# 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 = Ag2PtZr # 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 3.642413430e+02 3.642413430e+02 1.30 3.393702419e+02 3.393702419e+02 1.32 3.162263468e+02 3.162263468e+02 1.34 2.946833128e+02 2.946833128e+02 1.36 2.746290746e+02 2.746290746e+02 1.38 2.559564376e+02 2.559564376e+02 1.40 2.385584879e+02 2.385584879e+02 1.42 2.223311989e+02 2.223311989e+02 1.44 2.071785764e+02 2.071785764e+02 1.46 1.930165192e+02 1.930165192e+02 1.48 1.797737258e+02 1.797737258e+02 1.50 1.673894834e+02 1.673894834e+02 1.52 1.558093672e+02 1.558093672e+02 1.54 1.449814205e+02 1.449814205e+02 1.56 1.348540709e+02 1.348540709e+02 1.58 1.253762241e+02 1.253762241e+02 1.60 1.164985637e+02 1.164985637e+02 1.62 1.081751633e+02 1.081751633e+02 1.64 1.003646646e+02 1.003646646e+02 1.66 9.303085012e+01 9.303085012e+01 1.68 8.614253904e+01 8.614253904e+01 1.70 7.967269807e+01 7.967269807e+01 1.72 7.359729272e+01 7.359729272e+01 1.74 6.789401107e+01 6.789401107e+01 1.76 6.254117855e+01 6.254117855e+01 1.78 5.751722274e+01 5.751722274e+01 1.80 5.280126557e+01 5.280126557e+01 1.82 4.837308437e+01 4.837308437e+01 1.84 4.424117105e+01 4.424117105e+01 1.86 4.041655414e+01 4.041655414e+01 1.88 3.687645609e+01 3.687645609e+01 1.90 3.359850523e+01 3.359850523e+01 1.92 3.056214939e+01 3.056214939e+01 1.94 2.774878991e+01 2.774878991e+01 1.96 2.514176889e+01 2.514176889e+01 1.98 2.272623391e+01 2.272623391e+01 2.00 2.048887524e+01 2.048887524e+01 2.02 1.841758937e+01 1.841758937e+01 2.04 1.650116184e+01 1.650116184e+01 2.06 1.472903642e+01 1.472903642e+01 2.08 1.309120590e+01 1.309120590e+01 2.10 1.157814971e+01 1.157814971e+01 2.12 1.018085062e+01 1.018085062e+01 2.14 8.890802191e+00 8.890802191e+00 2.16 7.700036012e+00 7.700036012e+00 2.18 6.601142602e+00 6.601142602e+00 2.20 5.587289800e+00 5.587289800e+00 2.22 4.652211151e+00 4.652211151e+00 2.24 3.790185559e+00 3.790185559e+00 2.26 2.996007711e+00 2.996007711e+00 2.28 2.264962283e+00 2.264962283e+00 2.30 1.592778431e+00 1.592778431e+00 2.32 9.755783694e-01 9.755783694e-01 2.34 4.098281108e-01 4.098281108e-01 2.36 -1.077399513e-01 -1.077399513e-01 2.38 -5.801876974e-01 -5.801876974e-01 2.40 -1.010425200e+00 -1.010425200e+00 2.42 -1.401256374e+00 -1.401256374e+00 2.44 -1.755404422e+00 -1.755404422e+00 2.46 -2.075532381e+00 -2.075532381e+00 2.48 -2.364245989e+00 -2.364245989e+00 2.50 -2.624084381e+00 -2.624084381e+00 2.52 -2.857498958e+00 -2.857498958e+00 2.54 -3.066823424e+00 -3.066823424e+00 2.56 -3.254296225e+00 -3.254296225e+00 2.58 -3.421904653e+00 -3.421904653e+00 2.60 -3.571689780e+00 -3.571689780e+00 2.62 -3.706273883e+00 -3.706273883e+00 2.64 -3.826773389e+00 -3.826773389e+00 2.66 -3.934049738e+00 -3.934049738e+00 2.68 -4.028878614e+00 -4.028878614e+00 2.70 -4.111961058e+00 -4.111961058e+00 2.72 -4.183884873e+00 -4.183884873e+00 2.74 -4.245087993e+00 -4.245087993e+00 2.76 -4.295992527e+00 -4.295992527e+00 2.78 -4.337021796e+00 -4.337021796e+00 2.80 -4.368605039e+00 -4.368605039e+00 2.82 -4.391165077e+00 -4.391165077e+00 2.84 -4.405127004e+00 -4.405127004e+00 