# 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 = CoMgTi2 # 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 2.816368415e+02 2.816368415e+02 1.30 2.604745721e+02 2.604745721e+02 1.32 2.409252646e+02 2.409252646e+02 1.34 2.228556869e+02 2.228556869e+02 1.36 2.061448383e+02 2.061448383e+02 1.38 1.906836600e+02 1.906836600e+02 1.40 1.763733300e+02 1.763733300e+02 1.42 1.631233825e+02 1.631233825e+02 1.44 1.508507251e+02 1.508507251e+02 1.46 1.394794760e+02 1.394794760e+02 1.48 1.289407345e+02 1.289407345e+02 1.50 1.191717996e+02 1.191717996e+02 1.52 1.101150790e+02 1.101150790e+02 1.54 1.017172369e+02 1.017172369e+02 1.56 9.392889419e+01 9.392889419e+01 1.58 8.670461980e+01 8.670461980e+01 1.60 8.000276916e+01 8.000276916e+01 1.62 7.378508942e+01 7.378508942e+01 1.64 6.801625582e+01 6.801625582e+01 1.66 6.266342146e+01 6.266342146e+01 1.68 5.769585311e+01 5.769585311e+01 1.70 5.308478274e+01 5.308478274e+01 1.72 4.880350506e+01 4.880350506e+01 1.74 4.482785940e+01 4.482785940e+01 1.76 4.113585206e+01 4.113585206e+01 1.78 3.770782428e+01 3.770782428e+01 1.80 3.452526770e+01 3.452526770e+01 1.82 3.157119733e+01 3.157119733e+01 1.84 2.882994389e+01 2.882994389e+01 1.86 2.628698238e+01 2.628698238e+01 1.88 2.392875498e+01 2.392875498e+01 1.90 2.174250181e+01 2.174250181e+01 1.92 1.971612867e+01 1.971612867e+01 1.94 1.783815925e+01 1.783815925e+01 1.96 1.609778599e+01 1.609778599e+01 1.98 1.448497346e+01 1.448497346e+01 2.00 1.299051950e+01 1.299051950e+01 2.02 1.160601835e+01 1.160601835e+01 2.04 1.032375215e+01 1.032375215e+01 2.06 9.136578312e+00 9.136578312e+00 2.08 8.037861460e+00 8.037861460e+00 2.10 7.021451401e+00 7.021451401e+00 2.12 6.081674110e+00 6.081674110e+00 2.14 5.213305428e+00 5.213305428e+00 2.16 4.411523373e+00 4.411523373e+00 2.18 3.671848216e+00 3.671848216e+00 2.20 2.990083848e+00 2.990083848e+00 2.22 2.362264229e+00 2.362264229e+00 2.24 1.784613823e+00 1.784613823e+00 2.26 1.253528216e+00 1.253528216e+00 2.28 7.655770393e-01 7.655770393e-01 2.30 3.175270663e-01 3.175270663e-01 2.32 -9.363144887e-02 -9.363144887e-02 2.34 -4.706591166e-01 -4.706591166e-01 2.36 -8.160591989e-01 -8.160591989e-01 2.38 -1.132087584e+00 -1.132087584e+00 2.40 -1.420782500e+00 -1.420782500e+00 2.42 -1.684006172e+00 -1.684006172e+00 2.44 -1.923485681e+00 -1.923485681e+00 2.46 -2.140846229e+00 -2.140846229e+00 2.48 -2.337631475e+00 -2.337631475e+00 2.50 -2.515312296e+00 -2.515312296e+00 2.52 -2.675287126e+00 -2.675287126e+00 2.54 -2.818878134e+00 -2.818878134e+00 2.56 -2.947382930e+00 -2.947382930e+00 2.58 -3.062013382e+00 -3.062013382e+00 2.60 -3.163717652e+00 -3.163717652e+00 2.62 -3.253386738e+00 -3.253386738e+00 2.64 -3.331874169e+00 -3.331874169e+00 2.66 -3.399981435e+00 -3.399981435e+00 2.68 -3.458392333e+00 -3.458392333e+00 2.70 -3.507745079e+00 -3.507745079e+00 2.72 -3.548566979e+00 -3.548566979e+00 2.74 -3.581182776e+00 -3.581182776e+00 2.76 -3.605919657e+00 -3.605919657e+00 2.78 -3.623134442e+00 -3.623134442e+00 2.80 -3.633204975e+00 -3.633204975e+00 2.82 -3.636504784e+00 -3.636504784e+00 2.84 -3.633375167e+00 -3.633375167e+00 2.86 -3.624168387e+00 -3.624168387e+00 2.88 -3.609252811e+00 -3.609252811e+00 2.90 -3.589010382e+00 -3.589010382e+00 2.92 -3.563834174e+00 -3.563834174e+00 2.94 -3.534126045e+00 -3.534126045e+00 2.96 -3.500294849e+00 -3.500294849e+00 2.98 -3.462755454e+00 -3.462755454e+00 3.00 -3.421927757e+00 -3.421927757e+00 3.02 -3.378233729e+00 -3.378233729e+00 3.04 -3.332090208e+00 -3.332090208e+00 3.06 -3.283898256e+00 -3.283898256e+00 3.08 -3.234027487e+00 -3.234027487e+00 3.10 -3.182804174e+00 -3.182804174e+00 3.12 -3.130502904e+00 -3.130502904e+00 3.14 -3.077346919e+00 -3.077346919e+00 3.16 -3.023512173e+00 -3.023512173e+00 3.18 -2.969138223e+00 -2.969138223e+00 3.20 -2.914338601e+00 -2.914338601e+00 3.22 -2.859210309e+00 -2.859210309e+00 3.24 -2.803840965e+00 -2.803840965e+00 3.26 -2.748313379e+00 -2.748313379e+00 3.28 -2.692707870e+00 -2.692707870e+00 3.30 -2.637102844e+00 -2.637102844e+00 3.32 -2.581574221e+00 -2.581574221e+00 3.34 -2.526194330e+00 -2.526194330e+00 3.36 -2.471030859e+00 -2.471030859e+00 3.38 -2.416146373e+00 -2.416146373e+00 3.40 -2.361601913e+00 -2.361601913e+00 3.42 -2.307466262e+00 -2.307466262e+00 3.44 -2.253781697e+00 -2.253781697e+00 3.46 -2.200591438e+00 -2.200591438e+00 3.48 -2.147946113e+00 -2.147946113e+00 3.50 -2.095905411e+00 -2.095905411e+00 3.52 -2.044538325e+00 -2.044538325e+00 3.54 -1.993921448e+00 -1.993921448e+00 3.56 -1.944135134e+00 -1.944135134e+00 3.58 -1.895257380e+00 -1.895257380e+00 3.60 -1.847345682e+00 -1.847345682e+00 3.62 -1.800431965e+00 -1.800431965e+00 3.64 -1.754534290e+00 -1.754534290e+00 3.66 -1.709655393e+00 -1.709655393e+00 3.68 -1.665783106e+00 -1.665783106e+00 3.70 -1.622892897e+00 -1.622892897e+00 3.72 -1.580951645e+00 -1.580951645e+00 3.74 -1.539921757e+00 -1.539921757e+00 3.76 -1.499764896e+00 -1.499764896e+00 3.78 -1.460444920e+00 -1.460444920e+00 3.80 -1.421929862e+00 -1.421929862e+00 3.82 -1.384192985e+00 -1.384192985e+00 3.84 -1.347213052e+00 -1.347213052e+00 3.86 -1.310973992e+00 -1.310973992e+00 3.88 -1.275464156e+00 -1.275464156e+00 3.90 -1.240675331e+00 -1.240675331e+00 3.92 -1.206601539e+00 -1.206601539e+00 3.94 -1.173238577e+00 -1.173238577e+00 3.96 -1.140582240e+00 -1.140582240e+00 3.98 -1.108628249e+00 -1.108628249e+00 4.00 -1.077371599e+00 -1.077371599e+00 4.02 -1.046806278e+00 -1.046806278e+00 4.04 -1.016925155e+00 -1.016925155e+00 4.06 -9.877200235e-01 -9.877200235e-01 4.08 -9.591817411e-01 -9.591817411e-01 4.10 -9.313000436e-01 -9.313000436e-01 4.12 -9.040656091e-01 -9.040656091e-01 4.14 -8.774676005e-01 -8.774676005e-01 4.16 -8.514960111e-01 -8.514960111e-01 4.18 -8.261415111e-01 -8.261415111e-01 4.20 -8.013957896e-01 -8.013957896e-01 4.22 -7.772518197e-01 -7.772518197e-01 4.24 -7.537039978e-01 -7.537039978e-01 4.26 -7.307481110e-01 -7.307481110e-01 4.28 -7.083811027e-01 -7.083811027e-01 4.30 -6.866006379e-01 -6.866006379e-01 4.32 -6.654045079e-01 -6.654045079e-01 4.34 -6.447899487e-01 -6.447899487e-01 4.36 -6.247529704e-01 -6.247529704e-01 4.38 -6.052877979e-01 -6.052877979e-01 4.40 -5.863864944e-01 -5.863864944e-01 4.42 -5.680388078e-01 -5.680388078e-01 