# 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 = MoPbPt2 # 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 4.363915596e+02 4.363915596e+02 1.30 4.079872655e+02 4.079872655e+02 1.32 3.814067409e+02 3.814067409e+02 1.34 3.565294737e+02 3.565294737e+02 1.36 3.332542860e+02 3.332542860e+02 1.38 3.114914880e+02 3.114914880e+02 1.40 2.911562904e+02 2.911562904e+02 1.42 2.721645194e+02 2.721645194e+02 1.44 2.544288290e+02 2.544288290e+02 1.46 2.378571879e+02 2.378571879e+02 1.48 2.223563326e+02 2.223563326e+02 1.50 2.078374481e+02 2.078374481e+02 1.52 1.942191875e+02 1.942191875e+02 1.54 1.814272471e+02 1.814272471e+02 1.56 1.693932461e+02 1.693932461e+02 1.58 1.580544971e+02 1.580544971e+02 1.60 1.473542960e+02 1.473542960e+02 1.62 1.372419076e+02 1.372419076e+02 1.64 1.276722387e+02 1.276722387e+02 1.66 1.186056213e+02 1.186056213e+02 1.68 1.100081280e+02 1.100081280e+02 1.70 1.018521903e+02 1.018521903e+02 1.72 9.411665647e+01 9.411665647e+01 1.74 8.678544684e+01 8.678544684e+01 1.76 7.984507215e+01 7.984507215e+01 1.78 7.328239330e+01 7.328239330e+01 1.80 6.708507540e+01 6.708507540e+01 1.82 6.129629624e+01 6.129629624e+01 1.84 5.597632687e+01 5.597632687e+01 1.86 5.109190757e+01 5.109190757e+01 1.88 4.661040058e+01 4.661040058e+01 1.90 4.250063615e+01 4.250063615e+01 1.92 3.873237641e+01 3.873237641e+01 1.94 3.527602806e+01 3.527602806e+01 1.96 3.210296141e+01 3.210296141e+01 1.98 2.918621323e+01 2.918621323e+01 2.00 2.650117516e+01 2.650117516e+01 2.02 2.402596126e+01 2.402596126e+01 2.04 2.174139825e+01 2.174139825e+01 2.06 1.963075362e+01 1.963075362e+01 2.08 1.767934885e+01 1.767934885e+01 2.10 1.587417666e+01 1.587417666e+01 2.12 1.420356825e+01 1.420356825e+01 2.14 1.265695468e+01 1.265695468e+01 2.16 1.122471503e+01 1.122471503e+01 2.18 9.898101306e+00 9.898101306e+00 2.20 8.669200987e+00 8.669200987e+00 2.22 7.530905101e+00 7.530905101e+00 2.24 6.476854578e+00 6.476854578e+00 2.26 5.501363585e+00 5.501363585e+00 2.28 4.599324656e+00 4.599324656e+00 2.30 3.766115487e+00 3.766115487e+00 2.32 2.997505684e+00 2.997505684e+00 2.34 2.289574267e+00 2.289574267e+00 2.36 1.638641979e+00 1.638641979e+00 2.38 1.041214117e+00 1.041214117e+00 2.40 4.939354357e-01 4.939354357e-01 2.42 -6.442830534e-03 -6.442830534e-03 2.44 -4.630839763e-01 -4.630839763e-01 2.46 -8.790717844e-01 -8.790717844e-01 2.48 -1.257404437e+00 -1.257404437e+00 2.50 -1.600980115e+00 -1.600980115e+00 2.52 -1.912578771e+00 -1.912578771e+00 2.54 -2.194840968e+00 -2.194840968e+00 2.56 -2.450242056e+00 -2.450242056e+00 2.58 -2.681062208e+00 -2.681062208e+00 2.60 -2.889356933e+00 -2.889356933e+00 2.62 -3.078461825e+00 -3.078461825e+00 2.64 -3.250671430e+00 -3.250671430e+00 2.66 -3.406880730e+00 -3.406880730e+00 2.68 -3.547875110e+00 -3.547875110e+00 2.70 -3.674357305e+00 -3.674357305e+00 2.72 -3.786972171e+00 -3.786972171e+00 2.74 -3.886323877e+00 -3.886323877e+00 2.76 -3.972984862e+00 -3.972984862e+00 2.78 -4.047498512e+00 -4.047498512e+00 2.80 -4.110339670e+00 -4.110339670e+00 2.82 -4.161877159e+00 -4.161877159e+00 2.84 -4.202467984e+00 -4.202467984e+00 