# 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 = Ag2CoPb # 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 2.707782360e+02 2.707782360e+02 1.30 2.512811359e+02 2.512811359e+02 1.32 2.332220448e+02 2.332220448e+02 1.34 2.164854725e+02 2.164854725e+02 1.36 2.009655191e+02 2.009655191e+02 1.38 1.865653040e+02 1.865653040e+02 1.40 1.731966926e+02 1.731966926e+02 1.42 1.607800015e+02 1.607800015e+02 1.44 1.492432288e+02 1.492432288e+02 1.46 1.385208157e+02 1.385208157e+02 1.48 1.285524909e+02 1.285524909e+02 1.50 1.192825766e+02 1.192825766e+02 1.52 1.106596034e+02 1.106596034e+02 1.54 1.026359466e+02 1.026359466e+02 1.56 9.516748665e+01 9.516748665e+01 1.58 8.821337589e+01 8.821337589e+01 1.60 8.173587384e+01 8.173587384e+01 1.62 7.570021157e+01 7.570021157e+01 1.64 7.007443876e+01 7.007443876e+01 1.66 6.483397845e+01 6.483397845e+01 1.68 5.995944515e+01 5.995944515e+01 1.70 5.542529593e+01 5.542529593e+01 1.72 5.120745847e+01 5.120745847e+01 1.74 4.728343841e+01 4.728343841e+01 1.76 4.363215263e+01 4.363215263e+01 1.78 4.023390695e+01 4.023390695e+01 1.80 3.707047254e+01 3.707047254e+01 1.82 3.412516615e+01 3.412516615e+01 1.84 3.138283361e+01 3.138283361e+01 1.86 2.882971660e+01 2.882971660e+01 1.88 2.645325888e+01 2.645325888e+01 1.90 2.424189455e+01 2.424189455e+01 1.92 2.218486002e+01 2.218486002e+01 1.94 2.027204328e+01 2.027204328e+01 1.96 1.849387601e+01 1.849387601e+01 1.98 1.684128699e+01 1.684128699e+01 2.00 1.530570420e+01 1.530570420e+01 2.02 1.387907855e+01 1.387907855e+01 2.04 1.255389451e+01 1.255389451e+01 2.06 1.132315757e+01 1.132315757e+01 2.08 1.018036496e+01 1.018036496e+01 2.10 9.119473861e+00 9.119473861e+00 2.12 8.134869595e+00 8.134869595e+00 2.14 7.221334428e+00 7.221334428e+00 2.16 6.374020900e+00 6.374020900e+00 2.18 5.588430804e+00 5.588430804e+00 2.20 4.860397281e+00 4.860397281e+00 2.22 4.186069206e+00 4.186069206e+00 2.24 3.561891021e+00 3.561891021e+00 2.26 2.984577660e+00 2.984577660e+00 2.28 2.451082564e+00 2.451082564e+00 2.30 1.958570425e+00 1.958570425e+00 2.32 1.504383196e+00 1.504383196e+00 2.34 1.086020783e+00 1.086020783e+00 2.36 7.011205491e-01 7.011205491e-01 2.38 3.474475945e-01 3.474475945e-01 2.40 2.289003289e-02 2.289003289e-02 2.42 -2.745422221e-01 -2.745422221e-01 2.44 -5.467181223e-01 -5.467181223e-01 2.46 -7.953877608e-01 -7.953877608e-01 2.48 -1.022195024e+00 -1.022195024e+00 2.50 -1.228712030e+00 -1.228712030e+00 2.52 -1.416339860e+00 -1.416339860e+00 2.54 -1.586392201e+00 -1.586392201e+00 2.56 -1.740122457e+00 -1.740122457e+00 2.58 -1.878730895e+00 -1.878730895e+00 2.60 -2.003366465e+00 -2.003366465e+00 2.62 -2.115120920e+00 -2.115120920e+00 2.64 -2.215017682e+00 -2.215017682e+00 2.66 -2.303957407e+00 -2.303957407e+00 2.68 -2.382722021e+00 -2.382722021e+00 2.70 -2.452020230e+00 -2.452020230e+00 2.72 -2.512492870e+00 -2.512492870e+00 2.74 -2.564721110e+00 -2.564721110e+00 2.76 -2.609236583e+00 -2.609236583e+00 2.78 -2.646530689e+00 -2.646530689e+00 2.80 -2.677063005e+00 -2.677063005e+00 2.82 -2.701357050e+00 -2.701357050e+00 2.84 -2.719913184e+00 -2.719913184e+00 