# 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 = CoFe2Pt # 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 2.214210894e+02 2.214210894e+02 1.30 2.035089303e+02 2.035089303e+02 1.32 1.869636732e+02 1.869636732e+02 1.34 1.716856223e+02 1.716856223e+02 1.36 1.575848240e+02 1.575848240e+02 1.38 1.445730994e+02 1.445730994e+02 1.40 1.325612483e+02 1.325612483e+02 1.42 1.214617021e+02 1.214617021e+02 1.44 1.111932229e+02 1.111932229e+02 1.46 1.016843499e+02 1.016843499e+02 1.48 9.287412798e+01 9.287412798e+01 1.50 8.471036335e+01 8.471036335e+01 1.52 7.714650800e+01 7.714650800e+01 1.54 7.013862533e+01 7.013862533e+01 1.56 6.364371491e+01 6.364371491e+01 1.58 5.761957899e+01 5.761957899e+01 1.60 5.202550355e+01 5.202550355e+01 1.62 4.682317746e+01 4.682317746e+01 1.64 4.197778299e+01 4.197778299e+01 1.66 3.745913258e+01 3.745913258e+01 1.68 3.326992099e+01 3.326992099e+01 1.70 2.945205548e+01 2.945205548e+01 1.72 2.598345549e+01 2.598345549e+01 1.74 2.284071460e+01 2.284071460e+01 1.76 2.000013036e+01 2.000013036e+01 1.78 1.743694338e+01 1.743694338e+01 1.80 1.512592629e+01 1.512592629e+01 1.82 1.304257639e+01 1.304257639e+01 1.84 1.116410750e+01 1.116410750e+01 1.86 9.469898442e+00 9.469898442e+00 1.88 7.941483582e+00 7.941483582e+00 1.90 6.562320404e+00 6.562320404e+00 1.92 5.317520202e+00 5.317520202e+00 1.94 4.193630040e+00 4.193630040e+00 1.96 3.178493507e+00 3.178493507e+00 1.98 2.261187992e+00 2.261187992e+00 2.00 1.432003551e+00 1.432003551e+00 2.02 6.824080292e-01 6.824080292e-01 2.04 4.962028104e-03 4.962028104e-03 2.06 -6.068137207e-01 -6.068137207e-01 2.08 -1.158593790e+00 -1.158593790e+00 2.10 -1.655402492e+00 -1.655402492e+00 2.12 -2.101750491e+00 -2.101750491e+00 2.14 -2.501740741e+00 -2.501740741e+00 2.16 -2.859136782e+00 -2.859136782e+00 2.18 -3.177397551e+00 -3.177397551e+00 2.20 -3.459692666e+00 -3.459692666e+00 2.22 -3.708913395e+00 -3.708913395e+00 2.24 -3.927687912e+00 -3.927687912e+00 2.26 -4.118402077e+00 -4.118402077e+00 2.28 -4.283223505e+00 -4.283223505e+00 2.30 -4.424126977e+00 -4.424126977e+00 2.32 -4.543556039e+00 -4.543556039e+00 2.34 -4.644385051e+00 -4.644385051e+00 2.36 -4.727664482e+00 -4.727664482e+00 2.38 -4.794389670e+00 -4.794389670e+00 2.40 -4.845582455e+00 -4.845582455e+00 2.42 -4.882295282e+00 -4.882295282e+00 2.44 -4.905613336e+00 -4.905613336e+00 2.46 -4.916672421e+00 -4.916672421e+00 2.48 -4.916655059e+00 -4.916655059e+00 2.50 -4.906681713e+00 -4.906681713e+00 2.52 -4.887896376e+00 -4.887896376e+00 2.54 -4.861447508e+00 -4.861447508e+00 2.56 -4.828447883e+00 -4.828447883e+00 2.58 -4.789927055e+00 -4.789927055e+00 2.60 -4.746787897e+00 -4.746787897e+00 2.62 -4.699758486e+00 -4.699758486e+00 2.64 -4.649327268e+00 -4.649327268e+00 2.66 -4.595836591e+00 -4.595836591e+00 2.68 -4.539520411e+00 -4.539520411e+00 2.70 -4.480533017e+00 -4.480533017e+00 2.72 -4.418977837e+00 -4.418977837e+00 2.74 -4.354931132e+00 -4.354931132e+00 2.76 -4.288419203e+00 -4.288419203e+00 2.78 -4.219241472e+00 -4.219241472e+00 2.80 -4.147178394e+00 -4.147178394e+00 2.82 -4.072094024e+00 -4.072094024e+00 2.84 -3.993933777e+00 -3.993933777e+00 2.86 -3.912724549e+00 -3.912724549e+00 2.88 -3.828576185e+00 -3.828576185e+00 2.90 -3.741682673e+00 -3.741682673e+00 2.92 -3.652320991e+00 -3.652320991e+00 2.94 -3.560845124e+00 -3.560845124e+00 2.96 -3.467672820e+00 -3.467672820e+00 2.98 -3.373276509e+00 -3.373276509e+00 3.00 -3.278326763e+00 -3.278326763e+00 3.02 -3.183569497e+00 -3.183569497e+00 3.04 -3.089625357e+00 -3.089625357e+00 3.06 -2.996969597e+00 -2.996969597e+00 3.08 -2.905934333e+00 -2.905934333e+00 3.10 -2.816726820e+00 -2.816726820e+00 3.12 -2.729458348e+00 -2.729458348e+00 3.14 -2.644177168e+00 -2.644177168e+00 3.16 -2.560899560e+00 -2.560899560e+00 3.18 -2.479634984e+00 -2.479634984e+00 3.20 -2.400403236e+00 -2.400403236e+00 3.22 -2.323243260e+00 -2.323243260e+00 3.24 -2.248214507e+00 -2.248214507e+00 3.26 -2.175392431e+00 -2.175392431e+00 3.28 -2.104860099e+00 -2.104860099e+00 3.30 -2.036697952e+00 -2.036697952e+00 3.32 -1.970973608e+00 -1.970973608e+00 3.34 -1.907733239e+00 -1.907733239e+00 3.36 -1.846995607e+00 -1.846995607e+00 3.38 -1.788749207e+00 -1.788749207e+00 3.40 -1.732952476e+00 -1.732952476e+00 3.42 -1.679536573e+00 -1.679536573e+00 3.44 -1.628409961e+00 -1.628409961e+00 3.46 -1.579463977e+00 -1.579463977e+00 3.48 -1.532578634e+00 -1.532578634e+00 3.50 -1.487628052e+00 -1.487628052e+00 3.52 -1.444485159e+00 -1.444485159e+00 3.54 -1.403025436e+00 -1.403025436e+00 3.56 -1.363129690e+00 -1.363129690e+00 3.58 -1.324685911e+00 -1.324685911e+00 3.60 -1.287590339e+00 -1.287590339e+00 3.62 -1.251747893e+00 -1.251747893e+00 3.64 -1.217072124e+00 -1.217072124e+00 3.66 -1.183484818e+00 -1.183484818e+00 3.68 -1.150915380e+00 -1.150915380e+00 3.70 -1.119300079e+00 -1.119300079e+00 3.72 -1.088581236e+00 -1.088581236e+00 3.74 -1.058706401e+00 -1.058706401e+00 3.76 -1.029627561e+00 -1.029627561e+00 3.78 -1.001300393e+00 -1.001300393e+00 3.80 -9.736835965e-01 -9.736835965e-01 3.82 -9.467383015e-01 -9.467383015e-01 3.84 -9.204275722e-01 -9.204275722e-01 3.86 -8.947160085e-01 -8.947160085e-01 3.88 -8.695694585e-01 -8.695694585e-01 3.90 -8.449548533e-01 -8.449548533e-01 3.92 -8.208401746e-01 -8.208401746e-01 3.94 -7.971945787e-01 -7.971945787e-01 3.96 -7.739886741e-01 -7.739886741e-01 3.98 -7.511949866e-01 -7.511949866e-01 4.00 -7.287885964e-01 -7.287885964e-01 4.02 -7.067479451e-01 -7.067479451e-01 4.04 -6.850557747e-01 -6.850557747e-01 4.06 -6.637001389e-01 -6.637001389e-01 4.08 -6.426753885e-01 -6.426753885e-01 4.10 -6.219829990e-01 -6.219829990e-01 4.12 -6.016321069e-01 -6.016321069e-01 4.14 -5.816395393e-01 -5.816395393e-01 4.16 -5.620292764e-01 -5.620292764e-01 4.18 -5.428312092e-01 -5.428312092e-01 4.20 -5.240792271e-01 -5.240792271e-01 4.22 -5.058087510e-01 -5.058087510e-01 4.24 -4.880539333e-01 -4.880539333e-01 4.26 -4.708448274e-01 -4.708448274e-01 4.28 -4.542048401e-01 -4.542048401e-01 4.30 -4.381487338e-01 -4.381487338e-01 4.32 -4.226813790e-01 -4.226813790e-01 4.34 -4.077973197e-01 -4.077973197e-01 4.36 -3.934814112e-01 -3.934814112e-01 4.38 -3.797095715e-01 -3.797095715e-01 4.40 -3.664491300e-01 -3.664491300e-01 4.42 -3.536615310e-01 -3.536615310e-01 4.44 -3.413039826e-01 -3.413039826e-01 4.46 -3.293309628e-01 -3.293309628e-01 4.48 -3.176955549e-01 -3.176955549e-01 4.50 -3.063505872e-01 -3.063505872e-01 4.52 -2.952495474e-01 -2.952495474e-01 4.54 -2.843472692e-01 -2.843472692e-01 4.56 -2.736010977e-01 -2.736010977e-01 4.58 -2.629711570e-01 -2.629711570e-01 4.60 -2.524209633e-01 -2.524209633e-01 4.62 -2.419181403e-01 -2.419181403e-01 4.64 -2.314351826e-01 -2.314351826e-01 4.66 -2.209502771e-01 -2.209502771e-01 4.68 -2.104481699e-01 -2.104481699e-01 4.70 -1.999210333e-01 -1.999210333e-01 4.72 -1.893692689e-01 -1.893692689e-01 4.74 -1.788021546e-01 -1.788021546e-01 4.76 -1.682382342e-01 -1.682382342e-01 4.78 -1.577053427e-01 -1.577053427e-01 4.80 -1.472401763e-01 -1.472401763e-01 4.82 -1.368873494e-01 -1.368873494e-01 4.84 -1.266979184e-01 -1.266979184e-01 4.86 -1.167274264e-01 -1.167274264e-01 4.88 -1.070335667e-01 -1.070335667e-01 4.90 -9.767362239e-02 -9.767362239e-02 4.92 -8.870187464e-02 -8.870187464e-02 4.94 -8.016717617e-02 -8.016717617e-02 4.96 -7.211087632e-02 -7.211087632e-02 4.98 -6.456524257e-02 -6.456524257e-02 5.00 -5.755247124e-02 -5.755247124e-02 5.02 -5.108431926e-02 -5.108431926e-02 5.04 -4.516233056e-02 -4.516233056e-02 5.06 -3.977858061e-02 -3.977858061e-02 5.08 -3.491682633e-02 -3.491682633e-02 5.10 -3.055393010e-02 -3.055393010e-02 5.12 -2.666141813e-02 -2.666141813e-02 5.14 -2.320704950e-02 -2.320704950e-02 5.16 -2.015630368e-02 -2.015630368e-02 5.18 -1.747369752e-02 -1.747369752e-02 5.20 -1.512352091e-02 -1.512352091e-02 5.22 -1.307106193e-02 -1.307106193e-02 5.24 -1.128428769e-02 -1.128428769e-02 5.26 -9.733009100e-03 -9.733009100e-03 5.28 -8.389238659e-03 -8.389238659e-03 5.30 -7.227403453e-03 -7.227403453e-03 5.32 -6.224411454e-03 -6.224411454e-03 5.34 -5.359612346e-03 -5.359612346e-03 5.36 -4.614686804e-03 -4.614686804e-03 5.38 -3.973490858e-03 -3.973490858e-03 5.40 -3.421875596e-03 -3.421875596e-03 5.42 -2.947496957e-03 -2.947496957e-03 5.44 -2.539625952e-03 -2.539625952e-03 5.46 -2.188966208e-03 -2.188966208e-03 5.48 -1.887483093e-03 -1.887483093e-03 5.50 -1.628246783e-03 -1.628246783e-03 5.52 -1.405290269e-03 -1.405290269e-03 5.54 -1.213482351e-03 -1.213482351e-03 5.56 -1.048415099e-03 -1.048415099e-03 5.58 -9.063048508e-04 -9.063048508e-04 5.60 -7.839056373e-04 -7.839056373e-04 5.62 -6.784338469e-04 -6.784338469e-04 5.64 -5.875029164e-04 -5.875029164e-04 5.66 -5.090668985e-04 -5.090668985e-04 5.68 -4.413718228e-04 -4.413718228e-04 5.70 -3.829138606e-04 -3.829138606e-04 5.72 -3.324034025e-04 -3.324034025e-04 5.74 -2.887342509e-04 -2.887342509e-04 5.76 -2.509572284e-04 -2.509572284e-04 5.78 -2.182575844e-04 -2.182575844e-04 5.80 -1.899356654e-04 -1.899356654e-04 5.82 -1.653903831e-04 -1.653903831e-04 5.84 -1.441050790e-04 -1.441050790e-04 5.86 -1.256354388e-04 -1.256354388e-04 5.88 -1.095991596e-04 -1.095991596e-04 5.90 -9.566711469e-05 -9.566711469e-05 5.92 -8.355579750e-05 -8.355579750e-05 5.94 -7.302085771e-05 -7.302085771e-05 5.96 -6.385157021e-05 -6.385157021e-05 5.98 -5.586610041e-05 -5.586610041e-05 6.00 -4.890744969e-05 -4.890744969e-05