# 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 = AuPbW2 # 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 5.130417250e+02 5.130417250e+02 1.30 4.772554473e+02 4.772554473e+02 1.32 4.440518676e+02 4.440518676e+02 1.34 4.132169288e+02 4.132169288e+02 1.36 3.845640690e+02 3.845640690e+02 1.38 3.579307017e+02 3.579307017e+02 1.40 3.331730099e+02 3.331730099e+02 1.42 3.101595674e+02 3.101595674e+02 1.44 2.887660300e+02 2.887660300e+02 1.46 2.688726662e+02 2.688726662e+02 1.48 2.503646908e+02 2.503646908e+02 1.50 2.331341037e+02 2.331341037e+02 1.52 2.170815054e+02 2.170815054e+02 1.54 2.021169088e+02 2.021169088e+02 1.56 1.881592855e+02 1.881592855e+02 1.58 1.751353064e+02 1.751353064e+02 1.60 1.629778131e+02 1.629778131e+02 1.62 1.516244682e+02 1.516244682e+02 1.64 1.410167628e+02 1.410167628e+02 1.66 1.310995279e+02 1.310995279e+02 1.68 1.218209545e+02 1.218209545e+02 1.70 1.131330366e+02 1.131330366e+02 1.72 1.049922672e+02 1.049922672e+02 1.74 9.736032786e+01 9.736032786e+01 1.76 9.020449840e+01 9.020449840e+01 1.78 8.349751014e+01 8.349751014e+01 1.80 7.721669347e+01 7.721669347e+01 1.82 7.134253781e+01 7.134253781e+01 1.84 6.585699858e+01 6.585699858e+01 1.86 6.074212180e+01 6.074212180e+01 1.88 5.597995760e+01 5.597995760e+01 1.90 5.155048150e+01 5.155048150e+01 1.92 4.743724816e+01 4.743724816e+01 1.94 4.363108371e+01 4.363108371e+01 1.96 4.011035863e+01 4.011035863e+01 1.98 3.685201805e+01 3.685201805e+01 2.00 3.383452716e+01 3.383452716e+01 2.02 3.103797934e+01 3.103797934e+01 2.04 2.844408225e+01 2.844408225e+01 2.06 2.603606262e+01 2.603606262e+01 2.08 2.379853660e+01 2.379853660e+01 2.10 2.171738383e+01 2.171738383e+01 2.12 1.977967252e+01 1.977967252e+01 2.14 1.797362677e+01 1.797362677e+01 2.16 1.628862578e+01 1.628862578e+01 2.18 1.471519928e+01 1.471519928e+01 2.20 1.324498553e+01 1.324498553e+01 2.22 1.187064650e+01 1.187064650e+01 2.24 1.058574221e+01 1.058574221e+01 2.26 9.384584472e+00 9.384584472e+00 2.28 8.262092349e+00 8.262092349e+00 2.30 7.213658955e+00 7.213658955e+00 2.32 6.235041924e+00 6.235041924e+00 2.34 5.322286254e+00 5.322286254e+00 2.36 4.471660946e+00 4.471660946e+00 2.38 3.679621213e+00 3.679621213e+00 2.40 2.942786098e+00 2.942786098e+00 2.42 2.257930537e+00 2.257930537e+00 2.44 1.621986565e+00 1.621986565e+00 2.46 1.032051594e+00 1.032051594e+00 2.48 4.853960895e-01 4.853960895e-01 2.50 -2.044450208e-02 -2.044450208e-02 2.52 -4.877813560e-01 -4.877813560e-01 2.54 -9.190013846e-01 -9.190013846e-01 2.56 -1.316321266e+00 -1.316321266e+00 2.58 -1.681798952e+00 -1.681798952e+00 2.60 -2.017347815e+00 -2.017347815e+00 2.62 -2.324746497e+00 -2.324746497e+00 2.64 -2.605650090e+00 -2.605650090e+00 2.66 -2.861474110e+00 -2.861474110e+00 2.68 -3.093051734e+00 -3.093051734e+00 2.70 -3.301108699e+00 -3.301108699e+00 2.72 -3.486415574e+00 -3.486415574e+00 2.74 -3.649781097e+00 -3.649781097e+00 2.76 -3.792046319e+00 -3.792046319e+00 2.78 -3.914078798e+00 -3.914078798e+00 2.80 -4.016767442e+00 -4.016767442e+00 2.82 -4.101019364e+00 -4.101019364e+00 2.84 -4.167759825e+00 -4.167759825e+00 2.86 -4.217936189e+00 -4.217936189e+00 2.88 -4.252525514e+00 -4.252525514e+00 2.90 -4.272544441e+00 -4.272544441e+00 2.92 -4.279058967e+00 -4.279058967e+00 2.94 -4.273191041e+00 -4.273191041e+00 2.96 -4.256118792e+00 -4.256118792e+00 2.98 -4.229067914e+00 -4.229067914e+00 3.00 -4.193357387e+00 -4.193357387e+00 3.02 -4.150233501e+00 -4.150233501e+00 3.04 -4.100833656e+00 -4.100833656e+00 3.06 -4.046239673e+00 -4.046239673e+00 3.08 -3.987438778e+00 -3.987438778e+00 3.10 -3.925294901e+00 -3.925294901e+00 3.12 -3.860527701e+00 -3.860527701e+00 3.14 -3.793708136e+00 -3.793708136e+00 3.16 -3.725246964e+00 -3.725246964e+00 3.18 -3.655412970e+00 -3.655412970e+00 3.20 -3.584355735e+00 -3.584355735e+00 3.22 -3.512125709e+00 -3.512125709e+00 3.24 -3.438695429e+00 -3.438695429e+00 3.26 -3.363981233e+00 -3.363981233e+00 3.28 -3.287865106e+00 -3.287865106e+00 3.30 -3.210216567e+00 -3.210216567e+00 3.32 -3.130914308e+00 -3.130914308e+00 3.34 -3.049866993e+00 -3.049866993e+00 3.36 -2.967098225e+00 -2.967098225e+00 3.38 -2.882574048e+00 -2.882574048e+00 3.40 -2.796224743e+00 -2.796224743e+00 3.42 -2.708109362e+00 -2.708109362e+00 3.44 -2.618411552e+00 -2.618411552e+00 3.46 -2.527370453e+00 -2.527370453e+00 3.48 -2.435318438e+00 -2.435318438e+00 3.50 -2.342711044e+00 -2.342711044e+00 3.52 -2.250096518e+00 -2.250096518e+00 3.54 -2.158078478e+00 -2.158078478e+00 3.56 -2.067276157e+00 -2.067276157e+00 3.58 -1.978286442e+00 -1.978286442e+00 3.60 -1.891651410e+00 -1.891651410e+00 3.62 -1.807834002e+00 -1.807834002e+00 3.64 -1.727203049e+00 -1.727203049e+00 3.66 -1.650027486e+00 -1.650027486e+00 3.68 -1.576478477e+00 -1.576478477e+00 3.70 -1.506637516e+00 -1.506637516e+00 3.72 -1.440508329e+00 -1.440508329e+00 3.74 -1.378030566e+00 -1.378030566e+00 3.76 -1.319093683e+00 -1.319093683e+00 3.78 -1.263549915e+00 -1.263549915e+00 3.80 -1.211225704e+00 -1.211225704e+00 3.82 -1.161931377e+00 -1.161931377e+00 3.84 -1.115469072e+00 -1.115469072e+00 3.86 -1.071639064e+00 -1.071639064e+00 3.88 -1.030244696e+00 -1.030244696e+00 3.90 -9.910960800e-01 -9.910960800e-01 3.92 -9.540123771e-01 -9.540123771e-01 3.94 -9.188251668e-01 -9.188251668e-01 3.96 -8.853769314e-01 -8.853769314e-01 3.98 -8.535232575e-01 -8.535232575e-01 4.00 -8.231323180e-01 -8.231323180e-01 4.02 -7.940844983e-01 -7.940844983e-01 4.04 -7.662718098e-01 -7.662718098e-01 4.06 -7.395971909e-01 -7.395971909e-01 4.08 -7.139737725e-01 -7.139737725e-01 4.10 -6.893227266e-01 -6.893227266e-01 4.12 -6.655786372e-01 -6.655786372e-01 4.14 -6.426794420e-01 -6.426794420e-01 4.16 -6.205725862e-01 -6.205725862e-01 4.18 -5.992128071e-01 -5.992128071e-01 4.20 -5.785617035e-01 -5.785617035e-01 4.22 -5.585872822e-01 -5.585872822e-01 4.24 -5.392634343e-01 -5.392634343e-01 4.26 -5.205692992e-01 -5.205692992e-01 4.28 -5.024884864e-01 -5.024884864e-01 4.30 -4.850081525e-01 -4.850081525e-01 4.32 -4.681179549e-01 -4.681179549e-01 4.34 -4.518089341e-01 -4.518089341e-01 4.36 -4.360724142e-01 -4.360724142e-01 4.38 -4.208990030e-01 -4.208990030e-01 4.40 -4.062777761e-01 -4.062777761e-01 4.42 -3.921957012e-01 -3.921957012e-01 