# 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 = CoPbPt2 # 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 3.592852657e+02 3.592852657e+02 1.30 3.353381842e+02 3.353381842e+02 1.32 3.129760705e+02 3.129760705e+02 1.34 2.920818466e+02 2.920818466e+02 1.36 2.725478052e+02 2.725478052e+02 1.38 2.542749448e+02 2.542749448e+02 1.40 2.371746219e+02 2.371746219e+02 1.42 2.211697417e+02 2.211697417e+02 1.44 2.061916840e+02 2.061916840e+02 1.46 1.921752700e+02 1.921752700e+02 1.48 1.790564419e+02 1.790564419e+02 1.50 1.667726198e+02 1.667726198e+02 1.52 1.552630844e+02 1.552630844e+02 1.54 1.444687360e+02 1.444687360e+02 1.56 1.343324716e+02 1.343324716e+02 1.58 1.248004826e+02 1.248004826e+02 1.60 1.158237021e+02 1.158237021e+02 1.62 1.073585923e+02 1.073585923e+02 1.64 9.936725077e+01 9.936725077e+01 1.66 9.181709139e+01 9.181709139e+01 1.68 8.468042349e+01 8.468042349e+01 1.70 7.793397890e+01 7.793397890e+01 1.72 7.155811176e+01 7.155811176e+01 1.74 6.553548218e+01 6.553548218e+01 1.76 5.992326512e+01 5.992326512e+01 1.78 5.475430196e+01 5.475430196e+01 1.80 4.999131465e+01 4.999131465e+01 1.82 4.559931827e+01 4.559931827e+01 1.84 4.154718322e+01 4.154718322e+01 1.86 3.780824984e+01 3.780824984e+01 1.88 3.435990075e+01 3.435990075e+01 1.90 3.118233318e+01 3.118233318e+01 1.92 2.825713015e+01 2.825713015e+01 1.94 2.556623026e+01 2.556623026e+01 1.96 2.309166652e+01 2.309166652e+01 1.98 2.081586538e+01 2.081586538e+01 2.00 1.872212548e+01 1.872212548e+01 2.02 1.679498460e+01 1.679498460e+01 2.04 1.502038912e+01 1.502038912e+01 2.06 1.338570142e+01 1.338570142e+01 2.08 1.187959736e+01 1.187959736e+01 2.10 1.049190576e+01 1.049190576e+01 2.12 9.213420814e+00 9.213420814e+00 2.14 8.035741273e+00 8.035741273e+00 2.16 6.951156452e+00 6.951156452e+00 2.18 5.952588656e+00 5.952588656e+00 2.20 5.033569010e+00 5.033569010e+00 2.22 4.188222967e+00 4.188222967e+00 2.24 3.411241994e+00 3.411241994e+00 2.26 2.697838067e+00 2.697838067e+00 2.28 2.043681958e+00 2.043681958e+00 2.30 1.444839483e+00 1.444839483e+00 2.32 8.977005994e-01 8.977005994e-01 2.34 3.989146415e-01 3.989146415e-01 2.36 -5.466968621e-02 -5.466968621e-02 2.38 -4.660557590e-01 -4.660557590e-01 2.40 -8.381392900e-01 -8.381392900e-01 2.42 -1.173733823e+00 -1.173733823e+00 2.44 -1.475579933e+00 -1.475579933e+00 2.46 -1.746337483e+00 -1.746337483e+00 2.48 -1.988568193e+00 -1.988568193e+00 2.50 -2.204894654e+00 -2.204894654e+00 2.52 -2.399861173e+00 -2.399861173e+00 2.54 -2.575671808e+00 -2.575671808e+00 2.56 -2.733655427e+00 -2.733655427e+00 2.58 -2.875117230e+00 -2.875117230e+00 2.60 -3.001296538e+00 -3.001296538e+00 2.62 -3.113327362e+00 -3.113327362e+00 2.64 -3.212214786e+00 -3.212214786e+00 2.66 -3.298831864e+00 -3.298831864e+00 2.68 -3.373949407e+00 -3.373949407e+00 2.70 -3.438170629e+00 -3.438170629e+00 2.72 -3.492017038e+00 -3.492017038e+00 2.74 -3.535959236e+00 -3.535959236e+00 2.76 -3.570431595e+00 -3.570431595e+00 2.78 -3.595842398e+00 -3.595842398e+00 2.80 -3.612581854e+00 -3.612581854e+00 2.82 -3.621029037e+00 -3.621029037e+00 2.84 -3.621562047e+00 -3.621562047e+00 