# 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 = Fe2PbPd # 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 2.959845851e+02 2.959845851e+02 1.30 2.734358965e+02 2.734358965e+02 1.32 2.526064187e+02 2.526064187e+02 1.34 2.333609398e+02 2.333609398e+02 1.36 2.155747888e+02 2.155747888e+02 1.38 1.991311820e+02 1.991311820e+02 1.40 1.839208365e+02 1.839208365e+02 1.42 1.698428856e+02 1.698428856e+02 1.44 1.568058195e+02 1.568058195e+02 1.46 1.447276012e+02 1.447276012e+02 1.48 1.335346944e+02 1.335346944e+02 1.50 1.231604043e+02 1.231604043e+02 1.52 1.135431967e+02 1.135431967e+02 1.54 1.046254855e+02 1.046254855e+02 1.56 9.635295372e+01 9.635295372e+01 1.58 8.867438685e+01 8.867438685e+01 1.60 8.154189934e+01 8.154189934e+01 1.62 7.491146283e+01 7.491146283e+01 1.64 6.874348930e+01 6.874348930e+01 1.66 6.300309140e+01 6.300309140e+01 1.68 5.767250366e+01 5.767250366e+01 1.70 5.274568987e+01 5.274568987e+01 1.72 4.819694290e+01 4.819694290e+01 1.74 4.400169692e+01 4.400169692e+01 1.76 4.013608529e+01 4.013608529e+01 1.78 3.657652770e+01 3.657652770e+01 1.80 3.329983632e+01 3.329983632e+01 1.82 3.028364500e+01 3.028364500e+01 1.84 2.750686634e+01 2.750686634e+01 1.86 2.494997288e+01 2.494997288e+01 1.88 2.259505054e+01 2.259505054e+01 1.90 2.042569106e+01 2.042569106e+01 1.92 1.842683819e+01 1.842683819e+01 1.94 1.658467073e+01 1.658467073e+01 1.96 1.488649628e+01 1.488649628e+01 1.98 1.332065348e+01 1.332065348e+01 2.00 1.187641577e+01 1.187641577e+01 2.02 1.054392180e+01 1.054392180e+01 2.04 9.314143166e+00 9.314143166e+00 2.06 8.178878339e+00 8.178878339e+00 2.08 7.130744495e+00 7.130744495e+00 2.10 6.163139508e+00 6.163139508e+00 2.12 5.270170785e+00 5.270170785e+00 2.14 4.446552902e+00 4.446552902e+00 2.16 3.687499629e+00 3.687499629e+00 2.18 2.988626441e+00 2.988626441e+00 2.20 2.345872984e+00 2.345872984e+00 2.22 1.755451315e+00 1.755451315e+00 2.24 1.213814032e+00 1.213814032e+00 2.26 7.176366271e-01 7.176366271e-01 2.28 2.638046728e-01 2.638046728e-01 2.30 -1.505945541e-01 -1.505945541e-01 2.32 -5.282901220e-01 -5.282901220e-01 2.34 -8.718380056e-01 -8.718380056e-01 2.36 -1.183642614e+00 -1.183642614e+00 2.38 -1.465972538e+00 -1.465972538e+00 2.40 -1.720974608e+00 -1.720974608e+00 2.42 -1.950684170e+00 -1.950684170e+00 2.44 -2.157031441e+00 -2.157031441e+00 2.46 -2.341844113e+00 -2.341844113e+00 2.48 -2.506846191e+00 -2.506846191e+00 2.50 -2.653653040e+00 -2.653653040e+00 2.52 -2.783763691e+00 -2.783763691e+00 2.54 -2.898553166e+00 -2.898553166e+00 2.56 -2.999463672e+00 -2.999463672e+00 2.58 -3.087833385e+00 -3.087833385e+00 2.60 -3.164457293e+00 -3.164457293e+00 2.62 -3.230072318e+00 -3.230072318e+00 2.64 -3.285355292e+00 -3.285355292e+00 2.66 -3.330942013e+00 -3.330942013e+00 2.68 -3.367437571e+00 -3.367437571e+00 2.70 -3.395419913e+00 -3.395419913e+00 2.72 -3.415474923e+00 -3.415474923e+00 2.74 -3.428193854e+00 -3.428193854e+00 2.76 -3.434114141e+00 -3.434114141e+00 2.78 -3.433524831e+00 -3.433524831e+00 2.80 -3.426601676e+00 -3.426601676e+00 2.82 -3.413569510e+00 -3.413569510e+00 2.84 -3.394706945e+00 -3.394706945e+00 2.86 -3.370344874e+00 -3.370344874e+00 2.88 -3.340861611e+00 -3.340861611e+00 2.90 -3.306673358e+00 -3.306673358e+00 2.92 -3.268220065e+00 -3.268220065e+00 2.94 -3.225947941e+00 -3.225947941e+00 2.96 -3.180305909e+00 -3.180305909e+00 2.98 -3.131733451e+00 -3.131733451e+00 3.00 -3.080535285e+00 -3.080535285e+00 3.02 -3.026972675e+00 -3.026972675e+00 3.04 -2.971270483e+00 -2.971270483e+00 3.06 -2.913623253e+00 -2.913623253e+00 3.08 -2.854196492e+00 -2.854196492e+00 3.10 -2.793125848e+00 -2.793125848e+00 3.12 -2.730519315e+00 -2.730519315e+00 3.14 -2.666493843e+00 -2.666493843e+00 3.16 -2.601181781e+00 -2.601181781e+00 3.18 -2.534741810e+00 -2.534741810e+00 3.20 -2.467363471e+00 -2.467363471e+00 3.22 -2.399269806e+00 -2.399269806e+00 3.24 -2.330716755e+00 -2.330716755e+00 3.26 -2.261989206e+00 -2.261989206e+00 3.28 -2.193393822e+00 -2.193393822e+00 3.30 -2.125249093e+00 -2.125249093e+00 3.32 -2.057873351e+00 -2.057873351e+00 3.34 -1.991571794e+00 -1.991571794e+00 3.36 -1.926623816e+00 -1.926623816e+00 3.38 -1.863271963e+00 -1.863271963e+00 3.40 -1.801713425e+00 -1.801713425e+00 3.42 -1.742096394e+00 -1.742096394e+00 3.44 -1.684517364e+00 -1.684517364e+00 3.46 -1.629024774e+00 -1.629024774e+00 3.48 -1.575623828e+00 -1.575623828e+00 3.50 -1.524283427e+00 -1.524283427e+00 3.52 -1.474943961e+00 -1.474943961e+00 3.54 -1.427525166e+00 -1.427525166e+00 3.56 -1.381933446e+00 -1.381933446e+00 3.58 -1.338068271e+00 -1.338068271e+00 3.60 -1.295827497e+00 -1.295827497e+00 3.62 -1.255111513e+00 -1.255111513e+00 3.64 -1.215826306e+00 -1.215826306e+00 3.66 -1.177885464e+00 -1.177885464e+00 3.68 -1.141211257e+00 -1.141211257e+00 3.70 -1.105734856e+00 -1.105734856e+00 3.72 -1.071395832e+00 -1.071395832e+00 3.74 -1.038141059e+00 -1.038141059e+00 3.76 -1.005923235e+00 -1.005923235e+00 3.78 -9.746992144e-01 -9.746992144e-01 3.80 -9.444284170e-01 -9.444284170e-01 3.82 -9.150715047e-01 -9.150715047e-01 3.84 -8.865894820e-01 -8.865894820e-01 3.86 -8.589432858e-01 -8.589432858e-01 3.88 -8.320938458e-01 -8.320938458e-01 3.90 -8.060025336e-01 -8.060025336e-01 3.92 -7.806315336e-01 -7.806315336e-01 3.94 -7.559462080e-01 -7.559462080e-01 3.96 -7.319136821e-01 -7.319136821e-01 3.98 -7.085053823e-01 -7.085053823e-01 4.00 -6.856973715e-01 -6.856973715e-01 4.02 -6.634709385e-01 -6.634709385e-01 4.04 -6.418129392e-01 -6.418129392e-01 4.06 -6.207158198e-01 -6.207158198e-01 4.08 -6.001772689e-01 -6.001772689e-01 4.10 -5.801982178e-01 -5.801982178e-01 4.12 -5.607869125e-01 -5.607869125e-01 4.14 -5.419492463e-01 -5.419492463e-01 4.16 -5.236928566e-01 -5.236928566e-01 4.18 -5.060239165e-01 -5.060239165e-01 4.20 -4.889456042e-01 -4.889456042e-01 4.22 -4.724569113e-01 -4.724569113e-01 4.24 -4.565518957e-01 -4.565518957e-01 4.26 -4.412194191e-01 -4.412194191e-01 4.28 -4.264433360e-01 -4.264433360e-01 4.30 -4.122030602e-01 -4.122030602e-01 4.32 -3.984743344e-01 -3.984743344e-01 4.34 -3.852294787e-01 -3.852294787e-01 4.36 -3.724402679e-01 -3.724402679e-01 4.38 -3.600777405e-01 -3.600777405e-01 4.40 -3.481125357e-01 -3.481125357e-01 4.42 -3.365156525e-01 -3.365156525e-01 