# 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 = AgMgW2 # 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 4.755933401e+02 4.755933401e+02 1.30 4.400553604e+02 4.400553604e+02 1.32 4.072391907e+02 4.072391907e+02 1.34 3.769171526e+02 3.769171526e+02 1.36 3.488787611e+02 3.488787611e+02 1.38 3.229308763e+02 3.229308763e+02 1.40 2.988986237e+02 2.988986237e+02 1.42 2.766255070e+02 2.766255070e+02 1.44 2.559721033e+02 2.559721033e+02 1.46 2.368137789e+02 2.368137789e+02 1.48 2.190383233e+02 2.190383233e+02 1.50 2.025440874e+02 2.025440874e+02 1.52 1.872386335e+02 1.872386335e+02 1.54 1.730376389e+02 1.730376389e+02 1.56 1.598638866e+02 1.598638866e+02 1.58 1.476462980e+02 1.476462980e+02 1.60 1.363189935e+02 1.363189935e+02 1.62 1.258204145e+02 1.258204145e+02 1.64 1.160925939e+02 1.160925939e+02 1.66 1.070806483e+02 1.070806483e+02 1.68 9.873251911e+01 9.873251911e+01 1.70 9.099893107e+01 9.099893107e+01 1.72 8.383346520e+01 8.383346520e+01 1.74 7.719264472e+01 7.719264472e+01 1.76 7.103597813e+01 7.103597813e+01 1.78 6.532598353e+01 6.532598353e+01 1.80 6.002916395e+01 6.002916395e+01 1.82 5.511448936e+01 5.511448936e+01 1.84 5.055324447e+01 5.055324447e+01 1.86 4.631955727e+01 4.631955727e+01 1.88 4.239092847e+01 4.239092847e+01 1.90 3.874719086e+01 3.874719086e+01 1.92 3.536920196e+01 3.536920196e+01 1.94 3.223936192e+01 3.223936192e+01 1.96 2.934123870e+01 2.934123870e+01 1.98 2.665932103e+01 2.665932103e+01 2.00 2.417887217e+01 2.417887217e+01 2.02 2.188584230e+01 2.188584230e+01 2.04 1.976680246e+01 1.976680246e+01 2.06 1.780888561e+01 1.780888561e+01 2.08 1.599974551e+01 1.599974551e+01 2.10 1.432755735e+01 1.432755735e+01 2.12 1.278107780e+01 1.278107780e+01 2.14 1.134975719e+01 1.134975719e+01 2.16 1.002387379e+01 1.002387379e+01 2.18 8.794644333e+00 8.794644333e+00 2.20 7.654275379e+00 7.654275379e+00 2.22 6.595938143e+00 6.595938143e+00 2.24 5.613677970e+00 5.613677970e+00 2.26 4.702282764e+00 4.702282764e+00 2.28 3.857138269e+00 3.857138269e+00 2.30 3.074094336e+00 3.074094336e+00 2.32 2.349351443e+00 2.349351443e+00 2.34 1.679377774e+00 1.679377774e+00 2.36 1.060849550e+00 1.060849550e+00 2.38 4.906766810e-01 4.906766810e-01 2.40 -3.401608752e-02 -3.401608752e-02 2.42 -5.162676812e-01 -5.162676812e-01 2.44 -9.589607091e-01 -9.589607091e-01 2.46 -1.364801580e+00 -1.364801580e+00 2.48 -1.736323572e+00 -1.736323572e+00 2.50 -2.075887883e+00 -2.075887883e+00 2.52 -2.385684272e+00 -2.385684272e+00 2.54 -2.667582260e+00 -2.667582260e+00 2.56 -2.922801224e+00 -2.922801224e+00 2.58 -3.152429104e+00 -3.152429104e+00 2.60 -3.357544073e+00 -3.357544073e+00 2.62 -3.539205790e+00 -3.539205790e+00 2.64 -3.698450503e+00 -3.698450503e+00 2.66 -3.836285321e+00 -3.836285321e+00 2.68 -3.953685847e+00 -3.953685847e+00 2.70 -4.051594906e+00 -4.051594906e+00 2.72 -4.130924361e+00 -4.130924361e+00 2.74 -4.192559420e+00 -4.192559420e+00 2.76 -4.237364475e+00 -4.237364475e+00 2.78 -4.266189621e+00 -4.266189621e+00 2.80 -4.279878534e+00 -4.279878534e+00 2.82 -4.279276482e+00 -4.279276482e+00 2.84 -4.265241858e+00 -4.265241858e+00 