# 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 = MgNi2Zr # 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 2.476511187e+02 2.476511187e+02 1.30 2.287736268e+02 2.287736268e+02 1.32 2.113328023e+02 2.113328023e+02 1.34 1.952083778e+02 1.952083778e+02 1.36 1.802930309e+02 1.802930309e+02 1.38 1.664921928e+02 1.664921928e+02 1.40 1.537218992e+02 1.537218992e+02 1.42 1.419057626e+02 1.419057626e+02 1.44 1.309725803e+02 1.309725803e+02 1.46 1.208552583e+02 1.208552583e+02 1.48 1.114907387e+02 1.114907387e+02 1.50 1.028201386e+02 1.028201386e+02 1.52 9.478886951e+01 9.478886951e+01 1.54 8.734673469e+01 8.734673469e+01 1.56 8.044798342e+01 8.044798342e+01 1.58 7.405115457e+01 7.405115457e+01 1.60 6.811868411e+01 6.811868411e+01 1.62 6.261642102e+01 6.261642102e+01 1.64 5.751318390e+01 5.751318390e+01 1.66 5.278032762e+01 5.278032762e+01 1.68 4.839132181e+01 4.839132181e+01 1.70 4.432148506e+01 4.432148506e+01 1.72 4.054786830e+01 4.054786830e+01 1.74 3.704943562e+01 3.704943562e+01 1.76 3.380603062e+01 3.380603062e+01 1.78 3.079886297e+01 3.079886297e+01 1.80 2.801051748e+01 2.801051748e+01 1.82 2.542524842e+01 2.542524842e+01 1.84 2.302872426e+01 2.302872426e+01 1.86 2.080780308e+01 2.080780308e+01 1.88 1.875036342e+01 1.875036342e+01 1.90 1.684516718e+01 1.684516718e+01 1.92 1.508172660e+01 1.508172660e+01 1.94 1.345019248e+01 1.345019248e+01 1.96 1.194127312e+01 1.194127312e+01 1.98 1.054624390e+01 1.054624390e+01 2.00 9.256988152e+00 9.256988152e+00 2.02 8.066009251e+00 8.066009251e+00 2.04 6.966398277e+00 6.966398277e+00 2.06 5.951768551e+00 5.951768551e+00 2.08 5.016176054e+00 5.016176054e+00 2.10 4.154068322e+00 4.154068322e+00 2.12 3.360259481e+00 3.360259481e+00 2.14 2.629926965e+00 2.629926965e+00 2.16 1.958620945e+00 1.958620945e+00 2.18 1.342242738e+00 1.342242738e+00 2.20 7.770011429e-01 7.770011429e-01 2.22 2.593390613e-01 2.593390613e-01 2.24 -2.141201948e-01 -2.141201948e-01 2.26 -6.465940362e-01 -6.465940362e-01 2.28 -1.041149630e+00 -1.041149630e+00 2.30 -1.400669920e+00 -1.400669920e+00 2.32 -1.727878738e+00 -1.727878738e+00 2.34 -2.025319824e+00 -2.025319824e+00 2.36 -2.295373397e+00 -2.295373397e+00 2.38 -2.540242640e+00 -2.540242640e+00 2.40 -2.761941839e+00 -2.761941839e+00 2.42 -2.962311585e+00 -2.962311585e+00 2.44 -3.143075818e+00 -3.143075818e+00 2.46 -3.305676852e+00 -3.305676852e+00 2.48 -3.451434403e+00 -3.451434403e+00 2.50 -3.581585014e+00 -3.581585014e+00 2.52 -3.697278308e+00 -3.697278308e+00 2.54 -3.799570751e+00 -3.799570751e+00 2.56 -3.889422574e+00 -3.889422574e+00 2.58 -3.967647396e+00 -3.967647396e+00 2.60 -4.034843026e+00 -4.034843026e+00 2.62 -4.091562238e+00 -4.091562238e+00 2.64 -4.138364746e+00 -4.138364746e+00 2.66 -4.175814531e+00 -4.175814531e+00 2.68 -4.204500661e+00 -4.204500661e+00 2.70 -4.225036468e+00 -4.225036468e+00 2.72 -4.238059423e+00 -4.238059423e+00 2.74 -4.244224469e+00 -4.244224469e+00 2.76 -4.244186327e+00 -4.244186327e+00 2.78 -4.238574952e+00 -4.238574952e+00 2.80 -4.227983104e+00 -4.227983104e+00 2.82 -4.212935077e+00 -4.212935077e+00 2.84 -4.193890191e+00 -4.193890191e+00 2.86 -4.171162013e+00 -4.171162013e+00 2.88 -4.144886196e+00 -4.144886196e+00 2.90 -4.115189315e+00 -4.115189315e+00 2.92 -4.082209214e+00 -4.082209214e+00 2.94 -4.046095746e+00 -4.046095746e+00 2.96 -4.007010161e+00 -4.007010161e+00 2.98 -3.965123305e+00 -3.965123305e+00 3.00 -3.920613157e+00 -3.920613157e+00 3.02 -3.873662242e+00 -3.873662242e+00 3.04 -3.824453224e+00 -3.824453224e+00 3.06 -3.773176606e+00 -3.773176606e+00 3.08 -3.720014967e+00 -3.720014967e+00 3.10 -3.665153390e+00 -3.665153390e+00 3.12 -3.608774310e+00 -3.608774310e+00 3.14 -3.551066864e+00 -3.551066864e+00 3.16 -3.492211567e+00 -3.492211567e+00 3.18 -3.432390432e+00 -3.432390432e+00 3.20 -3.371783547e+00 -3.371783547e+00 3.22 -3.310569001e+00 -3.310569001e+00 3.24 -3.248923489e+00 -3.248923489e+00 3.26 -3.187023229e+00 -3.187023229e+00 3.28 -3.125044306e+00 -3.125044306e+00 3.30 -3.063161260e+00 -3.063161260e+00 3.32 -3.001543161e+00 -3.001543161e+00 3.34 -2.940347311e+00 -2.940347311e+00 3.36 -2.879711825e+00 -2.879711825e+00 3.38 -2.819748942e+00 -2.819748942e+00 3.40 -2.760546478e+00 -2.760546478e+00 3.42 -2.702168582e+00 -2.702168582e+00 3.44 -2.644621174e+00 -2.644621174e+00 3.46 -2.587889703e+00 -2.587889703e+00 3.48 -2.531944212e+00 -2.531944212e+00 3.50 -2.476744666e+00 -2.476744666e+00 3.52 -2.422245772e+00 -2.422245772e+00 3.54 -2.368400959e+00 -2.368400959e+00 3.56 -2.315165429e+00 -2.315165429e+00 3.58 -2.262493462e+00 -2.262493462e+00 3.60 -2.210325620e+00 -2.210325620e+00 3.62 -2.158608296e+00 -2.158608296e+00 3.64 -2.107300059e+00 -2.107300059e+00 3.66 -2.056371038e+00 -2.056371038e+00 3.68 -2.005802439e+00 -2.005802439e+00 3.70 -1.955586309e+00 -1.955586309e+00 3.72 -1.905725711e+00 -1.905725711e+00 3.74 -1.856235360e+00 -1.856235360e+00 3.76 -1.807142655e+00 -1.807142655e+00 3.78 -1.758488862e+00 -1.758488862e+00 3.80 -1.710330023e+00 -1.710330023e+00 3.82 -1.662737047e+00 -1.662737047e+00 3.84 -1.615794437e+00 -1.615794437e+00 3.86 -1.569597233e+00 -1.569597233e+00 3.88 -1.524246092e+00 -1.524246092e+00 3.90 -1.479840853e+00 -1.479840853e+00 3.92 -1.436472152e+00 -1.436472152e+00 3.94 -1.394219737e+00 -1.394219737e+00 3.96 -1.353138974e+00 -1.353138974e+00 3.98 -1.313263324e+00 -1.313263324e+00 4.00 -1.274602108e+00 -1.274602108e+00 4.02 -1.237142081e+00 -1.237142081e+00 4.04 -1.200850702e+00 -1.200850702e+00 4.06 -1.165680380e+00 -1.165680380e+00 4.08 -1.131572946e+00 -1.131572946e+00 4.10 -1.098459480e+00 -1.098459480e+00 4.12 -1.066282043e+00 -1.066282043e+00 4.14 -1.034967696e+00 -1.034967696e+00 4.16 -1.004450740e+00 -1.004450740e+00 4.18 -9.746687011e-01 -9.746687011e-01 4.20 -9.455632352e-01 -9.455632352e-01 4.22 -9.170807391e-01 -9.170807391e-01 4.24 -8.891728199e-01 -8.891728199e-01 4.26 -8.617967486e-01 -8.617967486e-01 4.28 -8.349159820e-01 -8.349159820e-01 4.30 -8.085007949e-01 -8.085007949e-01 4.32 -7.825290173e-01 -7.825290173e-01 4.34 -7.569868244e-01 -7.569868244e-01 4.36 -7.318694785e-01 -7.318694785e-01 4.38 -7.071818831e-01 -7.071818831e-01 4.40 -6.829387855e-01 -6.829387855e-01 4.42 -6.591644616e-01 -6.591644616e-01 