4.44 -3.786373427e-01 -3.786373427e-01 4.46 -3.655848371e-01 -3.655848371e-01 4.48 -3.530178801e-01 -3.530178801e-01 4.50 -3.409139750e-01 -3.409139750e-01 4.52 -3.292503517e-01 -3.292503517e-01 4.54 -3.180032050e-01 -3.180032050e-01 4.56 -3.071481691e-01 -3.071481691e-01 4.58 -2.966608524e-01 -2.966608524e-01 4.60 -2.865172771e-01 -2.865172771e-01 4.62 -2.766942256e-01 -2.766942256e-01 4.64 -2.671695049e-01 -2.671695049e-01 4.66 -2.579221467e-01 -2.579221467e-01 4.68 -2.489325614e-01 -2.489325614e-01 4.70 -2.401826662e-01 -2.401826662e-01 4.72 -2.316559999e-01 -2.316559999e-01 4.74 -2.233378377e-01 -2.233378377e-01 4.76 -2.152153102e-01 -2.152153102e-01 4.78 -2.072775276e-01 -2.072775276e-01 4.80 -1.995149078e-01 -1.995149078e-01 4.82 -1.919226021e-01 -1.919226021e-01 4.84 -1.844953996e-01 -1.844953996e-01 4.86 -1.772313812e-01 -1.772313812e-01 4.88 -1.701309430e-01 -1.701309430e-01 4.90 -1.631966833e-01 -1.631966833e-01 4.92 -1.564331879e-01 -1.564331879e-01 4.94 -1.498467066e-01 -1.498467066e-01 4.96 -1.434447272e-01 -1.434447272e-01 4.98 -1.372354634e-01 -1.372354634e-01 5.00 -1.312272870e-01 -1.312272870e-01 5.02 -1.254281459e-01 -1.254281459e-01 5.04 -1.198450123e-01 -1.198450123e-01 5.06 -1.144834077e-01 -1.144834077e-01 5.08 -1.093470417e-01 -1.093470417e-01 5.10 -1.044375884e-01 -1.044375884e-01 5.12 -9.975461176e-02 -9.975461176e-02 5.14 -9.529562971e-02 -9.529562971e-02 5.16 -9.105629716e-02 -9.105629716e-02 5.18 -8.703067548e-02 -8.703067548e-02 5.20 -8.321155257e-02 -8.321155257e-02 5.22 -7.959077820e-02 -7.959077820e-02 5.24 -7.615958362e-02 -7.615958362e-02 5.26 -7.290884805e-02 -7.290884805e-02 5.28 -6.982926955e-02 -6.982926955e-02 5.30 -6.691171827e-02 -6.691171827e-02 5.32 -6.414725846e-02 -6.414725846e-02 5.34 -6.152719288e-02 -6.152719288e-02 5.36 -5.904309316e-02 -5.904309316e-02 5.38 -5.668680555e-02 -5.668680555e-02 5.40 -5.445044303e-02 -5.445044303e-02 5.42 -5.232637292e-02 -5.232637292e-02 5.44 -5.030720631e-02 -5.030720631e-02 5.46 -4.838579279e-02 -4.838579279e-02 5.48 -4.655522179e-02 -4.655522179e-02 5.50 -4.480882970e-02 -4.480882970e-02 5.52 -4.314021108e-02 -4.314021108e-02 5.54 -4.154323188e-02 -4.154323188e-02 5.56 -4.001204246e-02 -4.001204246e-02 5.58 -3.854108889e-02 -3.854108889e-02 5.60 -3.712512146e-02 -3.712512146e-02 5.62 -3.575920000e-02 -3.575920000e-02 5.64 -3.443869597e-02 -3.443869597e-02 5.66 -3.315929219e-02 -3.315929219e-02 5.68 -3.191698094e-02 -3.191698094e-02 5.70 -3.070806131e-02 -3.070806131e-02 5.72 -2.952913690e-02 -2.952913690e-02 5.74 -2.837711466e-02 -2.837711466e-02 5.76 -2.724920577e-02 -2.724920577e-02 5.78 -2.614292885e-02 -2.614292885e-02 5.80 -2.505611595e-02 -2.505611595e-02 5.82 -2.398692103e-02 -2.398692103e-02 5.84 -2.293383058e-02 -2.293383058e-02 5.86 -2.189567563e-02 -2.189567563e-02 5.88 -2.087164383e-02 -2.087164383e-02 5.90 -1.986129035e-02 -1.986129035e-02 5.92 -1.886454547e-02 -1.886454547e-02 5.94 -1.788170540e-02 -1.788170540e-02 5.96 -1.691337088e-02 -1.691337088e-02 5.98 -1.596058650e-02 -1.596058650e-02 6.00 -1.502475015e-02 -1.502475015e-02