# 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 = Ag2Ni # 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 2.440731735e+02 1.16 2.244663893e+02 1.18 2.064806377e+02 1.20 1.899692843e+02 1.22 1.747999936e+02 1.24 1.608534699e+02 1.26 1.480229814e+02 1.28 1.362133742e+02 1.30 1.253388703e+02 1.32 1.153208612e+02 1.34 1.060870898e+02 1.36 9.757190295e+01 1.38 8.971624093e+01 1.40 8.246692566e+01 1.42 7.577572543e+01 1.44 6.959846448e+01 1.46 6.389427595e+01 1.48 5.862643925e+01 1.50 5.376406753e+01 1.52 4.927514399e+01 1.54 4.513022792e+01 1.56 4.130247702e+01 1.58 3.776721242e+01 1.60 3.450163955e+01 1.62 3.148477895e+01 1.64 2.869745979e+01 1.66 2.612221068e+01 1.68 2.374304985e+01 1.70 2.154528373e+01 1.72 1.951535610e+01 1.74 1.764070633e+01 1.76 1.590962418e+01 1.78 1.431116300e+01 1.80 1.283516919e+01 1.82 1.147239021e+01 1.84 1.021453974e+01 1.86 9.054223911e+00 1.88 7.984739232e+00 1.90 6.999831539e+00 1.92 6.093507361e+00 1.94 5.259947712e+00 1.96 4.493528729e+00 1.98 3.788914630e+00 2.00 3.141164735e+00 2.02 2.545801825e+00 2.04 1.998819673e+00 2.06 1.496639511e+00 2.08 1.036040577e+00 2.10 6.140889497e-01 2.12 2.280796272e-01 2.14 -1.245031560e-01 2.16 -4.460088070e-01 2.18 -7.386306360e-01 2.20 -1.004408958e+00 2.22 -1.245233631e+00 2.24 -1.462852493e+00 2.26 -1.658890040e+00 2.28 -1.834873253e+00 2.30 -1.992261507e+00 2.32 -2.132473467e+00 2.34 -2.256893985e+00 2.36 -2.366860442e+00 2.38 -2.463633734e+00 2.40 -2.548367780e+00 2.42 -2.622067603e+00 2.44 -2.685473741e+00 2.46 -2.739206059e+00 2.48 -2.783849525e+00 2.50 -2.820007075e+00 2.52 -2.848522618e+00 2.54 -2.869698549e+00 2.56 -2.883772995e+00 2.58 -2.891056583e+00 2.60 -2.891914199e+00 2.62 -2.886749500e+00 2.64 -2.875990729e+00 2.66 -2.860081980e+00 2.68 -2.839488826e+00 2.70 -2.814672914e+00 2.72 -2.786081577e+00 2.74 -2.754146764e+00 2.76 -2.719281151e+00 2.78 -2.681870222e+00 2.80 -2.642262037e+00 2.82 -2.600758380e+00 2.84 -2.557610854e+00 2.86 -2.513023377e+00 2.88 -2.467160238e+00 2.90 -2.420157435e+00 2.92 -2.372134945e+00 2.94 -2.323208292e+00 2.96 -2.273498536e+00 2.98 -2.223140235e+00 3.00 -2.172286925e+00 3.02 -2.121113426e+00 3.04 -2.069814218e+00 3.06 -2.018597416e+00 3.08 -1.967674692e+00 3.10 -1.917248624e+00 3.12 -1.867499827e+00 3.14 -1.818576501e+00 3.16 -1.770588368e+00 3.18 -1.723605761e+00 3.20 -1.677663260e+00 3.22 -1.632766372e+00 3.24 -1.588899523e+00 3.26 -1.546033845e+00 3.28 -1.504133808e+00 3.30 -1.463162278e+00 3.32 -1.423083967e+00 3.34 -1.383867487e+00 3.36 -1.345486269e+00 3.38 -1.307918682e+00 3.40 -1.271147571e+00 3.42 -1.235159476e+00 3.44 -1.199943700e+00 3.46 -1.165491372e+00 3.48 -1.131794637e+00 3.50 -1.098846021e+00 3.52 -1.066638012e+00 3.54 -1.035162845e+00 3.56 -1.004412446e+00 3.58 -9.743784819e-01 3.60 -9.450524374e-01 3.62 -9.164256776e-01 3.64 -8.884894466e-01 3.66 -8.612347943e-01 3.68 -8.346524409e-01 3.70 -8.087326025e-01 3.72 -7.834648125e-01 3.74 -7.588377695e-01 3.76 -7.348392347e-01 3.78 -7.114559905e-01 3.80 -6.886738571e-01 3.82 -6.664777565e-01 3.84 -6.448518049e-01 3.86 -6.237794120e-01 3.88 -6.032433686e-01 3.90 -5.832259093e-01 3.92 -5.637087424e-01 3.94 -5.446730547e-01 3.96 -5.260994846e-01 3.98 -5.079681003e-01 4.00 -4.902583844e-01 4.02 -4.729492537e-01 4.04 -4.560191335e-01 4.06 -4.394461070e-01 4.08 -4.232081552e-01 4.10 -4.072835003e-01 4.12 -3.916510660e-01 4.14 -3.762910332e-01 4.16 -3.611855052e-01 4.18 -3.463192378e-01 4.20 -3.316803997e-01 4.22 -3.172613098e-01 4.24 -3.030590843e-01 4.26 -2.890761225e-01 4.28 -2.753203669e-01 4.30 -2.618052870e-01 4.32 -2.485495653e-01 4.34 -2.355764927e-01 4.36 -2.229131128e-01 4.38 -2.105891724e-01 4.40 -1.986359421e-01 4.42 -1.870849611e-01 4.44 -1.759667451e-01 4.46 -1.653094875e-01 4.48 -1.551377803e-01 4.50 -1.454714019e-01 4.52 -1.363242380e-01 4.54 -1.277034256e-01 4.56 -1.196088129e-01 4.58 -1.120328105e-01 4.60 -1.049606577e-01 4.62 -9.837110156e-02 4.64 -9.223741180e-02 4.66 -8.652858604e-02 4.68 -8.121004535e-02 4.70 -7.624678306e-02 4.72 -7.160370867e-02 4.74 -6.724633645e-02 4.76 -6.314183395e-02 4.78 -5.925983489e-02 4.80 -5.557303462e-02 4.82 -5.205760399e-02 4.84 -4.869342491e-02 4.86 -4.546420285e-02 4.88 -4.235744720e-02 4.90 -3.936433958e-02 4.92 -3.647949377e-02 4.94 -3.370061141e-02 4.96 -3.102803993e-02 4.98 -2.846424519e-02 5.00 -2.601321878e-02 5.02 -2.367984895e-02 5.04 -2.146929064e-02 5.06 -1.938637357e-02 5.08 -1.743508634e-02 5.10 -1.561816715e-02 5.12 -1.393682182e-02 5.14 -1.239057893e-02 5.16 -1.097727420e-02 5.18 -9.693148434e-03 5.20 -8.532936006e-03 5.22 -7.490156207e-03 5.24 -6.557758773e-03 5.26 -5.728037981e-03 5.28 -4.992906173e-03 5.30 -4.344152412e-03 5.32 -3.773658754e-03 5.34 -3.273571317e-03 5.36 -2.836427421e-03 5.38 -2.455242782e-03 5.40 -2.123564311e-03 5.42 -1.835494654e-03 5.44 -1.585694597e-03 5.46 -1.369368899e-03 5.48 -1.182240452e-03 5.50 -1.020516792e-03 5.52 -8.808522070e-04 5.54 -7.603079102e-04 5.56 -6.563121303e-04 5.58 -5.666213997e-04 5.60 -4.892839122e-04 5.62 -4.226054745e-04 5.64 -3.651183261e-04 5.66 -3.155529146e-04 5.68 -2.728125895e-04 5.70 -2.359510864e-04 5.72 -2.041526228e-04 5.74 -1.767143962e-04 5.76 -1.530312625e-04 5.78 -1.325823726e-04 5.80 -1.149195547e-04 5.82 -9.965723771e-05 5.84 -8.646373322e-05 5.86 -7.505370382e-05 5.88 -6.518166752e-05 5.90 -5.663640195e-05 5.92 -4.923612846e-05 5.94 -4.282437071e-05 5.96 -3.726639537e-05 5.98 -3.244615463e-05 6.00 -2.826366055e-05