# 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 = AlZr2 # 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 3.093931874e+02 1.16 2.868359368e+02 1.18 2.660311657e+02 1.20 2.468263741e+02 1.22 2.290806716e+02 1.24 2.126660584e+02 1.26 1.974693261e+02 1.28 1.833911574e+02 1.30 1.703429803e+02 1.32 1.582438930e+02 1.34 1.470190646e+02 1.36 1.365996994e+02 1.38 1.269235697e+02 1.40 1.179346239e+02 1.42 1.095814681e+02 1.44 1.018157223e+02 1.46 9.459114126e+01 1.48 8.786396661e+01 1.50 8.159416190e+01 1.52 7.574648648e+01 1.54 7.029039568e+01 1.56 6.519914278e+01 1.58 6.044867399e+01 1.60 5.601672813e+01 1.62 5.188211657e+01 1.64 4.802436239e+01 1.66 4.442361679e+01 1.68 4.106089443e+01 1.70 3.791851907e+01 1.72 3.498038047e+01 1.74 3.223192914e+01 1.76 2.965996977e+01 1.78 2.725246644e+01 1.80 2.499929908e+01 1.82 2.289102439e+01 1.84 2.091807067e+01 1.86 1.907153649e+01 1.88 1.734318365e+01 1.90 1.572596316e+01 1.92 1.421436834e+01 1.94 1.280177713e+01 1.96 1.148184739e+01 1.98 1.024861830e+01 2.00 9.096572705e+00 2.02 8.020686436e+00 2.04 7.016429493e+00 2.06 6.079693064e+00 2.08 5.206653150e+00 2.10 4.393656004e+00 2.12 3.637125767e+00 2.14 2.933543003e+00 2.16 2.279471493e+00 2.18 1.671585956e+00 2.20 1.106717269e+00 2.22 5.818552815e-01 2.24 9.416807666e-02 2.26 -3.589643157e-01 2.28 -7.799282315e-01 2.30 -1.170812863e+00 2.32 -1.533438220e+00 2.34 -1.869373178e+00 2.36 -2.180002713e+00 2.38 -2.466592606e+00 2.40 -2.730348762e+00 2.42 -2.972471920e+00 2.44 -3.194172657e+00 2.46 -3.396684109e+00 2.48 -3.581241646e+00 2.50 -3.749054209e+00 2.52 -3.901280167e+00 2.54 -4.039018714e+00 2.56 -4.163317022e+00 2.58 -4.275215469e+00 2.60 -4.375842992e+00 2.62 -4.466002346e+00 2.64 -4.546444602e+00 2.66 -4.617887221e+00 2.68 -4.680995539e+00 2.70 -4.736366429e+00 2.72 -4.784526567e+00 2.74 -4.825937139e+00 2.76 -4.860845177e+00 2.78 -4.889253398e+00 2.80 -4.911213314e+00 2.82 -4.926807638e+00 2.84 -4.936157512e+00 2.86 -4.939408826e+00 2.88 -4.936727853e+00 2.90 -4.928299666e+00 2.92 -4.914328173e+00 2.94 -4.895036892e+00 2.96 -4.870669866e+00 2.98 -4.841492274e+00 3.00 -4.807790315e+00 3.02 -4.769869963e+00 3.04 -4.728047704e+00 3.06 -4.682674234e+00 3.08 -4.634392486e+00 3.10 -4.584094967e+00 3.12 -4.531855973e+00 3.14 -4.477762323e+00 3.16 -4.421927326e+00 3.18 -4.364490156e+00 3.20 -4.305603837e+00 3.22 -4.245425996e+00 3.24 -4.184111896e+00 3.26 -4.121811806e+00 3.28 -4.058679234e+00 3.30 -3.994867784e+00 3.32 -3.930524441e+00 3.34 -3.865789635e+00 3.36 -3.800795411e+00 3.38 -3.735662478e+00 3.40 -3.670495046e+00 3.42 -3.605389707e+00 3.44 -3.540419329e+00 3.46 -3.475646414e+00 3.48 -3.411122431e+00 3.50 -3.346890358e+00 3.52 -3.282986809e+00 3.54 -3.219443514e+00 