# 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 = AlNiZr2 # 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 2.187920547e+02 2.187920547e+02 1.30 2.031710314e+02 2.031710314e+02 1.32 1.886787437e+02 1.886787437e+02 1.34 1.752257844e+02 1.752257844e+02 1.36 1.627315404e+02 1.627315404e+02 1.38 1.511243779e+02 1.511243779e+02 1.40 1.403401660e+02 1.403401660e+02 1.42 1.303195248e+02 1.303195248e+02 1.44 1.210054530e+02 1.210054530e+02 1.46 1.123427689e+02 1.123427689e+02 1.48 1.042793872e+02 1.042793872e+02 1.50 9.676797138e+01 9.676797138e+01 1.52 8.976662560e+01 8.976662560e+01 1.54 8.323834796e+01 8.323834796e+01 1.56 7.715000736e+01 7.715000736e+01 1.58 7.147148093e+01 7.147148093e+01 1.60 6.617501756e+01 6.617501756e+01 1.62 6.123469767e+01 6.123469767e+01 1.64 5.662604497e+01 5.662604497e+01 1.66 5.232581440e+01 5.232581440e+01 1.68 4.831201084e+01 4.831201084e+01 1.70 4.456416120e+01 4.456416120e+01 1.72 4.106350794e+01 4.106350794e+01 1.74 3.779302328e+01 3.779302328e+01 1.76 3.473722419e+01 3.473722419e+01 1.78 3.188197033e+01 3.188197033e+01 1.80 2.921427035e+01 2.921427035e+01 1.82 2.672213388e+01 2.672213388e+01 1.84 2.439434347e+01 2.439434347e+01 1.86 2.222034513e+01 2.222034513e+01 1.88 2.019050538e+01 2.019050538e+01 1.90 1.829618584e+01 1.829618584e+01 1.92 1.652839660e+01 1.652839660e+01 1.94 1.487853294e+01 1.487853294e+01 1.96 1.333852828e+01 1.333852828e+01 1.98 1.190192548e+01 1.190192548e+01 2.00 1.056200650e+01 1.056200650e+01 2.02 9.312475881e+00 9.312475881e+00 2.04 8.147737721e+00 8.147737721e+00 2.06 7.062743405e+00 7.062743405e+00 2.08 6.052798664e+00 6.052798664e+00 2.10 5.113413657e+00 5.113413657e+00 2.12 4.240228346e+00 4.240228346e+00 2.14 3.429012313e+00 3.429012313e+00 2.16 2.675722622e+00 2.675722622e+00 2.18 1.976545846e+00 1.976545846e+00 2.20 1.327923107e+00 1.327923107e+00 2.22 7.265215872e-01 7.265215872e-01 2.24 1.692129517e-01 1.692129517e-01 2.26 -3.469294745e-01 -3.469294745e-01 2.28 -8.246305276e-01 -8.246305276e-01 2.30 -1.266371212e+00 -1.266371212e+00 2.32 -1.674421625e+00 -1.674421625e+00 2.34 -2.050829961e+00 -2.050829961e+00 2.36 -2.397475827e+00 -2.397475827e+00 2.38 -2.716100246e+00 -2.716100246e+00 2.40 -3.008338672e+00 -3.008338672e+00 2.42 -3.275759567e+00 -3.275759567e+00 2.44 -3.519885599e+00 -3.519885599e+00 2.46 -3.742220442e+00 -3.742220442e+00 2.48 -3.944251218e+00 -3.944251218e+00 2.50 -4.127436120e+00 -4.127436120e+00 2.52 -4.293181993e+00 -4.293181993e+00 2.54 -4.442821473e+00 -4.442821473e+00 2.56 -4.577597303e+00 -4.577597303e+00 2.58 -4.698656886e+00 -4.698656886e+00 2.60 -4.807055382e+00 -4.807055382e+00 2.62 -4.903759591e+00 -4.903759591e+00 2.64 -4.989665966e+00 -4.989665966e+00 2.66 -5.065584130e+00 -5.065584130e+00 2.68 -5.132301130e+00 -5.132301130e+00 2.70 -5.190566266e+00 -5.190566266e+00 2.72 -5.240876553e+00 -5.240876553e+00 2.74 -5.283700327e+00 -5.283700327e+00 2.76 -5.319489249e+00 -5.319489249e+00 2.78 -5.348670518e+00 -5.348670518e+00 2.80 -5.371651805e+00 -5.371651805e+00 2.82 -5.388797117e+00 -5.388797117e+00 2.84 -5.400438443e+00 -5.400438443e+00 2.86 -5.406784585e+00 -5.406784585e+00 2.88 -5.407862498e+00 -5.407862498e+00 2.90 -5.403715977e+00 -5.403715977e+00 2.92 -5.394428172e+00 -5.394428172e+00 2.94 -5.380118604e+00 -5.380118604e+00 2.96 -5.360940663e+00 -5.360940663e+00 2.98 -5.337078358e+00 -5.337078358e+00 3.00 -5.308742615e+00 -5.308742615e+00 3.02 -5.276169258e+00 -5.276169258e+00 3.04 -5.239610582e+00 -5.239610582e+00 3.06 -5.199348261e+00 -5.199348261e+00 3.08 -5.155660003e+00 -5.155660003e+00 3.10 -5.108834741e+00 -5.108834741e+00 3.12 -5.059291926e+00 -5.059291926e+00 3.14 -5.007838128e+00 -5.007838128e+00 3.16 -4.954593037e+00 -4.954593037e+00 3.18 -4.899575625e+00 -4.899575625e+00 3.20 -4.842813622e+00 -4.842813622e+00 3.22 -4.784369142e+00 -4.784369142e+00 3.24 -4.724332062e+00 -4.724332062e+00 3.26 -4.662814986e+00 -4.662814986e+00 3.28 -4.599949770e+00 -4.599949770e+00 3.30 -4.535884662e+00 -4.535884662e+00 3.32 -4.470785764e+00 -4.470785764e+00 3.34 -4.404828261e+00 -4.404828261e+00 3.36 -4.338180722e+00 -4.338180722e+00 3.38 -4.270996794e+00 -4.270996794e+00 3.40 -4.203407267e+00 -4.203407267e+00 3.42 -4.135524005e+00 -4.135524005e+00 3.44 -4.067429012e+00 -4.067429012e+00 3.46 -3.999185334e+00 -3.999185334e+00 3.48 -3.930839380e+00 -3.930839380e+00 3.50 -3.862425770e+00 -3.862425770e+00 3.52 -3.793971757e+00 -3.793971757e+00 3.54 -3.725500814e+00 -3.725500814e+00 3.56 -3.657035259e+00 -3.657035259e+00 3.58 -3.588597990e+00 -3.588597990e+00 3.60 -3.520213468e+00 -3.520213468e+00 3.62 -3.451908119e+00 -3.451908119e+00 3.64 -3.383710362e+00 -3.383710362e+00 3.66 -3.315650472e+00 -3.315650472e+00 3.68 -3.247760506e+00 -3.247760506e+00 3.70 -3.180074514e+00 -3.180074514e+00 3.72 -3.112629228e+00 -3.112629228e+00 3.74 -3.045465323e+00 -3.045465323e+00 3.76 -2.978629208e+00 -2.978629208e+00 3.78 -2.912175119e+00 -2.912175119e+00 3.80 -2.846167099e+00 -2.846167099e+00 3.82 -2.780680267e+00 -2.780680267e+00 3.84 -2.715800738e+00 -2.715800738e+00 3.86 -2.651623683e+00 -2.651623683e+00 3.88 -2.588249327e+00 -2.588249327e+00 3.90 -2.525777183e+00 -2.525777183e+00 3.92 -2.464295976e+00 -2.464295976e+00 3.94 -2.403891094e+00 -2.403891094e+00 3.96 -2.344617182e+00 -2.344617182e+00 3.98 -2.286510741e+00 -2.286510741e+00 4.00 -2.229585454e+00 -2.229585454e+00 4.02 -2.173834007e+00 -2.173834007e+00 4.04 -2.119231615e+00 -2.119231615e+00 4.06 -2.065740473e+00 -2.065740473e+00 4.08 -2.013314392e+00 -2.013314392e+00 4.10 -1.961896013e+00 -1.961896013e+00 4.12 -1.911450089e+00 -1.911450089e+00 4.14 -1.861919661e+00 -1.861919661e+00 4.16 -1.813261107e+00 -1.813261107e+00 4.18 -1.765436983e+00 -1.765436983e+00 4.20 -1.718417107e+00 -1.718417107e+00 4.22 -1.672179220e+00 -1.672179220e+00 4.24 -1.626709300e+00 -1.626709300e+00 4.26 -1.582001517e+00 -1.582001517e+00 4.28 -1.538057864e+00 -1.538057864e+00 4.30 -1.494887437e+00 -1.494887437e+00 4.32 -1.452505404e+00 -1.452505404e+00 4.34 -1.410931717e+00 -1.410931717e+00 4.36 -1.370189650e+00 -1.370189650e+00 4.38 -1.330304262e+00 -1.330304262e+00 4.40 -1.291300882e+00 -1.291300882e+00 4.42 -1.253203678e+00 -1.253203678e+00 