# 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 = CuPtZr2 # 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 3.515176520e+02 3.515176520e+02 1.30 3.279731982e+02 3.279731982e+02 1.32 3.060577914e+02 3.060577914e+02 1.34 2.856535983e+02 2.856535983e+02 1.36 2.666513175e+02 2.666513175e+02 1.38 2.489462613e+02 2.489462613e+02 1.40 2.324365800e+02 2.324365800e+02 1.42 2.170253724e+02 2.170253724e+02 1.44 2.026243424e+02 2.026243424e+02 1.46 1.891553688e+02 1.891553688e+02 1.48 1.765495544e+02 1.765495544e+02 1.50 1.647456988e+02 1.647456988e+02 1.52 1.536890115e+02 1.536890115e+02 1.54 1.433293972e+02 1.433293972e+02 1.56 1.336197637e+02 1.336197637e+02 1.58 1.245146446e+02 1.245146446e+02 1.60 1.159699545e+02 1.159699545e+02 1.62 1.079436894e+02 1.079436894e+02 1.64 1.003973213e+02 1.003973213e+02 1.66 9.329699027e+01 9.329699027e+01 1.68 8.661425829e+01 8.661425829e+01 1.70 8.032601150e+01 8.032601150e+01 1.72 7.441330351e+01 7.441330351e+01 1.74 6.885926969e+01 6.885926969e+01 1.76 6.364686917e+01 6.364686917e+01 1.78 5.875746306e+01 5.875746306e+01 1.80 5.417083348e+01 5.417083348e+01 1.82 4.986612109e+01 4.986612109e+01 1.84 4.582310200e+01 4.582310200e+01 1.86 4.202298641e+01 4.202298641e+01 1.88 3.844854573e+01 3.844854573e+01 1.90 3.508386735e+01 3.508386735e+01 1.92 3.191488327e+01 3.191488327e+01 1.94 2.892796466e+01 2.892796466e+01 1.96 2.611048135e+01 2.611048135e+01 1.98 2.347871685e+01 2.347871685e+01 2.00 2.103972671e+01 2.103972671e+01 2.02 1.877964912e+01 1.877964912e+01 2.04 1.668613802e+01 1.668613802e+01 2.06 1.474803824e+01 1.474803824e+01 2.08 1.295514649e+01 1.295514649e+01 2.10 1.129804535e+01 1.129804535e+01 2.12 9.767891245e+00 9.767891245e+00 2.14 8.356259302e+00 8.356259302e+00 2.16 7.055032162e+00 7.055032162e+00 2.18 5.856381173e+00 5.856381173e+00 2.20 4.752841754e+00 4.752841754e+00 2.22 3.737383022e+00 3.737383022e+00 2.24 2.803460133e+00 2.803460133e+00 2.26 1.945032414e+00 1.945032414e+00 2.28 1.156544291e+00 1.156544291e+00 2.30 4.329283435e-01 4.329283435e-01 2.32 -2.304383801e-01 -2.304383801e-01 2.34 -8.377813582e-01 -8.377813582e-01 2.36 -1.392978742e+00 -1.392978742e+00 2.38 -1.899621224e+00 -1.899621224e+00 2.40 -2.361066592e+00 -2.361066592e+00 2.42 -2.780493466e+00 -2.780493466e+00 2.44 -3.160928559e+00 -3.160928559e+00 2.46 -3.505273071e+00 -3.505273071e+00 2.48 -3.816306471e+00 -3.816306471e+00 2.50 -4.096682918e+00 -4.096682918e+00 2.52 -4.348922981e+00 -4.348922981e+00 2.54 -4.575400445e+00 -4.575400445e+00 2.56 -4.778322027e+00 -4.778322027e+00 2.58 -4.959702692e+00 -4.959702692e+00 2.60 -5.121346259e+00 -5.121346259e+00 2.62 -5.264839645e+00 -5.264839645e+00 2.64 -5.391580749e+00 -5.391580749e+00 2.66 -5.502794002e+00 -5.502794002e+00 2.68 -5.599580736e+00 -5.599580736e+00 2.70 -5.682949133e+00 -5.682949133e+00 2.72 -5.753865435e+00 -5.753865435e+00 2.74 -5.813297342e+00 -5.813297342e+00 2.76 -5.861966268e+00 -5.861966268e+00 2.78 -5.900529931e+00 -5.900529931e+00 2.80 -5.929608544e+00 -5.929608544e+00 2.82 -5.949844446e+00 -5.949844446e+00 2.84 -5.962672513e+00 -5.962672513e+00 2.86 -5.968625219e+00 -5.968625219e+00 2.88 -5.967931148e+00 -5.967931148e+00 2.90 -5.960827439e+00 -5.960827439e+00 2.92 -5.947426873e+00 -5.947426873e+00 2.94 -5.927844759e+00 -5.927844759e+00 2.96 -5.902289061e+00 -5.902289061e+00 2.98 -5.871046750e+00 -5.871046750e+00 3.00 -5.834463688e+00 -5.834463688e+00 3.02 -5.792920819e+00 -5.792920819e+00 3.04 -5.746806165e+00 -5.746806165e+00 3.06 -5.696510277e+00 -5.696510277e+00 3.08 -5.642385883e+00 -5.642385883e+00 3.10 -5.584759212e+00 -5.584759212e+00 3.12 -5.523920445e+00 -5.523920445e+00 3.14 -5.460144421e+00 -5.460144421e+00 3.16 -5.393706076e+00 -5.393706076e+00 3.18 -5.324969339e+00 -5.324969339e+00 3.20 -5.254048215e+00 -5.254048215e+00 3.22 -5.181035692e+00 -5.181035692e+00 3.24 -5.106040740e+00 -5.106040740e+00 3.26 -5.029191203e+00 -5.029191203e+00 3.28 -4.950636322e+00 -4.950636322e+00 3.30 -4.870547186e+00 -4.870547186e+00 3.32 -4.789113519e+00 -4.789113519e+00 3.34 -4.706536445e+00 -4.706536445e+00 3.36 -4.623020587e+00 -4.623020587e+00 3.38 -4.538774295e+00 -4.538774295e+00 3.40 -4.453988877e+00 -4.453988877e+00 3.42 -4.368836285e+00 -4.368836285e+00 3.44 -4.283458877e+00 -4.283458877e+00 3.46 -4.197980066e+00 -4.197980066e+00 3.48 -4.112506609e+00 -4.112506609e+00 3.50 -4.027132658e+00 -4.027132658e+00 3.52 -3.941942742e+00 -3.941942742e+00 3.54 -3.857013472e+00 -3.857013472e+00 3.56 -3.772414145e+00 -3.772414145e+00 3.58 -3.688206635e+00 -3.688206635e+00 3.60 -3.604444984e+00 -3.604444984e+00 3.62 -3.521175071e+00 -3.521175071e+00 3.64 -3.438434653e+00 -3.438434653e+00 3.66 -3.356253979e+00 -3.356253979e+00 3.68 -3.274657132e+00 -3.274657132e+00 3.70 -3.193664155e+00 -3.193664155e+00 3.72 -3.113293923e+00 -3.113293923e+00 3.74 -3.033567636e+00 -3.033567636e+00 3.76 -2.954512636e+00 -2.954512636e+00 3.78 -2.876171887e+00 -2.876171887e+00 3.80 -2.798633757e+00 -2.798633757e+00 3.82 -2.722006778e+00 -2.722006778e+00 3.84 -2.646405644e+00 -2.646405644e+00 3.86 -2.571948973e+00 -2.571948973e+00 3.88 -2.498754783e+00 -2.498754783e+00 3.90 -2.426934267e+00 -2.426934267e+00 3.92 -2.356581649e+00 -2.356581649e+00 3.94 -2.287781617e+00 -2.287781617e+00 3.96 -2.220583213e+00 -2.220583213e+00 3.98 -2.155013220e+00 -2.155013220e+00 4.00 -2.091072986e+00 -2.091072986e+00 4.02 -2.028741756e+00 -2.028741756e+00 4.04 -1.967981684e+00 -1.967981684e+00 4.06 -1.908743671e+00 -1.908743671e+00 4.08 -1.850973179e+00 -1.850973179e+00 4.10 -1.794608237e+00 -1.794608237e+00 4.12 -1.739613771e+00 -1.739613771e+00 4.14 -1.685936827e+00 -1.685936827e+00 4.16 -1.633541820e+00 -1.633541820e+00 4.18 -1.582401956e+00 -1.582401956e+00 4.20 -1.532498547e+00 -1.532498547e+00 4.22 -1.483819510e+00 -1.483819510e+00 4.24 -1.436357363e+00 -1.436357363e+00 4.26 -1.390107040e+00 -1.390107040e+00 4.28 -1.345063864e+00 -1.345063864e+00 4.30 -1.301221931e+00 -1.301221931e+00 4.32 -1.258573040e+00 -1.258573040e+00 4.34 -1.217106207e+00 -1.217106207e+00 4.36 -1.176807645e+00 -1.176807645e+00 4.38 -1.137661044e+00 -1.137661044e+00 4.40 -1.099647925e+00 -1.099647925e+00 4.42 -1.062747891e+00 -1.062747891e+00 