4.44 -5.502322294e-01 -5.502322294e-01 4.46 -5.329522244e-01 -5.329522244e-01 4.48 -5.161825727e-01 -5.161825727e-01 4.50 -4.999057539e-01 -4.999057539e-01 4.52 -4.841033250e-01 -4.841033250e-01 4.54 -4.687562542e-01 -4.687562542e-01 4.56 -4.538451918e-01 -4.538451918e-01 4.58 -4.393506788e-01 -4.393506788e-01 4.60 -4.252532999e-01 -4.252532999e-01 4.62 -4.115337983e-01 -4.115337983e-01 4.64 -3.981731698e-01 -3.981731698e-01 4.66 -3.851527537e-01 -3.851527537e-01 4.68 -3.724543391e-01 -3.724543391e-01 4.70 -3.600602996e-01 -3.600602996e-01 4.72 -3.479537687e-01 -3.479537687e-01 4.74 -3.361188633e-01 -3.361188633e-01 4.76 -3.245409598e-01 -3.245409598e-01 4.78 -3.132070198e-01 -3.132070198e-01 4.80 -3.021056973e-01 -3.021056973e-01 4.82 -2.912288106e-01 -2.912288106e-01 4.84 -2.805700279e-01 -2.805700279e-01 4.86 -2.701263982e-01 -2.701263982e-01 4.88 -2.598982911e-01 -2.598982911e-01 4.90 -2.498895128e-01 -2.498895128e-01 4.92 -2.401072366e-01 -2.401072366e-01 4.94 -2.305617122e-01 -2.305617122e-01 4.96 -2.212657359e-01 -2.212657359e-01 4.98 -2.122338917e-01 -2.122338917e-01 5.00 -2.034816042e-01 -2.034816042e-01 5.02 -1.950240707e-01 -1.950240707e-01 5.04 -1.868751652e-01 -1.868751652e-01 5.06 -1.790464136e-01 -1.790464136e-01 5.08 -1.715461356e-01 -1.715461356e-01 5.10 -1.643788287e-01 -1.643788287e-01 5.12 -1.575448389e-01 -1.575448389e-01 5.14 -1.510403283e-01 -1.510403283e-01 5.16 -1.448575138e-01 -1.448575138e-01 5.18 -1.389851240e-01 -1.389851240e-01 5.20 -1.334090082e-01 -1.334090082e-01 5.22 -1.281128205e-01 -1.281128205e-01 5.24 -1.230787147e-01 -1.230787147e-01 5.26 -1.182879965e-01 -1.182879965e-01 5.28 -1.137216937e-01 -1.137216937e-01 5.30 -1.093610246e-01 -1.093610246e-01 5.32 -1.051877594e-01 -1.051877594e-01 5.34 -1.011844782e-01 -1.011844782e-01 5.36 -9.733473895e-02 -9.733473895e-02 5.38 -9.362317085e-02 -9.362317085e-02 5.40 -9.003551041e-02 -9.003551041e-02 5.42 -8.655857826e-02 -8.655857826e-02 5.44 -8.318021805e-02 -8.318021805e-02 5.46 -7.988939891e-02 -7.988939891e-02 5.48 -7.667608589e-02 -7.667608589e-02 5.50 -7.353120198e-02 -7.353120198e-02 5.52 -7.044662033e-02 -7.044662033e-02 5.54 -6.741518026e-02 -6.741518026e-02 5.56 -6.443073013e-02 -6.443073013e-02 5.58 -6.148819698e-02 -6.148819698e-02 5.60 -5.858367897e-02 -5.858367897e-02 5.62 -5.571455313e-02 -5.571455313e-02 5.64 -5.287958662e-02 -5.287958662e-02 5.66 -5.007903645e-02 -5.007903645e-02 5.68 -4.731472017e-02 -4.731472017e-02 5.70 -4.459003894e-02 -4.459003894e-02 5.72 -4.190993555e-02 -4.190993555e-02 5.74 -3.928077345e-02 -3.928077345e-02 5.76 -3.671012936e-02 -3.671012936e-02 5.78 -3.420650300e-02 -3.420650300e-02 5.80 -3.177894131e-02 -3.177894131e-02 5.82 -2.943661613e-02 -2.943661613e-02 5.84 -2.718837770e-02 -2.718837770e-02 5.86 -2.504231313e-02 -2.504231313e-02 5.88 -2.300534792e-02 -2.300534792e-02 5.90 -2.108292168e-02 -2.108292168e-02 5.92 -1.927852577e-02 -1.927852577e-02 5.94 -1.759347907e-02 -1.759347907e-02 5.96 -1.602825209e-02 -1.602825209e-02 5.98 -1.458150978e-02 -1.458150978e-02 6.00 -1.325022587e-02 -1.325022587e-02