# 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 = AlPbTa2 # 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 3.567071036e+02 3.567071036e+02 1.30 3.330766006e+02 3.330766006e+02 1.32 3.111188139e+02 3.111188139e+02 1.34 2.907047930e+02 2.907047930e+02 1.36 2.717091733e+02 2.717091733e+02 1.38 2.540129976e+02 2.540129976e+02 1.40 2.375071731e+02 2.375071731e+02 1.42 2.220944918e+02 2.220944918e+02 1.44 2.076896705e+02 2.076896705e+02 1.46 1.942179398e+02 1.942179398e+02 1.48 1.816131457e+02 1.816131457e+02 1.50 1.698161428e+02 1.698161428e+02 1.52 1.587735530e+02 1.587735530e+02 1.54 1.484364503e+02 1.484364503e+02 1.56 1.387589041e+02 1.387589041e+02 1.58 1.296969088e+02 1.296969088e+02 1.60 1.212081231e+02 1.212081231e+02 1.62 1.132522917e+02 1.132522917e+02 1.64 1.057918303e+02 1.057918303e+02 1.66 9.879218462e+01 9.879218462e+01 1.68 9.222182196e+01 9.222182196e+01 1.70 8.605194450e+01 8.605194450e+01 1.72 8.025605563e+01 8.025605563e+01 1.74 7.480950398e+01 7.480950398e+01 1.76 6.968910702e+01 6.968910702e+01 1.78 6.487291831e+01 6.487291831e+01 1.80 6.034015370e+01 6.034015370e+01 1.82 5.607124225e+01 5.607124225e+01 1.84 5.205064515e+01 5.205064515e+01 1.86 4.826798730e+01 4.826798730e+01 1.88 4.470782275e+01 4.470782275e+01 1.90 4.135615357e+01 4.135615357e+01 1.92 3.820215307e+01 3.820215307e+01 1.94 3.524175435e+01 3.524175435e+01 1.96 3.246762776e+01 3.246762776e+01 1.98 2.987134549e+01 2.987134549e+01 2.00 2.744488855e+01 2.744488855e+01 2.02 2.518024968e+01 2.518024968e+01 2.04 2.306914678e+01 2.306914678e+01 2.06 2.110292302e+01 2.110292302e+01 2.08 1.927262551e+01 1.927262551e+01 2.10 1.756921147e+01 1.756921147e+01 2.12 1.598380504e+01 1.598380504e+01 2.14 1.450792836e+01 1.450792836e+01 2.16 1.313366208e+01 1.313366208e+01 2.18 1.185372328e+01 1.185372328e+01 2.20 1.066146825e+01 1.066146825e+01 2.22 9.550847880e+00 9.550847880e+00 2.24 8.516331476e+00 8.516331476e+00 2.26 7.552818322e+00 7.552818322e+00 2.28 6.655548576e+00 6.655548576e+00 2.30 5.820028991e+00 5.820028991e+00 2.32 5.041976541e+00 5.041976541e+00 2.34 4.317298762e+00 4.317298762e+00 2.36 3.642099259e+00 3.642099259e+00 2.38 3.012711189e+00 3.012711189e+00 2.40 2.425741571e+00 2.425741571e+00 2.42 1.878111734e+00 1.878111734e+00 2.44 1.367078368e+00 1.367078368e+00 2.46 8.902301107e-01 8.902301107e-01 2.48 4.454571866e-01 4.454571866e-01 2.50 3.090037863e-02 3.090037863e-02 2.52 -3.551117669e-01 -3.551117669e-01 2.54 -7.141171279e-01 -7.141171279e-01 2.56 -1.047411847e+00 -1.047411847e+00 2.58 -1.356538519e+00 -1.356538519e+00 2.60 -1.643112678e+00 -1.643112678e+00 2.62 -1.908690453e+00 -1.908690453e+00 2.64 -2.154752025e+00 -2.154752025e+00 2.66 -2.382670454e+00 -2.382670454e+00 2.68 -2.593690025e+00 -2.593690025e+00 2.70 -2.788913524e+00 -2.788913524e+00 2.72 -2.969230242e+00 -2.969230242e+00 2.74 -3.135146308e+00 -3.135146308e+00 2.76 -3.287084300e+00 -3.287084300e+00 2.78 -3.425465031e+00 -3.425465031e+00 2.80 -3.550706421e+00 -3.550706421e+00 2.82 -3.663223712e+00 -3.663223712e+00 2.84 -3.763429924e+00 -3.763429924e+00 2.86 -3.851736925e+00 -3.851736925e+00 2.88 -3.928556791e+00 -3.928556791e+00 2.90 -3.994303317e+00 -3.994303317e+00 2.92 -4.049393430e+00 -4.049393430e+00 2.94 -4.094248240e+00 -4.094248240e+00 2.96 -4.129293507e+00 -4.129293507e+00 2.98 -4.154959395e+00 -4.154959395e+00 3.00 -4.171679360e+00 -4.171679360e+00 3.02 -4.179888082e+00 -4.179888082e+00 3.04 -4.180055273e+00 -4.180055273e+00 3.06 -4.173195706e+00 -4.173195706e+00 3.08 -4.159714422e+00 -4.159714422e+00 3.10 -4.139770934e+00 -4.139770934e+00 3.12 -4.113555264e+00 -4.113555264e+00 3.14 -4.081292551e+00 -4.081292551e+00 3.16 -4.043241309e+00 -4.043241309e+00 3.18 -3.999701994e+00 -3.999701994e+00 3.20 -3.951021264e+00 -3.951021264e+00 3.22 -3.897597841e+00 -3.897597841e+00 3.24 -3.839892438e+00 -3.839892438e+00 3.26 -3.778418241e+00 -3.778418241e+00 3.28 -3.713729466e+00 -3.713729466e+00 3.30 -3.646410420e+00 -3.646410420e+00 3.32 -3.577059457e+00 -3.577059457e+00 3.34 -3.506268940e+00 -3.506268940e+00 3.36 -3.434603019e+00 -3.434603019e+00 3.38 -3.362575621e+00 -3.362575621e+00 3.40 -3.290631073e+00 -3.290631073e+00 3.42 -3.219129949e+00 -3.219129949e+00 3.44 -3.148340296e+00 -3.148340296e+00 3.46 -3.078436253e+00 -3.078436253e+00 3.48 -3.009502232e+00 -3.009502232e+00 3.50 -2.941542000e+00 -2.941542000e+00 3.52 -2.874491043e+00 -2.874491043e+00 3.54 -2.808230697e+00 -2.808230697e+00 3.56 -2.742618871e+00 -2.742618871e+00 3.58 -2.677501200e+00 -2.677501200e+00 3.60 -2.612631360e+00 -2.612631360e+00 3.62 -2.547762855e+00 -2.547762855e+00 3.64 -2.482666503e+00 -2.482666503e+00 3.66 -2.417141182e+00 -2.417141182e+00 3.68 -2.351023712e+00 -2.351023712e+00 3.70 -2.284182246e+00 -2.284182246e+00 3.72 -2.216515014e+00 -2.216515014e+00 3.74 -2.147984701e+00 -2.147984701e+00 3.76 -2.078626721e+00 -2.078626721e+00 3.78 -2.008551825e+00 -2.008551825e+00 3.80 -1.937944755e+00 -1.937944755e+00 3.82 -1.867058386e+00 -1.867058386e+00 3.84 -1.796203206e+00 -1.796203206e+00 3.86 -1.725732594e+00 -1.725732594e+00 3.88 -1.656024894e+00 -1.656024894e+00 3.90 -1.587463773e+00 -1.587463773e+00 3.92 -1.520418229e+00 -1.520418229e+00 3.94 -1.455226239e+00 -1.455226239e+00 3.96 -1.392177751e+00 -1.392177751e+00 3.98 -1.331505961e+00 -1.331505961e+00 4.00 -1.273381171e+00 -1.273381171e+00 4.02 -1.217909663e+00 -1.217909663e+00 4.04 -1.165136599e+00 -1.165136599e+00 4.06 -1.115052069e+00 -1.115052069e+00 4.08 -1.067599313e+00 -1.067599313e+00 4.10 -1.022682774e+00 -1.022682774e+00 4.12 -9.801836462e-01 -9.801836462e-01 4.14 -9.399602992e-01 -9.399602992e-01 4.16 -9.018633347e-01 -9.018633347e-01 4.18 -8.657414910e-01 -8.657414910e-01 4.20 -8.314479375e-01 -8.314479375e-01 4.22 -7.988451760e-01 -7.988451760e-01 4.24 -7.678085117e-01 -7.678085117e-01 4.26 -7.382281030e-01 -7.382281030e-01 4.28 -7.100096445e-01 -7.100096445e-01 4.30 -6.830737949e-01 -6.830737949e-01 4.32 -6.573545315e-01 -6.573545315e-01 4.34 -6.327966897e-01 -6.327966897e-01 4.36 -6.093530072e-01 -6.093530072e-01 4.38 -5.869810281e-01 -5.869810281e-01 4.40 -5.656402098e-01 -5.656402098e-01 4.42 -5.452895145e-01 -5.452895145e-01 