# 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 = AgNi2 # 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 1.896633223e+02 1.16 1.741214979e+02 1.18 1.598790429e+02 1.20 1.468176297e+02 1.22 1.348309242e+02 1.24 1.238236498e+02 1.26 1.137104932e+02 1.28 1.044146804e+02 1.30 9.586585587e+01 1.32 8.799878341e+01 1.34 8.075401281e+01 1.36 7.407887024e+01 1.38 6.792699925e+01 1.40 6.225694430e+01 1.42 5.703095403e+01 1.44 5.221419806e+01 1.46 4.777418799e+01 1.48 4.368062772e+01 1.50 3.990729379e+01 1.52 3.642894304e+01 1.54 3.322204210e+01 1.56 3.026515702e+01 1.58 2.753844467e+01 1.60 2.502339714e+01 1.62 2.270297483e+01 1.64 2.056183917e+01 1.66 1.858631402e+01 1.68 1.676403514e+01 1.70 1.508351946e+01 1.72 1.353385453e+01 1.74 1.210458206e+01 1.76 1.078578749e+01 1.78 9.568335185e+00 1.80 8.444096242e+00 1.82 7.406022647e+00 1.84 6.448033321e+00 1.86 5.564778180e+00 1.88 4.751376615e+00 1.90 4.003206204e+00 1.92 3.315777538e+00 1.94 2.684696542e+00 1.96 2.105695748e+00 1.98 1.574705363e+00 2.00 1.087930395e+00 2.02 6.419054727e-01 2.04 2.335136293e-01 2.06 -1.400293407e-01 2.08 -4.812136072e-01 2.10 -7.922831055e-01 2.12 -1.075281902e+00 2.14 -1.332095107e+00 2.16 -1.564485017e+00 2.18 -1.774123681e+00 2.20 -1.962622648e+00 2.22 -2.131544610e+00 2.24 -2.282416811e+00 2.26 -2.416725752e+00 2.28 -2.535898611e+00 2.30 -2.641287031e+00 2.32 -2.734159630e+00 2.34 -2.815631103e+00 2.36 -2.886370846e+00 2.38 -2.946930656e+00 2.40 -2.997859938e+00 2.42 -3.039670723e+00 2.44 -3.072823382e+00 2.46 -3.097731050e+00 2.48 -3.114774539e+00 2.50 -3.124319587e+00 2.52 -3.126731798e+00 2.54 -3.122458298e+00 2.56 -3.111956117e+00 2.58 -3.095501701e+00 2.60 -3.073427157e+00 2.62 -3.046116921e+00 2.64 -3.013996097e+00 2.66 -2.977520018e+00 2.68 -2.937167607e+00 2.70 -2.893440699e+00 2.72 -2.846869958e+00 2.74 -2.798001107e+00 2.76 -2.747375334e+00 2.78 -2.695503671e+00 2.80 -2.642837104e+00 2.82 -2.589741781e+00 2.84 -2.536487116e+00 2.86 -2.483249310e+00 2.88 -2.430127224e+00 2.90 -2.377164605e+00 2.92 -2.324372760e+00 2.94 -2.271749861e+00 2.96 -2.219295349e+00 2.98 -2.167019524e+00 3.00 -2.114949067e+00 3.02 -2.063129244e+00 3.04 -2.011623301e+00 3.06 -1.960509379e+00 3.08 -1.909875391e+00 3.10 -1.859812619e+00 3.12 -1.810409085e+00 3.14 -1.761743871e+00 3.16 -1.713883270e+00 3.18 -1.666879142e+00 3.20 -1.620769264e+00 3.22 -1.575579053e+00 3.24 -1.531323941e+00 3.26 -1.488011770e+00 3.28 -1.445644823e+00 3.30 -1.404221311e+00 3.32 -1.363736316e+00 3.34 -1.324182286e+00 3.36 -1.285549208e+00 3.38 -1.247824575e+00 3.40 -1.210993255e+00 3.42 -1.175037354e+00 3.44 -1.139936103e+00 3.46 -1.105665849e+00 3.48 -1.072200143e+00 3.50 -1.039509946e+00 3.52 -1.007563953e+00 3.54 -9.763290067e-01 3.56 -9.457705868e-01 3.58 -9.158533426e-01 3.60 -8.865416687e-01 3.62 -8.578003253e-01 3.64 -8.295951388e-01 3.66 -8.018938376e-01 3.68 -7.746670873e-01 3.70 -7.478897800e-01 3.72 -7.215425959e-01 3.74 -6.956137891e-01 3.76 -6.701010597e-01 3.78 -6.450132696e-01 3.80 -6.203716693e-01 3.82 -5.962102534e-01 3.84 -5.725748923e-01 3.86 -5.495210215e-01 3.88 -5.271099042e-01 3.90 -5.054037744e-01 3.92 -4.844604455e-01 3.94 -4.643281355e-01 3.96 -4.450412562e-01 3.98 -4.266177286e-01 4.00 -4.090580782e-01 4.02 -3.923462241e-01 4.04 -3.764516057e-01 4.06 -3.613321452e-01 4.08 -3.469375293e-01 4.10 -3.332123832e-01 4.12 -3.200990587e-01 4.14 -3.075398718e-01 4.16 -2.954787994e-01 4.18 -2.838626711e-01 4.20 -2.726419713e-01 4.22 -2.617713658e-01 4.24 -2.512100667e-01 4.26 -2.409221242e-01 4.28 -2.308767118e-01 4.30 -2.210484378e-01 4.32 -2.114176845e-01 4.34 -2.019709482e-01 4.36 -1.927011188e-01 4.38 -1.836076196e-01 4.40 -1.746963118e-01 4.42 -1.659790766e-01 4.44 -1.574730064e-01 4.46 -1.491991863e-01 4.48 -1.411811052e-01 4.50 -1.334428031e-01 4.52 -1.260069184e-01 4.54 -1.188928326e-01 4.56 -1.121151070e-01 4.58 -1.056823681e-01 4.60 -9.959673561e-02 4.62 -9.385380488e-02 4.64 -8.844312822e-02 4.66 -8.334908180e-02 4.68 -7.855198388e-02 4.70 -7.402933119e-02 4.72 -6.975701785e-02 4.74 -6.571011821e-02 4.76 -6.186480490e-02 4.78 -5.819874959e-02 4.80 -5.469151114e-02 4.82 -5.132510393e-02 4.84 -4.808437917e-02 4.86 -4.495725813e-02 4.88 -4.193482122e-02 4.90 -3.901126927e-02 4.92 -3.618376331e-02 4.94 -3.345214794e-02 4.96 -3.081856652e-02 4.98 -2.828698371e-02 5.00 -2.586263544e-02 5.02 -2.355143650e-02 5.04 -2.135938290e-02 5.06 -1.929198835e-02 5.08 -1.735365345e-02 5.10 -1.554731175e-02 5.12 -1.387471734e-02 5.14 -1.233583724e-02 5.16 -1.092883456e-02 5.18 -9.650188525e-03 5.20 -8.494901429e-03 5.22 -7.456763034e-03 5.24 -6.528643370e-03 5.26 -5.702788328e-03 5.28 -4.971097844e-03 5.30 -4.325372554e-03 5.32 -3.757520795e-03 5.34 -3.259722868e-03 5.36 -2.824553434e-03 5.38 -2.445065589e-03 5.40 -2.114841752e-03 5.42 -1.828017166e-03 5.44 -1.579281830e-03 5.46 -1.363866257e-03 5.48 -1.177515764e-03 5.50 -1.016457254e-03 5.52 -8.773616304e-04 5.54 -7.573043108e-04 5.56 -6.537256268e-04 5.58 -5.643924083e-04 5.60 -4.873616022e-04 5.62 -4.209464532e-04 5.64 -3.636855217e-04 5.66 -3.143146294e-04 5.68 -2.717416975e-04 5.70 -2.350243539e-04 5.72 -2.033501330e-04 5.74 -1.760190610e-04 5.76 -1.524284086e-04 5.78 -1.320593904e-04 5.80 -1.144655992e-04 5.82 -9.926297498e-05 5.84 -8.612112364e-05 5.86 -7.475581784e-05 5.88 -6.492252826e-05 5.90 -5.641085083e-05 5.92 -4.903971026e-05 5.94 -4.265323525e-05 5.96 -3.711721331e-05 5.98 -3.231604531e-05 6.00 -2.815013006e-05