# 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 = AlMgW2 # 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 3.831809474e+02 3.831809474e+02 1.30 3.548774759e+02 3.548774759e+02 1.32 3.287244249e+02 3.287244249e+02 1.34 3.045395291e+02 3.045395291e+02 1.36 2.821553855e+02 2.821553855e+02 1.38 2.614202654e+02 2.614202654e+02 1.40 2.421981629e+02 2.421981629e+02 1.42 2.243673909e+02 2.243673909e+02 1.44 2.078182387e+02 2.078182387e+02 1.46 1.924508869e+02 1.924508869e+02 1.48 1.781745118e+02 1.781745118e+02 1.50 1.649073159e+02 1.649073159e+02 1.52 1.525763784e+02 1.525763784e+02 1.54 1.411166816e+02 1.411166816e+02 1.56 1.304696162e+02 1.304696162e+02 1.58 1.205815217e+02 1.205815217e+02 1.60 1.114024777e+02 1.114024777e+02 1.62 1.028853324e+02 1.028853324e+02 1.64 9.498496774e+01 9.498496774e+01 1.66 8.765788582e+01 8.765788582e+01 1.68 8.086219877e+01 8.086219877e+01 1.70 7.455796848e+01 7.455796848e+01 1.72 6.870765356e+01 6.870765356e+01 1.74 6.327641472e+01 6.327641472e+01 1.76 5.823220302e+01 5.823220302e+01 1.78 5.354594399e+01 5.354594399e+01 1.80 4.919214686e+01 4.919214686e+01 1.82 4.514677520e+01 4.514677520e+01 1.84 4.138798253e+01 4.138798253e+01 1.86 3.789607134e+01 3.789607134e+01 1.88 3.465333609e+01 3.465333609e+01 1.90 3.164491809e+01 3.164491809e+01 1.92 2.885576016e+01 2.885576016e+01 1.94 2.627119078e+01 2.627119078e+01 1.96 2.387721030e+01 2.387721030e+01 1.98 2.166045676e+01 2.166045676e+01 2.00 1.960825046e+01 1.960825046e+01 2.02 1.770863624e+01 1.770863624e+01 2.04 1.595037043e+01 1.595037043e+01 2.06 1.432284579e+01 1.432284579e+01 2.08 1.281599072e+01 1.281599072e+01 2.10 1.142019854e+01 1.142019854e+01 2.12 1.012632963e+01 1.012632963e+01 2.14 8.925789405e+00 8.925789405e+00 2.16 7.810651001e+00 7.810651001e+00 2.18 6.773770289e+00 6.773770289e+00 2.20 5.808850747e+00 5.808850747e+00 2.22 4.910435147e+00 4.910435147e+00 2.24 4.073831750e+00 4.073831750e+00 2.26 3.294997665e+00 3.294997665e+00 2.28 2.570407363e+00 2.570407363e+00 2.30 1.896930155e+00 1.896930155e+00 2.32 1.271726672e+00 1.271726672e+00 2.34 6.921734282e-01 6.921734282e-01 2.36 1.558073545e-01 1.558073545e-01 2.38 -3.397094080e-01 -3.397094080e-01 2.40 -7.964730219e-01 -7.964730219e-01 2.42 -1.216665334e+00 -1.216665334e+00 2.44 -1.602530557e+00 -1.602530557e+00 2.46 -1.956215697e+00 -1.956215697e+00 2.48 -2.279777955e+00 -2.279777955e+00 2.50 -2.575185930e+00 -2.575185930e+00 2.52 -2.844317042e+00 -2.844317042e+00 2.54 -3.088953877e+00 -3.088953877e+00 2.56 -3.310591383e+00 -3.310591383e+00 2.58 -3.510188248e+00 -3.510188248e+00 2.60 -3.688653602e+00 -3.688653602e+00 2.62 -3.846916793e+00 -3.846916793e+00 2.64 -3.985907026e+00 -3.985907026e+00 2.66 -4.106527626e+00 -4.106527626e+00 2.68 -4.209635015e+00 -4.209635015e+00 2.70 -4.296025592e+00 -4.296025592e+00 2.72 -4.366434870e+00 -4.366434870e+00 2.74 -4.421546921e+00 -4.421546921e+00 2.76 -4.462009676e+00 -4.462009676e+00 2.78 -4.488451564e+00 -4.488451564e+00 2.80 -4.501497701e+00 -4.501497701e+00 2.82 -4.501783303e+00 -4.501783303e+00 2.84 -4.489967766e+00 -4.489967766e+00 2.86 -4.466748256e+00 -4.466748256e+00 2.88 -4.432873872e+00 -4.432873872e+00 2.90 -4.389159299e+00 -4.389159299e+00 2.92 -4.336495885e+00 -4.336495885e+00 2.94 -4.275892606e+00 -4.275892606e+00 2.96 -4.209088742e+00 -4.209088742e+00 2.98 -4.137215418e+00 -4.137215418e+00 3.00 -4.061132862e+00 -4.061132862e+00 3.02 -3.981746524e+00 -3.981746524e+00 3.04 -3.899960146e+00 -3.899960146e+00 3.06 -3.816628382e+00 -3.816628382e+00 3.08 -3.732512524e+00 -3.732512524e+00 3.10 -3.648251529e+00 -3.648251529e+00 3.12 -3.564354874e+00 -3.564354874e+00 3.14 -3.481175656e+00 -3.481175656e+00 3.16 -3.398906698e+00 -3.398906698e+00 3.18 -3.317599071e+00 -3.317599071e+00 3.20 -3.237186953e+00 -3.237186953e+00 3.22 -3.157517420e+00 -3.157517420e+00 3.24 -3.078381429e+00 -3.078381429e+00 3.26 -2.999543438e+00 -2.999543438e+00 3.28 -2.920768024e+00 -2.920768024e+00 3.30 -2.841842691e+00 -2.841842691e+00 3.32 -2.762596669e+00 -2.762596669e+00 3.34 -2.682915835e+00 -2.682915835e+00 3.36 -2.602753958e+00 -2.602753958e+00 3.38 -2.522140285e+00 -2.522140285e+00 3.40 -2.441183172e+00 -2.441183172e+00 3.42 -2.360082153e+00 -2.360082153e+00 3.44 -2.279123701e+00 -2.279123701e+00 3.46 -2.198528608e+00 -2.198528608e+00 3.48 -2.118578142e+00 -2.118578142e+00 3.50 -2.039609683e+00 -2.039609683e+00 3.52 -1.961845999e+00 -1.961845999e+00 3.54 -1.885406901e+00 -1.885406901e+00 3.56 -1.810503574e+00 -1.810503574e+00 3.58 -1.737411532e+00 -1.737411532e+00 3.60 -1.666430964e+00 -1.666430964e+00 3.62 -1.597851835e+00 -1.597851835e+00 3.64 -1.531926589e+00 -1.531926589e+00 3.66 -1.468851797e+00 -1.468851797e+00 3.68 -1.408758689e+00 -1.408758689e+00 3.70 -1.351711428e+00 -1.351711428e+00 3.72 -1.297711330e+00 -1.297711330e+00 3.74 -1.246705085e+00 -1.246705085e+00 3.76 -1.198595096e+00 -1.198595096e+00 3.78 -1.153250433e+00 -1.153250433e+00 3.80 -1.110517272e+00 -1.110517272e+00 3.82 -1.070228115e+00 -1.070228115e+00 3.84 -1.032209392e+00 -1.032209392e+00 3.86 -9.962873557e-01 -9.962873557e-01 3.88 -9.622923402e-01 -9.622923402e-01 3.90 -9.300615972e-01 -9.300615972e-01 3.92 -8.994408684e-01 -8.994408684e-01 3.94 -8.702856954e-01 -8.702856954e-01 3.96 -8.424609186e-01 -8.424609186e-01 3.98 -8.158411203e-01 -8.158411203e-01 4.00 -7.903102108e-01 -7.903102108e-01 4.02 -7.657611017e-01 -7.657611017e-01 4.04 -7.420953950e-01 -7.420953950e-01 4.06 -7.192231394e-01 -7.192231394e-01 4.08 -6.970626857e-01 -6.970626857e-01 4.10 -6.755402717e-01 -6.755402717e-01 4.12 -6.545917825e-01 -6.545917825e-01 4.14 -6.341603896e-01 -6.341603896e-01 4.16 -6.141987482e-01 -6.141987482e-01 4.18 -5.946689188e-01 -5.946689188e-01 4.20 -5.755427577e-01 -5.755427577e-01 4.22 -5.568021746e-01 -5.568021746e-01 4.24 -5.384391249e-01 -5.384391249e-01 4.26 -5.204552064e-01 -5.204552064e-01 4.28 -5.028607508e-01 -5.028607508e-01 4.30 -4.856733532e-01 -4.856733532e-01 4.32 -4.689158615e-01 -4.689158615e-01 4.34 -4.526139366e-01 -4.526139366e-01 4.36 -4.367933801e-01 -4.367933801e-01 4.38 -4.214774815e-01 -4.214774815e-01 4.40 -4.066846504e-01 -4.066846504e-01 4.42 -3.924265634e-01 -3.924265634e-01 4.44 -3.787069739e-01 -3.787069739e-01 4.46 -3.655212366e-01 -3.655212366e-01 4.48 -3.528564986e-01 -3.528564986e-01 4.50 -3.406924342e-01 -3.406924342e-01 4.52 -3.290023578e-01 -3.290023578e-01 4.54 -3.177545473e-01 -3.177545473e-01 4.56 -3.069135879e-01 -3.069135879e-01 4.58 -2.964416985e-01 -2.964416985e-01 4.60 -2.862999058e-01 -2.862999058e-01 4.62 -2.764486116e-01 -2.764486116e-01 4.64 -2.668486396e-01 -2.668486396e-01 4.66 -2.574636747e-01 -2.574636747e-01 4.68 -2.482588976e-01 -2.482588976e-01 4.70 -2.392016092e-01 -2.392016092e-01 4.72 -2.302618603e-01 -2.302618603e-01 4.74 -2.214130200e-01 -2.214130200e-01 4.76 -2.126323248e-01 -2.126323248e-01 4.78 -2.039014302e-01 -2.039014302e-01 4.80 -1.952067507e-01 -1.952067507e-01 4.82 -1.865408763e-01 -1.865408763e-01 4.84 -1.779016492e-01 -1.779016492e-01 4.86 -1.692934787e-01 -1.692934787e-01 4.88 -1.607273122e-01 -1.607273122e-01 4.90 -1.522205367e-01 -1.522205367e-01 4.92 -1.437965998e-01 -1.437965998e-01 4.94 -1.354842940e-01 -1.354842940e-01 4.96 -1.273166959e-01 -1.273166959e-01 4.98 -1.193297909e-01 -1.193297909e-01 5.00 -1.115608599e-01 -1.115608599e-01 5.02 -1.040467365e-01 -1.040467365e-01 5.04 -9.682206798e-02 -9.682206798e-02 5.06 -8.991771950e-02 -8.991771950e-02 5.08 -8.335944658e-02 -8.335944658e-02 5.10 -7.716693100e-02 -7.716693100e-02 5.12 -7.135323239e-02 -7.135323239e-02 5.14 -6.592466168e-02 -6.592466168e-02 5.16 -6.088104019e-02 -6.088104019e-02 5.18 -5.621627589e-02 -5.621627589e-02 5.20 -5.191916938e-02 -5.191916938e-02 5.22 -4.797435667e-02 -4.797435667e-02 5.24 -4.436330223e-02 -4.436330223e-02 5.26 -4.106526941e-02 -4.106526941e-02 5.28 -3.805821409e-02 -3.805821409e-02 5.30 -3.531956580e-02 -3.531956580e-02 5.32 -3.282687692e-02 -3.282687692e-02 5.34 -3.055833694e-02 -3.055833694e-02 5.36 -2.849315595e-02 -2.849315595e-02 5.38 -2.661182941e-02 -2.661182941e-02 5.40 -2.489629993e-02 -2.489629993e-02 5.42 -2.333003313e-02 -2.333003313e-02 5.44 -2.189802468e-02 -2.189802468e-02 5.46 -2.058675449e-02 -2.058675449e-02 5.48 -1.938410285e-02 -1.938410285e-02 5.50 -1.827917710e-02 -1.827917710e-02 5.52 -1.726229488e-02 -1.726229488e-02 5.54 -1.632487570e-02 -1.632487570e-02 5.56 -1.545924705e-02 -1.545924705e-02 5.58 -1.465853280e-02 -1.465853280e-02 5.60 -1.391655284e-02 -1.391655284e-02 5.62 -1.322773564e-02 -1.322773564e-02 5.64 -1.258704415e-02 -1.258704415e-02 5.66 -1.198991395e-02 -1.198991395e-02 5.68 -1.143220219e-02 -1.143220219e-02 5.70 -1.091014515e-02 -1.091014515e-02 5.72 -1.042032250e-02 -1.042032250e-02 5.74 -9.959626577e-03 -9.959626577e-03 5.76 -9.525235116e-03 -9.525235116e-03 5.78 -9.114586618e-03 -9.114586618e-03 5.80 -8.725357592e-03 -8.725357592e-03 5.82 -8.355441368e-03 -8.355441368e-03 5.84 -8.002928354e-03 -8.002928354e-03 5.86 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