2.86 -4.410920006e+00 -4.410920006e+00 2.88 -4.408984417e+00 -4.408984417e+00 2.90 -4.399780768e+00 -4.399780768e+00 2.92 -4.383798743e+00 -4.383798743e+00 2.94 -4.361563270e+00 -4.361563270e+00 2.96 -4.333634838e+00 -4.333634838e+00 2.98 -4.300602020e+00 -4.300602020e+00 3.00 -4.263066086e+00 -4.263066086e+00 3.02 -4.221620014e+00 -4.221620014e+00 3.04 -4.176823116e+00 -4.176823116e+00 3.06 -4.129194589e+00 -4.129194589e+00 3.08 -4.079180860e+00 -4.079180860e+00 3.10 -4.027165585e+00 -4.027165585e+00 3.12 -3.973466569e+00 -3.973466569e+00 3.14 -3.918350369e+00 -3.918350369e+00 3.16 -3.862030207e+00 -3.862030207e+00 3.18 -3.804684334e+00 -3.804684334e+00 3.20 -3.746579342e+00 -3.746579342e+00 3.22 -3.687852758e+00 -3.687852758e+00 3.24 -3.628496275e+00 -3.628496275e+00 3.26 -3.568516616e+00 -3.568516616e+00 3.28 -3.507937588e+00 -3.507937588e+00 3.30 -3.446801227e+00 -3.446801227e+00 3.32 -3.385167139e+00 -3.385167139e+00 3.34 -3.323109741e+00 -3.323109741e+00 3.36 -3.260713769e+00 -3.260713769e+00 3.38 -3.198069220e+00 -3.198069220e+00 3.40 -3.135269789e+00 -3.135269789e+00 3.42 -3.072415337e+00 -3.072415337e+00 3.44 -3.009620669e+00 -3.009620669e+00 3.46 -2.947025631e+00 -2.947025631e+00 3.48 -2.884754001e+00 -2.884754001e+00 3.50 -2.822912285e+00 -2.822912285e+00 3.52 -2.761591641e+00 -2.761591641e+00 3.54 -2.700869239e+00 -2.700869239e+00 3.56 -2.640809149e+00 -2.640809149e+00 3.58 -2.581462880e+00 -2.581462880e+00 3.60 -2.522869770e+00 -2.522869770e+00 3.62 -2.465057345e+00 -2.465057345e+00 3.64 -2.408041799e+00 -2.408041799e+00 3.66 -2.351828706e+00 -2.351828706e+00 3.68 -2.296414052e+00 -2.296414052e+00 3.70 -2.241785654e+00 -2.241785654e+00 3.72 -2.187925017e+00 -2.187925017e+00 3.74 -2.134809581e+00 -2.134809581e+00 3.76 -2.082415305e+00 -2.082415305e+00 3.78 -2.030719368e+00 -2.030719368e+00 3.80 -1.979702748e+00 -1.979702748e+00 3.82 -1.929352298e+00 -1.929352298e+00 3.84 -1.879661985e+00 -1.879661985e+00 3.86 -1.830632992e+00 -1.830632992e+00 3.88 -1.782272583e+00 -1.782272583e+00 3.90 -1.734591895e+00 -1.734591895e+00 3.92 -1.687601886e+00 -1.687601886e+00 3.94 -1.641315419e+00 -1.641315419e+00 3.96 -1.595736974e+00 -1.595736974e+00 3.98 -1.550867020e+00 -1.550867020e+00 4.00 -1.506700513e+00 -1.506700513e+00 4.02 -1.463228164e+00 -1.463228164e+00 4.04 -1.420438675e+00 -1.420438675e+00 4.06 -1.378321547e+00 -1.378321547e+00 4.08 -1.336870041e+00 -1.336870041e+00 4.10 -1.296080271e+00 -1.296080271e+00 4.12 -1.255968558e+00 -1.255968558e+00 4.14 -1.216548762e+00 -1.216548762e+00 4.16 -1.177849453e+00 -1.177849453e+00 4.18 -1.139908611e+00 -1.139908611e+00 4.20 -1.102771751e+00 -1.102771751e+00 4.22 -1.066489130e+00 -1.066489130e+00 4.24 -1.031112339e+00 -1.031112339e+00 4.26 -9.966906535e-01 -9.966906535e-01 4.28 -9.632675438e-01 -9.632675438e-01 4.30 -9.308776963e-01 -9.308776963e-01 4.32 -8.995448012e-01 -8.995448012e-01 4.34 -8.692802220e-01 -8.692802220e-01 4.36 -8.400825396e-01 -8.400825396e-01 4.38 -8.119378614e-01 -8.119378614e-01 4.40 -7.848207362e-01 -7.848207362e-01 4.42 -7.586954975e-01 -7.586954975e-01 