2.86 -3.614563264e+00 -3.614563264e+00 2.88 -3.600416084e+00 -3.600416084e+00 2.90 -3.579554133e+00 -3.579554133e+00 2.92 -3.552486269e+00 -3.552486269e+00 2.94 -3.519806841e+00 -3.519806841e+00 2.96 -3.482193486e+00 -3.482193486e+00 2.98 -3.440388519e+00 -3.440388519e+00 3.00 -3.395164158e+00 -3.395164158e+00 3.02 -3.347277058e+00 -3.347277058e+00 3.04 -3.297421044e+00 -3.297421044e+00 3.06 -3.246191281e+00 -3.246191281e+00 3.08 -3.194059114e+00 -3.194059114e+00 3.10 -3.141370931e+00 -3.141370931e+00 3.12 -3.088358760e+00 -3.088358760e+00 3.14 -3.035165763e+00 -3.035165763e+00 3.16 -2.981865898e+00 -2.981865898e+00 3.18 -2.928491499e+00 -2.928491499e+00 3.20 -2.875050891e+00 -2.875050891e+00 3.22 -2.821541347e+00 -2.821541347e+00 3.24 -2.767957022e+00 -2.767957022e+00 3.26 -2.714293342e+00 -2.714293342e+00 3.28 -2.660549408e+00 -2.660549408e+00 3.30 -2.606729543e+00 -2.606729543e+00 3.32 -2.552844544e+00 -2.552844544e+00 3.34 -2.498915571e+00 -2.498915571e+00 3.36 -2.445031712e+00 -2.445031712e+00 3.38 -2.391353710e+00 -2.391353710e+00 3.40 -2.338008668e+00 -2.338008668e+00 3.42 -2.285091174e+00 -2.285091174e+00 3.44 -2.232687538e+00 -2.232687538e+00 3.46 -2.180876492e+00 -2.180876492e+00 3.48 -2.129728763e+00 -2.129728763e+00 3.50 -2.079306560e+00 -2.079306560e+00 3.52 -2.029663073e+00 -2.029663073e+00 3.54 -1.980842106e+00 -1.980842106e+00 3.56 -1.932877918e+00 -1.932877918e+00 3.58 -1.885794326e+00 -1.885794326e+00 3.60 -1.839601563e+00 -1.839601563e+00 3.62 -1.794300812e+00 -1.794300812e+00 3.64 -1.749886899e+00 -1.749886899e+00 3.66 -1.706349162e+00 -1.706349162e+00 3.68 -1.663672500e+00 -1.663672500e+00 3.70 -1.621838473e+00 -1.621838473e+00 3.72 -1.580826348e+00 -1.580826348e+00 3.74 -1.540614022e+00 -1.540614022e+00 3.76 -1.501178759e+00 -1.501178759e+00 3.78 -1.462497725e+00 -1.462497725e+00 3.80 -1.424548339e+00 -1.424548339e+00 3.82 -1.387308479e+00 -1.387308479e+00 3.84 -1.350756615e+00 -1.350756615e+00 3.86 -1.314871902e+00 -1.314871902e+00 3.88 -1.279634298e+00 -1.279634298e+00 3.90 -1.245024717e+00 -1.245024717e+00 3.92 -1.211024959e+00 -1.211024959e+00 3.94 -1.177619263e+00 -1.177619263e+00 3.96 -1.144792741e+00 -1.144792741e+00 3.98 -1.112533280e+00 -1.112533280e+00 4.00 -1.080831792e+00 -1.080831792e+00 4.02 -1.049682928e+00 -1.049682928e+00 4.04 -1.019085815e+00 -1.019085815e+00 4.06 -9.890447408e-01 -9.890447408e-01 4.08 -9.595696550e-01 -9.595696550e-01 4.10 -9.306757182e-01 -9.306757182e-01 4.12 -9.023856930e-01 -9.023856930e-01 4.14 -8.747248591e-01 -8.747248591e-01 4.16 -8.477225390e-01 -8.477225390e-01 4.18 -8.214092717e-01 -8.214092717e-01 4.20 -7.958143784e-01 -7.958143784e-01 4.22 -7.709633610e-01 -7.709633610e-01 4.24 -7.468754212e-01 -7.468754212e-01 4.26 -7.235613734e-01 -7.235613734e-01 4.28 -7.010221623e-01 -7.010221623e-01 4.30 -6.792480948e-01 -6.792480948e-01 4.32 -6.582187873e-01 -6.582187873e-01 4.34 -6.379037457e-01 -6.379037457e-01 4.36 -6.182634362e-01 -6.182634362e-01 4.38 -5.992506885e-01 -5.992506885e-01 4.40 -5.808122739e-01 -5.808122739e-01 4.42 -5.628905257e-01 -5.628905257e-01 