 -7.739083584e-01 4.76 -7.523808396e-01 -7.523808396e-01 4.78 -7.314490971e-01 -7.314490971e-01 4.80 -7.110840562e-01 -7.110840562e-01 4.82 -6.912786932e-01 -6.912786932e-01 4.84 -6.720043727e-01 -6.720043727e-01 4.86 -6.532414374e-01 -6.532414374e-01 4.88 -6.349711285e-01 -6.349711285e-01 4.90 -6.171755307e-01 -6.171755307e-01 4.92 -5.998375001e-01 -5.998375001e-01 4.94 -5.829405837e-01 -5.829405837e-01 4.96 -5.664689403e-01 -5.664689403e-01 4.98 -5.504072657e-01 -5.504072657e-01 5.00 -5.347407285e-01 -5.347407285e-01 5.02 -5.194549185e-01 -5.194549185e-01 5.04 -5.045358091e-01 -5.045358091e-01 5.06 -4.899697372e-01 -4.899697372e-01 5.08 -4.757433985e-01 -4.757433985e-01 5.10 -4.618438608e-01 -4.618438608e-01 5.12 -4.482585951e-01 -4.482585951e-01 5.14 -4.349755227e-01 -4.349755227e-01 5.16 -4.219830813e-01 -4.219830813e-01 5.18 -4.092703067e-01 -4.092703067e-01 5.20 -3.968269329e-01 -3.968269329e-01 5.22 -3.846435075e-01 -3.846435075e-01 5.24 -3.727115238e-01 -3.727115238e-01 5.26 -3.610235667e-01 -3.610235667e-01 5.28 -3.495734684e-01 -3.495734684e-01 5.30 -3.383564689e-01 -3.383564689e-01 5.32 -3.273693693e-01 -3.273693693e-01 5.34 -3.166106652e-01 -3.166106652e-01 5.36 -3.060806401e-01 -3.060806401e-01 5.38 -2.957813967e-01 -2.957813967e-01 5.40 -2.857168026e-01 -2.857168026e-01 5.42 -2.758923294e-01 -2.758923294e-01 5.44 -2.663147714e-01 -2.663147714e-01 5.46 -2.569918424e-01 -2.569918424e-01 5.48 -2.479316635e-01 -2.479316635e-01 5.50 -2.391421709e-01 -2.391421709e-01 5.52 -2.306304907e-01 -2.306304907e-01 5.54 -2.224023300e-01 -2.224023300e-01 5.56 -2.144614434e-01 -2.144614434e-01 5.58 -2.068092196e-01 -2.068092196e-01 5.60 -1.994444234e-01 -1.994444234e-01 5.62 -1.923631078e-01 -1.923631078e-01 5.64 -1.855586906e-01 -1.855586906e-01 5.66 -1.790221741e-01 -1.790221741e-01 5.68 -1.727424735e-01 -1.727424735e-01 5.70 -1.667068156e-01 -1.667068156e-01 5.72 -1.609011668e-01 -1.609011668e-01 5.74 -1.553106586e-01 -1.553106586e-01 5.76 -1.499199831e-01 -1.499199831e-01 5.78 -1.447137417e-01 -1.447137417e-01 5.80 -1.396767387e-01 -1.396767387e-01 5.82 -1.347942173e-01 -1.347942173e-01 5.84 -1.300520413e-01 -1.300520413e-01 5.86 -1.254368293e-01 -1.254368293e-01 5.88 -1.209360494e-01 -1.209360494e-01 5.90 -1.165380827e-01 -1.165380827e-01 5.92 -1.122322646e-01 -1.122322646e-01 5.94 -1.080089099e-01 -1.080089099e-01 5.96 -1.038593273e-01 -1.038593273e-01 5.98 -9.977572960e-02 -9.977572960e-02 6.00 -9.575141967e-02 -9.575141967e-02