# 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 = AlAuFe2 # 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 1.932699359e+02 1.932699359e+02 1.30 1.777486911e+02 1.777486911e+02 1.32 1.634454107e+02 1.634454107e+02 1.34 1.502605017e+02 1.502605017e+02 1.36 1.381034549e+02 1.381034549e+02 1.38 1.268914296e+02 1.268914296e+02 1.40 1.165485432e+02 1.165485432e+02 1.42 1.070053346e+02 1.070053346e+02 1.44 9.819820736e+01 9.819820736e+01 1.46 9.006875924e+01 9.006875924e+01 1.48 8.256318914e+01 8.256318914e+01 1.50 7.563211697e+01 7.563211697e+01 1.52 6.923056597e+01 6.923056597e+01 1.54 6.331750508e+01 6.331750508e+01 1.56 5.785496729e+01 5.785496729e+01 1.58 5.280729760e+01 5.280729760e+01 1.60 4.814085393e+01 4.814085393e+01 1.62 4.382405852e+01 4.382405852e+01 1.64 3.982758048e+01 3.982758048e+01 1.66 3.613275931e+01 3.613275931e+01 1.68 3.272372214e+01 3.272372214e+01 1.70 2.957921400e+01 2.957921400e+01 1.72 2.668161475e+01 2.668161475e+01 1.74 2.401378369e+01 2.401378369e+01 1.76 2.156005529e+01 2.156005529e+01 1.78 1.930553149e+01 1.930553149e+01 1.80 1.723571648e+01 1.723571648e+01 1.82 1.533653226e+01 1.533653226e+01 1.84 1.359454934e+01 1.359454934e+01 1.86 1.199723979e+01 1.199723979e+01 1.88 1.053312446e+01 1.053312446e+01 1.90 9.191766054e+00 9.191766054e+00 1.92 7.963616524e+00 7.963616524e+00 1.94 6.839768145e+00 6.839768145e+00 1.96 5.811697659e+00 5.811697659e+00 1.98 4.871115373e+00 4.871115373e+00 2.00 4.009995311e+00 4.009995311e+00 2.02 3.220766778e+00 3.220766778e+00 2.04 2.496555932e+00 2.496555932e+00 2.06 1.831350762e+00 1.831350762e+00 2.08 1.220026807e+00 1.220026807e+00 2.10 6.582508992e-01 6.582508992e-01 2.12 1.423217205e-01 1.423217205e-01 2.14 -3.309962414e-01 -3.309962414e-01 2.16 -7.646102735e-01 -7.646102735e-01 2.18 -1.161195179e+00 -1.161195179e+00 2.20 -1.523248764e+00 -1.523248764e+00 2.22 -1.853117096e+00 -1.853117096e+00 2.24 -2.153002008e+00 -2.153002008e+00 2.26 -2.424961263e+00 -2.424961263e+00 2.28 -2.670907502e+00 -2.670907502e+00 2.30 -2.892608489e+00 -2.892608489e+00 2.32 -3.091689502e+00 -3.091689502e+00 2.34 -3.269638261e+00 -3.269638261e+00 2.36 -3.427813320e+00 -3.427813320e+00 2.38 -3.567456432e+00 -3.567456432e+00 2.40 -3.689709177e+00 -3.689709177e+00 2.42 -3.795633385e+00 -3.795633385e+00 2.44 -3.886234113e+00 -3.886234113e+00 2.46 -3.962483366e+00 -3.962483366e+00 2.48 -4.025342299e+00 -4.025342299e+00 2.50 -4.075779645e+00 -4.075779645e+00 2.52 -4.114784551e+00 -4.114784551e+00 2.54 -4.143372573e+00 -4.143372573e+00 2.56 -4.162610604e+00 -4.162610604e+00 2.58 -4.173635900e+00 -4.173635900e+00 2.60 -4.178150523e+00 -4.178150523e+00 2.62 -4.177105823e+00 -4.177105823e+00 2.64 -4.170968707e+00 -4.170968707e+00 2.66 -4.160188082e+00 -4.160188082e+00 2.68 -4.145151957e+00 -4.145151957e+00 2.70 -4.126166084e+00 -4.126166084e+00 2.72 -4.103452480e+00 -4.103452480e+00 2.74 -4.077164361e+00 -4.077164361e+00 2.76 -4.047278967e+00 -4.047278967e+00 2.78 -4.013571390e+00 -4.013571390e+00 2.80 -3.975881525e+00 -3.975881525e+00 2.82 -3.934132349e+00 -3.934132349e+00 2.84 -3.888322191e+00 -3.888322191e+00 2.86 -3.838515063e+00 -3.838515063e+00 2.88 -3.784829551e+00 -3.784829551e+00 2.90 -3.727427266e+00 -3.727427266e+00 2.92 -3.666502279e+00 -3.666502279e+00 2.94 -3.602273041e+00 -3.602273041e+00 2.96 -3.534977830e+00 -3.534977830e+00 2.98 -3.464873817e+00 -3.464873817e+00 3.00 -3.392238626e+00 -3.392238626e+00 3.02 -3.317372227e+00 -3.317372227e+00 3.04 -3.240596527e+00 -3.240596527e+00 3.06 -3.162250701e+00 -3.162250701e+00 3.08 -3.082681716e+00 -3.082681716e+00 3.10 -3.002231795e+00 -3.002231795e+00 3.12 -2.921225948e+00 -2.921225948e+00 3.14 -2.839963226e+00 -2.839963226e+00 3.16 -2.758714032e+00 -2.758714032e+00 3.18 -2.677723965e+00 -2.677723965e+00 3.20 -2.597222368e+00 -2.597222368e+00 3.22 -2.517432560e+00 -2.517432560e+00 3.24 -2.438580568e+00 -2.438580568e+00 3.26 -2.360899860e+00 -2.360899860e+00 3.28 -2.284630890e+00 -2.284630890e+00 3.30 -2.210015543e+00 -2.210015543e+00 3.32 -2.137287704e+00 -2.137287704e+00 3.34 -2.066661841e+00 -2.066661841e+00 3.36 -1.998321701e+00 -1.998321701e+00 3.38 -1.932411007e+00 -1.932411007e+00 3.40 -1.869027461e+00 -1.869027461e+00 3.42 -1.808220659e+00 -1.808220659e+00 3.44 -1.749993752e+00 -1.749993752e+00 3.46 -1.694308242e+00 -1.694308242e+00 3.48 -1.641090879e+00 -1.641090879e+00 3.50 -1.590241615e+00 -1.590241615e+00 3.52 -1.541641675e+00 -1.541641675e+00 3.54 -1.495161017e+00 -1.495161017e+00 3.56 -1.450664729e+00 -1.450664729e+00 3.58 -1.408018157e+00 -1.408018157e+00 3.60 -1.367090733e+00 -1.367090733e+00 3.62 -1.327758608e+00 -1.327758608e+00 3.64 -1.289906280e+00 -1.289906280e+00 3.66 -1.253427397e+00 -1.253427397e+00 3.68 -1.218224947e+00 -1.218224947e+00 3.70 -1.184211016e+00 -1.184211016e+00 3.72 -1.151306240e+00 -1.151306240e+00 3.74 -1.119439085e+00 -1.119439085e+00 3.76 -1.088545037e+00 -1.088545037e+00 3.78 -1.058565760e+00 -1.058565760e+00 3.80 -1.029448260e+00 -1.029448260e+00 3.82 -1.001144107e+00 -1.001144107e+00 3.84 -9.736086942e-01 -9.736086942e-01 3.86 -9.468005809e-01 -9.468005809e-01 3.88 -9.206809002e-01 -9.206809002e-01 3.90 -8.952128451e-01 -8.952128451e-01 3.92 -8.703612284e-01 -8.703612284e-01 3.94 -8.460921436e-01 -8.460921436e-01 3.96 -8.223726724e-01 -8.223726724e-01 3.98 -7.991707257e-01 -7.991707257e-01 4.00 -7.764549660e-01 -7.764549660e-01 4.02 -7.541948492e-01 -7.541948492e-01 4.04 -7.323607935e-01 -7.323607935e-01 4.06 -7.109244895e-01 -7.109244895e-01 4.08 -6.898593611e-01 -6.898593611e-01 4.10 -6.691411705e-01 -6.691411705e-01 4.12 -6.487488280e-01 -6.487488280e-01 4.14 -6.286651992e-01 -6.286651992e-01 4.16 -6.088781105e-01 -6.088781105e-01 4.18 -5.893812803e-01 -5.893812803e-01 4.20 -5.701751483e-01 -5.701751483e-01 4.22 -5.512674608e-01 -5.512674608e-01 4.24 -5.326734666e-01 -5.326734666e-01 4.26 -5.144155963e-01 -5.144155963e-01 4.28 -4.965225314e-01 -4.965225314e-01 4.30 -4.790276399e-01 -4.790276399e-01 4.32 -4.619668491e-01 -4.619668491e-01 4.34 -4.453761082e-01 -4.453761082e-01 4.36 -4.292886864e-01 -4.292886864e-01 4.38 -4.137325936e-01 -4.137325936e-01 4.40 -3.987283913e-01 -3.987283913e-01 4.42 -3.842876352e-01 -3.842876352e-01 4.44 -3.704120512e-01 -3.704120512e-01 4.46 -3.570934647e-01 -3.570934647e-01 4.48 -3.443141848e-01 -3.443141848e-01 4.50 -3.320485373e-01 -3.320485373e-01 4.52 -3.202642985e-01 -3.202642985e-01 4.54 -3.089239742e-01 -3.089239742e-01 4.56 -2.979864024e-01 -2.979864024e-01 4.58 -2.874082292e-01 -2.874082292e-01 4.60 -2.771451937e-01 -2.771451937e-01 4.62 -2.671530600e-01 -2.671530600e-01 4.64 -2.573887004e-01 -2.573887004e-01 4.66 -2.478110673e-01 -2.478110673e-01 4.68 -2.383814055e-01 -2.383814055e-01 4.70 -2.290638543e-01 -2.290638543e-01 4.72 -2.198260207e-01 -2.198260207e-01 4.74 -2.106395561e-01 -2.106395561e-01 4.76 -2.014807592e-01 -2.014807592e-01 4.78 -1.923312140e-01 -1.923312140e-01 4.80 -1.831784406e-01 -1.831784406e-01 4.82 -1.740165626e-01 -1.740165626e-01 4.84 -1.648468406e-01 -1.648468406e-01 4.86 -1.556781311e-01 -1.556781311e-01 4.88 -1.465270900e-01 -1.465270900e-01 4.90 -1.374180773e-01 -1.374180773e-01 4.92 -1.283826883e-01 -1.283826883e-01 4.94 -1.194588628e-01 -1.194588628e-01 4.96 -1.106895677e-01 -1.106895677e-01 4.98 -1.021210935e-01 -1.021210935e-01 5.00 -9.380105613e-02 -9.380105613e-02 5.02 -8.577624026e-02 -8.577624026e-02 5.04 -7.809045000e-02 -7.809045000e-02 5.06 -7.078253969e-02 -7.078253969e-02 5.08 -6.388478184e-02 -6.388478184e-02 5.10 -5.742169071e-02 -5.742169071e-02 5.12 -5.140936721e-02 -5.140936721e-02 5.14 -4.585537231e-02 -4.585537231e-02 5.16 -4.075908302e-02 -4.075908302e-02 5.18 -3.611244385e-02 -3.611244385e-02 5.20 -3.190100320e-02 -3.190100320e-02 5.22 -2.810511680e-02 -2.810511680e-02 5.24 -2.470120136e-02 -2.470120136e-02 5.26 -2.166296360e-02 -2.166296360e-02 5.28 -1.896252148e-02 -1.896252148e-02 5.30 -1.657136432e-02 -1.657136432e-02 5.32 -1.446054434e-02 -1.446054434e-02 5.34 -1.260272939e-02 -1.260272939e-02 5.36 -1.097216996e-02 -1.097216996e-02 5.38 -9.544501111e-03 -9.544501111e-03 5.40 -8.297030177e-03 -8.297030177e-03 5.42 -7.208892090e-03 -7.208892090e-03 5.44 -6.261103913e-03 -6.261103913e-03 5.46 -5.436545716e-03 -5.436545716e-03 5.48 -4.719890114e-03 -4.719890114e-03 5.50 -4.097498258e-03 -4.097498258e-03 5.52 -3.557295970e-03 -3.557295970e-03 5.54 -3.088640271e-03 -3.088640271e-03 5.56 -2.682183693e-03 -2.682183693e-03 5.58 -2.329741540e-03 -2.329741540e-03 5.60 -2.024165487e-03 -2.024165487e-03 5.62 -1.759225612e-03 -1.759225612e-03 5.64 -1.529501967e-03 -1.529501967e-03 5.66 -1.330286112e-03 -1.330286112e-03 5.68 -1.157492544e-03 -1.157492544e-03 5.70 -1.007579659e-03 -1.007579659e-03 5.72 -8.774796400e-04 -8.774796400e-04 5.74 -7.645366096e-04 -7.645366096e-04 5.76 -6.664522949e-04 -6.664522949e-04 5.78 -5.812384633e-04 -5.812384633e-04 5.80 -5.071754099e-04 -5.071754099e-04 5.82 -4.427758134e-04 -4.427758134e-04 5.84 -3.867533305e-04 -3.867533305e-04 5.86 -3.379953519e-04 -3.379953519e-04 5.88 -2.955394006e-04 -2.955394006e-04 5.90 -2.585527087e-04 -2.585527087e-04 5.92 -2.263145589e-04 -2.263145589e-04 5.94 -1.982010271e-04 -1.982010271e-04 5.96 -1.736718073e-04 -1.736718073e-04 5.98 -1.522588379e-04 -1.522588379e-04 6.00 -1.335564859e-04 -1.335564859e-04