# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPdPt2 # 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 2022-05-24 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 1.033680267e+03 1.033680267e+03 0.98 9.442117789e+02 9.442117789e+02 1.00 8.631723951e+02 8.631723951e+02 1.02 7.896927095e+02 7.896927095e+02 1.04 7.230054447e+02 7.230054447e+02 1.06 6.624263413e+02 6.624263413e+02 1.08 6.073445114e+02 6.073445114e+02 1.10 5.572213147e+02 5.572213147e+02 1.12 5.115679936e+02 5.115679936e+02 1.14 4.699497166e+02 4.699497166e+02 1.16 4.319823396e+02 4.319823396e+02 1.18 3.973180232e+02 3.973180232e+02 1.20 3.656425192e+02 3.656425192e+02 1.22 3.366730338e+02 3.366730338e+02 1.24 3.101595109e+02 3.101595109e+02 1.26 2.858740057e+02 2.858740057e+02 1.28 2.636112796e+02 2.636112796e+02 1.30 2.431847910e+02 2.431847910e+02 1.32 2.244286851e+02 2.244286851e+02 1.34 2.071923601e+02 2.071923601e+02 1.36 1.913408005e+02 1.913408005e+02 1.38 1.767509759e+02 1.767509759e+02 1.40 1.633110777e+02 1.633110777e+02 1.42 1.509205832e+02 1.509205832e+02 1.44 1.394888150e+02 1.394888150e+02 1.46 1.289331096e+02 1.289331096e+02 1.48 1.191783024e+02 1.191783024e+02 1.50 1.101566563e+02 1.101566563e+02 1.52 1.018070008e+02 1.018070008e+02 1.54 9.407305849e+01 9.407305849e+01 1.56 8.690357348e+01 8.690357348e+01 1.58 8.025276685e+01 8.025276685e+01 1.60 7.407953794e+01 7.407953794e+01 1.62 6.834603989e+01 6.834603989e+01 1.64 6.301704774e+01 6.301704774e+01 1.66 5.806082268e+01 5.806082268e+01 1.68 5.344847430e+01 5.344847430e+01 1.70 4.915347313e+01 4.915347313e+01 1.72 4.515100292e+01 4.515100292e+01 1.74 4.142006435e+01 4.142006435e+01 1.76 3.794045482e+01 3.794045482e+01 1.78 3.469314608e+01 3.469314608e+01 1.80 3.166150338e+01 3.166150338e+01 1.82 2.883022844e+01 2.883022844e+01 1.84 2.619028991e+01 2.619028991e+01 1.86 2.373010874e+01 2.373010874e+01 1.88 2.144151650e+01 2.144151650e+01 1.90 1.928881994e+01 1.928881994e+01 1.92 1.729095422e+01 1.729095422e+01 1.94 1.542188347e+01 1.542188347e+01 1.96 1.367514979e+01 1.367514979e+01 1.98 1.204464826e+01 1.204464826e+01 2.00 1.052451914e+01 1.052451914e+01 2.02 9.109133001e+00 9.109133001e+00 2.04 7.793079521e+00 7.793079521e+00 2.06 6.570931409e+00 6.570931409e+00 2.08 5.437512811e+00 5.437512811e+00 2.10 4.388282279e+00 4.388282279e+00 2.12 3.418393440e+00 3.418393440e+00 2.14 2.523826004e+00 2.523826004e+00 2.16 1.700861721e+00 1.700861721e+00 2.18 9.448241004e-01 9.448241004e-01 2.20 2.518430134e-01 2.518430134e-01 2.22 -3.817866896e-01 -3.817866896e-01 2.24 -9.596095762e-01 -9.596095762e-01 2.26 -1.484680846e+00 -1.484680846e+00 2.28 -1.960415251e+00 -1.960415251e+00 2.30 -2.390060031e+00 -2.390060031e+00 2.32 -2.776675894e+00 -2.776675894e+00 2.34 -3.122942065e+00 -3.122942065e+00 2.36 -3.431538241e+00 -3.431538241e+00 2.38 -3.704947186e+00 -3.704947186e+00 2.40 -3.945433007e+00 -3.945433007e+00 2.42 -4.155392173e+00 -4.155392173e+00 2.44 -4.337170403e+00 -4.337170403e+00 2.46 -4.492832599e+00 -4.492832599e+00 2.48 -4.624336879e+00 -4.624336879e+00 2.50 -4.733532668e+00 -4.733532668e+00 2.52 -4.822467106e+00 -4.822467106e+00 2.54 -4.892403983e+00 -4.892403983e+00 2.56 -4.944998222e+00 -4.944998222e+00 2.58 -4.981707458e+00 -4.981707458e+00 2.60 -5.003900377e+00 -5.003900377e+00 2.62 -5.012860368e+00 -5.012860368e+00 2.64 -5.009788917e+00 -5.009788917e+00 2.66 -4.995981867e+00 -4.995981867e+00 2.68 -4.972378773e+00 -4.972378773e+00 2.70 -4.939881318e+00 -4.939881318e+00 2.72 -4.899397268e+00 -4.899397268e+00 2.74 -4.851771098e+00 -4.851771098e+00 2.76 -4.797791183e+00 -4.797791183e+00 2.78 -4.739142372e+00 -4.739142372e+00 2.80 -4.675710064e+00 -4.675710064e+00 2.82 -4.607800724e+00 -4.607800724e+00 2.84 -4.536065607e+00 -4.536065607e+00 2.86 -4.461031513e+00 -4.461031513e+00 2.88 -4.383230566e+00 -4.383230566e+00 2.90 -4.302096565e+00 -4.302096565e+00 2.92 -4.218395674e+00 -4.218395674e+00 2.94 -4.133204889e+00 -4.133204889e+00 2.96 -4.047110181e+00 -4.047110181e+00 2.98 -3.960138383e+00 -3.960138383e+00 3.00 -3.872562914e+00 -3.872562914e+00 3.02 -3.784653584e+00 -3.784653584e+00 3.04 -3.696368757e+00 -3.696368757e+00 3.06 -3.607679018e+00 -3.607679018e+00 3.08 -3.519299656e+00 -3.519299656e+00 3.10 -3.431398414e+00 -3.431398414e+00 3.12 -3.344121430e+00 -3.344121430e+00 3.14 -3.257600237e+00 -3.257600237e+00 3.16 -3.171951571e+00 -3.171951571e+00 3.18 -3.087278666e+00 -3.087278666e+00 3.20 -3.003672363e+00 -3.003672363e+00 3.22 -2.921212151e+00 -2.921212151e+00 3.24 -2.839959281e+00 -2.839959281e+00 3.26 -2.760920129e+00 -2.760920129e+00 3.28 -2.683492122e+00 -2.683492122e+00 3.30 -2.607363168e+00 -2.607363168e+00 3.32 -2.532573571e+00 -2.532573571e+00 3.34 -2.459156797e+00 -2.459156797e+00 3.36 -2.387139797e+00 -2.387139797e+00 3.38 -2.316544818e+00 -2.316544818e+00 3.40 -2.247387513e+00 -2.247387513e+00 3.42 -2.179677725e+00 -2.179677725e+00 3.44 -2.113427489e+00 -2.113427489e+00 3.46 -2.048647523e+00 -2.048647523e+00 3.48 -1.985343505e+00 -1.985343505e+00 3.50 -1.923462020e+00 -1.923462020e+00 3.52 -1.862866169e+00 -1.862866169e+00 3.54 -1.803484773e+00 -1.803484773e+00 3.56 -1.745361274e+00 -1.745361274e+00 3.58 -1.688585860e+00 -1.688585860e+00 3.60 -1.633225324e+00 -1.633225324e+00 3.62 -1.579310754e+00 -1.579310754e+00 3.64 -1.526809696e+00 -1.526809696e+00 3.66 -1.475670423e+00 -1.475670423e+00 3.68 -1.425828062e+00 -1.425828062e+00 3.70 -1.377233932e+00 -1.377233932e+00 3.72 -1.329893444e+00 -1.329893444e+00 3.74 -1.283827828e+00 -1.283827828e+00 3.76 -1.239049244e+00 -1.239049244e+00 3.78 -1.195525417e+00 -1.195525417e+00 3.80 -1.153223906e+00 -1.153223906e+00 3.82 -1.112119029e+00 -1.112119029e+00 3.84 -1.072193602e+00 -1.072193602e+00 3.86 -1.033432685e+00 -1.033432685e+00 3.88 -9.957493259e-01 -9.957493259e-01 3.90 -9.590753549e-01 -9.590753549e-01 3.92 -9.234486362e-01 -9.234486362e-01 3.94 -8.889011194e-01 -8.889011194e-01 3.96 -8.554485354e-01 -8.554485354e-01 3.98 -8.230802543e-01 -8.230802543e-01 4.00 -7.917630041e-01 -7.917630041e-01 4.02 -7.615073209e-01 -7.615073209e-01 4.04 -7.323821372e-01 -7.323821372e-01 4.06 -7.042610017e-01 -7.042610017e-01 4.08 -6.770401465e-01 -6.770401465e-01 4.10 -6.506427267e-01 -6.506427267e-01 4.12 -6.250324151e-01 -6.250324151e-01 4.14 -6.001655102e-01 -6.001655102e-01 4.16 -5.760746545e-01 -5.760746545e-01 4.18 -5.528459993e-01 -5.528459993e-01 4.20 -5.300479493e-01 -5.300479493e-01 4.22 -5.075956195e-01 -5.075956195e-01 4.24 -4.854327762e-01 -4.854327762e-01 4.26 -4.634769170e-01 -4.634769170e-01 4.28 -4.417391374e-01 -4.417391374e-01 4.30 -4.202834338e-01 -4.202834338e-01 4.32 -3.991655314e-01 -3.991655314e-01 4.34 -3.784335225e-01 -3.784335225e-01 4.36 -3.581173242e-01 -3.581173242e-01 4.38 -3.382266393e-01 -3.382266393e-01 4.40 -3.188012341e-01 -3.188012341e-01 4.42 -2.999251692e-01 -2.999251692e-01 4.44 -2.816607291e-01 -2.816607291e-01 4.46 -2.640517701e-01 -2.640517701e-01 4.48 -2.471270257e-01 -2.471270257e-01 4.50 -2.309028980e-01 -2.309028980e-01 4.52 -2.153858076e-01 -2.153858076e-01 4.54 -2.005741657e-01 -2.005741657e-01 4.56 -1.864600278e-01 -1.864600278e-01 4.58 -1.730337220e-01 -1.730337220e-01 4.60 -1.609564965e-01 -1.609564965e-01 4.62 -1.501457096e-01 -1.501457096e-01 4.64 -1.398787446e-01 -1.398787446e-01 4.66 -1.301355719e-01 -1.301355719e-01 4.68 -1.208955832e-01 -1.208955832e-01 4.70 -1.121378914e-01 -1.121378914e-01 4.72 -1.038415731e-01 -1.038415731e-01 4.74 -9.598586344e-02 -9.598586344e-02 4.76 -8.855031004e-02 -8.855031004e-02 4.78 -8.151989056e-02 -8.151989056e-02 4.80 -7.490134224e-02 -7.490134224e-02 4.82 -6.943879395e-02 -6.943879395e-02 4.84 -6.430429100e-02 -6.430429100e-02 4.86 -5.944933990e-02 -5.944933990e-02 4.88 -5.485747599e-02 -5.485747599e-02 4.90 -5.051522960e-02 -5.051522960e-02 4.92 -4.640969527e-02 -4.640969527e-02 4.94 -4.252853038e-02 -4.252853038e-02 4.96 -3.885994906e-02 -3.885994906e-02 4.98 -3.539271229e-02 -3.539271229e-02 5.00 -3.211611508e-02 -3.211611508e-02 5.02 -2.901997158e-02 -2.901997158e-02 5.04 -2.609459847e-02 -2.609459847e-02 5.06 -2.333079727e-02 -2.333079727e-02 5.08 -2.071983584e-02 -2.071983584e-02 5.10 -1.825342965e-02 -1.825342965e-02 5.12 -1.592372274e-02 -1.592372274e-02 5.14 -1.372326886e-02 -1.372326886e-02 5.16 -1.164501277e-02 -1.164501277e-02 5.18 -9.682271973e-03 -9.682271973e-03 5.20 -7.828718797e-03 -7.828718797e-03 5.22 -6.078363051e-03 -6.078363051e-03 5.24 -4.425535237e-03 -4.425535237e-03 5.26 -2.864870398e-03 -2.864870398e-03 5.28 -1.392192939e-03 -1.392192939e-03 5.30 -2.177715904e-15 -2.177149510e-15 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 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