4.44 -7.335178712e-01 -7.335178712e-01 4.46 -7.092367109e-01 -7.092367109e-01 4.48 -6.857957538e-01 -6.857957538e-01 4.50 -6.631353209e-01 -6.631353209e-01 4.52 -6.411939079e-01 -6.411939079e-01 4.54 -6.199096419e-01 -6.199096419e-01 4.56 -5.992215929e-01 -5.992215929e-01 4.58 -5.790709514e-01 -5.790709514e-01 4.60 -5.594020912e-01 -5.594020912e-01 4.62 -5.401635444e-01 -5.401635444e-01 4.64 -5.213089122e-01 -5.213089122e-01 4.66 -5.027977283e-01 -5.027977283e-01 4.68 -4.845962758e-01 -4.845962758e-01 4.70 -4.666783402e-01 -4.666783402e-01 4.72 -4.490258598e-01 -4.490258598e-01 4.74 -4.316294167e-01 -4.316294167e-01 4.76 -4.144884962e-01 -4.144884962e-01 4.78 -3.976114418e-01 -3.976114418e-01 4.80 -3.810119082e-01 -3.810119082e-01 4.82 -3.647210925e-01 -3.647210925e-01 4.84 -3.487660196e-01 -3.487660196e-01 4.86 -3.331822507e-01 -3.331822507e-01 4.88 -3.180082161e-01 -3.180082161e-01 4.90 -3.032831661e-01 -3.032831661e-01 4.92 -2.890451177e-01 -2.890451177e-01 4.94 -2.753289463e-01 -2.753289463e-01 4.96 -2.621647536e-01 -2.621647536e-01 4.98 -2.495766067e-01 -2.495766067e-01 5.00 -2.375816972e-01 -2.375816972e-01 5.02 -2.261899263e-01 -2.261899263e-01 5.04 -2.154038837e-01 -2.154038837e-01 5.06 -2.052191631e-01 -2.052191631e-01 5.08 -1.956249439e-01 -1.956249439e-01 5.10 -1.866047649e-01 -1.866047649e-01 5.12 -1.781374187e-01 -1.781374187e-01 5.14 -1.701979079e-01 -1.701979079e-01 5.16 -1.627584063e-01 -1.627584063e-01 5.18 -1.557891849e-01 -1.557891849e-01 5.20 -1.492593902e-01 -1.492593902e-01 5.22 -1.431378228e-01 -1.431378228e-01 5.24 -1.373939328e-01 -1.373939328e-01 5.26 -1.319980368e-01 -1.319980368e-01 5.28 -1.269217415e-01 -1.269217415e-01 5.30 -1.221382751e-01 -1.221382751e-01 5.32 -1.176227124e-01 -1.176227124e-01 5.34 -1.133521076e-01 -1.133521076e-01 5.36 -1.093055476e-01 -1.093055476e-01 5.38 -1.054641384e-01 -1.054641384e-01 5.40 -1.018109371e-01 -1.018109371e-01 5.42 -9.833084163e-02 -9.833084163e-02 5.44 -9.501044799e-02 -9.501044799e-02 5.46 -9.183788464e-02 -9.183788464e-02 5.48 -8.880263114e-02 -8.880263114e-02 5.50 -8.589534083e-02 -8.589534083e-02 5.52 -8.310765938e-02 -8.310765938e-02 5.54 -8.043205260e-02 -8.043205260e-02 5.56 -7.786165377e-02 -7.786165377e-02 5.58 -7.539013174e-02 -7.539013174e-02 5.60 -7.301166710e-02 -7.301166710e-02 5.62 -7.072119096e-02 -7.072119096e-02 5.64 -6.851316043e-02 -6.851316043e-02 5.66 -6.638223731e-02 -6.638223731e-02 5.68 -6.432339832e-02 -6.432339832e-02 5.70 -6.233188379e-02 -6.233188379e-02 5.72 -6.040315810e-02 -6.040315810e-02 5.74 -5.853287977e-02 -5.853287977e-02 5.76 -5.671687877e-02 -5.671687877e-02 5.78 -5.495113919e-02 -5.495113919e-02 5.80 -5.323178568e-02 -5.323178568e-02 5.82 -5.155507260e-02 -5.155507260e-02 5.84 -4.991737546e-02 -4.991737546e-02 5.86 -4.831518453e-02 -4.831518453e-02 5.88 -4.674510095e-02 -4.674510095e-02 5.90 -4.520383589e-02 -4.520383589e-02 5.92 -4.368821364e-02 -4.368821364e-02 5.94 -4.219517934e-02 -4.219517934e-02 5.96 -4.072181227e-02 -4.072181227e-02 5.98 -3.926534556e-02 -3.926534556e-02 6.00 -3.782319290e-02 -3.782319290e-02