# 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 = AuMg2Pb # 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 4.042073830e+02 4.042073830e+02 1.30 3.755380136e+02 3.755380136e+02 1.32 3.489680302e+02 3.489680302e+02 1.34 3.243297112e+02 3.243297112e+02 1.36 3.014699751e+02 3.014699751e+02 1.38 2.802494631e+02 2.802494631e+02 1.40 2.605413512e+02 2.605413512e+02 1.42 2.422300214e+02 2.422300214e+02 1.44 2.252096839e+02 2.252096839e+02 1.46 2.093829886e+02 2.093829886e+02 1.48 1.946599794e+02 1.946599794e+02 1.50 1.809577439e+02 1.809577439e+02 1.52 1.682004198e+02 1.682004198e+02 1.54 1.563189162e+02 1.563189162e+02 1.56 1.452501152e+02 1.452501152e+02 1.58 1.349359005e+02 1.349359005e+02 1.60 1.253223747e+02 1.253223747e+02 1.62 1.163593987e+02 1.163593987e+02 1.64 1.080013859e+02 1.080013859e+02 1.66 1.002160888e+02 1.002160888e+02 1.68 9.297090113e+01 9.297090113e+01 1.70 8.622904149e+01 8.622904149e+01 1.72 7.995445506e+01 7.995445506e+01 1.74 7.411420168e+01 7.411420168e+01 1.76 6.867793737e+01 6.867793737e+01 1.78 6.361758135e+01 6.361758135e+01 1.80 5.890702851e+01 5.890702851e+01 1.82 5.452196626e+01 5.452196626e+01 1.84 5.043978821e+01 5.043978821e+01 1.86 4.663955225e+01 4.663955225e+01 1.88 4.310190515e+01 4.310190515e+01 1.90 3.980894411e+01 3.980894411e+01 1.92 3.674403943e+01 3.674403943e+01 1.94 3.389167240e+01 3.389167240e+01 1.96 3.123729666e+01 3.123729666e+01 1.98 2.876725008e+01 2.876725008e+01 2.00 2.646871585e+01 2.646871585e+01 2.02 2.432972268e+01 2.432972268e+01 2.04 2.233915679e+01 2.233915679e+01 2.06 2.048675749e+01 2.048675749e+01 2.08 1.876308270e+01 1.876308270e+01 2.10 1.715944498e+01 1.715944498e+01 2.12 1.566783359e+01 1.566783359e+01 2.14 1.428082878e+01 1.428082878e+01 2.16 1.299152554e+01 1.299152554e+01 2.18 1.179347069e+01 1.179347069e+01 2.20 1.068061713e+01 1.068061713e+01 2.22 9.647292378e+00 9.647292378e+00 2.24 8.688179512e+00 8.688179512e+00 2.26 7.798305669e+00 7.798305669e+00 2.28 6.973030442e+00 6.973030442e+00 2.30 6.208034798e+00 6.208034798e+00 2.32 5.499295108e+00 5.499295108e+00 2.34 4.843063604e+00 4.843063604e+00 2.36 4.235836380e+00 4.235836380e+00 2.38 3.674329425e+00 3.674329425e+00 2.40 3.155458768e+00 3.155458768e+00 2.42 2.676326295e+00 2.676326295e+00 2.44 2.234212555e+00 2.234212555e+00 2.46 1.826571438e+00 1.826571438e+00 2.48 1.451025572e+00 1.451025572e+00 2.50 1.105358341e+00 1.105358341e+00 2.52 7.875013983e-01 7.875013983e-01 2.54 4.955190964e-01 4.955190964e-01 2.56 2.275932227e-01 2.275932227e-01 2.58 -1.798843534e-02 -1.798843534e-02 2.60 -2.428379535e-01 -2.428379535e-01 2.62 -4.485304486e-01 -4.485304486e-01 2.64 -6.364604469e-01 -6.364604469e-01 2.66 -8.078539874e-01 -8.078539874e-01 2.68 -9.638490881e-01 -9.638490881e-01 2.70 -1.105496262e+00 -1.105496262e+00 2.72 -1.233764881e+00 -1.233764881e+00 2.74 -1.349552233e+00 -1.349552233e+00 2.76 -1.453692849e+00 -1.453692849e+00 2.78 -1.546964617e+00 -1.546964617e+00 2.80 -1.630091919e+00 -1.630091919e+00 2.82 -1.703752935e+00 -1.703752935e+00 2.84 -1.768586729e+00 -1.768586729e+00 2.86 -1.825195076e+00 -1.825195076e+00 2.88 -1.874144798e+00 -1.874144798e+00 2.90 -1.915970317e+00 -1.915970317e+00 2.92 -1.951176571e+00 -1.951176571e+00 2.94 -1.980242352e+00 -1.980242352e+00 2.96 -2.003623927e+00 -2.003623927e+00 2.98 -2.021758676e+00 -2.021758676e+00 3.00 -2.035068297e+00 -2.035068297e+00 3.02 -2.043960983e+00 -2.043960983e+00 3.04 -2.048831228e+00 -2.048831228e+00 3.06 -2.050085008e+00 -2.050085008e+00 3.08 -2.048094904e+00 -2.048094904e+00 3.10 -2.043167343e+00 -2.043167343e+00 3.12 -2.035592742e+00 -2.035592742e+00 3.14 -2.025645015e+00 -2.025645015e+00 3.16 -2.013573875e+00 -2.013573875e+00 3.18 -1.999607766e+00 -1.999607766e+00 3.20 -1.983953510e+00 -1.983953510e+00 3.22 -1.966795785e+00 -1.966795785e+00 3.24 -1.948292163e+00 -1.948292163e+00 3.26 -1.928583906e+00 -1.928583906e+00 3.28 -1.907809428e+00 -1.907809428e+00 3.30 -1.886117829e+00 -1.886117829e+00 3.32 -1.863594327e+00 -1.863594327e+00 3.34 -1.840315536e+00 -1.840315536e+00 3.36 -1.816356048e+00 -1.816356048e+00 3.38 -1.791787395e+00 -1.791787395e+00 3.40 -1.766677141e+00 -1.766677141e+00 3.42 -1.741089721e+00 -1.741089721e+00 3.44 -1.715085071e+00 -1.715085071e+00 3.46 -1.688715928e+00 -1.688715928e+00 3.48 -1.661998202e+00 -1.661998202e+00 3.50 -1.634934689e+00 -1.634934689e+00 3.52 -1.607536599e+00 -1.607536599e+00 3.54 -1.579822147e+00 -1.579822147e+00 3.56 -1.551815311e+00 -1.551815311e+00 3.58 -1.523544791e+00 -1.523544791e+00 3.60 -1.495043187e+00 -1.495043187e+00 3.62 -1.466346364e+00 -1.466346364e+00 3.64 -1.437492986e+00 -1.437492986e+00 3.66 -1.408524137e+00 -1.408524137e+00 3.68 -1.379482951e+00 -1.379482951e+00 3.70 -1.350414177e+00 -1.350414177e+00 3.72 -1.321363613e+00 -1.321363613e+00 3.74 -1.292377388e+00 -1.292377388e+00 3.76 -1.263501108e+00 -1.263501108e+00 3.78 -1.234778960e+00 -1.234778960e+00 3.80 -1.206252832e+00 -1.206252832e+00 3.82 -1.177961571e+00 -1.177961571e+00 3.84 -1.149940415e+00 -1.149940415e+00 3.86 -1.122220631e+00 -1.122220631e+00 3.88 -1.094829315e+00 -1.094829315e+00 3.90 -1.067789349e+00 -1.067789349e+00 3.92 -1.041118934e+00 -1.041118934e+00 3.94 -1.014833906e+00 -1.014833906e+00 3.96 -9.889445729e-01 -9.889445729e-01 3.98 -9.634584534e-01 -9.634584534e-01 4.00 -9.383800753e-01 -9.383800753e-01 4.02 -9.137114745e-01 -9.137114745e-01 4.04 -8.894527353e-01 -8.894527353e-01 4.06 -8.656025401e-01 -8.656025401e-01 4.08 -8.421587033e-01 -8.421587033e-01 4.10 -8.191171105e-01 -8.191171105e-01 4.12 -7.964787527e-01 -7.964787527e-01 4.14 -7.742398377e-01 -7.742398377e-01 4.16 -7.523994464e-01 -7.523994464e-01 4.18 -7.309579599e-01 -7.309579599e-01 4.20 -7.099173400e-01 -7.099173400e-01 4.22 -6.892813102e-01 -6.892813102e-01 4.24 -6.690554052e-01 -6.690554052e-01 4.26 -6.492468538e-01 -6.492468538e-01 4.28 -6.298642778e-01 -6.298642778e-01 4.30 -6.109172021e-01 -6.109172021e-01 4.32 -5.924154006e-01 -5.924154006e-01 4.34 -5.743681307e-01 -5.743681307e-01 4.36 -5.567833295e-01 -5.567833295e-01 4.38 -5.396668584e-01 -5.396668584e-01 4.40 -5.230218788e-01 -5.230218788e-01 4.42 -5.068484231e-01 -5.068484231e-01 4.44 -4.911431958e-01 -4.911431958e-01 4.46 -4.758996052e-01 -4.758996052e-01 4.48 -4.611079978e-01 -4.611079978e-01 4.50 -4.467560451e-01 -4.467560451e-01 4.52 -4.328292246e-01 -4.328292246e-01 4.54 -4.193113387e-01 -4.193113387e-01 4.56 -4.061850235e-01 -4.061850235e-01 4.58 -3.934322171e-01 -3.934322171e-01 4.60 -3.810345687e-01 -3.810345687e-01 4.62 -3.689737834e-01 -3.689737834e-01 4.64 -3.572319089e-01 -3.572319089e-01 4.66 -3.457915732e-01 -3.457915732e-01 4.68 -3.346361867e-01 -3.346361867e-01 4.70 -3.237501229e-01 -3.237501229e-01 4.72 -3.131188861e-01 -3.131188861e-01 4.74 -3.027292766e-01 -3.027292766e-01 4.76 -2.925695551e-01 -2.925695551e-01 4.78 -2.826296056e-01 -2.826296056e-01 4.80 -2.728999595e-01 -2.728999595e-01 4.82 -2.633766539e-01 -2.633766539e-01 4.84 -2.540539552e-01 -2.540539552e-01 4.86 -2.449295797e-01 -2.449295797e-01 4.88 -2.360033353e-01 -2.360033353e-01 4.90 -2.272770384e-01 -2.272770384e-01 4.92 -2.187543349e-01 -2.187543349e-01 4.94 -2.104404205e-01 -2.104404205e-01 4.96 -2.023416623e-01 -2.023416623e-01 4.98 -1.944651386e-01 -1.944651386e-01 5.00 -1.868181228e-01 -1.868181228e-01 5.02 -1.794075477e-01 -1.794075477e-01 5.04 -1.722394930e-01 -1.722394930e-01 5.06 -1.653187371e-01 -1.653187371e-01 5.08 -1.586484098e-01 -1.586484098e-01 5.10 -1.522297703e-01 -1.522297703e-01 5.12 -1.460621219e-01 -1.460621219e-01 5.14 -1.401428576e-01 -1.401428576e-01 5.16 -1.344676189e-01 -1.344676189e-01 5.18 -1.290305417e-01 -1.290305417e-01 5.20 -1.238245548e-01 -1.238245548e-01 5.22 -1.188416988e-01 -1.188416988e-01 5.24 -1.140734375e-01 -1.140734375e-01 5.26 -1.095109386e-01 -1.095109386e-01 5.28 -1.051453086e-01 -1.051453086e-01 5.30 -1.009677768e-01 -1.009677768e-01 5.32 -9.696982675e-02 -9.696982675e-02 5.34 -9.314327974e-02 -9.314327974e-02 5.36 -8.948033838e-02 -8.948033838e-02 5.38 -8.597359757e-02 -8.597359757e-02 5.40 -8.261603145e-02 -8.261603145e-02 5.42 -7.940096296e-02 -7.940096296e-02 5.44 -7.632202139e-02 -7.632202139e-02 5.46 -7.337309228e-02 -7.337309228e-02 5.48 -7.054826355e-02 -7.054826355e-02 5.50 -6.784177135e-02 -6.784177135e-02 5.52 -6.524794978e-02 -6.524794978e-02 5.54 -6.276118812e-02 -6.276118812e-02 5.56 -6.037589885e-02 -6.037589885e-02 5.58 -5.808649922e-02 -5.808649922e-02 5.60 -5.588740743e-02 -5.588740743e-02 5.62 -5.377305324e-02 -5.377305324e-02 5.64 -5.173790299e-02 -5.173790299e-02 5.66 -4.977648992e-02 -4.977648992e-02 5.68 -4.788345377e-02 -4.788345377e-02 5.70 -4.605358534e-02 -4.605358534e-02 5.72 -4.428186976e-02 -4.428186976e-02 5.74 -4.256352718e-02 -4.256352718e-02 5.76 -4.089400223e-02 -4.089400223e-02 5.78 -3.926906496e-02 -3.926906496e-02 5.80 -3.768485184e-02 -3.768485184e-02 5.82 -3.613788556e-02 -3.613788556e-02 5.84 -3.462507276e-02 -3.462507276e-02 5.86 -3.314372340e-02 -3.314372340e-02 5.88 -3.169156747e-02 -3.169156747e-02 5.90 -3.026676804e-02 -3.026676804e-02 5.92 -2.886793016e-02 -2.886793016e-02 5.94 -2.749407802e-02 -2.749407802e-02 5.96 -2.614434714e-02 -2.614434714e-02 5.98 -2.481863690e-02 -2.481863690e-02 6.00 -2.351739193e-02 -2.351739193e-02