# 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 = AuNiW2 # 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 3.463502223e+02 3.463502223e+02 1.30 3.198411184e+02 3.198411184e+02 1.32 2.953774827e+02 2.953774827e+02 1.34 2.727821853e+02 2.727821853e+02 1.36 2.518961243e+02 2.518961243e+02 1.38 2.325780328e+02 2.325780328e+02 1.40 2.147028470e+02 2.147028470e+02 1.42 1.981584700e+02 1.981584700e+02 1.44 1.828424368e+02 1.828424368e+02 1.46 1.686597566e+02 1.686597566e+02 1.48 1.555221856e+02 1.555221856e+02 1.50 1.433484151e+02 1.433484151e+02 1.52 1.320644371e+02 1.320644371e+02 1.54 1.216034972e+02 1.216034972e+02 1.56 1.119053692e+02 1.119053692e+02 1.58 1.029151302e+02 1.029151302e+02 1.60 9.458191247e+01 9.458191247e+01 1.62 8.685799569e+01 8.685799569e+01 1.64 7.969828083e+01 7.969828083e+01 1.66 7.306004119e+01 7.306004119e+01 1.68 6.690292414e+01 6.690292414e+01 1.70 6.118921015e+01 6.118921015e+01 1.72 5.588422445e+01 5.588422445e+01 1.74 5.095668661e+01 5.095668661e+01 1.76 4.637880678e+01 4.637880678e+01 1.78 4.212607662e+01 4.212607662e+01 1.80 3.817684119e+01 3.817684119e+01 1.82 3.451177319e+01 3.451177319e+01 1.84 3.111380203e+01 3.111380203e+01 1.86 2.796763208e+01 2.796763208e+01 1.88 2.505807378e+01 2.505807378e+01 1.90 2.237963995e+01 2.237963995e+01 1.92 1.992001616e+01 1.992001616e+01 1.94 1.766270809e+01 1.766270809e+01 1.96 1.559204379e+01 1.559204379e+01 1.98 1.369326622e+01 1.369326622e+01 2.00 1.195258144e+01 1.195258144e+01 2.02 1.035714526e+01 1.035714526e+01 2.04 8.894991694e+00 8.894991694e+00 2.06 7.554928095e+00 7.554928095e+00 2.08 6.326436574e+00 6.326436574e+00 2.10 5.199620852e+00 5.199620852e+00 2.12 4.165219674e+00 4.165219674e+00 2.14 3.214679075e+00 3.214679075e+00 2.16 2.340250022e+00 2.340250022e+00 2.18 1.535067064e+00 1.535067064e+00 2.20 7.931715370e-01 7.931715370e-01 2.22 1.094638751e-01 1.094638751e-01 2.24 -5.204073642e-01 -5.204073642e-01 2.26 -1.100195821e+00 -1.100195821e+00 2.28 -1.633216821e+00 -1.633216821e+00 2.30 -2.122488290e+00 -2.122488290e+00 2.32 -2.570833591e+00 -2.570833591e+00 2.34 -2.980937897e+00 -2.980937897e+00 2.36 -3.355361652e+00 -3.355361652e+00 2.38 -3.696525332e+00 -3.696525332e+00 2.40 -4.006685465e+00 -4.006685465e+00 2.42 -4.287919410e+00 -4.287919410e+00 2.44 -4.542031143e+00 -4.542031143e+00 2.46 -4.770686122e+00 -4.770686122e+00 2.48 -4.975674510e+00 -4.975674510e+00 2.50 -5.158634270e+00 -5.158634270e+00 2.52 -5.321066249e+00 -5.321066249e+00 2.54 -5.464350273e+00 -5.464350273e+00 2.56 -5.589756851e+00 -5.589756851e+00 2.58 -5.698453219e+00 -5.698453219e+00 2.60 -5.791236127e+00 -5.791236127e+00 2.62 -5.868384603e+00 -5.868384603e+00 2.64 -5.930195443e+00 -5.930195443e+00 2.66 -5.977026629e+00 -5.977026629e+00 2.68 -6.009284694e+00 -6.009284694e+00 2.70 -6.027416928e+00 -6.027416928e+00 2.72 -6.031906617e+00 -6.031906617e+00 2.74 -6.023268914e+00 -6.023268914e+00 2.76 -6.002045582e+00 -6.002045582e+00 2.78 -5.968798636e+00 -5.968798636e+00 2.80 -5.924105396e+00 -5.924105396e+00 2.82 -5.868554227e+00 -5.868554227e+00 2.84 -5.802750890e+00 -5.802750890e+00 2.86 -5.727329274e+00 -5.727329274e+00 2.88 -5.642965874e+00 -5.642965874e+00 2.90 -5.550396161e+00 -5.550396161e+00 2.92 -5.450429030e+00 -5.450429030e+00 2.94 -5.343979690e+00 -5.343979690e+00 2.96 -5.232041401e+00 -5.232041401e+00 2.98 -5.115442970e+00 -5.115442970e+00 3.00 -4.995065608e+00 -4.995065608e+00 3.02 -4.871836937e+00 -4.871836937e+00 3.04 -4.746681634e+00 -4.746681634e+00 3.06 -4.620471243e+00 -4.620471243e+00 3.08 -4.493978712e+00 -4.493978712e+00 3.10 -4.367839974e+00 -4.367839974e+00 3.12 -4.242525041e+00 -4.242525041e+00 3.14 -4.118338942e+00 -4.118338942e+00 3.16 -3.995430067e+00 -3.995430067e+00 3.18 -3.873807418e+00 -3.873807418e+00 3.20 -3.753365878e+00 -3.753365878e+00 3.22 -3.633916042e+00 -3.633916042e+00 3.24 -3.515215681e+00 -3.515215681e+00 3.26 -3.397000720e+00 -3.397000720e+00 3.28 -3.279014419e+00 -3.279014419e+00 3.30 -3.161034041e+00 -3.161034041e+00 3.32 -3.042894578e+00 -3.042894578e+00 3.34 -2.924509067e+00 -2.924509067e+00 3.36 -2.805884858e+00 -2.805884858e+00 3.38 -2.687134905e+00 -2.687134905e+00 3.40 -2.568482980e+00 -2.568482980e+00 3.42 -2.450261749e+00 -2.450261749e+00 3.44 -2.332902999e+00 -2.332902999e+00 3.46 -2.216919977e+00 -2.216919977e+00 3.48 -2.102882672e+00 -2.102882672e+00 3.50 -1.991387865e+00 -1.991387865e+00 3.52 -1.883026578e+00 -1.883026578e+00 3.54 -1.778351988e+00 -1.778351988e+00 3.56 -1.677850896e+00 -1.677850896e+00 3.58 -1.581921283e+00 -1.581921283e+00 3.60 -1.490857625e+00 -1.490857625e+00 3.62 -1.404844571e+00 -1.404844571e+00 3.64 -1.323958539e+00 -1.323958539e+00 3.66 -1.248175988e+00 -1.248175988e+00 3.68 -1.177386616e+00 -1.177386616e+00 3.70 -1.111409583e+00 -1.111409583e+00 3.72 -1.050010946e+00 -1.050010946e+00 3.74 -9.929208080e-01 -9.929208080e-01 3.76 -9.398490263e-01 -9.398490263e-01 3.78 -8.904987451e-01 -8.904987451e-01 3.80 -8.445773054e-01 -8.445773054e-01 3.82 -8.018043805e-01 -8.018043805e-01 3.84 -7.619173851e-01 -7.619173851e-01 3.86 -7.246743698e-01 -7.246743698e-01 3.88 -6.898547607e-01 -6.898547607e-01 3.90 -6.572584148e-01 -6.572584148e-01 3.92 -6.267035425e-01 -6.267035425e-01 3.94 -5.980240708e-01 -5.980240708e-01 3.96 -5.710669589e-01 -5.710669589e-01 3.98 -5.456898691e-01 -5.456898691e-01 4.00 -5.217594164e-01 -5.217594164e-01 4.02 -4.991500612e-01 -4.991500612e-01 4.04 -4.777435718e-01 -4.777435718e-01 4.06 -4.574289052e-01 -4.574289052e-01 4.08 -4.381023351e-01 -4.381023351e-01 4.10 -4.196676769e-01 -4.196676769e-01 4.12 -4.020365103e-01 -4.020365103e-01 4.14 -3.851283280e-01 -3.851283280e-01 4.16 -3.688705791e-01 -3.688705791e-01 4.18 -3.531984649e-01 -3.531984649e-01 4.20 -3.380555481e-01 -3.380555481e-01 4.22 -3.233931358e-01 -3.233931358e-01 4.24 -3.091700403e-01 -3.091700403e-01 4.26 -2.953524167e-01 -2.953524167e-01 4.28 -2.819135313e-01 -2.819135313e-01 4.30 -2.688334683e-01 -2.688334683e-01 4.32 -2.560987802e-01 -2.560987802e-01 4.34 -2.437020867e-01 -2.437020867e-01 4.36 -2.316416176e-01 -2.316416176e-01 4.38 -2.199206853e-01 -2.199206853e-01 4.40 -2.085470589e-01 -2.085470589e-01 4.42 -1.975321998e-01 -1.975321998e-01 