4.44 -5.454248933e-01 -5.454248933e-01 4.46 -5.283533568e-01 -5.283533568e-01 4.48 -5.116136629e-01 -5.116136629e-01 4.50 -4.951443776e-01 -4.951443776e-01 4.52 -4.788857809e-01 -4.788857809e-01 4.54 -4.627806528e-01 -4.627806528e-01 4.56 -4.467750172e-01 -4.467750172e-01 4.58 -4.308189099e-01 -4.308189099e-01 4.60 -4.148672372e-01 -4.148672372e-01 4.62 -3.988807727e-01 -3.988807727e-01 4.64 -3.828273169e-01 -3.828273169e-01 4.66 -3.666830151e-01 -3.666830151e-01 4.68 -3.504337884e-01 -3.504337884e-01 4.70 -3.340767943e-01 -3.340767943e-01 4.72 -3.176217876e-01 -3.176217876e-01 4.74 -3.010922203e-01 -3.010922203e-01 4.76 -2.845258915e-01 -2.845258915e-01 4.78 -2.679749587e-01 -2.679749587e-01 4.80 -2.515044339e-01 -2.515044339e-01 4.82 -2.351934455e-01 -2.351934455e-01 4.84 -2.191280015e-01 -2.191280015e-01 4.86 -2.034007624e-01 -2.034007624e-01 4.88 -1.881061486e-01 -1.881061486e-01 4.90 -1.733359871e-01 -1.733359871e-01 4.92 -1.591752281e-01 -1.591752281e-01 4.94 -1.456981038e-01 -1.456981038e-01 4.96 -1.329650585e-01 -1.329650585e-01 4.98 -1.210206779e-01 -1.210206779e-01 5.00 -1.098927252e-01 -1.098927252e-01 5.02 -9.959225956e-02 -9.959225956e-02 5.04 -9.011470632e-02 -9.011470632e-02 5.06 -8.144166568e-02 -8.144166568e-02 5.08 -7.354321312e-02 -7.354321312e-02 5.10 -6.638044117e-02 -6.638044117e-02 5.12 -5.990802120e-02 -5.990802120e-02 5.14 -5.407660197e-02 -5.407660197e-02 5.16 -4.883494494e-02 -4.883494494e-02 5.18 -4.413170779e-02 -4.413170779e-02 5.20 -3.991684218e-02 -3.991684218e-02 5.22 -3.614262979e-02 -3.614262979e-02 5.24 -3.276438681e-02 -3.276438681e-02 5.26 -2.974070046e-02 -2.974070046e-02 5.28 -2.703339623e-02 -2.703339623e-02 5.30 -2.460898970e-02 -2.460898970e-02 5.32 -2.243731236e-02 -2.243731236e-02 5.34 -2.049125018e-02 -2.049125018e-02 5.36 -1.874655238e-02 -1.874655238e-02 5.38 -1.718154877e-02 -1.718154877e-02 5.40 -1.577684619e-02 -1.577684619e-02 5.42 -1.451531319e-02 -1.451531319e-02 5.44 -1.338163433e-02 -1.338163433e-02 5.46 -1.236207928e-02 -1.236207928e-02 5.48 -1.144432147e-02 -1.144432147e-02 5.50 -1.061728205e-02 -1.061728205e-02 5.52 -9.870997194e-03 -9.870997194e-03 5.54 -9.196505121e-03 -9.196505121e-03 5.56 -8.585749347e-03 -8.585749347e-03 5.58 -8.031494548e-03 -8.031494548e-03 5.60 -7.527252028e-03 -7.527252028e-03 5.62 -7.067212211e-03 -7.067212211e-03 5.64 -6.646185873e-03 -6.646185873e-03 5.66 -6.259547088e-03 -6.259547088e-03 5.68 -5.903181249e-03 -5.903181249e-03 5.70 -5.573437243e-03 -5.573437243e-03 5.72 -5.267083386e-03 -5.267083386e-03 5.74 -4.981267056e-03 -4.981267056e-03 5.76 -4.713477980e-03 -4.713477980e-03 5.78 -4.461515107e-03 -4.461515107e-03 5.80 -4.223456969e-03 -4.223456969e-03 5.82 -3.997635345e-03 -3.997635345e-03 5.84 -3.782611997e-03 -3.782611997e-03 5.86 -3.577158153e-03 -3.577158153e-03 5.88 -3.380236388e-03 -3.380236388e-03 5.90 -3.190984460e-03 -3.190984460e-03 5.92 -3.008700645e-03 -3.008700645e-03 5.94 -2.832874890e-03 -2.832874890e-03 5.96 -2.663346369e-03 -2.663346369e-03 5.98 -2.499794539e-03 -2.499794539e-03 6.00 -2.341954815e-03 -2.341954815e-03