# 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 = Al2CoNi # 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 9.447835217e+01 9.447835217e+01 1.30 8.728772162e+01 8.728772162e+01 1.32 8.063031555e+01 8.063031555e+01 1.34 7.446215492e+01 7.446215492e+01 1.36 6.874388133e+01 6.874388133e+01 1.38 6.344141366e+01 6.344141366e+01 1.40 5.852497062e+01 5.852497062e+01 1.42 5.396719161e+01 5.396719161e+01 1.44 4.974130598e+01 4.974130598e+01 1.46 4.582034368e+01 4.582034368e+01 1.48 4.217799826e+01 4.217799826e+01 1.50 3.879047885e+01 3.879047885e+01 1.52 3.563776640e+01 3.563776640e+01 1.54 3.270337646e+01 3.270337646e+01 1.56 2.997313940e+01 2.997313940e+01 1.58 2.743408449e+01 2.743408449e+01 1.60 2.507428624e+01 2.507428624e+01 1.62 2.288138154e+01 2.288138154e+01 1.64 2.084519369e+01 2.084519369e+01 1.66 1.895565752e+01 1.895565752e+01 1.68 1.720084450e+01 1.720084450e+01 1.70 1.556970868e+01 1.556970868e+01 1.72 1.405241380e+01 1.405241380e+01 1.74 1.264036617e+01 1.264036617e+01 1.76 1.132599702e+01 1.132599702e+01 1.78 1.010254608e+01 1.010254608e+01 1.80 8.963991208e+00 8.963991208e+00 1.82 7.905056782e+00 7.905056782e+00 1.84 6.921165944e+00 6.921165944e+00 1.86 6.008280607e+00 6.008280607e+00 1.88 5.162662329e+00 5.162662329e+00 1.90 4.380621511e+00 4.380621511e+00 1.92 3.658319103e+00 3.658319103e+00 1.94 2.991672153e+00 2.991672153e+00 1.96 2.376390306e+00 2.376390306e+00 1.98 1.808132954e+00 1.808132954e+00 2.00 1.282738484e+00 1.282738484e+00 2.02 7.964523557e-01 7.964523557e-01 2.04 3.460757267e-01 3.460757267e-01 2.06 -7.101469300e-02 -7.101469300e-02 2.08 -4.569654730e-01 -4.569654730e-01 2.10 -8.136038626e-01 -8.136038626e-01 2.12 -1.142586787e+00 -1.142586787e+00 2.14 -1.445501907e+00 -1.445501907e+00 2.16 -1.723912906e+00 -1.723912906e+00 2.18 -1.979361003e+00 -1.979361003e+00 2.20 -2.213342191e+00 -2.213342191e+00 2.22 -2.427279037e+00 -2.427279037e+00 2.24 -2.622499284e+00 -2.622499284e+00 2.26 -2.800225115e+00 -2.800225115e+00 2.28 -2.961571484e+00 -2.961571484e+00 2.30 -3.107550481e+00 -3.107550481e+00 2.32 -3.239079009e+00 -3.239079009e+00 2.34 -3.356986290e+00 -3.356986290e+00 2.36 -3.462019049e+00 -3.462019049e+00 2.38 -3.554845031e+00 -3.554845031e+00 2.40 -3.636059731e+00 -3.636059731e+00 2.42 -3.706201702e+00 -3.706201702e+00 2.44 -3.765793029e+00 -3.765793029e+00 2.46 -3.815365663e+00 -3.815365663e+00 2.48 -3.855418001e+00 -3.855418001e+00 2.50 -3.886502694e+00 -3.886502694e+00 2.52 -3.909243044e+00 -3.909243044e+00 2.54 -3.924338974e+00 -3.924338974e+00 2.56 -3.932568224e+00 -3.932568224e+00 2.58 -3.934779298e+00 -3.934779298e+00 2.60 -3.931854031e+00 -3.931854031e+00 2.62 -3.925083214e+00 -3.925083214e+00 2.64 -3.916029201e+00 -3.916029201e+00 2.66 -3.904720889e+00 -3.904720889e+00 2.68 -3.891167618e+00 -3.891167618e+00 2.70 -3.875374638e+00 -3.875374638e+00 2.72 -3.857322573e+00 -3.857322573e+00 2.74 -3.836967218e+00 -3.836967218e+00 2.76 -3.814249294e+00 -3.814249294e+00 2.78 -3.789105483e+00 -3.789105483e+00 2.80 -3.761487687e+00 -3.761487687e+00 2.82 -3.731369148e+00 -3.731369148e+00 2.84 -3.698724296e+00 -3.698724296e+00 2.86 -3.663529324e+00 -3.663529324e+00 2.88 -3.625765781e+00 -3.625765781e+00 2.90 -3.585426225e+00 -3.585426225e+00 2.92 -3.542522024e+00 -3.542522024e+00 2.94 -3.497093184e+00 -3.497093184e+00 2.96 -3.449219785e+00 -3.449219785e+00 2.98 -3.399033798e+00 -3.399033798e+00 3.00 -3.346729060e+00 -3.346729060e+00 3.02 -3.292566189e+00 -3.292566189e+00 3.04 -3.236869193e+00 -3.236869193e+00 3.06 -3.180011810e+00 -3.180011810e+00 3.08 -3.122394093e+00 -3.122394093e+00 3.10 -3.064413192e+00 -3.064413192e+00 3.12 -3.006434000e+00 -3.006434000e+00 3.14 -2.948765785e+00 -2.948765785e+00 3.16 -2.891648572e+00 -2.891648572e+00 3.18 -2.835250455e+00 -2.835250455e+00 3.20 -2.779673811e+00 -2.779673811e+00 3.22 -2.724967152e+00 -2.724967152e+00 3.24 -2.671139060e+00 -2.671139060e+00 3.26 -2.618171506e+00 -2.618171506e+00 3.28 -2.566030948e+00 -2.566030948e+00 3.30 -2.514676647e+00 -2.514676647e+00 3.32 -2.464066363e+00 -2.464066363e+00 3.34 -2.414159909e+00 -2.414159909e+00 3.36 -2.364921159e+00 -2.364921159e+00 3.38 -2.316319027e+00 -2.316319027e+00 3.40 -2.268327794e+00 -2.268327794e+00 3.42 -2.220927056e+00 -2.220927056e+00 3.44 -2.174101369e+00 -2.174101369e+00 3.46 -2.127839758e+00 -2.127839758e+00 3.48 -2.082135079e+00 -2.082135079e+00 3.50 -2.036983301e+00 -2.036983301e+00 3.52 -1.992382759e+00 -1.992382759e+00 3.54 -1.948333431e+00 -1.948333431e+00 3.56 -1.904836274e+00 -1.904836274e+00 3.58 -1.861892651e+00 -1.861892651e+00 3.60 -1.819503868e+00 -1.819503868e+00 3.62 -1.777670822e+00 -1.777670822e+00 3.64 -1.736393776e+00 -1.736393776e+00 3.66 -1.695672267e+00 -1.695672267e+00 3.68 -1.655505156e+00 -1.655505156e+00 3.70 -1.615890838e+00 -1.615890838e+00 3.72 -1.576827599e+00 -1.576827599e+00 3.74 -1.538314093e+00 -1.538314093e+00 3.76 -1.500349887e+00 -1.500349887e+00 3.78 -1.462935969e+00 -1.462935969e+00 3.80 -1.426075126e+00 -1.426075126e+00 3.82 -1.389772037e+00 -1.389772037e+00 3.84 -1.354033013e+00 -1.354033013e+00 3.86 -1.318865272e+00 -1.318865272e+00 3.88 -1.284275805e+00 -1.284275805e+00 3.90 -1.250269899e+00 -1.250269899e+00 3.92 -1.216849503e+00 -1.216849503e+00 3.94 -1.184011723e+00 -1.184011723e+00 3.96 -1.151747561e+00 -1.151747561e+00 3.98 -1.120041244e+00 -1.120041244e+00 4.00 -1.088870124e+00 -1.088870124e+00 4.02 -1.058205207e+00 -1.058205207e+00 4.04 -1.028012239e+00 -1.028012239e+00 4.06 -9.982532301e-01 -9.982532301e-01 4.08 -9.688883144e-01 -9.688883144e-01 4.10 -9.398778200e-01 -9.398778200e-01 4.12 -9.111845875e-01 -9.111845875e-01 4.14 -8.827761960e-01 -8.827761960e-01 4.16 -8.546273943e-01 -8.546273943e-01 4.18 -8.267223449e-01 -8.267223449e-01 4.20 -7.990566474e-01 -7.990566474e-01 4.22 -7.716389193e-01 -7.716389193e-01 4.24 -7.444917080e-01 -7.444917080e-01 4.26 -7.176515084e-01 -7.176515084e-01 4.28 -6.911677262e-01 -6.911677262e-01 4.30 -6.651005359e-01 -6.651005359e-01 4.32 -6.395177363e-01 -6.395177363e-01 4.34 -6.144908669e-01 -6.144908669e-01 4.36 -5.900909737e-01 -5.900909737e-01 4.38 -5.663844698e-01 -5.663844698e-01 4.40 -5.434295043e-01 -5.434295043e-01 4.42 -5.212731397e-01 -5.212731397e-01 4.44 -4.999494845e-01 -4.999494845e-01 4.46 -4.794787673e-01 -4.794787673e-01 4.48 -4.598672206e-01 -4.598672206e-01 4.50 -4.411075839e-01 -4.411075839e-01 4.52 -4.231800332e-01 -4.231800332e-01 4.54 -4.060533859e-01 -4.060533859e-01 4.56 -3.896864803e-01 -3.896864803e-01 4.58 -3.740296779e-01 -3.740296779e-01 4.60 -3.590264611e-01 -3.590264611e-01 4.62 -3.446151081e-01 -3.446151081e-01 4.64 -3.307304201e-01 -3.307304201e-01 4.66 -3.173054716e-01 -3.173054716e-01 4.68 -3.042733488e-01 -3.042733488e-01 4.70 -2.915688469e-01 -2.915688469e-01 4.72 -2.791301061e-01 -2.791301061e-01 4.74 -2.669001721e-01 -2.669001721e-01 4.76 -2.548284816e-01 -2.548284816e-01 4.78 -2.428722600e-01 -2.428722600e-01 4.80 -2.309977968e-01 -2.309977968e-01 4.82 -2.191816399e-01 -2.191816399e-01 4.84 -2.074114693e-01 -2.074114693e-01 4.86 -1.956868012e-01 -1.956868012e-01 4.88 -1.840192486e-01 -1.840192486e-01 4.90 -1.724323132e-01 -1.724323132e-01 4.92 -1.609606004e-01 -1.609606004e-01 4.94 -1.496484141e-01 -1.496484141e-01 4.96 -1.385477442e-01 -1.385477442e-01 4.98 -1.277155909e-01 -1.277155909e-01 5.00 -1.172110537e-01 -1.172110537e-01 5.02 -1.070928574e-01 -1.070928574e-01 5.04 -9.741583403e-02 -9.741583403e-02 5.06 -8.822822413e-02 -8.822822413e-02 5.08 -7.956953777e-02 -7.956953777e-02 5.10 -7.146908572e-02 -7.146908572e-02 5.12 -6.394524105e-02 -6.394524105e-02 5.14 -5.700541209e-02 -5.700541209e-02 5.16 -5.064663905e-02 -5.064663905e-02 5.18 -4.485667996e-02 -4.485667996e-02 5.20 -3.961542871e-02 -3.961542871e-02 5.22 -3.489650787e-02 -3.489650787e-02 5.24 -3.066889675e-02 -3.066889675e-02 5.26 -2.689848306e-02 -2.689848306e-02 5.28 -2.354945984e-02 -2.354945984e-02 5.30 -2.058551703e-02 -2.058551703e-02 5.32 -1.797081423e-02 -1.797081423e-02 5.34 -1.567073116e-02 -1.567073116e-02 5.36 -1.365240889e-02 -1.365240889e-02 5.38 -1.188481547e-02 -1.188481547e-02 5.40 -1.033962423e-02 -1.033962423e-02 5.42 -8.991115767e-03 -8.991115767e-03 5.44 -7.815889947e-03 -7.815889947e-03 5.46 -6.792844464e-03 -6.792844464e-03 5.48 -5.903088331e-03 -5.903088331e-03 5.50 -5.129813102e-03 -5.129813102e-03 5.52 -4.458139305e-03 -4.458139305e-03 5.54 -3.874951045e-03 -3.874951045e-03 5.56 -3.368728055e-03 -3.368728055e-03 5.58 -2.929381592e-03 -2.929381592e-03 5.60 -2.548098384e-03 -2.548098384e-03 5.62 -2.217195149e-03 -2.217195149e-03 5.64 -1.929985030e-03 -1.929985030e-03 5.66 -1.680656398e-03 -1.680656398e-03 5.68 -1.464163938e-03 -1.464163938e-03 5.70 -1.276131490e-03 -1.276131490e-03 5.72 -1.112765925e-03 -1.112765925e-03 5.74 -9.707811842e-04 -9.707811842e-04 5.76 -8.473315617e-04 -8.473315617e-04 5.78 -7.399533050e-04 -7.399533050e-04 5.80 -6.465136440e-04 -6.465136440e-04 5.82 -5.651664057e-04 -5.651664057e-04 5.84 -4.943134384e-04 -4.943134384e-04 5.86 -4.325711378e-04 -4.325711378e-04 5.88 -3.787414371e-04 -3.787414371e-04 5.90 -3.317866917e-04 -3.317866917e-04 5.92 -2.908079534e-04 -2.908079534e-04 5.94 -2.550261870e-04 -2.550261870e-04 5.96 -2.237660405e-04 -2.237660405e-04 5.98 -1.964418245e-04 -1.964418245e-04 6.00 -1.725454037e-04 -1.725454037e-04