# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CrFeNi2 # 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 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 2.659897772e+04 2.659897772e+04 1.12 2.138565318e+04 2.138565318e+04 1.14 1.725688110e+04 1.725688110e+04 1.16 1.397398537e+04 1.397398537e+04 1.18 1.135363542e+04 1.135363542e+04 1.20 9.254374466e+03 9.254374466e+03 1.22 7.566578867e+03 7.566578867e+03 1.24 6.204935163e+03 6.204935163e+03 1.26 5.102778514e+03 5.102778514e+03 1.28 4.207810500e+03 4.207810500e+03 1.30 3.478845196e+03 3.478845196e+03 1.32 2.883329123e+03 2.883329123e+03 1.34 2.395440161e+03 2.395440161e+03 1.36 1.994623804e+03 1.994623804e+03 1.38 1.664464174e+03 1.664464174e+03 1.40 1.391808503e+03 1.391808503e+03 1.42 1.166084755e+03 1.166084755e+03 1.44 9.787690986e+02 9.787690986e+02 1.46 8.229693401e+02 8.229693401e+02 1.48 6.930967956e+02 6.930967956e+02 1.50 5.846074643e+02 5.846074643e+02 1.52 4.937963139e+02 4.937963139e+02 1.54 4.176344823e+02 4.176344823e+02 1.56 3.536394736e+02 3.536394736e+02 1.58 2.997714581e+02 2.997714581e+02 1.60 2.543506894e+02 2.543506894e+02 1.62 2.159904807e+02 2.159904807e+02 1.64 1.835429544e+02 1.835429544e+02 1.66 1.560561159e+02 1.560561159e+02 1.68 1.327388318e+02 1.327388318e+02 1.70 1.129323081e+02 1.129323081e+02 1.72 9.608695915e+01 9.608695915e+01 1.74 8.174350539e+01 8.174350539e+01 1.76 6.951728885e+01 6.951728885e+01 1.78 5.908535508e+01 5.908535508e+01 1.80 5.017620193e+01 5.017620193e+01 1.82 4.256128909e+01 4.256128909e+01 1.84 3.604781285e+01 3.604781285e+01 1.86 3.047291743e+01 3.047291743e+01 1.88 2.569891260e+01 2.569891260e+01 1.90 2.160925250e+01 2.160925250e+01 1.92 1.810518864e+01 1.810518864e+01 1.94 1.510279140e+01 1.510279140e+01 1.96 1.253046638e+01 1.253046638e+01 1.98 1.032697107e+01 1.032697107e+01 2.00 8.440022069e+00 8.440022069e+00 2.02 6.824977844e+00 6.824977844e+00 2.04 5.443691326e+00 5.443691326e+00 2.06 4.263433983e+00 4.263433983e+00 2.08 3.256157814e+00 3.256157814e+00 2.10 2.397807484e+00 2.397807484e+00 2.12 1.667716659e+00 1.667716659e+00 2.14 1.048122451e+00 1.048122451e+00 2.16 5.237553600e-01 5.237553600e-01 2.18 8.149241629e-02 8.149241629e-02 2.20 -2.899364195e-01 -2.899364195e-01 2.22 -6.002377947e-01 -6.002377947e-01 2.24 -8.579058166e-01 -8.579058166e-01 2.26 -1.070304798e+00 -1.070304798e+00 2.28 -1.243789695e+00 -1.243789695e+00 2.30 -1.383845519e+00 -1.383845519e+00 2.32 -1.495200064e+00 -1.495200064e+00 2.34 -1.581920437e+00 -1.581920437e+00 2.36 -1.647551084e+00 -1.647551084e+00 2.38 -1.695232302e+00 -1.695232302e+00 2.40 -1.727692770e+00 -1.727692770e+00 2.42 -1.747294668e+00 -1.747294668e+00 2.44 -1.756078328e+00 -1.756078328e+00 2.46 -1.755800370e+00 -1.755800370e+00 2.48 -1.747966223e+00 -1.747966223e+00 2.50 -1.733857847e+00 -1.733857847e+00 2.52 -1.714557304e+00 -1.714557304e+00 2.54 -1.690966777e+00 -1.690966777e+00 2.56 -1.663825642e+00 -1.663825642e+00 2.58 -1.633757236e+00 -1.633757236e+00 2.60 -1.601328589e+00 -1.601328589e+00 2.62 -1.567005980e+00 -1.567005980e+00 2.64 -1.531174637e+00 -1.531174637e+00 2.66 -1.494211161e+00 -1.494211161e+00 2.68 -1.456458702e+00 -1.456458702e+00 2.70 -1.418210092e+00 -1.418210092e+00 