# 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 = AgCuFe2 # 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 1.849047836e+02 1.849047836e+02 1.30 1.693401114e+02 1.693401114e+02 1.32 1.550563232e+02 1.550563232e+02 1.34 1.419375165e+02 1.419375165e+02 1.36 1.298815133e+02 1.298815133e+02 1.38 1.187988359e+02 1.187988359e+02 1.40 1.086104236e+02 1.086104236e+02 1.42 9.924525754e+01 9.924525754e+01 1.44 9.063850368e+01 9.063850368e+01 1.46 8.273030852e+01 8.273030852e+01 1.48 7.546522718e+01 7.546522718e+01 1.50 6.879208876e+01 6.879208876e+01 1.52 6.266390596e+01 6.266390596e+01 1.54 5.703750304e+01 5.703750304e+01 1.56 5.187291419e+01 5.187291419e+01 1.58 4.713281709e+01 4.713281709e+01 1.60 4.278232910e+01 4.278232910e+01 1.62 3.878999833e+01 3.878999833e+01 1.64 3.512783701e+01 3.512783701e+01 1.66 3.176882804e+01 3.176882804e+01 1.68 2.868803718e+01 2.868803718e+01 1.70 2.586239145e+01 2.586239145e+01 1.72 2.327047722e+01 2.327047722e+01 1.74 2.089243730e+01 2.089243730e+01 1.76 1.870997678e+01 1.870997678e+01 1.78 1.670645026e+01 1.670645026e+01 1.80 1.486694634e+01 1.486694634e+01 1.82 1.317826782e+01 1.317826782e+01 1.84 1.162875771e+01 1.162875771e+01 1.86 1.020800728e+01 1.020800728e+01 1.88 8.906533241e+00 8.906533241e+00 1.90 7.715501414e+00 7.715501414e+00 1.92 6.626533860e+00 6.626533860e+00 1.94 5.631605655e+00 5.631605655e+00 1.96 4.723021210e+00 4.723021210e+00 1.98 3.893449853e+00 3.893449853e+00 2.00 3.135994631e+00 3.135994631e+00 2.02 2.444269372e+00 2.444269372e+00 2.04 1.812463185e+00 1.812463185e+00 2.06 1.235374955e+00 1.235374955e+00 2.08 7.084065081e-01 7.084065081e-01 2.10 2.275144727e-01 2.275144727e-01 2.12 -2.108674332e-01 -2.108674332e-01 2.14 -6.099180819e-01 -6.099180819e-01 2.16 -9.725142975e-01 -9.725142975e-01 2.18 -1.301301284e+00 -1.301301284e+00 2.20 -1.598744105e+00 -1.598744105e+00 2.22 -1.867161528e+00 -1.867161528e+00 2.24 -2.108746590e+00 -2.108746590e+00 2.26 -2.325578906e+00 -2.325578906e+00 2.28 -2.519631953e+00 -2.519631953e+00 2.30 -2.692775211e+00 -2.692775211e+00 2.32 -2.846768643e+00 -2.846768643e+00 2.34 -2.983248204e+00 -2.983248204e+00 2.36 -3.103706474e+00 -3.103706474e+00 2.38 -3.209477497e+00 -3.209477497e+00 2.40 -3.301734812e+00 -3.301734812e+00 2.42 -3.381505816e+00 -3.381505816e+00 2.44 -3.449698414e+00 -3.449698414e+00 2.46 -3.507136126e+00 -3.507136126e+00 2.48 -3.554665718e+00 -3.554665718e+00 2.50 -3.593189887e+00 -3.593189887e+00 2.52 -3.623100933e+00 -3.623100933e+00 2.54 -3.644800249e+00 -3.644800249e+00 2.56 -3.658740681e+00 -3.658740681e+00 2.58 -3.665413456e+00 -3.665413456e+00 2.60 -3.665332504e+00 -3.665332504e+00 2.62 -3.658875602e+00 -3.658875602e+00 2.64 -3.646333920e+00 -3.646333920e+00 2.66 -3.627909344e+00 -3.627909344e+00 2.68 -3.603738889e+00 -3.603738889e+00 2.70 -3.574020788e+00 -3.574020788e+00 2.72 -3.539000359e+00 -3.539000359e+00 2.74 -3.498958836e+00 -3.498958836e+00 2.76 -3.454204279e+00 -3.454204279e+00 2.78 -3.405067263e+00 -3.405067263e+00 2.80 -3.351903084e+00 -3.351903084e+00 2.82 -3.295078441e+00 -3.295078441e+00 2.84 -3.234966806e+00 -3.234966806e+00 2.86 -3.171945738e+00 -3.171945738e+00 2.88 -3.106391773e+00 -3.106391773e+00 2.90 -3.038672661e+00 -3.038672661e+00 2.92 -2.969138031e+00 -2.969138031e+00 2.94 -2.898110342e+00 -2.898110342e+00 2.96 -2.825878029e+00 -2.825878029e+00 2.98 -2.752692089e+00 -2.752692089e+00 3.00 -2.678766406e+00 -2.678766406e+00 3.02 -2.604281228e+00 -2.604281228e+00 3.04 -2.529388662e+00 -2.529388662e+00 3.06 -2.454219003e+00 -2.454219003e+00 3.08 -2.378887028e+00 -2.378887028e+00 3.10 -2.303497985e+00 -2.303497985e+00 3.12 -2.228153485e+00 -2.228153485e+00 3.14 -2.152957723e+00 -2.152957723e+00 3.16 -2.078024251e+00 -2.078024251e+00 3.18 -2.003483030e+00 -2.003483030e+00 3.20 -1.929486880e+00 -1.929486880e+00 3.22 -1.856216095e+00 -1.856216095e+00 3.24 -1.783879917e+00 -1.783879917e+00 3.26 -1.712713947e+00 -1.712713947e+00 3.28 -1.642973167e+00 -1.642973167e+00 3.30 -1.574921052e+00 -1.574921052e+00 3.32 -1.508815976e+00 -1.508815976e+00 3.34 -1.444896609e+00 -1.444896609e+00 3.36 -1.383368244e+00 -1.383368244e+00 3.38 -1.324391749e+00 -1.324391749e+00 3.40 -1.268076399e+00 -1.268076399e+00 3.42 -1.214477112e+00 -1.214477112e+00 3.44 -1.163595935e+00 -1.163595935e+00 3.46 -1.115387073e+00 -1.115387073e+00 3.48 -1.069764371e+00 -1.069764371e+00 3.50 -1.026610130e+00 -1.026610130e+00 3.52 -9.857841799e-01 -9.857841799e-01 3.54 -9.471324171e-01 -9.471324171e-01 3.56 -9.104942757e-01 -9.104942757e-01 3.58 -8.757088725e-01 -8.757088725e-01 3.60 -8.426197930e-01 -8.426197930e-01 3.62 -8.110786263e-01 -8.110786263e-01 3.64 -7.809474484e-01 -7.809474484e-01 3.66 -7.521004775e-01 -7.521004775e-01 3.68 -7.244251130e-01 -7.244251130e-01 3.70 -6.978225232e-01 -6.978225232e-01 3.72 -6.722078888e-01 -6.722078888e-01 3.74 -6.475103403e-01 -6.475103403e-01 3.76 -6.236725650e-01 -6.236725650e-01 3.78 -6.006500202e-01 -6.006500202e-01 3.80 -5.784096774e-01 -5.784096774e-01 3.82 -5.569282512e-01 -5.569282512e-01 3.84 -5.361899395e-01 -5.361899395e-01 3.86 -5.161837934e-01 -5.161837934e-01 3.88 -4.969009342e-01 -4.969009342e-01 3.90 -4.783318927e-01 -4.783318927e-01 3.92 -4.604643557e-01 -4.604643557e-01 3.94 -4.432815449e-01 -4.432815449e-01 3.96 -4.267613410e-01 -4.267613410e-01 3.98 -4.108761525e-01 -4.108761525e-01 4.00 -3.955934050e-01 -3.955934050e-01 4.02 -3.808764776e-01 -3.808764776e-01 4.04 -3.666858852e-01 -3.666858852e-01 4.06 -3.529803354e-01 -3.529803354e-01 4.08 -3.397181773e-01 -3.397181773e-01 4.10 -3.268588473e-01 -3.268588473e-01 4.12 -3.143631647e-01 -3.143631647e-01 4.14 -3.021941729e-01 -3.021941729e-01 4.16 -2.903178636e-01 -2.903178636e-01 4.18 -2.787037951e-01 -2.787037951e-01 4.20 -2.673256489e-01 -2.673256489e-01 4.22 -2.561617461e-01 -2.561617461e-01 4.24 -2.451955230e-01 -2.451955230e-01 4.26 -2.344159478e-01 -2.344159478e-01 4.28 -2.238178422e-01 -2.238178422e-01 4.30 -2.134020594e-01 -2.134020594e-01 4.32 -2.031754630e-01 -2.031754630e-01 4.34 -1.931506571e-01 -1.931506571e-01 4.36 -1.833454238e-01 -1.833454238e-01 4.38 -1.737818482e-01 -1.737818482e-01 4.40 -1.644851379e-01 -1.644851379e-01 4.42 -1.554821767e-01 -1.554821767e-01 4.44 -1.467998932e-01 -1.467998932e-01 4.46 -1.384635207e-01 -1.384635207e-01 4.48 -1.304948711e-01 -1.304948711e-01 4.50 -1.229112615e-01 -1.229112615e-01 4.52 -1.157241498e-01 -1.157241498e-01 4.54 -1.089384282e-01 -1.089384282e-01 4.56 -1.025522339e-01 -1.025522339e-01 4.58 -9.655721058e-02 -9.655721058e-02 4.60 -9.093915801e-02 -9.093915801e-02 4.62 -8.567896794e-02 -8.567896794e-02 4.64 -8.075373395e-02 -8.075373395e-02 4.66 -7.613792345e-02 -7.613792345e-02 4.68 -7.180451891e-02 -7.180451891e-02 4.70 -6.772606080e-02 -6.772606080e-02 4.72 -6.387555173e-02 -6.387555173e-02 4.74 -6.022720540e-02 -6.022720540e-02 4.76 -5.675704192e-02 -5.675704192e-02 4.78 -5.344334244e-02 -5.344334244e-02 4.80 -5.026698052e-02 -5.026698052e-02 4.82 -4.721165126e-02 -4.721165126e-02 4.84 -4.426400337e-02 -4.426400337e-02 4.86 -4.141369525e-02 -4.141369525e-02 4.88 -3.865336842e-02 -3.865336842e-02 4.90 -3.597854092e-02 -3.597854092e-02 4.92 -3.338741634e-02 -3.338741634e-02 4.94 -3.088060646e-02 -3.088060646e-02 4.96 -2.846076495e-02 -2.846076495e-02 4.98 -2.613214536e-02 -2.613214536e-02 5.00 -2.390009792e-02 -2.390009792e-02 5.02 -2.177052915e-02 -2.177052915e-02 5.04 -1.974935734e-02 -1.974935734e-02 5.06 -1.784199975e-02 -1.784199975e-02 5.08 -1.605283676e-02 -1.605283676e-02 5.10 -1.438458987e-02 -1.438458987e-02 5.12 -1.283910705e-02 -1.283910705e-02 5.14 -1.141661832e-02 -1.141661832e-02 5.16 -1.011562507e-02 -1.011562507e-02 5.18 -8.933021932e-03 -8.933021932e-03 5.20 -7.864298011e-03 -7.864298011e-03 5.22 -6.903789995e-03 -6.903789995e-03 5.24 -6.044960279e-03 -6.044960279e-03 5.26 -5.280676361e-03 -5.280676361e-03 5.28 -4.603472898e-03 -4.603472898e-03 5.30 -4.005783530e-03 -4.005783530e-03 5.32 -3.480135091e-03 -3.480135091e-03 5.34 -3.019301563e-03 -3.019301563e-03 5.36 -2.616418718e-03 -2.616418718e-03 5.38 -2.265062885e-03 -2.265062885e-03 5.40 -1.959298708e-03 -1.959298708e-03 5.42 -1.693701343e-03 -1.693701343e-03 5.44 -1.463358553e-03 -1.463358553e-03 5.46 -1.263857742e-03 -1.263857742e-03 5.48 -1.091262303e-03 -1.091262303e-03 5.50 -9.420809809e-04 -9.420809809e-04 5.52 -8.132331684e-04 -8.132331684e-04 5.54 -7.020124157e-04 -7.020124157e-04 5.56 -6.060498314e-04 -6.060498314e-04 5.58 -5.232785640e-04 -5.232785640e-04 5.60 -4.519001627e-04 -4.519001627e-04 5.62 -3.903533033e-04 -3.903533033e-04 5.64 -3.372851345e-04 -3.372851345e-04 5.66 -2.915253318e-04 -2.915253318e-04 5.68 -2.520628240e-04 -2.520628240e-04 5.70 -2.180250804e-04 -2.180250804e-04 5.72 -1.886597942e-04 -1.886597942e-04 5.74 -1.633187735e-04 -1.633187735e-04 5.76 -1.414438343e-04 -1.414438343e-04 5.78 -1.225544958e-04 -1.225544958e-04 5.80 -1.062372785e-04 -1.062372785e-04 5.82 -9.213642300e-05 -9.213642300e-05 5.84 -7.994585629e-05 -7.994585629e-05 5.86 -6.940225208e-05 -6.940225208e-05 5.88 -6.027904400e-05 -6.027904400e-05 5.90 -5.238126764e-05 -5.238126764e-05 5.92 -4.554112101e-05 -4.554112101e-05 5.94 -3.961414616e-05 -3.961414616e-05 5.96 -3.447594730e-05 -3.447594730e-05 5.98 -3.001937122e-05 -3.001937122e-05 6.00 -2.615208576e-05 -2.615208576e-05