4.44 -6.358917521e-01 -6.358917521e-01 4.46 -6.131603850e-01 -6.131603850e-01 4.48 -5.910146205e-01 -5.910146205e-01 4.50 -5.695003660e-01 -5.695003660e-01 4.52 -5.486620156e-01 -5.486620156e-01 4.54 -5.285393331e-01 -5.285393331e-01 4.56 -5.091647139e-01 -5.091647139e-01 4.58 -4.905611083e-01 -4.905611083e-01 4.60 -4.727407915e-01 -4.727407915e-01 4.62 -4.557050336e-01 -4.557050336e-01 4.64 -4.394446034e-01 -4.394446034e-01 4.66 -4.239409392e-01 -4.239409392e-01 4.68 -4.091677681e-01 -4.091677681e-01 4.70 -3.950929445e-01 -3.950929445e-01 4.72 -3.816803053e-01 -3.816803053e-01 4.74 -3.688913870e-01 -3.688913870e-01 4.76 -3.566869035e-01 -3.566869035e-01 4.78 -3.450279364e-01 -3.450279364e-01 4.80 -3.338734761e-01 -3.338734761e-01 4.82 -3.231950298e-01 -3.231950298e-01 4.84 -3.129550689e-01 -3.129550689e-01 4.86 -3.031225685e-01 -3.031225685e-01 4.88 -2.936690066e-01 -2.936690066e-01 4.90 -2.845683049e-01 -2.845683049e-01 4.92 -2.757966967e-01 -2.757966967e-01 4.94 -2.673325272e-01 -2.673325272e-01 4.96 -2.591560619e-01 -2.591560619e-01 4.98 -2.512493656e-01 -2.512493656e-01 5.00 -2.435960268e-01 -2.435960268e-01 5.02 -2.361809680e-01 -2.361809680e-01 5.04 -2.289902742e-01 -2.289902742e-01 5.06 -2.220110401e-01 -2.220110401e-01 5.08 -2.152312388e-01 -2.152312388e-01 5.10 -2.086396118e-01 -2.086396118e-01 5.12 -2.022255827e-01 -2.022255827e-01 5.14 -1.959791943e-01 -1.959791943e-01 5.16 -1.898910703e-01 -1.898910703e-01 5.18 -1.839524012e-01 -1.839524012e-01 5.20 -1.781549562e-01 -1.781549562e-01 5.22 -1.724911190e-01 -1.724911190e-01 5.24 -1.669539485e-01 -1.669539485e-01 5.26 -1.615372598e-01 -1.615372598e-01 5.28 -1.562357237e-01 -1.562357237e-01 5.30 -1.510449767e-01 -1.510449767e-01 5.32 -1.459617320e-01 -1.459617320e-01 5.34 -1.409838814e-01 -1.409838814e-01 5.36 -1.361105717e-01 -1.361105717e-01 5.38 -1.313422409e-01 -1.313422409e-01 5.40 -1.266805980e-01 -1.266805980e-01 5.42 -1.221285333e-01 -1.221285333e-01 5.44 -1.176899519e-01 -1.176899519e-01 5.46 -1.133695323e-01 -1.133695323e-01 5.48 -1.091724062e-01 -1.091724062e-01 5.50 -1.051037962e-01 -1.051037962e-01 5.52 -1.011686328e-01 -1.011686328e-01 5.54 -9.737117904e-02 -9.737117904e-02 5.56 -9.371469649e-02 -9.371469649e-02 5.58 -9.020118197e-02 -9.020118197e-02 5.60 -8.683075073e-02 -8.683075073e-02 5.62 -8.360222036e-02 -8.360222036e-02 5.64 -8.051359155e-02 -8.051359155e-02 5.66 -7.756133557e-02 -7.756133557e-02 5.68 -7.474059528e-02 -7.474059528e-02 5.70 -7.204542983e-02 -7.204542983e-02 5.72 -6.946907432e-02 -6.946907432e-02 5.74 -6.700419314e-02 -6.700419314e-02 5.76 -6.464311114e-02 -6.464311114e-02 5.78 -6.237801302e-02 -6.237801302e-02 5.80 -6.020110634e-02 -6.020110634e-02 5.82 -5.810474820e-02 -5.810474820e-02 5.84 -5.608153828e-02 -5.608153828e-02 5.86 -5.412438324e-02 -5.412438324e-02 5.88 -5.222653806e-02 -5.222653806e-02 5.90 -5.038163041e-02 -5.038163041e-02 5.92 -4.858367369e-02 -4.858367369e-02 5.94 -4.682707375e-02 -4.682707375e-02 5.96 -4.510663395e-02 -4.510663395e-02 5.98 -4.341756194e-02 -4.341756194e-02 6.00 -4.175548116e-02 -4.175548116e-02