2.72 -1.379699389e+00 -1.379699389e+00 2.74 -1.341111452e+00 -1.341111452e+00 2.76 -1.302602219e+00 -1.302602219e+00 2.78 -1.264303003e+00 -1.264303003e+00 2.80 -1.226323610e+00 -1.226323610e+00 2.82 -1.188754987e+00 -1.188754987e+00 2.84 -1.151671444e+00 -1.151671444e+00 2.86 -1.115132511e+00 -1.115132511e+00 2.88 -1.079189151e+00 -1.079189151e+00 2.90 -1.043895367e+00 -1.043895367e+00 2.92 -1.009300060e+00 -1.009300060e+00 2.94 -9.754457538e-01 -9.754457538e-01 2.96 -9.423694227e-01 -9.423694227e-01 2.98 -9.101031502e-01 -9.101031502e-01 3.00 -8.786746472e-01 -8.786746472e-01 3.02 -8.481076446e-01 -8.481076446e-01 3.04 -8.184221762e-01 -8.184221762e-01 3.06 -7.896347653e-01 -7.896347653e-01 3.08 -7.617585279e-01 -7.617585279e-01 3.10 -7.348032013e-01 -7.348032013e-01 3.12 -7.087751087e-01 -7.087751087e-01 3.14 -6.836770666e-01 -6.836770666e-01 3.16 -6.595081900e-01 -6.595081900e-01 3.18 -6.362602259e-01 -6.362602259e-01 3.20 -6.139158119e-01 -6.139158119e-01 3.22 -5.924540932e-01 -5.924540932e-01 3.24 -5.718509421e-01 -5.718509421e-01 3.26 -5.520785803e-01 -5.520785803e-01 3.28 -5.331051774e-01 -5.331051774e-01 3.30 -5.148944292e-01 -5.148944292e-01 3.32 -4.974080965e-01 -4.974080965e-01 3.34 -4.806153526e-01 -4.806153526e-01 3.36 -4.644849604e-01 -4.644849604e-01 3.38 -4.489821621e-01 -4.489821621e-01 3.40 -4.340683271e-01 -4.340683271e-01 3.42 -4.197005896e-01 -4.197005896e-01 3.44 -4.058314796e-01 -4.058314796e-01 3.46 -3.924108002e-01 -3.924108002e-01 3.48 -3.794107819e-01 -3.794107819e-01 3.50 -3.668205448e-01 -3.668205448e-01 3.52 -3.546302509e-01 -3.546302509e-01 3.54 -3.428307557e-01 -3.428307557e-01 3.56 -3.314135425e-01 -3.314135425e-01 3.58 -3.203706536e-01 -3.203706536e-01 3.60 -3.096946182e-01 -3.096946182e-01 3.62 -2.993783793e-01 -2.993783793e-01 3.64 -2.894152176e-01 -2.894152176e-01 3.66 -2.797986748e-01 -2.797986748e-01 3.68 -2.705224749e-01 -2.705224749e-01 3.70 -2.615804442e-01 -2.615804442e-01 3.72 -2.529664314e-01 -2.529664314e-01 3.74 -2.446742255e-01 -2.446742255e-01 3.76 -2.366974743e-01 -2.366974743e-01 3.78 -2.290296018e-01 -2.290296018e-01 3.80 -2.216637250e-01 -2.216637250e-01 3.82 -2.145925710e-01 -2.145925710e-01 3.84 -2.078083934e-01 -2.078083934e-01 3.86 -2.013028889e-01 -2.013028889e-01 3.88 -1.950671130e-01 -1.950671130e-01 3.90 -1.890913973e-01 -1.890913973e-01 3.92 -1.833652646e-01 -1.833652646e-01 3.94 -1.778773461e-01 -1.778773461e-01 3.96 -1.726152975e-01 -1.726152975e-01 3.98 -1.675657154e-01 -1.675657154e-01 4.00 -1.627140537e-01 -1.627140537e-01 4.02 -1.580445412e-01 -1.580445412e-01 4.04 -1.535400973e-01 -1.535400973e-01 4.06 -1.491841090e-01 -1.491841090e-01 4.08 -1.449685379e-01 -1.449685379e-01 4.10 -1.408884151e-01 -1.408884151e-01 4.12 -1.369389577e-01 -1.369389577e-01 4.14 -1.331155615e-01 -1.331155615e-01 4.16 -1.294137937e-01 -1.294137937e-01 4.18 -1.258293868e-01 -1.258293868e-01 4.20 -1.223582326e-01 -1.223582326e-01 4.22 -1.189963761e-01 -1.189963761e-01 4.24 -1.157400095e-01 -1.157400095e-01 4.26 -1.125854671e-01 -1.125854671e-01 4.28 -1.095292196e-01 -1.095292196e-01 4.30 -1.065678689e-01 -1.065678689e-01 4.32 -1.036981433e-01 -1.036981433e-01 4.34 -1.009168924e-01 -1.009168924e-01 4.36 -9.822108273e-02 -9.822108273e-02 4.38 -9.560779294e-02 -9.560779294e-02 4.40 -9.307420975e-02 -9.307420975e-02 4.42 -9.061762368e-02 -9.061762368e-02 4.44 -8.823542507e-02 -8.823542507e-02 4.46 -8.592510022e-02 -8.592510022e-02 4.48 -8.368393070e-02 -8.368393070e-02 4.50 -8.150815383e-02 -8.150815383e-02 4.52 -7.939395622e-02 -7.939395622e-02 4.54 -7.733778000e-02 -7.733778000e-02 4.56 -7.533631385e-02 -7.533631385e-02 4.58 -7.338648421e-02 -7.338648421e-02 4.60 -7.148544644e-02 -7.148544644e-02 4.62 -6.963057616e-02 -6.963057616e-02 4.64 -6.781946065e-02 -6.781946065e-02 4.66 -6.604989030e-02 -6.604989030e-02 4.68 -6.431985011e-02 -6.431985011e-02 4.70 -6.262751134e-02 -6.262751134e-02 4.72 -6.097122315e-02 -6.097122315e-02 4.74 -5.934950431e-02 -5.934950431e-02 4.76 -5.776103506e-02 -5.776103506e-02 4.78 -5.620464886e-02 -5.620464886e-02 4.80 -5.467932439e-02 -5.467932439e-02 4.82 -5.318417748e-02 -5.318417748e-02 4.84 -5.171845309e-02 -5.171845309e-02 4.86 -5.028151747e-02 -5.028151747e-02 4.88 -4.887285015e-02 -4.887285015e-02 4.90 -4.749203624e-02 -4.749203624e-02 4.92 -4.613875852e-02 -4.613875852e-02 4.94 -4.481278979e-02 -4.481278979e-02 4.96 -4.351398508e-02 -4.351398508e-02 4.98 -4.224227406e-02 -4.224227406e-02 5.00 -4.099765336e-02 -4.099765336e-02 5.02 -3.978017903e-02 -3.978017903e-02 5.04 -3.858995893e-02 -3.858995893e-02 5.06 -3.742714527e-02 -3.742714527e-02 5.08 -3.629192707e-02 -3.629192707e-02 5.10 -3.518452275e-02 -3.518452275e-02 5.12 -3.410517269e-02 -3.410517269e-02 5.14 -3.305413184e-02 -3.305413184e-02 5.16 -3.203162962e-02 -3.203162962e-02 5.18 -3.103716180e-02 -3.103716180e-02 5.20 -3.006956439e-02 -3.006956439e-02 5.22 -2.912775818e-02 -2.912775818e-02 5.24 -2.821077126e-02 -2.821077126e-02 5.26 -2.731772802e-02 -2.731772802e-02 5.28 -2.644783814e-02 -2.644783814e-02 5.30 -2.560038562e-02 -2.560038562e-02 5.32 -2.477471780e-02 -2.477471780e-02 5.34 -2.397023434e-02 -2.397023434e-02 5.36 -2.318637626e-02 -2.318637626e-02 5.38 -2.242261493e-02 -2.242261493e-02 5.40 -2.167844110e-02 -2.167844110e-02 5.42 -2.095335389e-02 -2.095335389e-02 5.44 -2.024684983e-02 -2.024684983e-02 5.46 -1.955841183e-02 -1.955841183e-02 5.48 -1.888749825e-02 -1.888749825e-02 5.50 -1.823353185e-02 -1.823353185e-02 5.52 -1.759588882e-02 -1.759588882e-02 5.54 -1.697388782e-02 -1.697388782e-02 5.56 -1.636677897e-02 -1.636677897e-02 5.58 -1.577373283e-02 -1.577373283e-02 5.60 -1.519382948e-02 -1.519382948e-02 5.62 -1.462604746e-02 -1.462604746e-02 5.64 -1.406925284e-02 -1.406925284e-02 5.66 -1.352218819e-02 -1.352218819e-02 5.68 -1.298346160e-02 -1.298346160e-02 5.70 -1.245153571e-02 -1.245153571e-02 5.72 -1.192472064e-02 -1.192472064e-02 5.74 -1.140189966e-02 -1.140189966e-02 5.76 -1.088347252e-02 -1.088347252e-02 5.78 -1.037006741e-02 -1.037006741e-02 5.80 -9.862336815e-03 -9.862336815e-03 5.82 -9.360953191e-03 -9.360953191e-03 5.84 -8.866604661e-03 -8.866604661e-03 5.86 -8.379990677e-03 -8.379990677e-03 5.88 -7.901817702e-03 -7.901817702e-03 5.90 -7.432794878e-03 -7.432794878e-03 5.92 -6.973629712e-03 -6.973629712e-03 5.94 -6.525023742e-03 -6.525023742e-03 5.96 -6.087668219e-03 -6.087668219e-03 5.98 -5.662239778e-03 -5.662239778e-03 6.00 -5.249396121e-03 -5.249396121e-03