# 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 = Ag2CuZr # 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 2.534173171e+02 2.534173171e+02 1.30 2.348403820e+02 2.348403820e+02 1.32 2.176517186e+02 2.176517186e+02 1.34 2.017402679e+02 2.017402679e+02 1.36 1.870027709e+02 1.870027709e+02 1.38 1.733447538e+02 1.733447538e+02 1.40 1.606806695e+02 1.606806695e+02 1.42 1.489329049e+02 1.489329049e+02 1.44 1.380303921e+02 1.380303921e+02 1.46 1.279076188e+02 1.279076188e+02 1.48 1.185043472e+02 1.185043472e+02 1.50 1.097656610e+02 1.097656610e+02 1.52 1.016418168e+02 1.016418168e+02 1.54 9.408759502e+01 9.408759502e+01 1.56 8.706153665e+01 8.706153665e+01 1.58 8.052545424e+01 8.052545424e+01 1.60 7.444423884e+01 7.444423884e+01 1.62 6.878567418e+01 6.878567418e+01 1.64 6.352012637e+01 6.352012637e+01 1.66 5.862013040e+01 5.862013040e+01 1.68 5.406005117e+01 5.406005117e+01 1.70 4.981596717e+01 4.981596717e+01 1.72 4.586567128e+01 4.586567128e+01 1.74 4.218899119e+01 4.218899119e+01 1.76 3.876667276e+01 3.876667276e+01 1.78 3.558065150e+01 3.558065150e+01 1.80 3.261586334e+01 3.261586334e+01 1.82 2.985755723e+01 2.985755723e+01 1.84 2.729103729e+01 2.729103729e+01 1.86 2.490276129e+01 2.490276129e+01 1.88 2.268031864e+01 2.268031864e+01 1.90 2.061238416e+01 2.061238416e+01 1.92 1.868861586e+01 1.868861586e+01 1.94 1.689950777e+01 1.689950777e+01 1.96 1.523624968e+01 1.523624968e+01 1.98 1.369064700e+01 1.369064700e+01 2.00 1.225507823e+01 1.225507823e+01 2.02 1.092244961e+01 1.092244961e+01 2.04 9.686135027e+00 9.686135027e+00 2.06 8.539902973e+00 8.539902973e+00 2.08 7.477840164e+00 7.477840164e+00 2.10 6.494309013e+00 6.494309013e+00 2.12 5.583933261e+00 5.583933261e+00 2.14 4.741615086e+00 4.741615086e+00 2.16 3.962570131e+00 3.962570131e+00 2.18 3.242344301e+00 3.242344301e+00 2.20 2.576815403e+00 2.576815403e+00 2.22 1.962162540e+00 1.962162540e+00 2.24 1.394837176e+00 1.394837176e+00 2.26 8.715437252e-01 8.715437252e-01 2.28 3.892178140e-01 3.892178140e-01 2.30 -5.496199369e-02 -5.496199369e-02 2.32 -4.636070864e-01 -4.636070864e-01 2.34 -8.391158008e-01 -8.391158008e-01 2.36 -1.183703267e+00 -1.183703267e+00 2.38 -1.499418827e+00 -1.499418827e+00 2.40 -1.788169113e+00 -1.788169113e+00 2.42 -2.051747879e+00 -2.051747879e+00 2.44 -2.291857029e+00 -2.291857029e+00 2.46 -2.510189043e+00 -2.510189043e+00 2.48 -2.708286028e+00 -2.708286028e+00 2.50 -2.887570419e+00 -2.887570419e+00 2.52 -3.049405560e+00 -3.049405560e+00 2.54 -3.195084497e+00 -3.195084497e+00 2.56 -3.325824488e+00 -3.325824488e+00 2.58 -3.442767485e+00 -3.442767485e+00 2.60 -3.546975088e+00 -3.546975088e+00 2.62 -3.639313497e+00 -3.639313497e+00 2.64 -3.720532167e+00 -3.720532167e+00 2.66 -3.791358279e+00 -3.791358279e+00 2.68 -3.852498354e+00 -3.852498354e+00 2.70 -3.904626139e+00 -3.904626139e+00 2.72 -3.948374579e+00 -3.948374579e+00 2.74 -3.984329703e+00 -3.984329703e+00 2.76 -4.013025982e+00 -4.013025982e+00 2.78 -4.034941350e+00 -4.034941350e+00 2.80 -4.050545190e+00 -4.050545190e+00 2.82 -4.060386694e+00 -4.060386694e+00 2.84 -4.064642540e+00 -4.064642540e+00 2.86 -4.063445927e+00 -4.063445927e+00 2.88 -4.056951926e+00 -4.056951926e+00 2.90 -4.045341149e+00 -4.045341149e+00 2.92 -4.028822487e+00 -4.028822487e+00 2.94 -4.007634037e+00 -4.007634037e+00 2.96 -3.982041906e+00 -3.982041906e+00 2.98 -3.952339851e+00 -3.952339851e+00 3.00 -3.918858238e+00 -3.918858238e+00 3.02 -3.881943462e+00 -3.881943462e+00 3.04 -3.841942671e+00 -3.841942671e+00 3.06 -3.799220792e+00 -3.799220792e+00 3.08 -3.754269071e+00 -3.754269071e+00 3.10 -3.707320402e+00 -3.707320402e+00 3.12 -3.658530026e+00 -3.658530026e+00 3.14 -3.608061449e+00 -3.608061449e+00 3.16 -3.556068403e+00 -3.556068403e+00 3.18 -3.502700351e+00 -3.502700351e+00 3.20 -3.448098677e+00 -3.448098677e+00 3.22 -3.392397285e+00 -3.392397285e+00 3.24 -3.335724961e+00 -3.335724961e+00 3.26 -3.278213628e+00 -3.278213628e+00 3.28 -3.220004268e+00 -3.220004268e+00 3.30 -3.161239535e+00 -3.161239535e+00 3.32 -3.102062925e+00 -3.102062925e+00 3.34 -3.042616419e+00 -3.042616419e+00 3.36 -2.983036339e+00 -2.983036339e+00 3.38 -2.923448789e+00 -2.923448789e+00 3.40 -2.863964982e+00 -2.863964982e+00 3.42 -2.804684080e+00 -2.804684080e+00 3.44 -2.745686057e+00 -2.745686057e+00 3.46 -2.687038468e+00 -2.687038468e+00 3.48 -2.628797240e+00 -2.628797240e+00 3.50 -2.571008811e+00 -2.571008811e+00 3.52 -2.513711817e+00 -2.513711817e+00 3.54 -2.456938182e+00 -2.456938182e+00 3.56 -2.400713719e+00 -2.400713719e+00 3.58 -2.345058395e+00 -2.345058395e+00 3.60 -2.289986508e+00 -2.289986508e+00 3.62 -2.235506938e+00 -2.235506938e+00 3.64 -2.181623664e+00 -2.181623664e+00 3.66 -2.128336651e+00 -2.128336651e+00 3.68 -2.075643196e+00 -2.075643196e+00 3.70 -2.023539749e+00 -2.023539749e+00 3.72 -1.972024191e+00 -1.972024191e+00 3.74 -1.921098410e+00 -1.921098410e+00 3.76 -1.870770981e+00 -1.870770981e+00 3.78 -1.821059596e+00 -1.821059596e+00 3.80 -1.771992832e+00 -1.771992832e+00 3.82 -1.723610821e+00 -1.723610821e+00 3.84 -1.675964447e+00 -1.675964447e+00 3.86 -1.629112888e+00 -1.629112888e+00 3.88 -1.583119633e+00 -1.583119633e+00 3.90 -1.538047416e+00 -1.538047416e+00 3.92 -1.493951490e+00 -1.493951490e+00 3.94 -1.450880314e+00 -1.450880314e+00 3.96 -1.408863190e+00 -1.408863190e+00 3.98 -1.367914657e+00 -1.367914657e+00 4.00 -1.328032878e+00 -1.328032878e+00 4.02 -1.289201253e+00 -1.289201253e+00 4.04 -1.251391104e+00 -1.251391104e+00 4.06 -1.214564865e+00 -1.214564865e+00 4.08 -1.178679300e+00 -1.178679300e+00 4.10 -1.143684492e+00 -1.143684492e+00 4.12 -1.109542715e+00 -1.109542715e+00 4.14 -1.076204467e+00 -1.076204467e+00 4.16 -1.043628206e+00 -1.043628206e+00 4.18 -1.011776642e+00 -1.011776642e+00 4.20 -9.806175938e-01 -9.806175938e-01 4.22 -9.501246432e-01 -9.501246432e-01 4.24 -9.202775963e-01 -9.202775963e-01 4.26 -8.910627650e-01 -8.910627650e-01 4.28 -8.624730332e-01 -8.624730332e-01 4.30 -8.345076752e-01 -8.345076752e-01 4.32 -8.071718906e-01 -8.071718906e-01 4.34 -7.804760400e-01 -7.804760400e-01 4.36 -7.544345872e-01 -7.544345872e-01 4.38 -7.290647888e-01 -7.290647888e-01 4.40 -7.043851931e-01 -7.043851931e-01 4.42 -6.804140393e-01 -6.804140393e-01 4.44 -6.571676575e-01 -6.571676575e-01 4.46 -6.346589792e-01 -6.346589792e-01 4.48 -6.128962600e-01 -6.128962600e-01 4.50 -5.918821047e-01 -5.918821047e-01 4.52 -5.716128577e-01 -5.716128577e-01 4.54 -5.520783915e-01 -5.520783915e-01 4.56 -5.332622867e-01 -5.332622867e-01 4.58 -5.151423613e-01 -5.151423613e-01 4.60 -4.976914796e-01 -4.976914796e-01 4.62 -4.808785503e-01 -4.808785503e-01 4.64 -4.646696246e-01 -4.646696246e-01 4.66 -4.490290079e-01 -4.490290079e-01 4.68 -4.339203220e-01 -4.339203220e-01 4.70 -4.193074700e-01 -4.193074700e-01 4.72 -4.051554832e-01 -4.051554832e-01 4.74 -3.914312416e-01 -3.914312416e-01 4.76 -3.781040732e-01 -3.781040732e-01 4.78 -3.651462454e-01 -3.651462454e-01 4.80 -3.525302264e-01 -3.525302264e-01 4.82 -3.402420489e-01 -3.402420489e-01 4.84 -3.282610509e-01 -3.282610509e-01 4.86 -3.165743249e-01 -3.165743249e-01 4.88 -3.051729658e-01 -3.051729658e-01 4.90 -2.940519749e-01 -2.940519749e-01 4.92 -2.832100270e-01 -2.832100270e-01 4.94 -2.726490899e-01 -2.726490899e-01 4.96 -2.623738904e-01 -2.623738904e-01 4.98 -2.523912407e-01 -2.523912407e-01 5.00 -2.427092490e-01 -2.427092490e-01 5.02 -2.333364601e-01 -2.333364601e-01 5.04 -2.242809800e-01 -2.242809800e-01 5.06 -2.155496488e-01 -2.155496488e-01 5.08 -2.071473241e-01 -2.071473241e-01 5.10 -1.990763248e-01 -1.990763248e-01 5.12 -1.913360738e-01 -1.913360738e-01 5.14 -1.839229542e-01 -1.839229542e-01 5.16 -1.768303715e-01 -1.768303715e-01 5.18 -1.700489993e-01 -1.700489993e-01 5.20 -1.635670860e-01 -1.635670860e-01 5.22 -1.573709849e-01 -1.573709849e-01 5.24 -1.514460183e-01 -1.514460183e-01 5.26 -1.457767231e-01 -1.457767231e-01 5.28 -1.403473978e-01 -1.403473978e-01 5.30 -1.351426161e-01 -1.351426161e-01 5.32 -1.301476713e-01 -1.301476713e-01 5.34 -1.253489390e-01 -1.253489390e-01 5.36 -1.207341508e-01 -1.207341508e-01 5.38 -1.162925742e-01 -1.162925742e-01 5.40 -1.120150976e-01 -1.120150976e-01 5.42 -1.078942220e-01 -1.078942220e-01 5.44 -1.039239621e-01 -1.039239621e-01 5.46 -1.000996680e-01 -1.000996680e-01 5.48 -9.641778135e-02 -9.641778135e-02 5.50 -9.287554275e-02 -9.287554275e-02 5.52 -8.947067793e-02 -8.947067793e-02 5.54 -8.620108600e-02 -8.620108600e-02 5.56 -8.306455530e-02 -8.306455530e-02 5.58 -8.005852825e-02 -8.005852825e-02 5.60 -7.717990877e-02 -7.717990877e-02 5.62 -7.442488130e-02 -7.442488130e-02 5.64 -7.178916208e-02 -7.178916208e-02 5.66 -6.926785013e-02 -6.926785013e-02 5.68 -6.685546774e-02 -6.685546774e-02 5.70 -6.454607484e-02 -6.454607484e-02 5.72 -6.233339866e-02 -6.233339866e-02 5.74 -6.021096482e-02 -6.021096482e-02 5.76 -5.817221960e-02 -5.817221960e-02 5.78 -5.621063633e-02 -5.621063633e-02 5.80 -5.431980248e-02 -5.431980248e-02 5.82 -5.249348661e-02 -5.249348661e-02 5.84 -5.072568662e-02 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