2.86 -4.238659409e+00 -4.238659409e+00 2.88 -4.200455386e+00 -4.200455386e+00 2.90 -4.151612650e+00 -4.151612650e+00 2.92 -4.093182923e+00 -4.093182923e+00 2.94 -4.026292802e+00 -4.026292802e+00 2.96 -3.952140262e+00 -3.952140262e+00 2.98 -3.871979330e+00 -3.871979330e+00 3.00 -3.787092361e+00 -3.787092361e+00 3.02 -3.698751635e+00 -3.698751635e+00 3.04 -3.608174118e+00 -3.608174118e+00 3.06 -3.516475674e+00 -3.516475674e+00 3.08 -3.424629062e+00 -3.424629062e+00 3.10 -3.333490285e+00 -3.333490285e+00 3.12 -3.243726053e+00 -3.243726053e+00 3.14 -3.155612373e+00 -3.155612373e+00 3.16 -3.069255945e+00 -3.069255945e+00 3.18 -2.984623983e+00 -2.984623983e+00 3.20 -2.901570732e+00 -2.901570732e+00 3.22 -2.819867979e+00 -2.819867979e+00 3.24 -2.739242211e+00 -2.739242211e+00 3.26 -2.659414556e+00 -2.659414556e+00 3.28 -2.580110996e+00 -2.580110996e+00 3.30 -2.501081504e+00 -2.501081504e+00 3.32 -2.422118372e+00 -2.422118372e+00 3.34 -2.343070725e+00 -2.343070725e+00 3.36 -2.263855482e+00 -2.263855482e+00 3.38 -2.184476240e+00 -2.184476240e+00 3.40 -2.105034727e+00 -2.105034727e+00 3.42 -2.025574040e+00 -2.025574040e+00 3.44 -1.946217073e+00 -1.946217073e+00 3.46 -1.867170633e+00 -1.867170633e+00 3.48 -1.788505884e+00 -1.788505884e+00 3.50 -1.710239267e+00 -1.710239267e+00 3.52 -1.632545417e+00 -1.632545417e+00 3.54 -1.555730155e+00 -1.555730155e+00 3.56 -1.480187793e+00 -1.480187793e+00 3.58 -1.406355772e+00 -1.406355772e+00 3.60 -1.334671666e+00 -1.334671666e+00 3.62 -1.265536756e+00 -1.265536756e+00 3.64 -1.199288933e+00 -1.199288933e+00 3.66 -1.136185978e+00 -1.136185978e+00 3.68 -1.076398784e+00 -1.076398784e+00 3.70 -1.020012915e+00 -1.020012915e+00 3.72 -9.670363738e-01 -9.670363738e-01 3.74 -9.174112574e-01 -9.174112574e-01 3.76 -8.710272604e-01 -8.710272604e-01 3.78 -8.277353533e-01 -8.277353533e-01 3.80 -7.873604749e-01 -7.873604749e-01 3.82 -7.497125186e-01 -7.497125186e-01 3.84 -7.145952761e-01 -7.145952761e-01 3.86 -6.818132902e-01 -6.818132902e-01 3.88 -6.511767671e-01 -6.511767671e-01 3.90 -6.225048269e-01 -6.225048269e-01 3.92 -5.956273222e-01 -5.956273222e-01 3.94 -5.703862330e-01 -5.703862330e-01 3.96 -5.466352315e-01 -5.466352315e-01 3.98 -5.242400462e-01 -5.242400462e-01 4.00 -5.030779460e-01 -5.030779460e-01 4.02 -4.830372336e-01 -4.830372336e-01 4.04 -4.640166797e-01 -4.640166797e-01 4.06 -4.459249328e-01 -4.459249328e-01 4.08 -4.286799283e-01 -4.286799283e-01 4.10 -4.122079211e-01 -4.122079211e-01 4.12 -3.964445840e-01 -3.964445840e-01 4.14 -3.813318983e-01 -3.813318983e-01 4.16 -3.668195337e-01 -3.668195337e-01 4.18 -3.528639356e-01 -3.528639356e-01 4.20 -3.394279311e-01 -3.394279311e-01 4.22 -3.264803362e-01 -3.264803362e-01 4.24 -3.139955332e-01 -3.139955332e-01 4.26 -3.019529826e-01 -3.019529826e-01 4.28 -2.903366412e-01 -2.903366412e-01 4.30 -2.791342650e-01 -2.791342650e-01 4.32 -2.683365999e-01 -2.683365999e-01 4.34 -2.579364840e-01 -2.579364840e-01 4.36 -2.479279093e-01 -2.479279093e-01 4.38 -2.383051090e-01 -2.383051090e-01 4.40 -2.290617233e-01 -2.290617233e-01 4.42 -2.201901554e-01 -2.201901554e-01 