2.86 -4.232475443e+00 -4.232475443e+00 2.88 -4.252280223e+00 -4.252280223e+00 2.90 -4.262297102e+00 -4.262297102e+00 2.92 -4.262993519e+00 -4.262993519e+00 2.94 -4.254904556e+00 -4.254904556e+00 2.96 -4.238638247e+00 -4.238638247e+00 2.98 -4.214866625e+00 -4.214866625e+00 3.00 -4.184301556e+00 -4.184301556e+00 3.02 -4.147659289e+00 -4.147659289e+00 3.04 -4.105620977e+00 -4.105620977e+00 3.06 -4.058802169e+00 -4.058802169e+00 3.08 -4.007727706e+00 -4.007727706e+00 3.10 -3.952828812e+00 -3.952828812e+00 3.12 -3.894448460e+00 -3.894448460e+00 3.14 -3.832859866e+00 -3.832859866e+00 3.16 -3.768280014e+00 -3.768280014e+00 3.18 -3.700891154e+00 -3.700891154e+00 3.20 -3.630854820e+00 -3.630854820e+00 3.22 -3.558323382e+00 -3.558323382e+00 3.24 -3.483448789e+00 -3.483448789e+00 3.26 -3.406389604e+00 -3.406389604e+00 3.28 -3.327317337e+00 -3.327317337e+00 3.30 -3.246422524e+00 -3.246422524e+00 3.32 -3.163932790e+00 -3.163932790e+00 3.34 -3.080108604e+00 -3.080108604e+00 3.36 -2.995203760e+00 -2.995203760e+00 3.38 -2.909508481e+00 -2.909508481e+00 3.40 -2.823347081e+00 -2.823347081e+00 3.42 -2.737182526e+00 -2.737182526e+00 3.44 -2.651681030e+00 -2.651681030e+00 3.46 -2.567463706e+00 -2.567463706e+00 3.48 -2.485065460e+00 -2.485065460e+00 3.50 -2.404926148e+00 -2.404926148e+00 3.52 -2.327385336e+00 -2.327385336e+00 3.54 -2.252679535e+00 -2.252679535e+00 3.56 -2.180950426e+00 -2.180950426e+00 3.58 -2.112256652e+00 -2.112256652e+00 3.60 -2.046585876e+00 -2.046585876e+00 3.62 -1.983868455e+00 -1.983868455e+00 3.64 -1.923991368e+00 -1.923991368e+00 3.66 -1.866811354e+00 -1.866811354e+00 3.68 -1.812166520e+00 -1.812166520e+00 3.70 -1.759885979e+00 -1.759885979e+00 3.72 -1.709797385e+00 -1.709797385e+00 3.74 -1.661732431e+00 -1.661732431e+00 3.76 -1.615530532e+00 -1.615530532e+00 3.78 -1.571041025e+00 -1.571041025e+00 3.80 -1.528124236e+00 -1.528124236e+00 3.82 -1.486651774e+00 -1.486651774e+00 3.84 -1.446506341e+00 -1.446506341e+00 3.86 -1.407581308e+00 -1.407581308e+00 3.88 -1.369780194e+00 -1.369780194e+00 3.90 -1.333016170e+00 -1.333016170e+00 3.92 -1.297211206e+00 -1.297211206e+00 3.94 -1.262297456e+00 -1.262297456e+00 3.96 -1.228214303e+00 -1.228214303e+00 3.98 -1.194910142e+00 -1.194910142e+00 4.00 -1.162341855e+00 -1.162341855e+00 4.02 -1.130474858e+00 -1.130474858e+00 4.04 -1.099283186e+00 -1.099283186e+00 4.06 -1.068749510e+00 -1.068749510e+00 4.08 -1.038864983e+00 -1.038864983e+00 4.10 -1.009628207e+00 -1.009628207e+00 4.12 -9.810467694e-01 -9.810467694e-01 4.14 -9.531320083e-01 -9.531320083e-01 4.16 -9.258997814e-01 -9.258997814e-01 4.18 -8.993673329e-01 -8.993673329e-01 4.20 -8.735505919e-01 -8.735505919e-01 4.22 -8.484614372e-01 -8.484614372e-01 4.24 -8.241052283e-01 -8.241052283e-01 4.26 -8.004788863e-01 -8.004788863e-01 4.28 -7.775697243e-01 -7.775697243e-01 4.30 -7.553551138e-01 -7.553551138e-01 4.32 -7.338029368e-01 -7.338029368e-01 4.34 -7.128726695e-01 -7.128726695e-01 4.36 -6.925168782e-01 -6.925168782e-01 4.38 -6.726828957e-01 -6.726828957e-01 4.40 -6.533144748e-01 -6.533144748e-01 4.42 -6.343532755e-01 -6.343532755e-01 