4.44 -1.026938658e+00 -1.026938658e+00 4.46 -9.921958134e-01 -9.921958134e-01 4.48 -9.584923825e-01 -9.584923825e-01 4.50 -9.257983083e-01 -9.257983083e-01 4.52 -8.940800067e-01 -8.940800067e-01 4.54 -8.633001460e-01 -8.633001460e-01 4.56 -8.334177694e-01 -8.334177694e-01 4.58 -8.043888212e-01 -8.043888212e-01 4.60 -7.761670811e-01 -7.761670811e-01 4.62 -7.487054587e-01 -7.487054587e-01 4.64 -7.219575620e-01 -7.219575620e-01 4.66 -6.958794301e-01 -6.958794301e-01 4.68 -6.704313088e-01 -6.704313088e-01 4.70 -6.455793444e-01 -6.455793444e-01 4.72 -6.212970710e-01 -6.212970710e-01 4.74 -5.975665722e-01 -5.975665722e-01 4.76 -5.743792040e-01 -5.743792040e-01 4.78 -5.517357861e-01 -5.517357861e-01 4.80 -5.296401177e-01 -5.296401177e-01 4.82 -5.081232775e-01 -5.081232775e-01 4.84 -4.872023033e-01 -4.872023033e-01 4.86 -4.669058411e-01 -4.669058411e-01 4.88 -4.472643883e-01 -4.472643883e-01 4.90 -4.283077170e-01 -4.283077170e-01 4.92 -4.100623874e-01 -4.100623874e-01 4.94 -3.925495658e-01 -3.925495658e-01 4.96 -3.757833246e-01 -3.757833246e-01 4.98 -3.597695333e-01 -3.597695333e-01 5.00 -3.445053832e-01 -3.445053832e-01 5.02 -3.299795114e-01 -3.299795114e-01 5.04 -3.161726349e-01 -3.161726349e-01 5.06 -3.030585687e-01 -3.030585687e-01 5.08 -2.906054891e-01 -2.906054891e-01 5.10 -2.787773074e-01 -2.787773074e-01 5.12 -2.675350433e-01 -2.675350433e-01 5.14 -2.568381144e-01 -2.568381144e-01 5.16 -2.466454877e-01 -2.466454877e-01 5.18 -2.369166675e-01 -2.369166675e-01 5.20 -2.276125173e-01 -2.276125173e-01 5.22 -2.186959255e-01 -2.186959255e-01 5.24 -2.101323367e-01 -2.101323367e-01 5.26 -2.018901696e-01 -2.018901696e-01 5.28 -1.939411451e-01 -1.939411451e-01 5.30 -1.862605369e-01 -1.862605369e-01 5.32 -1.788273553e-01 -1.788273553e-01 5.34 -1.716244610e-01 -1.716244610e-01 5.36 -1.646386016e-01 -1.646386016e-01 5.38 -1.578603547e-01 -1.578603547e-01 5.40 -1.512839602e-01 -1.512839602e-01 5.42 -1.449070259e-01 -1.449070259e-01 5.44 -1.387300979e-01 -1.387300979e-01 5.46 -1.327560983e-01 -1.327560983e-01 5.48 -1.269896501e-01 -1.269896501e-01 5.50 -1.214363211e-01 -1.214363211e-01 5.52 -1.161018412e-01 -1.161018412e-01 5.54 -1.109913466e-01 -1.109913466e-01 5.56 -1.061087097e-01 -1.061087097e-01 5.58 -1.014560054e-01 -1.014560054e-01 5.60 -9.703305702e-02 -9.703305702e-02 5.62 -9.283712667e-02 -9.283712667e-02 5.64 -8.886364970e-02 -8.886364970e-02 5.66 -8.510585463e-02 -8.510585463e-02 5.68 -8.155498566e-02 -8.155498566e-02 5.70 -7.820067479e-02 -7.820067479e-02 5.72 -7.503134809e-02 -7.503134809e-02 5.74 -7.203462955e-02 -7.203462955e-02 5.76 -6.919771469e-02 -6.919771469e-02 5.78 -6.650769579e-02 -6.650769579e-02 5.80 -6.395182945e-02 -6.395182945e-02 5.82 -6.151774423e-02 -6.151774423e-02 5.84 -5.919359213e-02 -5.919359213e-02 5.86 -5.696815062e-02 -5.696815062e-02 5.88 -5.483088396e-02 -5.483088396e-02 5.90 -5.277197339e-02 -5.277197339e-02 5.92 -5.078232491e-02 -5.078232491e-02 5.94 -4.885356311e-02 -4.885356311e-02 5.96 -4.697801785e-02 -4.697801785e-02 5.98 -4.514870973e-02 -4.514870973e-02 6.00 -4.335933878e-02 -4.335933878e-02