2.86 -2.732938528e+00 -2.732938528e+00 2.88 -2.740649602e+00 -2.740649602e+00 2.90 -2.743277949e+00 -2.743277949e+00 2.92 -2.741067696e+00 -2.741067696e+00 2.94 -2.734275099e+00 -2.734275099e+00 2.96 -2.723169778e+00 -2.723169778e+00 2.98 -2.708037295e+00 -2.708037295e+00 3.00 -2.689189826e+00 -2.689189826e+00 3.02 -2.666965267e+00 -2.666965267e+00 3.04 -2.641714748e+00 -2.641714748e+00 3.06 -2.613827755e+00 -2.613827755e+00 3.08 -2.583635584e+00 -2.583635584e+00 3.10 -2.551441092e+00 -2.551441092e+00 3.12 -2.517528818e+00 -2.517528818e+00 3.14 -2.482159173e+00 -2.482159173e+00 3.16 -2.445560158e+00 -2.445560158e+00 3.18 -2.407929906e+00 -2.407929906e+00 3.20 -2.369438202e+00 -2.369438202e+00 3.22 -2.330227939e+00 -2.330227939e+00 3.24 -2.290413154e+00 -2.290413154e+00 3.26 -2.250091298e+00 -2.250091298e+00 3.28 -2.209348658e+00 -2.209348658e+00 3.30 -2.168262904e+00 -2.168262904e+00 3.32 -2.126905397e+00 -2.126905397e+00 3.34 -2.085343158e+00 -2.085343158e+00 3.36 -2.043640436e+00 -2.043640436e+00 3.38 -2.001859777e+00 -2.001859777e+00 3.40 -1.960062398e+00 -1.960062398e+00 3.42 -1.918308984e+00 -1.918308984e+00 3.44 -1.876658239e+00 -1.876658239e+00 3.46 -1.835167148e+00 -1.835167148e+00 3.48 -1.793890112e+00 -1.793890112e+00 3.50 -1.752878300e+00 -1.752878300e+00 3.52 -1.712179098e+00 -1.712179098e+00 3.54 -1.671835729e+00 -1.671835729e+00 3.56 -1.631887057e+00 -1.631887057e+00 3.58 -1.592367617e+00 -1.592367617e+00 3.60 -1.553307827e+00 -1.553307827e+00 3.62 -1.514734385e+00 -1.514734385e+00 3.64 -1.476670776e+00 -1.476670776e+00 3.66 -1.439137828e+00 -1.439137828e+00 3.68 -1.402154230e+00 -1.402154230e+00 3.70 -1.365736936e+00 -1.365736936e+00 3.72 -1.329901370e+00 -1.329901370e+00 3.74 -1.294661418e+00 -1.294661418e+00 3.76 -1.260029221e+00 -1.260029221e+00 3.78 -1.226014830e+00 -1.226014830e+00 3.80 -1.192625833e+00 -1.192625833e+00 3.82 -1.159867062e+00 -1.159867062e+00 3.84 -1.127740457e+00 -1.127740457e+00 3.86 -1.096245132e+00 -1.096245132e+00 3.88 -1.065377609e+00 -1.065377609e+00 3.90 -1.035132188e+00 -1.035132188e+00 3.92 -1.005501019e+00 -1.005501019e+00 3.94 -9.764758950e-01 -9.764758950e-01 3.96 -9.480463614e-01 -9.480463614e-01 3.98 -9.202015109e-01 -9.202015109e-01 4.00 -8.929297333e-01 -8.929297333e-01 4.02 -8.662188380e-01 -8.662188380e-01 4.04 -8.400561778e-01 -8.400561778e-01 4.06 -8.144288182e-01 -8.144288182e-01 4.08 -7.893237929e-01 -7.893237929e-01 4.10 -7.647274270e-01 -7.647274270e-01 4.12 -7.406302205e-01 -7.406302205e-01 4.14 -7.170205777e-01 -7.170205777e-01 4.16 -6.938903657e-01 -6.938903657e-01 4.18 -6.712343870e-01 -6.712343870e-01 4.20 -6.490510855e-01 -6.490510855e-01 4.22 -6.273430936e-01 -6.273430936e-01 4.24 -6.061175025e-01 -6.061175025e-01 4.26 -5.853857422e-01 -5.853857422e-01 4.28 -5.651629966e-01 -5.651629966e-01 4.30 -5.454671360e-01 -5.454671360e-01 4.32 -5.263172332e-01 -5.263172332e-01 4.34 -5.077318038e-01 -5.077318038e-01 4.36 -4.897269735e-01 -4.897269735e-01 4.38 -4.723147949e-01 -4.723147949e-01 4.40 -4.555019121e-01 -4.555019121e-01 4.42 -4.392887106e-01 -4.392887106e-01 