4.44 -6.157401061e-01 -6.157401061e-01 4.46 -5.974158999e-01 -5.974158999e-01 4.48 -5.793224593e-01 -5.793224593e-01 4.50 -5.614030286e-01 -5.614030286e-01 4.52 -5.436027759e-01 -5.436027759e-01 4.54 -5.258692709e-01 -5.258692709e-01 4.56 -5.081530388e-01 -5.081530388e-01 4.58 -4.904082634e-01 -4.904082634e-01 4.60 -4.725936930e-01 -4.725936930e-01 4.62 -4.546737848e-01 -4.546737848e-01 4.64 -4.366200903e-01 -4.366200903e-01 4.66 -4.184128559e-01 -4.184128559e-01 4.68 -4.000427693e-01 -4.000427693e-01 4.70 -3.815127377e-01 -3.815127377e-01 4.72 -3.628395407e-01 -3.628395407e-01 4.74 -3.440551614e-01 -3.440551614e-01 4.76 -3.252075747e-01 -3.252075747e-01 4.78 -3.063607719e-01 -3.063607719e-01 4.80 -2.875931257e-01 -2.875931257e-01 4.82 -2.689983630e-01 -2.689983630e-01 4.84 -2.506778910e-01 -2.506778910e-01 4.86 -2.327400119e-01 -2.327400119e-01 4.88 -2.152943933e-01 -2.152943933e-01 4.90 -1.984470640e-01 -1.984470640e-01 4.92 -1.822955252e-01 -1.822955252e-01 4.94 -1.669244150e-01 -1.669244150e-01 4.96 -1.524020971e-01 -1.524020971e-01 4.98 -1.387784309e-01 -1.387784309e-01 5.00 -1.260838280e-01 -1.260838280e-01 5.02 -1.143295523e-01 -1.143295523e-01 5.04 -1.035090945e-01 -1.035090945e-01 5.06 -9.360036345e-02 -9.360036345e-02 5.08 -8.456840286e-02 -8.456840286e-02 5.10 -7.636834416e-02 -7.636834416e-02 5.12 -6.894834489e-02 -6.894834489e-02 5.14 -6.225231135e-02 -6.225231135e-02 5.16 -5.622229651e-02 -5.622229651e-02 5.18 -5.080048303e-02 -5.080048303e-02 5.20 -4.593072022e-02 -4.593072022e-02 5.22 -4.155965314e-02 -4.155965314e-02 5.24 -3.763746757e-02 -3.763746757e-02 5.26 -3.411813230e-02 -3.411813230e-02 5.28 -3.095934953e-02 -3.095934953e-02 5.30 -2.812396152e-02 -2.812396152e-02 5.32 -2.557853124e-02 -2.557853124e-02 5.34 -2.329302465e-02 -2.329302465e-02 5.36 -2.124056059e-02 -2.124056059e-02 5.38 -1.939705517e-02 -1.939705517e-02 5.40 -1.774085297e-02 -1.774085297e-02 5.42 -1.625280480e-02 -1.625280480e-02 5.44 -1.491568650e-02 -1.491568650e-02 5.46 -1.371394267e-02 -1.371394267e-02 5.48 -1.263349855e-02 -1.263349855e-02 5.50 -1.166160216e-02 -1.166160216e-02 5.52 -1.078669316e-02 -1.078669316e-02 5.54 -9.998293716e-03 -9.998293716e-03 5.56 -9.286916111e-03 -9.286916111e-03 5.58 -8.643982957e-03 -8.643982957e-03 5.60 -8.061755816e-03 -8.061755816e-03 5.62 -7.533269795e-03 -7.533269795e-03 5.64 -7.052274875e-03 -7.052274875e-03 5.66 -6.613177447e-03 -6.613177447e-03 5.68 -6.210985691e-03 -6.210985691e-03 5.70 -5.841257828e-03 -5.841257828e-03 5.72 -5.500053241e-03 -5.500053241e-03 5.74 -5.183886662e-03 -5.183886662e-03 5.76 -4.889685646e-03 -4.889685646e-03 5.78 -4.614751487e-03 -4.614751487e-03 5.80 -4.356723656e-03 -4.356723656e-03 5.82 -4.113547705e-03 -4.113547705e-03 5.84 -3.883446524e-03 -3.883446524e-03 5.86 -3.664894687e-03 -3.664894687e-03 5.88 -3.456595575e-03 -3.456595575e-03 5.90 -3.257460854e-03 -3.257460854e-03 5.92 -3.066591867e-03 -3.066591867e-03 5.94 -2.883308793e-03 -2.883308793e-03 5.96 -2.707300924e-03 -2.707300924e-03 5.98 -2.538116726e-03 -2.538116726e-03 6.00 -2.375379692e-03 -2.375379692e-03