# 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 = AlCo2Fe # 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 1.282643181e+02 1.282643181e+02 1.30 1.175902051e+02 1.175902051e+02 1.32 1.077763789e+02 1.077763789e+02 1.34 9.874758960e+01 9.874758960e+01 1.36 9.043632654e+01 9.043632654e+01 1.38 8.278322319e+01 8.278322319e+01 1.40 7.573575201e+01 7.573575201e+01 1.42 6.924611097e+01 6.924611097e+01 1.44 6.326930057e+01 6.326930057e+01 1.46 5.776241896e+01 5.776241896e+01 1.48 5.268550018e+01 5.268550018e+01 1.50 4.800280981e+01 4.800280981e+01 1.52 4.368316801e+01 4.368316801e+01 1.54 3.969912631e+01 3.969912631e+01 1.56 3.602587128e+01 3.602587128e+01 1.58 3.264048001e+01 3.264048001e+01 1.60 2.952150522e+01 2.952150522e+01 1.62 2.664980886e+01 2.664980886e+01 1.64 2.400766265e+01 2.400766265e+01 1.66 2.157858961e+01 2.157858961e+01 1.68 1.934517560e+01 1.934517560e+01 1.70 1.729104812e+01 1.729104812e+01 1.72 1.540133413e+01 1.540133413e+01 1.74 1.366265570e+01 1.366265570e+01 1.76 1.206296343e+01 1.206296343e+01 1.78 1.059139317e+01 1.059139317e+01 1.80 9.238214570e+00 9.238214570e+00 1.82 7.994785635e+00 7.994785635e+00 1.84 6.853416391e+00 6.853416391e+00 1.86 5.807136923e+00 5.807136923e+00 1.88 4.849427469e+00 4.849427469e+00 1.90 3.973971638e+00 3.973971638e+00 1.92 3.174486092e+00 3.174486092e+00 1.94 2.444674004e+00 2.444674004e+00 1.96 1.778317214e+00 1.778317214e+00 1.98 1.169465070e+00 1.169465070e+00 2.00 6.126413179e-01 6.126413179e-01 2.02 1.029976298e-01 1.029976298e-01 2.04 -3.636277837e-01 -3.636277837e-01 2.06 -7.907526822e-01 -7.907526822e-01 2.08 -1.181366026e+00 -1.181366026e+00 2.10 -1.538069379e+00 -1.538069379e+00 2.12 -1.863204020e+00 -1.863204020e+00 2.14 -2.158941489e+00 -2.158941489e+00 2.16 -2.427331931e+00 -2.427331931e+00 2.18 -2.670316491e+00 -2.670316491e+00 2.20 -2.889718170e+00 -2.889718170e+00 2.22 -3.087228198e+00 -3.087228198e+00 2.24 -3.264399936e+00 -3.264399936e+00 2.26 -3.422653220e+00 -3.422653220e+00 2.28 -3.563285337e+00 -3.563285337e+00 2.30 -3.687483167e+00 -3.687483167e+00 2.32 -3.796333300e+00 -3.796333300e+00 2.34 -3.890829475e+00 -3.890829475e+00 2.36 -3.971879231e+00 -3.971879231e+00 2.38 -4.040312647e+00 -4.040312647e+00 2.40 -4.096972755e+00 -4.096972755e+00 2.42 -4.142558028e+00 -4.142558028e+00 2.44 -4.177658363e+00 -4.177658363e+00 2.46 -4.202879349e+00 -4.202879349e+00 2.48 -4.218853833e+00 -4.218853833e+00 2.50 -4.226248312e+00 -4.226248312e+00 2.52 -4.225765088e+00 -4.225765088e+00 2.54 -4.218287764e+00 -4.218287764e+00 2.56 -4.205316056e+00 -4.205316056e+00 2.58 -4.187232405e+00 -4.187232405e+00 2.60 -4.164335180e+00 -4.164335180e+00 2.62 -4.137022068e+00 -4.137022068e+00 2.64 -4.105733446e+00 -4.105733446e+00 2.66 -4.070893742e+00 -4.070893742e+00 2.68 -4.032866993e+00 -4.032866993e+00 2.70 -3.991950182e+00 -3.991950182e+00 2.72 -3.948360777e+00 -3.948360777e+00 2.74 -3.902176026e+00 -3.902176026e+00 2.76 -3.853383399e+00 -3.853383399e+00 2.78 -3.801970711e+00 -3.801970711e+00 2.80 -3.747942969e+00 -3.747942969e+00 2.82 -3.691331394e+00 -3.691331394e+00 2.84 -3.632197213e+00 -3.632197213e+00 2.86 -3.570631118e+00 -3.570631118e+00 2.88 -3.506750072e+00 -3.506750072e+00 2.90 -3.440693363e+00 -3.440693363e+00 2.92 -3.372619838e+00 -3.372619838e+00 2.94 -3.302707777e+00 -3.302707777e+00 2.96 -3.231157931e+00 -3.231157931e+00 2.98 -3.158198871e+00 -3.158198871e+00 3.00 -3.084092264e+00 -3.084092264e+00 3.02 -3.009134719e+00 -3.009134719e+00 3.04 -2.933652935e+00 -2.933652935e+00 3.06 -2.857990736e+00 -2.857990736e+00 3.08 -2.782489351e+00 -2.782489351e+00 3.10 -2.707465380e+00 -2.707465380e+00 3.12 -2.633191973e+00 -2.633191973e+00 3.14 -2.559887926e+00 -2.559887926e+00 3.16 -2.487716468e+00 -2.487716468e+00 3.18 -2.416792733e+00 -2.416792733e+00 3.20 -2.347196525e+00 -2.347196525e+00 3.22 -2.278986574e+00 -2.278986574e+00 3.24 -2.212213009e+00 -2.212213009e+00 3.26 -2.146926029e+00 -2.146926029e+00 3.28 -2.083180082e+00 -2.083180082e+00 3.30 -2.021033909e+00 -2.021033909e+00 3.32 -1.960547478e+00 -1.960547478e+00 3.34 -1.901777151e+00 -1.901777151e+00 3.36 -1.844770415e+00 -1.844770415e+00 3.38 -1.789561258e+00 -1.789561258e+00 3.40 -1.736166944e+00 -1.736166944e+00 3.42 -1.684586516e+00 -1.684586516e+00 3.44 -1.634800960e+00 -1.634800960e+00 3.46 -1.586774816e+00 -1.586774816e+00 3.48 -1.540458723e+00 -1.540458723e+00 3.50 -1.495792487e+00 -1.495792487e+00 3.52 -1.452708237e+00 -1.452708237e+00 3.54 -1.411133353e+00 -1.411133353e+00 3.56 -1.370992995e+00 -1.370992995e+00 3.58 -1.332212120e+00 -1.332212120e+00 3.60 -1.294717004e+00 -1.294717004e+00 3.62 -1.258436309e+00 -1.258436309e+00 3.64 -1.223301796e+00 -1.223301796e+00 3.66 -1.189248748e+00 -1.189248748e+00 3.68 -1.156216215e+00 -1.156216215e+00 3.70 -1.124147112e+00 -1.124147112e+00 3.72 -1.092988228e+00 -1.092988228e+00 3.74 -1.062690160e+00 -1.062690160e+00 3.76 -1.033207173e+00 -1.033207173e+00 3.78 -1.004496994e+00 -1.004496994e+00 3.80 -9.765205202e-01 -9.765205202e-01 3.82 -9.492414772e-01 -9.492414772e-01 3.84 -9.226260140e-01 -9.226260140e-01 3.86 -8.966422734e-01 -8.966422734e-01 3.88 -8.712599555e-01 -8.712599555e-01 3.90 -8.464499016e-01 -8.464499016e-01 3.92 -8.221837145e-01 -8.221837145e-01 3.94 -7.984334575e-01 -7.984334575e-01 3.96 -7.751713864e-01 -7.751713864e-01 3.98 -7.523698098e-01 -7.523698098e-01 4.00 -7.300010325e-01 -7.300010325e-01 4.02 -7.080374259e-01 -7.080374259e-01 4.04 -6.864516475e-01 -6.864516475e-01 4.06 -6.652170349e-01 -6.652170349e-01 4.08 -6.443082012e-01 -6.443082012e-01 4.10 -6.237018408e-01 -6.237018408e-01 4.12 -6.033778001e-01 -6.033778001e-01 4.14 -5.833202497e-01 -5.833202497e-01 4.16 -5.635190829e-01 -5.635190829e-01 4.18 -5.439712840e-01 -5.439712840e-01 4.20 -5.246821646e-01 -5.246821646e-01 4.22 -5.056662572e-01 -5.056662572e-01 4.24 -4.869476470e-01 -4.869476470e-01 4.26 -4.685595415e-01 -4.685595415e-01 4.28 -4.505429506e-01 -4.505429506e-01 4.30 -4.329444654e-01 -4.329444654e-01 4.32 -4.158132732e-01 -4.158132732e-01 4.34 -3.991976925e-01 -3.991976925e-01 4.36 -3.831416156e-01 -3.831416156e-01 4.38 -3.676812779e-01 -3.676812779e-01 4.40 -3.528427219e-01 -3.528427219e-01 4.42 -3.386401985e-01 -3.386401985e-01 4.44 -3.250755910e-01 -3.250755910e-01 4.46 -3.121387948e-01 -3.121387948e-01 4.48 -2.998088641e-01 -2.998088641e-01 4.50 -2.880556809e-01 -2.880556809e-01 4.52 -2.768418881e-01 -2.768418881e-01 4.54 -2.661248647e-01 -2.661248647e-01 4.56 -2.558585764e-01 -2.558585764e-01 4.58 -2.459952002e-01 -2.459952002e-01 4.60 -2.364864806e-01 -2.364864806e-01 4.62 -2.272848184e-01 -2.272848184e-01 4.64 -2.183441310e-01 -2.183441310e-01 4.66 -2.096205354e-01 -2.096205354e-01 4.68 -2.010729174e-01 -2.010729174e-01 4.70 -1.926634444e-01 -1.926634444e-01 4.72 -1.843580752e-01 -1.843580752e-01 4.74 -1.761271032e-01 -1.761271032e-01 4.76 -1.679457548e-01 -1.679457548e-01 4.78 -1.597948424e-01 -1.597948424e-01 4.80 -1.516614430e-01 -1.516614430e-01 4.82 -1.435395882e-01 -1.435395882e-01 4.84 -1.354308036e-01 -1.354308036e-01 4.86 -1.273445263e-01 -1.273445263e-01 4.88 -1.192982065e-01 -1.192982065e-01 4.90 -1.113170328e-01 -1.113170328e-01 4.92 -1.034331968e-01 -1.034331968e-01 4.94 -9.568466947e-02 -9.568466947e-02 4.96 -8.811351519e-02 -8.811351519e-02 4.98 -8.076383033e-02 -8.076383033e-02 5.00 -7.367946814e-02 -7.367946814e-02 5.02 -6.690174701e-02 -6.690174701e-02 5.04 -6.046733964e-02 -6.046733964e-02 5.06 -5.440653494e-02 -5.440653494e-02 5.08 -4.874174345e-02 -4.874174345e-02 5.10 -4.348704481e-02 -4.348704481e-02 5.12 -3.864893515e-02 -3.864893515e-02 5.14 -3.422587021e-02 -3.422587021e-02 5.16 -3.020911142e-02 -3.020911142e-02 5.18 -2.658387767e-02 -2.658387767e-02 5.20 -2.333062694e-02 -2.333062694e-02 5.22 -2.042635225e-02 -2.042635225e-02 5.24 -1.784580011e-02 -1.784580011e-02 5.26 -1.556253110e-02 -1.556253110e-02 5.28 -1.354960324e-02 -1.354960324e-02 5.30 -1.178092681e-02 -1.178092681e-02 5.32 -1.023148327e-02 -1.023148327e-02 5.34 -8.877587240e-03 -8.877587240e-03 5.36 -7.697166372e-03 -7.697166372e-03 5.38 -6.669918175e-03 -6.669918175e-03 5.40 -5.777370275e-03 -5.777370275e-03 5.42 -5.002868263e-03 -5.002868263e-03 5.44 -4.331511849e-03 -4.331511849e-03 5.46 -3.750056400e-03 -3.750056400e-03 5.48 -3.246793380e-03 -3.246793380e-03 5.50 -2.811420054e-03 -2.811420054e-03 5.52 -2.434906062e-03 -2.434906062e-03 5.54 -2.109362274e-03 -2.109362274e-03 5.56 -1.827915547e-03 -1.827915547e-03 5.58 -1.584591640e-03 -1.584591640e-03 5.60 -1.374207543e-03 -1.374207543e-03 5.62 -1.192273721e-03 -1.192273721e-03 5.64 -1.034906272e-03 -1.034906272e-03 5.66 -8.987486462e-04 -8.987486462e-04 5.68 -7.809023451e-04 -7.809023451e-04 5.70 -6.788659317e-04 -6.788659317e-04 5.72 -5.904815824e-04 -5.904815824e-04 5.74 -5.138884346e-04 -5.138884346e-04 5.76 -4.474819903e-04 -4.474819903e-04 5.78 -3.898788821e-04 -3.898788821e-04 5.80 -3.398863583e-04 -3.398863583e-04 5.82 -2.964758998e-04 -2.964758998e-04 5.84 -2.587604426e-04 -2.587604426e-04 5.86 -2.259747352e-04 -2.259747352e-04 5.88 -1.974584140e-04 -1.974584140e-04 5.90 -1.726414314e-04 -1.726414314e-04 5.92 -1.510315148e-04 -1.510315148e-04 5.94 -1.322033785e-04 -1.322033785e-04 5.96 -1.157894449e-04 -1.157894449e-04 5.98 -1.014718650e-04 -1.014718650e-04 6.00 -8.897565590e-05 -8.897565590e-05