4.44 -1.868903191e-01 -1.868903191e-01 4.46 -1.766372327e-01 -1.766372327e-01 4.48 -1.667889566e-01 -1.667889566e-01 4.50 -1.573602118e-01 -1.573602118e-01 4.52 -1.483633718e-01 -1.483633718e-01 4.54 -1.398067089e-01 -1.398067089e-01 4.56 -1.316932962e-01 -1.316932962e-01 4.58 -1.240203346e-01 -1.240203346e-01 4.60 -1.167789375e-01 -1.167789375e-01 4.62 -1.099543807e-01 -1.099543807e-01 4.64 -1.035267658e-01 -1.035267658e-01 4.66 -9.747199793e-02 -9.747199793e-02 4.68 -9.176295709e-02 -9.176295709e-02 4.70 -8.637074431e-02 -8.637074431e-02 4.72 -8.126589903e-02 -8.126589903e-02 4.74 -7.641951318e-02 -7.641951318e-02 4.76 -7.180419503e-02 -7.180419503e-02 4.78 -6.739486056e-02 -6.739486056e-02 4.80 -6.316934698e-02 -6.316934698e-02 4.82 -5.910885644e-02 -5.910885644e-02 4.84 -5.519823055e-02 -5.519823055e-02 4.86 -5.142607439e-02 -5.142607439e-02 4.88 -4.778472711e-02 -4.778472711e-02 4.90 -4.427008638e-02 -4.427008638e-02 4.92 -4.088129080e-02 -4.088129080e-02 4.94 -3.762026890e-02 -3.762026890e-02 4.96 -3.449117126e-02 -3.449117126e-02 4.98 -3.149971172e-02 -3.149971172e-02 5.00 -2.865245334e-02 -2.865245334e-02 5.02 -2.595608626e-02 -2.595608626e-02 5.04 -2.341674405e-02 -2.341674405e-02 5.06 -2.103940634e-02 -2.103940634e-02 5.08 -1.882742697e-02 -1.882742697e-02 5.10 -1.678208311e-02 -1.678208311e-02 5.12 -1.490247456e-02 -1.490247456e-02 5.14 -1.318599408e-02 -1.318599408e-02 5.16 -1.162800974e-02 -1.162800974e-02 5.18 -1.022210105e-02 -1.022210105e-02 5.20 -8.960386088e-03 -8.960386088e-03 5.22 -7.833882854e-03 -7.833882854e-03 5.24 -6.832873230e-03 -6.832873230e-03 5.26 -5.947244792e-03 -5.947244792e-03 5.28 -5.166793074e-03 -5.166793074e-03 5.30 -4.481474364e-03 -4.481474364e-03 5.32 -3.881605375e-03 -3.881605375e-03 5.34 -3.358011013e-03 -3.358011013e-03 5.36 -2.902124777e-03 -2.902124777e-03 5.38 -2.506048261e-03 -2.506048261e-03 5.40 -2.162577030e-03 -2.162577030e-03 5.42 -1.865200141e-03 -1.865200141e-03 5.44 -1.608080017e-03 -1.608080017e-03 5.46 -1.386018511e-03 -1.386018511e-03 5.48 -1.194414051e-03 -1.194414051e-03 5.50 -1.029213739e-03 -1.029213739e-03 5.52 -8.868634005e-04 -8.868634005e-04 5.54 -7.642577814e-04 -7.642577814e-04 5.56 -6.586924480e-04 -6.586924480e-04 5.58 -5.678183992e-04 -5.678183992e-04 5.60 -4.896000126e-04 -4.896000126e-04 5.62 -4.222766297e-04 -4.222766297e-04 5.64 -3.643278632e-04 -3.643278632e-04 5.66 -3.144425581e-04 -3.144425581e-04 5.68 -2.714912324e-04 -2.714912324e-04 5.70 -2.345017627e-04 -2.345017627e-04 5.72 -2.026380454e-04 -2.026380454e-04 5.74 -1.751813515e-04 -1.751813515e-04 5.76 -1.515140944e-04 -1.515140944e-04 5.78 -1.311057425e-04 -1.311057425e-04 5.80 -1.135006247e-04 -1.135006247e-04 5.82 -9.830739607e-05 -9.830739607e-05 5.84 -8.518995503e-05 -8.518995503e-05 5.86 -7.385962223e-05 -7.385962223e-05 5.88 -6.406841503e-05 -6.406841503e-05 5.90 -5.560326900e-05 -5.560326900e-05 5.92 -4.828107714e-05 -4.828107714e-05 5.94 -4.194443358e-05 -4.194443358e-05 5.96 -3.645798341e-05 -3.645798341e-05 5.98 -3.170529322e-05 -3.170529322e-05 6.00 -2.758616876e-05 -2.758616876e-05