# 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 = AgCoCu2 # 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 1.390601231e+02 1.390601231e+02 1.30 1.278839033e+02 1.278839033e+02 1.32 1.175880487e+02 1.175880487e+02 1.34 1.080983758e+02 1.080983758e+02 1.36 9.934810513e+01 9.934810513e+01 1.38 9.127735155e+01 9.127735155e+01 1.40 8.383205334e+01 8.383205334e+01 1.42 7.696295964e+01 7.696295964e+01 1.44 7.062456737e+01 7.062456737e+01 1.46 6.477423321e+01 6.477423321e+01 1.48 5.937199767e+01 5.937199767e+01 1.50 5.438107567e+01 5.438107567e+01 1.52 4.976829264e+01 4.976829264e+01 1.54 4.550391322e+01 4.550391322e+01 1.56 4.156109987e+01 4.156109987e+01 1.58 3.791701451e+01 3.791701451e+01 1.60 3.454982002e+01 3.454982002e+01 1.62 3.143871073e+01 3.143871073e+01 1.64 2.856499484e+01 2.856499484e+01 1.66 2.591165413e+01 2.591165413e+01 1.68 2.346291890e+01 2.346291890e+01 1.70 2.120395329e+01 2.120395329e+01 1.72 1.912066050e+01 1.912066050e+01 1.74 1.719958200e+01 1.719958200e+01 1.76 1.542792682e+01 1.542792682e+01 1.78 1.379373703e+01 1.379373703e+01 1.80 1.228609541e+01 1.228609541e+01 1.82 1.089524079e+01 1.089524079e+01 1.84 9.612516540e+00 9.612516540e+00 1.86 8.430179627e+00 8.430179627e+00 1.88 7.341158560e+00 7.341158560e+00 1.90 6.338842071e+00 6.338842071e+00 1.92 5.416944817e+00 5.416944817e+00 1.94 4.569465032e+00 4.569465032e+00 1.96 3.790721795e+00 3.790721795e+00 1.98 3.075433908e+00 3.075433908e+00 2.00 2.418791650e+00 2.418791650e+00 2.02 1.816483582e+00 1.816483582e+00 2.04 1.264663778e+00 1.264663778e+00 2.06 7.598710137e-01 7.598710137e-01 2.08 2.989305111e-01 2.989305111e-01 2.10 -1.211303537e-01 -1.211303537e-01 2.12 -5.031362309e-01 -5.031362309e-01 2.14 -8.497887400e-01 -8.497887400e-01 2.16 -1.163671749e+00 -1.163671749e+00 2.18 -1.447247175e+00 -1.447247175e+00 2.20 -1.702848764e+00 -1.702848764e+00 2.22 -1.932678412e+00 -1.932678412e+00 2.24 -2.138807590e+00 -2.138807590e+00 2.26 -2.323185239e+00 -2.323185239e+00 2.28 -2.487651443e+00 -2.487651443e+00 2.30 -2.633951396e+00 -2.633951396e+00 2.32 -2.763739468e+00 -2.763739468e+00 2.34 -2.878590234e+00 -2.878590234e+00 2.36 -2.979940926e+00 -2.979940926e+00 2.38 -3.068977921e+00 -3.068977921e+00 2.40 -3.146721986e+00 -3.146721986e+00 2.42 -3.214039230e+00 -3.214039230e+00 2.44 -3.271669511e+00 -3.271669511e+00 2.46 -3.320264623e+00 -3.320264623e+00 2.48 -3.360423038e+00 -3.360423038e+00 2.50 -3.392730007e+00 -3.392730007e+00 2.52 -3.418124868e+00 -3.418124868e+00 2.54 -3.436759721e+00 -3.436759721e+00 2.56 -3.448667452e+00 -3.448667452e+00 2.58 -3.453990709e+00 -3.453990709e+00 2.60 -3.452964874e+00 -3.452964874e+00 2.62 -3.445899835e+00 -3.445899835e+00 2.64 -3.433199165e+00 -3.433199165e+00 2.66 -3.415345763e+00 -3.415345763e+00 2.68 -3.392737022e+00 -3.392737022e+00 2.70 -3.365793408e+00 -3.365793408e+00 2.72 -3.334941013e+00 -3.334941013e+00 2.74 -3.300599486e+00 -3.300599486e+00 2.76 -3.263167393e+00 -3.263167393e+00 2.78 -3.223006861e+00 -3.223006861e+00 2.80 -3.180432383e+00 -3.180432383e+00 2.82 -3.135711507e+00 -3.135711507e+00 2.84 -3.089063967e+00 -3.089063967e+00 2.86 -3.040667502e+00 -3.040667502e+00 2.88 -2.990671381e+00 -2.990671381e+00 2.90 -2.939210284e+00 -2.939210284e+00 2.92 -2.886416420e+00 -2.886416420e+00 2.94 -2.832428970e+00 -2.832428970e+00 2.96 -2.777400667e+00 -2.777400667e+00 2.98 -2.721501609e+00 -2.721501609e+00 3.00 -2.664920203e+00 -2.664920203e+00 3.02 -2.607860919e+00 -2.607860919e+00 3.04 -2.550538577e+00 -2.550538577e+00 3.06 -2.493169413e+00 -2.493169413e+00 3.08 -2.435960060e+00 -2.435960060e+00 3.10 -2.379096447e+00 -2.379096447e+00 3.12 -2.322734791e+00 -2.322734791e+00 3.14 -2.266996327e+00 -2.266996327e+00 3.16 -2.211966322e+00 -2.211966322e+00 3.18 -2.157696837e+00 -2.157696837e+00 3.20 -2.104212058e+00 -2.104212058e+00 3.22 -2.051514860e+00 -2.051514860e+00 3.24 -1.999593526e+00 -1.999593526e+00 3.26 -1.948427905e+00 -1.948427905e+00 3.28 -1.897994624e+00 -1.897994624e+00 3.30 -1.848271216e+00 -1.848271216e+00 3.32 -1.799239162e+00 -1.799239162e+00 3.34 -1.750885872e+00 -1.750885872e+00 3.36 -1.703205695e+00 -1.703205695e+00 3.38 -1.656200046e+00 -1.656200046e+00 3.40 -1.609876783e+00 -1.609876783e+00 3.42 -1.564248993e+00 -1.564248993e+00 3.44 -1.519333373e+00 -1.519333373e+00 3.46 -1.475148414e+00 -1.475148414e+00 3.48 -1.431712568e+00 -1.431712568e+00 3.50 -1.389042568e+00 -1.389042568e+00 3.52 -1.347152020e+00 -1.347152020e+00 3.54 -1.306050355e+00 -1.306050355e+00 3.56 -1.265742193e+00 -1.265742193e+00 3.58 -1.226227132e+00 -1.226227132e+00 3.60 -1.187499965e+00 -1.187499965e+00 3.62 -1.149551324e+00 -1.149551324e+00 3.64 -1.112368714e+00 -1.112368714e+00 3.66 -1.075937909e+00 -1.075937909e+00 3.68 -1.040244654e+00 -1.040244654e+00 3.70 -1.005276559e+00 -1.005276559e+00 3.72 -9.710250559e-01 -9.710250559e-01 3.74 -9.374872112e-01 -9.374872112e-01 3.76 -9.046671454e-01 -9.046671454e-01 3.78 -8.725768030e-01 -8.725768030e-01 3.80 -8.412358261e-01 -8.412358261e-01 3.82 -8.106703823e-01 -8.106703823e-01 3.84 -7.809109403e-01 -7.809109403e-01 3.86 -7.519891763e-01 -7.519891763e-01 3.88 -7.239343728e-01 -7.239343728e-01 3.90 -6.967697969e-01 -6.967697969e-01 3.92 -6.705095648e-01 -6.705095648e-01 3.94 -6.451564146e-01 -6.451564146e-01 3.96 -6.207006190e-01 -6.207006190e-01 3.98 -5.971200745e-01 -5.971200745e-01 4.00 -5.743813987e-01 -5.743813987e-01 4.02 -5.524417591e-01 -5.524417591e-01 4.04 -5.312511144e-01 -5.312511144e-01 4.06 -5.107545832e-01 -5.107545832e-01 4.08 -4.908947331e-01 -4.908947331e-01 4.10 -4.716136659e-01 -4.716136659e-01 4.12 -4.528548669e-01 -4.528548669e-01 4.14 -4.345648097e-01 -4.345648097e-01 4.16 -4.166943797e-01 -4.166943797e-01 4.18 -3.992001365e-01 -3.992001365e-01 4.20 -3.820454427e-01 -3.820454427e-01 4.22 -3.652014526e-01 -3.652014526e-01 4.24 -3.486479237e-01 -3.486479237e-01 4.26 -3.323737963e-01 -3.323737963e-01 4.28 -3.163774759e-01 -3.163774759e-01 4.30 -3.006667641e-01 -3.006667641e-01 4.32 -2.852584039e-01 -2.852584039e-01 4.34 -2.701772283e-01 -2.701772283e-01 4.36 -2.554549295e-01 -2.554549295e-01 4.38 -2.411284783e-01 -2.411284783e-01 4.40 -2.272382374e-01 -2.272382374e-01 4.42 -2.138258269e-01 -2.138258269e-01 4.44 -2.009318260e-01 -2.009318260e-01 4.46 -1.885934271e-01 -1.885934271e-01 4.48 -1.768421969e-01 -1.768421969e-01 4.50 -1.657021207e-01 -1.657021207e-01 4.52 -1.551881049e-01 -1.551881049e-01 4.54 -1.453050740e-01 -1.453050740e-01 4.56 -1.360477336e-01 -1.360477336e-01 4.58 -1.274009917e-01 -1.274009917e-01 4.60 -1.193409549e-01 -1.193409549e-01 4.62 -1.118363569e-01 -1.118363569e-01 4.64 -1.048502549e-01 -1.048502549e-01 4.66 -9.834182165e-02 -9.834182165e-02 4.68 -9.226810191e-02 -9.226810191e-02 4.70 -8.658562326e-02 -8.658562326e-02 4.72 -8.125164159e-02 -8.125164159e-02 4.74 -7.622531292e-02 -7.622531292e-02 4.76 -7.146943998e-02 -7.146943998e-02 4.78 -6.695047107e-02 -6.695047107e-02 4.80 -6.263897107e-02 -6.263897107e-02 4.82 -5.851006871e-02 -5.851006871e-02 4.84 -5.454371188e-02 -5.454371188e-02 4.86 -5.072475891e-02 -5.072475891e-02 4.88 -4.704289717e-02 -4.704289717e-02 4.90 -4.349238867e-02 -4.349238867e-02 4.92 -4.007163767e-02 -4.007163767e-02 4.94 -3.678258431e-02 -3.678258431e-02 4.96 -3.362994374e-02 -3.362994374e-02 4.98 -3.062032858e-02 -3.062032858e-02 5.00 -2.776131107e-02 -2.776131107e-02 5.02 -2.506049328e-02 -2.506049328e-02 5.04 -2.252465715e-02 -2.252465715e-02 5.06 -2.015905643e-02 -2.015905643e-02 5.08 -1.796690023e-02 -1.796690023e-02 5.10 -1.594904799e-02 -1.594904799e-02 5.12 -1.410391462e-02 -1.410391462e-02 5.14 -1.242752536e-02 -1.242752536e-02 5.16 -1.091355776e-02 -1.091355776e-02 5.18 -9.554331178e-03 -9.554331178e-03 5.20 -8.340814070e-03 -8.340814070e-03 5.22 -7.262945946e-03 -7.262945946e-03 5.24 -6.310056356e-03 -6.310056356e-03 5.26 -5.471237787e-03 -5.471237787e-03 5.28 -4.735659055e-03 -4.735659055e-03 5.30 -4.092814202e-03 -4.092814202e-03 5.32 -3.532708190e-03 -3.532708190e-03 5.34 -3.045984896e-03 -3.045984896e-03 5.36 -2.624005329e-03 -2.624005329e-03 5.38 -2.258884942e-03 -2.258884942e-03 5.40 -1.943498890e-03 -1.943498890e-03 5.42 -1.671463358e-03 -1.671463358e-03 5.44 -1.437100049e-03 -1.437100049e-03 5.46 -1.235389705e-03 -1.235389705e-03 5.48 -1.061919331e-03 -1.061919331e-03 5.50 -9.128267358e-04 -9.128267358e-04 5.52 -7.847450002e-04 -7.847450002e-04 5.54 -6.747487488e-04 -6.747487488e-04 5.56 -5.803034310e-04 -5.803034310e-04 5.58 -4.992183494e-04 -4.992183494e-04 5.60 -4.296038040e-04 -4.296038040e-04 5.62 -3.698324544e-04 -3.698324544e-04 5.64 -3.185048223e-04 -3.185048223e-04 5.66 -2.744187326e-04 -2.744187326e-04 5.68 -2.365424227e-04 -2.365424227e-04 5.70 -2.039910061e-04 -2.039910061e-04 5.72 -1.760059672e-04 -1.760059672e-04 5.74 -1.519373620e-04 -1.519373620e-04 5.76 -1.312284180e-04 -1.312284180e-04 5.78 -1.134022442e-04 -1.134022442e-04 5.80 -9.805038681e-05 -9.805038681e-05 5.82 -8.482299210e-05 -8.482299210e-05 5.84 -7.342036344e-05 -7.342036344e-05 5.86 -6.358572296e-05 -6.358572296e-05 5.88 -5.509901235e-05 -5.509901235e-05 5.90 -4.777158735e-05 -4.777158735e-05 5.92 -4.144167964e-05 -4.144167964e-05 5.94 -3.597051685e-05 -3.597051685e-05 5.96 -3.123900610e-05 -3.123900610e-05 5.98 -2.714489970e-05 -2.714489970e-05 6.00 -2.360037312e-05 -2.360037312e-05