4.44 -2.116811221e-01 -2.116811221e-01 4.46 -2.035234284e-01 -2.035234284e-01 4.48 -1.957032327e-01 -1.957032327e-01 4.50 -1.882056269e-01 -1.882056269e-01 4.52 -1.810149613e-01 -1.810149613e-01 4.54 -1.741142075e-01 -1.741142075e-01 4.56 -1.674854720e-01 -1.674854720e-01 4.58 -1.611104703e-01 -1.611104703e-01 4.60 -1.549709383e-01 -1.549709383e-01 4.62 -1.490489695e-01 -1.490489695e-01 4.64 -1.433272810e-01 -1.433272810e-01 4.66 -1.377894184e-01 -1.377894184e-01 4.68 -1.324199125e-01 -1.324199125e-01 4.70 -1.272044039e-01 -1.272044039e-01 4.72 -1.221297483e-01 -1.221297483e-01 4.74 -1.171841150e-01 -1.171841150e-01 4.76 -1.123570869e-01 -1.123570869e-01 4.78 -1.076397642e-01 -1.076397642e-01 4.80 -1.030246668e-01 -1.030246668e-01 4.82 -9.850670432e-02 -9.850670432e-02 4.84 -9.408191106e-02 -9.408191106e-02 4.86 -8.974845387e-02 -8.974845387e-02 4.88 -8.550646454e-02 -8.550646454e-02 4.90 -8.135798425e-02 -8.135798425e-02 4.92 -7.730685651e-02 -7.730685651e-02 4.94 -7.335853725e-02 -7.335853725e-02 4.96 -6.951981244e-02 -6.951981244e-02 4.98 -6.579842732e-02 -6.579842732e-02 5.00 -6.220264257e-02 -6.220264257e-02 5.02 -5.874074335e-02 -5.874074335e-02 5.04 -5.542053525e-02 -5.542053525e-02 5.06 -5.224886584e-02 -5.224886584e-02 5.08 -4.923120961e-02 -4.923120961e-02 5.10 -4.637134818e-02 -4.637134818e-02 5.12 -4.367116733e-02 -4.367116733e-02 5.14 -4.113057941e-02 -4.113057941e-02 5.16 -3.874756708e-02 -3.874756708e-02 5.18 -3.651833254e-02 -3.651833254e-02 5.20 -3.443752818e-02 -3.443752818e-02 5.22 -3.249854232e-02 -3.249854232e-02 5.24 -3.069381150e-02 -3.069381150e-02 5.26 -2.901513454e-02 -2.901513454e-02 5.28 -2.745396871e-02 -2.745396871e-02 5.30 -2.600169351e-02 -2.600169351e-02 5.32 -2.464983335e-02 -2.464983335e-02 5.34 -2.339023523e-02 -2.339023523e-02 5.36 -2.221520102e-02 -2.221520102e-02 5.38 -2.111757684e-02 -2.111757684e-02 5.40 -2.009080368e-02 -2.009080368e-02 5.42 -1.912891074e-02 -1.912891074e-02 5.44 -1.822650650e-02 -1.822650650e-02 5.46 -1.737883239e-02 -1.737883239e-02 5.48 -1.658164598e-02 -1.658164598e-02 5.50 -1.583116013e-02 -1.583116013e-02 5.52 -1.512398037e-02 -1.512398037e-02 5.54 -1.445704234e-02 -1.445704234e-02 5.56 -1.382755348e-02 -1.382755348e-02 5.58 -1.323294213e-02 -1.323294213e-02 5.60 -1.267081571e-02 -1.267081571e-02 5.62 -1.213892873e-02 -1.213892873e-02 5.64 -1.163516001e-02 -1.163516001e-02 5.66 -1.115749804e-02 -1.115749804e-02 5.68 -1.070403247e-02 -1.070403247e-02 5.70 -1.027295004e-02 -1.027295004e-02 5.72 -9.862533191e-03 -9.862533191e-03 5.74 -9.471159721e-03 -9.471159721e-03 5.76 -9.097302587e-03 -9.097302587e-03 5.78 -8.739529094e-03 -8.739529094e-03 5.80 -8.396499163e-03 -8.396499163e-03 5.82 -8.066962621e-03 -8.066962621e-03 5.84 -7.749755682e-03 -7.749755682e-03 5.86 -7.443796864e-03 -7.443796864e-03 5.88 -7.148082677e-03 -7.148082677e-03 5.90 -6.861683420e-03 -6.861683420e-03 5.92 -6.583739396e-03 -6.583739396e-03 5.94 -6.313457825e-03 -6.313457825e-03 5.96 -6.050110691e-03 -6.050110691e-03 5.98 -5.793033684e-03 -5.793033684e-03 6.00 -5.541626350e-03 -5.541626350e-03