4.44 -3.252590287e-01 -3.252590287e-01 4.46 -3.143159743e-01 -3.143159743e-01 4.48 -3.036615002e-01 -3.036615002e-01 4.50 -2.932725802e-01 -2.932725802e-01 4.52 -2.831283801e-01 -2.831283801e-01 4.54 -2.732104769e-01 -2.732104769e-01 4.56 -2.635030829e-01 -2.635030829e-01 4.58 -2.539932776e-01 -2.539932776e-01 4.60 -2.446712389e-01 -2.446712389e-01 4.62 -2.355304542e-01 -2.355304542e-01 4.64 -2.265678828e-01 -2.265678828e-01 4.66 -2.177840326e-01 -2.177840326e-01 4.68 -2.091829139e-01 -2.091829139e-01 4.70 -2.007718327e-01 -2.007718327e-01 4.72 -1.925610003e-01 -1.925610003e-01 4.74 -1.845629492e-01 -1.845629492e-01 4.76 -1.767917713e-01 -1.767917713e-01 4.78 -1.692622178e-01 -1.692622178e-01 4.80 -1.619879276e-01 -1.619879276e-01 4.82 -1.549837659e-01 -1.549837659e-01 4.84 -1.482597618e-01 -1.482597618e-01 4.86 -1.418239995e-01 -1.418239995e-01 4.88 -1.356811709e-01 -1.356811709e-01 4.90 -1.298323302e-01 -1.298323302e-01 4.92 -1.242748998e-01 -1.242748998e-01 4.94 -1.190029036e-01 -1.190029036e-01 4.96 -1.140073794e-01 -1.140073794e-01 4.98 -1.092769136e-01 -1.092769136e-01 5.00 -1.047982404e-01 -1.047982404e-01 5.02 -1.005568504e-01 -1.005568504e-01 5.04 -9.653756834e-02 -9.653756834e-02 5.06 -9.272506740e-02 -9.272506740e-02 5.08 -8.910430573e-02 -8.910430573e-02 5.10 -8.566087334e-02 -8.566087334e-02 5.12 -8.238125263e-02 -8.238125263e-02 5.14 -7.925299747e-02 -7.925299747e-02 5.16 -7.626483888e-02 -7.626483888e-02 5.18 -7.340672685e-02 -7.340672685e-02 5.20 -7.066981800e-02 -7.066981800e-02 5.22 -6.804641825e-02 -6.804641825e-02 5.24 -6.552988946e-02 -6.552988946e-02 5.26 -6.311452126e-02 -6.311452126e-02 5.28 -6.079536294e-02 -6.079536294e-02 5.30 -5.856816342e-02 -5.856816342e-02 5.32 -5.642917393e-02 -5.642917393e-02 5.34 -5.437499176e-02 -5.437499176e-02 5.36 -5.240242897e-02 -5.240242897e-02 5.38 -5.050840070e-02 -5.050840070e-02 5.40 -4.868983714e-02 -4.868983714e-02 5.42 -4.694362071e-02 -4.694362071e-02 5.44 -4.526654809e-02 -4.526654809e-02 5.46 -4.365531481e-02 -4.365531481e-02 5.48 -4.210651859e-02 -4.210651859e-02 5.50 -4.061667703e-02 -4.061667703e-02 5.52 -3.918225500e-02 -3.918225500e-02 5.54 -3.779969734e-02 -3.779969734e-02 5.56 -3.646546320e-02 -3.646546320e-02 5.58 -3.517605932e-02 -3.517605932e-02 5.60 -3.392807042e-02 -3.392807042e-02 5.62 -3.271818572e-02 -3.271818572e-02 5.64 -3.154322083e-02 -3.154322083e-02 5.66 -3.040013631e-02 -3.040013631e-02 5.68 -2.928605310e-02 -2.928605310e-02 5.70 -2.819826543e-02 -2.819826543e-02 5.72 -2.713425258e-02 -2.713425258e-02 5.74 -2.609169017e-02 -2.609169017e-02 5.76 -2.506846185e-02 -2.506846185e-02 5.78 -2.406267196e-02 -2.406267196e-02 5.80 -2.307265949e-02 -2.307265949e-02 5.82 -2.209701336e-02 -2.209701336e-02 5.84 -2.113458876e-02 -2.113458876e-02 5.86 -2.018452381e-02 -2.018452381e-02 5.88 -1.924625579e-02 -1.924625579e-02 5.90 -1.831953537e-02 -1.831953537e-02 5.92 -1.740443748e-02 -1.740443748e-02 5.94 -1.650134293e-02 -1.650134293e-02 5.96 -1.561084387e-02 -1.561084387e-02 5.98 -1.473400255e-02 -1.473400255e-02 6.00 -1.387220730e-02 -1.387220730e-02