3.56 -3.156288153e+00 3.58 -3.093544683e+00 3.60 -3.031233347e+00 3.62 -2.969370575e+00 3.64 -2.907968990e+00 3.66 -2.847037680e+00 3.68 -2.786582920e+00 3.70 -2.726609454e+00 3.72 -2.667122432e+00 3.74 -2.608129979e+00 3.76 -2.549646276e+00 3.78 -2.491694816e+00 3.80 -2.434311355e+00 3.82 -2.377545869e+00 3.84 -2.321462831e+00 3.86 -2.266139258e+00 3.88 -2.211660351e+00 3.90 -2.158113132e+00 3.92 -2.105574430e+00 3.94 -2.054123088e+00 3.96 -2.003803852e+00 3.98 -1.954645949e+00 4.00 -1.906657147e+00 4.02 -1.859826046e+00 4.04 -1.814126068e+00 4.06 -1.769520180e+00 4.08 -1.725965544e+00 4.10 -1.683412681e+00 4.12 -1.641828605e+00 4.14 -1.601167118e+00 4.16 -1.561392221e+00 4.18 -1.522472575e+00 4.20 -1.484381373e+00 4.22 -1.447095877e+00 4.24 -1.410596779e+00 4.26 -1.374867476e+00 4.28 -1.339893361e+00 4.30 -1.305661160e+00 4.32 -1.272158343e+00 4.34 -1.239372634e+00 4.36 -1.207291600e+00 4.38 -1.175902327e+00 4.40 -1.145191171e+00 4.42 -1.115143572e+00 4.44 -1.085743910e+00 4.46 -1.056975411e+00 4.48 -1.028820086e+00 4.50 -1.001258689e+00 4.52 -9.742707123e-01 4.54 -9.478344022e-01 4.56 -9.219268025e-01 4.58 -8.965238348e-01 4.60 -8.716004208e-01 4.62 -8.471306541e-01 4.64 -8.230880364e-01 4.66 -7.994457850e-01 4.68 -7.761772254e-01 4.70 -7.532562762e-01 4.72 -7.306580313e-01 4.74 -7.083594389e-01 4.76 -6.863400675e-01 4.78 -6.645829387e-01 4.80 -6.430672969e-01 4.82 -6.218032119e-01 4.84 -6.007794346e-01 4.86 -5.800010126e-01 4.88 -5.594799164e-01 4.90 -5.392350935e-01 4.92 -5.192921302e-01 4.94 -4.996824757e-01 4.96 -4.804422259e-01 4.98 -4.616105078e-01 5.00 -4.432275580e-01 5.02 -4.253326324e-01 5.04 -4.079619128e-01 5.06 -3.911465842e-01 5.08 -3.749112422e-01 5.10 -3.592727517e-01 5.12 -3.442396271e-01 5.14 -3.298119492e-01 5.16 -3.159817803e-01 5.18 -3.027339995e-01 5.20 -2.900474573e-01 5.22 -2.778963375e-01 5.24 -2.662516206e-01 5.26 -2.550825586e-01 5.28 -2.443580831e-01 5.30 -2.340480931e-01 5.32 -2.241245767e-01 5.34 -2.145625365e-01 5.36 -2.053406915e-01 5.38 -1.964419350e-01 5.40 -1.878535321e-01 5.42 -1.795670491e-01 5.44 -1.715780157e-01 5.46 -1.638853410e-01 5.48 -1.564905224e-01 5.50 -1.493967050e-01 5.52 -1.426076681e-01 5.54 -1.361268267e-01 5.56 -1.299563311e-01 5.58 -1.240963347e-01 5.60 -1.185444800e-01 5.62 -1.132952131e-01 5.64 -1.083405919e-01 5.66 -1.036703537e-01 5.68 -9.927181381e-02 5.70 -9.513033995e-02 5.72 -9.122987238e-02 5.74 -8.755344161e-02 5.76 -8.408364705e-02 5.78 -8.080307244e-02 5.80 -7.769462557e-02 5.82 -7.474179976e-02 5.84 -7.192886142e-02 5.86 -6.924097298e-02 5.88 -6.666426251e-02 5.90 -6.418585250e-02 5.92 -6.179385953e-02 5.94 -5.947737565e-02 5.96 -5.722644059e-02 5.98 -5.503201248e-02 6.00 -5.288594294e-02