4.44 -5.258856698e-01 -5.258856698e-01 4.46 -5.073821687e-01 -5.073821687e-01 4.48 -4.897289673e-01 -4.897289673e-01 4.50 -4.728727624e-01 -4.728727624e-01 4.52 -4.567576775e-01 -4.567576775e-01 4.54 -4.413261811e-01 -4.413261811e-01 4.56 -4.265201008e-01 -4.265201008e-01 4.58 -4.122815957e-01 -4.122815957e-01 4.60 -3.985540064e-01 -3.985540064e-01 4.62 -3.852825747e-01 -3.852825747e-01 4.64 -3.724149983e-01 -3.724149983e-01 4.66 -3.599012107e-01 -3.599012107e-01 4.68 -3.476954508e-01 -3.476954508e-01 4.70 -3.357557965e-01 -3.357557965e-01 4.72 -3.240439662e-01 -3.240439662e-01 4.74 -3.125257799e-01 -3.125257799e-01 4.76 -3.011716004e-01 -3.011716004e-01 4.78 -2.899567789e-01 -2.899567789e-01 4.80 -2.788613066e-01 -2.788613066e-01 4.82 -2.678735947e-01 -2.678735947e-01 4.84 -2.569856501e-01 -2.569856501e-01 4.86 -2.461970083e-01 -2.461970083e-01 4.88 -2.355139058e-01 -2.355139058e-01 4.90 -2.249491804e-01 -2.249491804e-01 4.92 -2.145218839e-01 -2.145218839e-01 4.94 -2.042565729e-01 -2.042565729e-01 4.96 -1.941822707e-01 -1.941822707e-01 4.98 -1.843311316e-01 -1.843311316e-01 5.00 -1.747368780e-01 -1.747368780e-01 5.02 -1.654331158e-01 -1.654331158e-01 5.04 -1.564516559e-01 -1.564516559e-01 5.06 -1.478209769e-01 -1.478209769e-01 5.08 -1.395649453e-01 -1.395649453e-01 5.10 -1.317018903e-01 -1.317018903e-01 5.12 -1.242440764e-01 -1.242440764e-01 5.14 -1.171975801e-01 -1.171975801e-01 5.16 -1.105625315e-01 -1.105625315e-01 5.18 -1.043336520e-01 -1.043336520e-01 5.20 -9.850100090e-02 -9.850100090e-02 5.22 -9.305083819e-02 -9.305083819e-02 5.24 -8.796651941e-02 -8.796651941e-02 5.26 -8.322933860e-02 -8.322933860e-02 5.28 -7.881922381e-02 -7.881922381e-02 5.30 -7.471560532e-02 -7.471560532e-02 5.32 -7.089783818e-02 -7.089783818e-02 5.34 -6.734557046e-02 -6.734557046e-02 5.36 -6.403903105e-02 -6.403903105e-02 5.38 -6.095922423e-02 -6.095922423e-02 5.40 -5.808805106e-02 -5.808805106e-02 5.42 -5.540837690e-02 -5.540837690e-02 5.44 -5.290406133e-02 -5.290406133e-02 5.46 -5.055996080e-02 -5.055996080e-02 5.48 -4.836191793e-02 -4.836191793e-02 5.50 -4.629673963e-02 -4.629673963e-02 5.52 -4.435216859e-02 -4.435216859e-02 5.54 -4.251685011e-02 -4.251685011e-02 5.56 -4.078029555e-02 -4.078029555e-02 5.58 -3.913284309e-02 -3.913284309e-02 5.60 -3.756561628e-02 -3.756561628e-02 5.62 -3.607048141e-02 -3.607048141e-02 5.64 -3.464000403e-02 -3.464000403e-02 5.66 -3.326740747e-02 -3.326740747e-02 5.68 -3.194653133e-02 -3.194653133e-02 5.70 -3.067179302e-02 -3.067179302e-02 5.72 -2.943815319e-02 -2.943815319e-02 5.74 -2.824108548e-02 -2.824108548e-02 5.76 -2.707655124e-02 -2.707655124e-02 5.78 -2.594097939e-02 -2.594097939e-02 5.80 -2.483125159e-02 -2.483125159e-02 5.82 -2.374469219e-02 -2.374469219e-02 5.84 -2.267906249e-02 -2.267906249e-02 5.86 -2.163255826e-02 -2.163255826e-02 5.88 -2.060380905e-02 -2.060380905e-02 5.90 -1.959187790e-02 -1.959187790e-02 5.92 -1.859625923e-02 -1.859625923e-02 5.94 -1.761686697e-02 -1.761686697e-02 5.96 -1.665394970e-02 -1.665394970e-02 5.98 -1.570822770e-02 -1.570822770e-02 6.00 -1.478081801e-02 -1.478081801e-02