4.44 -4.236690042e-01 -4.236690042e-01 4.46 -4.086302322e-01 -4.086302322e-01 4.48 -3.941540726e-01 -3.941540726e-01 4.50 -3.802173438e-01 -3.802173438e-01 4.52 -3.667930569e-01 -3.667930569e-01 4.54 -3.538514994e-01 -3.538514994e-01 4.56 -3.413612556e-01 -3.413612556e-01 4.58 -3.292901076e-01 -3.292901076e-01 4.60 -3.176057872e-01 -3.176057872e-01 4.62 -3.062765813e-01 -3.062765813e-01 4.64 -2.952718051e-01 -2.952718051e-01 4.66 -2.845621741e-01 -2.845621741e-01 4.68 -2.741201081e-01 -2.741201081e-01 4.70 -2.639199981e-01 -2.639199981e-01 4.72 -2.539384678e-01 -2.539384678e-01 4.74 -2.441546492e-01 -2.441546492e-01 4.76 -2.345504871e-01 -2.345504871e-01 4.78 -2.251110736e-01 -2.251110736e-01 4.80 -2.158242379e-01 -2.158242379e-01 4.82 -2.066840810e-01 -2.066840810e-01 4.84 -1.976863158e-01 -1.976863158e-01 4.86 -1.888319642e-01 -1.888319642e-01 4.88 -1.801265412e-01 -1.801265412e-01 4.90 -1.715799597e-01 -1.715799597e-01 4.92 -1.632062037e-01 -1.632062037e-01 4.94 -1.550227451e-01 -1.550227451e-01 4.96 -1.470497096e-01 -1.470497096e-01 4.98 -1.393088256e-01 -1.393088256e-01 5.00 -1.318222278e-01 -1.318222278e-01 5.02 -1.246112046e-01 -1.246112046e-01 5.04 -1.176950002e-01 -1.176950002e-01 5.06 -1.110897757e-01 -1.110897757e-01 5.08 -1.048078090e-01 -1.048078090e-01 5.10 -9.885699040e-02 -9.885699040e-02 5.12 -9.324062616e-02 -9.324062616e-02 5.14 -8.795754119e-02 -8.795754119e-02 5.16 -8.300243225e-02 -8.300243225e-02 5.18 -7.836640750e-02 -7.836640750e-02 5.20 -7.403740321e-02 -7.403740321e-02 5.22 -7.000098442e-02 -7.000098442e-02 5.24 -6.624193655e-02 -6.624193655e-02 5.26 -6.274398271e-02 -6.274398271e-02 5.28 -5.949032692e-02 -5.949032692e-02 5.30 -5.646412865e-02 -5.646412865e-02 5.32 -5.364886022e-02 -5.364886022e-02 5.34 -5.102855726e-02 -5.102855726e-02 5.36 -4.858791969e-02 -4.858791969e-02 5.38 -4.631245844e-02 -4.631245844e-02 5.40 -4.418866955e-02 -4.418866955e-02 5.42 -4.220387602e-02 -4.220387602e-02 5.44 -4.034621346e-02 -4.034621346e-02 5.46 -3.860460641e-02 -3.860460641e-02 5.48 -3.696873841e-02 -3.696873841e-02 5.50 -3.542901989e-02 -3.542901989e-02 5.52 -3.397655581e-02 -3.397655581e-02 5.54 -3.260311370e-02 -3.260311370e-02 5.56 -3.130109209e-02 -3.130109209e-02 5.58 -3.006348907e-02 -3.006348907e-02 5.60 -2.888387084e-02 -2.888387084e-02 5.62 -2.775634030e-02 -2.775634030e-02 5.64 -2.667550557e-02 -2.667550557e-02 5.66 -2.563644969e-02 -2.563644969e-02 5.68 -2.463470162e-02 -2.463470162e-02 5.70 -2.366620922e-02 -2.366620922e-02 5.72 -2.272731502e-02 -2.272731502e-02 5.74 -2.181473510e-02 -2.181473510e-02 5.76 -2.092554176e-02 -2.092554176e-02 5.78 -2.005715000e-02 -2.005715000e-02 5.80 -1.920730785e-02 -1.920730785e-02 5.82 -1.837409040e-02 -1.837409040e-02 5.84 -1.755589698e-02 -1.755589698e-02 5.86 -1.675145065e-02 -1.675145065e-02 5.88 -1.595979911e-02 -1.595979911e-02 5.90 -1.518031570e-02 -1.518031570e-02 5.92 -1.441269893e-02 -1.441269893e-02 5.94 -1.365695216e-02 -1.365695216e-02 5.96 -1.291331112e-02 -1.291331112e-02 5.98 -1.218241622e-02 -1.218241622e-02 6.00 -1.146520429e-02 -1.146520429e-02