4.44 -1.216034360e+00 -1.216034360e+00 4.46 -1.179811008e+00 -1.179811008e+00 4.48 -1.144547027e+00 -1.144547027e+00 4.50 -1.110250225e+00 -1.110250225e+00 4.52 -1.076922038e+00 -1.076922038e+00 4.54 -1.044556943e+00 -1.044556943e+00 4.56 -1.013142134e+00 -1.013142134e+00 4.58 -9.826575002e-01 -9.826575002e-01 4.60 -9.530759591e-01 -9.530759591e-01 4.62 -9.243641313e-01 -9.243641313e-01 4.64 -8.964833192e-01 -8.964833192e-01 4.66 -8.693907185e-01 -8.693907185e-01 4.68 -8.430407798e-01 -8.430407798e-01 4.70 -8.173866326e-01 -8.173866326e-01 4.72 -7.923815011e-01 -7.923815011e-01 4.74 -7.679800581e-01 -7.679800581e-01 4.76 -7.441396808e-01 -7.441396808e-01 4.78 -7.208215860e-01 -7.208215860e-01 4.80 -6.979857615e-01 -6.979857615e-01 4.82 -6.756171074e-01 -6.756171074e-01 4.84 -6.536864525e-01 -6.536864525e-01 4.86 -6.321787459e-01 -6.321787459e-01 4.88 -6.110859713e-01 -6.110859713e-01 4.90 -5.904070818e-01 -5.904070818e-01 4.92 -5.701476140e-01 -5.701476140e-01 4.94 -5.503189608e-01 -5.503189608e-01 4.96 -5.309373102e-01 -5.309373102e-01 4.98 -5.120222884e-01 -5.120222884e-01 5.00 -4.935953816e-01 -4.935953816e-01 5.02 -4.756782412e-01 -4.756782412e-01 5.04 -4.582909987e-01 -4.582909987e-01 5.06 -4.414507217e-01 -4.414507217e-01 5.08 -4.251701280e-01 -4.251701280e-01 5.10 -4.094566507e-01 -4.094566507e-01 5.12 -3.943119039e-01 -3.943119039e-01 5.14 -3.797315605e-01 -3.797315605e-01 5.16 -3.657056120e-01 -3.657056120e-01 5.18 -3.522189510e-01 -3.522189510e-01 5.20 -3.392521989e-01 -3.392521989e-01 5.22 -3.267826943e-01 -3.267826943e-01 5.24 -3.147855637e-01 -3.147855637e-01 5.26 -3.032348029e-01 -3.032348029e-01 5.28 -2.921043126e-01 -2.921043126e-01 5.30 -2.813688470e-01 -2.813688470e-01 5.32 -2.710048391e-01 -2.710048391e-01 5.34 -2.609910820e-01 -2.609910820e-01 5.36 -2.513092434e-01 -2.513092434e-01 5.38 -2.419441987e-01 -2.419441987e-01 5.40 -2.328841703e-01 -2.328841703e-01 5.42 -2.241206661e-01 -2.241206661e-01 5.44 -2.156482188e-01 -2.156482188e-01 5.46 -2.074639416e-01 -2.074639416e-01 5.48 -1.995669274e-01 -1.995669274e-01 5.50 -1.919575384e-01 -1.919575384e-01 5.52 -1.846366397e-01 -1.846366397e-01 5.54 -1.776048455e-01 -1.776048455e-01 5.56 -1.708618373e-01 -1.708618373e-01 5.58 -1.644058110e-01 -1.644058110e-01 5.60 -1.582330851e-01 -1.582330851e-01 5.62 -1.523375831e-01 -1.523375831e-01 5.64 -1.467114293e-01 -1.467114293e-01 5.66 -1.413450018e-01 -1.413450018e-01 5.68 -1.362268479e-01 -1.362268479e-01 5.70 -1.313440354e-01 -1.313440354e-01 5.72 -1.266825383e-01 -1.266825383e-01 5.74 -1.222276211e-01 -1.222276211e-01 5.76 -1.179641943e-01 -1.179641943e-01 5.78 -1.138771233e-01 -1.138771233e-01 5.80 -1.099514812e-01 -1.099514812e-01 5.82 -1.061727447e-01 -1.061727447e-01 5.84 -1.025269360e-01 -1.025269360e-01 5.86 -9.900071855e-02 -9.900071855e-02 5.88 -9.558145498e-02 -9.558145498e-02 5.90 -9.225723836e-02 -9.225723836e-02 5.92 -8.901690487e-02 -8.901690487e-02 5.94 -8.585003763e-02 -8.585003763e-02 5.96 -8.274696874e-02 -8.274696874e-02 5.98 -7.969878612e-02 -7.969878612e-02 6.00 -7.669734998e-02 -7.669734998e-02