# 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 = CuTiW2 # 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 3.065359303e+02 3.065359303e+02 1.30 2.825666772e+02 2.825666772e+02 1.32 2.604950413e+02 2.604950413e+02 1.34 2.401549655e+02 2.401549655e+02 1.36 2.213899543e+02 2.213899543e+02 1.38 2.040552972e+02 2.040552972e+02 1.40 1.880208767e+02 1.880208767e+02 1.42 1.731729591e+02 1.731729591e+02 1.44 1.594139279e+02 1.594139279e+02 1.46 1.466599560e+02 1.466599560e+02 1.48 1.348376095e+02 1.348376095e+02 1.50 1.238808369e+02 1.238808369e+02 1.52 1.137292051e+02 1.137292051e+02 1.54 1.043271830e+02 1.043271830e+02 1.56 9.562380801e+01 9.562380801e+01 1.58 8.757228133e+01 8.757228133e+01 1.60 8.012941292e+01 8.012941292e+01 1.62 7.325501365e+01 7.325501365e+01 1.64 6.691128125e+01 6.691128125e+01 1.66 6.106217093e+01 6.106217093e+01 1.68 5.567282901e+01 5.567282901e+01 1.70 5.070924806e+01 5.070924806e+01 1.72 4.613822861e+01 4.613822861e+01 1.74 4.192758149e+01 4.192758149e+01 1.76 3.804643145e+01 3.804643145e+01 1.78 3.446555819e+01 3.446555819e+01 1.80 3.115780055e+01 3.115780055e+01 1.82 2.809851409e+01 2.809851409e+01 1.84 2.526606470e+01 2.526606470e+01 1.86 2.264286749e+01 2.264286749e+01 1.88 2.021339021e+01 2.021339021e+01 1.90 1.796435580e+01 1.796435580e+01 1.92 1.588438627e+01 1.588438627e+01 1.94 1.396314360e+01 1.396314360e+01 1.96 1.219110472e+01 1.219110472e+01 1.98 1.055924081e+01 1.055924081e+01 2.00 9.058815440e+00 9.058815440e+00 2.02 7.681259527e+00 7.681259527e+00 2.04 6.418078345e+00 6.418078345e+00 2.06 5.260806118e+00 5.260806118e+00 2.08 4.201029390e+00 4.201029390e+00 2.10 3.230482201e+00 3.230482201e+00 2.12 2.341193960e+00 2.341193960e+00 2.14 1.525658256e+00 1.525658256e+00 2.16 7.769879480e-01 7.769879480e-01 2.18 8.902359383e-02 8.902359383e-02 2.20 -5.436278136e-01 -5.436278136e-01 2.22 -1.125629240e+00 -1.125629240e+00 2.24 -1.661008702e+00 -1.661008702e+00 2.26 -2.153283140e+00 -2.153283140e+00 2.28 -2.605580307e+00 -2.605580307e+00 2.30 -3.020735895e+00 -3.020735895e+00 2.32 -3.401356312e+00 -3.401356312e+00 2.34 -3.749845828e+00 -3.749845828e+00 2.36 -4.068410441e+00 -4.068410441e+00 2.38 -4.359055233e+00 -4.359055233e+00 2.40 -4.623591145e+00 -4.623591145e+00 2.42 -4.863655970e+00 -4.863655970e+00 2.44 -5.080743700e+00 -5.080743700e+00 2.46 -5.276215925e+00 -5.276215925e+00 2.48 -5.451199403e+00 -5.451199403e+00 2.50 -5.606999949e+00 -5.606999949e+00 2.52 -5.744890554e+00 -5.744890554e+00 2.54 -5.866033761e+00 -5.866033761e+00 2.56 -5.971485151e+00 -5.971485151e+00 2.58 -6.062198752e+00 -6.062198752e+00 2.60 -6.139036890e+00 -6.139036890e+00 2.62 -6.202779118e+00 -6.202779118e+00 2.64 -6.253870105e+00 -6.253870105e+00 2.66 -6.292376743e+00 -6.292376743e+00 2.68 -6.318424108e+00 -6.318424108e+00 2.70 -6.332221801e+00 -6.332221801e+00 2.72 -6.334052238e+00 -6.334052238e+00 2.74 -6.324255674e+00 -6.324255674e+00 2.76 -6.303213661e+00 -6.303213661e+00 2.78 -6.271334084e+00 -6.271334084e+00 2.80 -6.229041372e+00 -6.229041372e+00 2.82 -6.176794836e+00 -6.176794836e+00 2.84 -6.115083618e+00 -6.115083618e+00 2.86 -6.044350599e+00 -6.044350599e+00 2.88 -5.965095802e+00 -5.965095802e+00 2.90 -5.877897583e+00 -5.877897583e+00 2.92 -5.783427124e+00 -5.783427124e+00 2.94 -5.682457698e+00 -5.682457698e+00 2.96 -5.575880356e+00 -5.575880356e+00 2.98 -5.464867714e+00 -5.464867714e+00 3.00 -5.350269784e+00 -5.350269784e+00 3.02 -5.232834562e+00 -5.232834562e+00 3.04 -5.113353618e+00 -5.113353618e+00 3.06 -4.992601322e+00 -4.992601322e+00 3.08 -4.871273678e+00 -4.871273678e+00 3.10 -4.749937981e+00 -4.749937981e+00 3.12 -4.629000326e+00 -4.629000326e+00 3.14 -4.508714169e+00 -4.508714169e+00 3.16 -4.389184467e+00 -4.389184467e+00 3.18 -4.270366553e+00 -4.270366553e+00 3.20 -4.152096588e+00 -4.152096588e+00 3.22 -4.034127512e+00 -4.034127512e+00 3.24 -3.916165458e+00 -3.916165458e+00 3.26 -3.797904437e+00 -3.797904437e+00 3.28 -3.679058170e+00 -3.679058170e+00 3.30 -3.559388613e+00 -3.559388613e+00 3.32 -3.438730819e+00 -3.438730819e+00 3.34 -3.317013706e+00 -3.317013706e+00 3.36 -3.194276004e+00 -3.194276004e+00 3.38 -3.070676443e+00 -3.070676443e+00 3.40 -2.946497168e+00 -2.946497168e+00 3.42 -2.822139602e+00 -2.822139602e+00 3.44 -2.698112114e+00 -2.698112114e+00 3.46 -2.575010019e+00 -2.575010019e+00 3.48 -2.453488702e+00 -2.453488702e+00 3.50 -2.334231776e+00 -2.334231776e+00 3.52 -2.217916720e+00 -2.217916720e+00 3.54 -2.105180802e+00 -2.105180802e+00 3.56 -1.996590172e+00 -1.996590172e+00 3.58 -1.892614678e+00 -1.892614678e+00 3.60 -1.793610420e+00 -1.793610420e+00 3.62 -1.699811180e+00 -1.699811180e+00 3.64 -1.611328862e+00 -1.611328862e+00 3.66 -1.528162045e+00 -1.528162045e+00 3.68 -1.450210877e+00 -1.450210877e+00 3.70 -1.377296013e+00 -1.377296013e+00 3.72 -1.309179236e+00 -1.309179236e+00 3.74 -1.245583638e+00 -1.245583638e+00 3.76 -1.186211755e+00 -1.186211755e+00 3.78 -1.130760646e+00 -1.130760646e+00 3.80 -1.078933398e+00 -1.078933398e+00 3.82 -1.030447025e+00 -1.030447025e+00 3.84 -9.850370555e-01 -9.850370555e-01 3.86 -9.424593284e-01 -9.424593284e-01 3.88 -9.024897097e-01 -9.024897097e-01 3.90 -8.649224613e-01 -8.649224613e-01 3.92 -8.295679541e-01 -8.295679541e-01 3.94 -7.962504382e-01 -7.962504382e-01 3.96 -7.648059165e-01 -7.648059165e-01 3.98 -7.350807936e-01 -7.350807936e-01 4.00 -7.069309424e-01 -7.069309424e-01 4.02 -6.802212416e-01 -6.802212416e-01 4.04 -6.548253992e-01 -6.548253992e-01 4.06 -6.306259059e-01 -6.306259059e-01 4.08 -6.075139973e-01 -6.075139973e-01 4.10 -5.853894663e-01 -5.853894663e-01 4.12 -5.641608430e-01 -5.641608430e-01 4.14 -5.437445668e-01 -5.437445668e-01 4.16 -5.240649966e-01 -5.240649966e-01 4.18 -5.050540216e-01 -5.050540216e-01 4.20 -4.866514164e-01 -4.866514164e-01 4.22 -4.688040988e-01 -4.688040988e-01 4.24 -4.514661188e-01 -4.514661188e-01 4.26 -4.345987621e-01 -4.345987621e-01 4.28 -4.181707012e-01 -4.181707012e-01 4.30 -4.021581530e-01 -4.021581530e-01 4.32 -3.865449803e-01 -3.865449803e-01 4.34 -3.713226509e-01 -3.713226509e-01 4.36 -3.564899684e-01 -3.564899684e-01 4.38 -3.420524902e-01 -3.420524902e-01 4.40 -3.280215819e-01 -3.280215819e-01 4.42 -3.144130947e-01 -3.144130947e-01 4.44 -3.012457167e-01 -3.012457167e-01 4.46 -2.885390996e-01 -2.885390996e-01 4.48 -2.763119185e-01 -2.763119185e-01 4.50 -2.645800416e-01 -2.645800416e-01 4.52 -2.533549867e-01 -2.533549867e-01 4.54 -2.426428003e-01 -2.426428003e-01 4.56 -2.324434408e-01 -2.324434408e-01 4.58 -2.227506751e-01 -2.227506751e-01 4.60 -2.135524366e-01 -2.135524366e-01 4.62 -2.048315432e-01 -2.048315432e-01 4.64 -1.965666541e-01 -1.965666541e-01 4.66 -1.887333379e-01 -1.887333379e-01 4.68 -1.813051454e-01 -1.813051454e-01 4.70 -1.742546036e-01 -1.742546036e-01 4.72 -1.675540803e-01 -1.675540803e-01 4.74 -1.611764944e-01 -1.611764944e-01 4.76 -1.550958700e-01 -1.550958700e-01 4.78 -1.492877471e-01 -1.492877471e-01 4.80 -1.437294295e-01 -1.437294295e-01 4.82 -1.384003514e-01 -1.384003514e-01 4.84 -1.332819207e-01 -1.332819207e-01 4.86 -1.283577724e-01 -1.283577724e-01 4.88 -1.236137355e-01 -1.236137355e-01 4.90 -1.190378127e-01 -1.190378127e-01 4.92 -1.146201207e-01 -1.146201207e-01 4.94 -1.103527880e-01 -1.103527880e-01 4.96 -1.062298012e-01 -1.062298012e-01 4.98 -1.022467947e-01 -1.022467947e-01 5.00 -9.840078318e-02 -9.840078318e-02 5.02 -9.468984069e-02 -9.468984069e-02 5.04 -9.111274188e-02 -9.111274188e-02 5.06 -8.766858803e-02 -8.766858803e-02 5.08 -8.435640616e-02 -8.435640616e-02 5.10 -8.117481319e-02 -8.117481319e-02 5.12 -7.812198590e-02 -7.812198590e-02 5.14 -7.519531941e-02 -7.519531941e-02 5.16 -7.239133734e-02 -7.239133734e-02 5.18 -6.970570195e-02 -6.970570195e-02 5.20 -6.713329415e-02 -6.713329415e-02 5.22 -6.466834264e-02 -6.466834264e-02 5.24 -6.230457988e-02 -6.230457988e-02 5.26 -6.003540510e-02 -6.003540510e-02 5.28 -5.785403826e-02 -5.785403826e-02 5.30 -5.575365474e-02 -5.575365474e-02 5.32 -5.372749536e-02 -5.372749536e-02 5.34 -5.176895053e-02 -5.176895053e-02 5.36 -4.987162089e-02 -4.987162089e-02 5.38 -4.802935834e-02 -4.802935834e-02 5.40 -4.623629277e-02 -4.623629277e-02 5.42 -4.448684980e-02 -4.448684980e-02 5.44 -4.277576491e-02 -4.277576491e-02 5.46 -4.109809855e-02 -4.109809855e-02 5.48 -3.944925626e-02 -3.944925626e-02 5.50 -3.782501714e-02 -3.782501714e-02 5.52 -3.622157273e-02 -3.622157273e-02 5.54 -3.463557781e-02 -3.463557781e-02 5.56 -3.306421254e-02 -3.306421254e-02 5.58 -3.150525528e-02 -3.150525528e-02 5.60 -2.995716255e-02 -2.995716255e-02 5.62 -2.841915138e-02 -2.841915138e-02 5.64 -2.689127730e-02 -2.689127730e-02 5.66 -2.537449948e-02 -2.537449948e-02 5.68 -2.387072341e-02 -2.387072341e-02 5.70 -2.238281087e-02 -2.238281087e-02 5.72 -2.091454771e-02 -2.091454771e-02 5.74 -1.947056201e-02 -1.947056201e-02 5.76 -1.805618648e-02 -1.805618648e-02 5.78 -1.667713676e-02 -1.667713676e-02 5.80 -1.533952804e-02 -1.533952804e-02 5.82 -1.404959513e-02 -1.404959513e-02 5.84 -1.281331104e-02 -1.281331104e-02 5.86 -1.163611526e-02 -1.163611526e-02 5.88 -1.052267096e-02 -1.052267096e-02 5.90 -9.476670006e-03 -9.476670006e-03 5.92 -8.500699543e-03 -8.500699543e-03 5.94 -7.596176918e-03 -7.596176918e-03 5.96 -6.763352817e-03 -6.763352817e-03 5.98 -6.001375732e-03 -6.001375732e-03 6.00 -5.308406040e-03 -5.308406040e-03