# 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 = Au2Cu # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 3.087860397e+02 1.16 2.844838993e+02 1.18 2.621419927e+02 1.20 2.415886011e+02 1.22 2.226648061e+02 1.24 2.052227702e+02 1.26 1.891287749e+02 1.28 1.742658761e+02 1.30 1.605332554e+02 1.32 1.478425777e+02 1.34 1.361131903e+02 1.36 1.252688606e+02 1.38 1.152373880e+02 1.40 1.059516494e+02 1.42 9.735037149e+01 1.44 8.937831150e+01 1.46 8.198596445e+01 1.48 7.512885651e+01 1.50 6.876665717e+01 1.52 6.286230335e+01 1.54 5.738413453e+01 1.56 5.233302908e+01 1.58 4.768295582e+01 1.60 4.339978713e+01 1.62 3.945244227e+01 1.64 3.581300269e+01 1.66 3.245656732e+01 1.68 2.936087859e+01 1.70 2.650609026e+01 1.72 2.387457213e+01 1.74 2.145062289e+01 1.76 1.922002992e+01 1.78 1.716954164e+01 1.80 1.528641338e+01 1.82 1.355819290e+01 1.84 1.197279332e+01 1.86 1.051873692e+01 1.88 9.185387475e+00 1.90 7.963053570e+00 1.92 6.842949302e+00 1.94 5.817065156e+00 1.96 4.878021687e+00 1.98 4.018966140e+00 2.00 3.233536571e+00 2.02 2.515874156e+00 2.04 1.860638804e+00 2.06 1.262992493e+00 2.08 7.185459530e-01 2.10 2.232887235e-01 2.12 -2.264745283e-01 2.14 -6.341698882e-01 2.16 -1.002982215e+00 2.18 -1.335870430e+00 2.20 -1.635575884e+00 2.22 -1.904629271e+00 2.24 -2.145361205e+00 2.26 -2.359919991e+00 2.28 -2.550296609e+00 2.30 -2.718352451e+00 2.32 -2.865842354e+00 2.34 -2.994426020e+00 2.36 -3.105665976e+00 2.38 -3.201017083e+00 2.40 -3.281823591e+00 2.42 -3.349540405e+00 2.44 -3.405140463e+00 2.46 -3.449376164e+00 2.48 -3.483014213e+00 2.50 -3.506833264e+00 2.52 -3.521618921e+00 2.54 -3.528155567e+00 2.56 -3.527391776e+00 2.58 -3.520156945e+00 2.60 -3.506786703e+00 2.62 -3.487646114e+00 2.64 -3.463126489e+00 2.66 -3.433634779e+00 2.68 -3.399585453e+00 2.70 -3.361395300e+00 2.72 -3.319503670e+00 2.74 -3.274358824e+00 2.76 -3.226377329e+00 2.78 -3.175935622e+00 2.80 -3.123364983e+00 2.82 -3.068950146e+00 2.84 -3.012932364e+00 2.86 -2.955516289e+00 2.88 -2.896879218e+00 2.90 -2.837181235e+00 2.92 -2.776575234e+00 2.94 -2.715216245e+00 2.96 -2.653269667e+00 2.98 -2.590917793e+00 3.00 -2.528363659e+00 3.02 -2.465831019e+00 3.04 -2.403559412e+00 3.06 -2.341794128e+00 3.08 -2.280772144e+00 3.10 -2.220706481e+00 3.12 -2.161772149e+00 3.14 -2.104096566e+00 3.16 -2.047756072e+00 3.18 -1.992778531e+00 3.20 -1.939150621e+00 3.22 -1.886827748e+00 3.24 -1.835744627e+00 3.26 -1.785825061e+00 3.28 -1.736990140e+00 3.30 -1.689164582e+00 3.32 -1.642281263e+00 3.34 -1.596284134e+00 3.36 -1.551129751e+00 3.38 -1.506787638e+00 3.40 -1.463239694e+00 3.42 -1.420478852e+00 3.44 -1.378507219e+00 3.46 -1.337333919e+00 3.48 -1.296972842e+00 3.50 -1.257440497e+00 3.52 -1.218754100e+00 3.54 -1.180929972e+00 3.56 -1.143982309e+00 3.58 -1.107922305e+00 3.60 -1.072757590e+00 3.62 -1.038491953e+00 3.64 -1.005125271e+00 3.66 -9.726536030e-01 3.68 -9.410693908e-01 3.70 -9.103617299e-01 3.72 -8.805166789e-01 3.74 -8.515175826e-01 3.76 -8.233453947e-01 3.78 -7.959789895e-01 3.80 -7.693954543e-01 3.82 -7.435703582e-01 3.84 -7.184779940e-01 3.86 -6.940915890e-01 3.88 -6.703834852e-01 3.90 -6.473252864e-01 3.92 -6.248879773e-01 3.94 -6.030420238e-01 3.96 -5.817574541e-01 3.98 -5.610039519e-01 4.00 -5.407509675e-01 4.02 -5.209678742e-01 4.04 -5.016241904e-01 4.06 -4.826898930e-01 4.08 -4.641358383e-01 4.10 -4.459343059e-01 4.12 -4.280596749e-01 4.14 -4.104892073e-01 4.16 -3.932039367e-01 4.18 -3.761895981e-01 4.20 -3.594375400e-01 4.22 -3.429455327e-01 4.24 -3.267183768e-01 4.26 -3.107682125e-01 4.28 -2.951144500e-01 4.30 -2.797832640e-01 4.32 -2.648066441e-01 4.34 -2.502210343e-01 4.36 -2.360656422e-01 4.38 -2.223805274e-01 4.40 -2.092045962e-01 4.42 -1.965736282e-01 4.44 -1.845184531e-01 4.46 -1.730633807e-01 4.48 -1.622249713e-01 4.50 -1.520112189e-01 4.52 -1.424211910e-01 4.54 -1.334451433e-01 4.56 -1.250650858e-01 4.58 -1.172557387e-01 4.60 -1.099857844e-01 4.62 -1.032193074e-01 4.64 -9.691729944e-02 4.66 -9.103871067e-02 4.68 -8.554245664e-02 4.70 -8.038904190e-02 4.72 -7.554057360e-02 4.74 -7.096164405e-02 4.76 -6.661999262e-02 4.78 -6.248697061e-02 4.80 -5.853784067e-02 4.82 -5.475194596e-02 4.84 -5.111274769e-02 4.86 -4.760776986e-02 4.88 -4.422843302e-02 4.90 -4.096978554e-02 4.92 -3.783012979e-02 4.94 -3.481054598e-02 4.96 -3.191432368e-02 4.98 -2.914632105e-02 5.00 -2.651228185e-02 5.02 -2.401814889e-02 5.04 -2.166941730e-02 5.06 -1.947056967e-02 5.08 -1.742462881e-02 5.10 -1.553285229e-02 5.12 -1.379457714e-02 5.14 -1.220721055e-02 5.16 -1.076634835e-02 5.18 -9.465992218e-03 5.20 -8.298818666e-03 5.22 -7.256333690e-03 5.24 -6.329658020e-03 5.26 -5.509589531e-03 5.28 -4.786784672e-03 5.30 -4.152009520e-03 5.32 -3.596337385e-03 5.34 -3.111294819e-03 5.36 -2.688961002e-03 5.38 -2.322027163e-03 5.40 -2.003823370e-03 5.42 -1.728319871e-03 5.44 -1.490109526e-03 5.46 -1.284377005e-03 5.48 -1.106859428e-03 5.50 -9.538021632e-04 5.52 -8.219126300e-04 5.54 -7.083141819e-04 5.56 -6.105015407e-04 5.58 -5.262987350e-04 5.60 -4.538201252e-04 5.62 -3.914348005e-04 5.64 -3.377344284e-04 5.66 -2.915044926e-04 5.68 -2.516987575e-04 5.70 -2.174167415e-04 5.72 -1.878839491e-04 5.74 -1.624345987e-04 5.76 -1.404965875e-04 5.78 -1.215784438e-04 5.80 -1.052580324e-04 5.82 -9.117279779e-05 5.84 -7.901135295e-05 5.86 -6.850623566e-05 5.88 -5.942767998e-05 5.90 -5.157826474e-05 5.92 -4.478831917e-05 5.94 -3.891198108e-05 5.96 -3.382381613e-05 5.98 -2.941591953e-05 6.00 -2.559543157e-05