# 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 = WZr2 # 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 5.178166885e+02 1.16 4.791776380e+02 1.18 4.435977230e+02 1.20 4.108040459e+02 1.22 3.805481525e+02 1.24 3.526063719e+02 1.26 3.267794611e+02 1.28 3.028899924e+02 1.30 2.807791139e+02 1.32 2.603039873e+02 1.34 2.413351680e+02 1.36 2.237543018e+02 1.38 2.074527014e+02 1.40 1.923302154e+02 1.42 1.782939462e+02 1.44 1.652573876e+02 1.46 1.531404912e+02 1.48 1.418702608e+02 1.50 1.313809687e+02 1.52 1.216137907e+02 1.54 1.125161268e+02 1.56 1.040410922e+02 1.58 9.614711709e+01 1.60 8.879719764e+01 1.62 8.195760266e+01 1.64 7.559650951e+01 1.66 6.968303593e+01 1.68 6.418692419e+01 1.70 5.907884978e+01 1.72 5.433084802e+01 1.74 4.991667080e+01 1.76 4.581192660e+01 1.78 4.199408889e+01 1.80 3.844234988e+01 1.82 3.513744218e+01 1.84 3.206139974e+01 1.86 2.919757513e+01 1.88 2.653073469e+01 1.90 2.404722973e+01 1.92 2.173610413e+01 1.94 1.958720428e+01 1.96 1.759026462e+01 1.98 1.573559529e+01 2.00 1.401403656e+01 2.02 1.241686116e+01 2.04 1.093569059e+01 2.06 9.562417309e+00 2.08 8.289143970e+00 2.10 7.108192158e+00 2.12 6.012179307e+00 2.14 4.994149590e+00 2.16 4.047732026e+00 2.18 3.167233400e+00 2.20 2.347667645e+00 2.22 1.584678100e+00 2.24 8.744413802e-01 2.26 2.135820431e-01 2.28 -4.009079058e-01 2.30 -9.716829766e-01 2.32 -1.501137255e+00 2.34 -1.991431300e+00 2.36 -2.444586581e+00 2.38 -2.862544144e+00 2.40 -3.247214784e+00 2.42 -3.600520814e+00 2.44 -3.924399337e+00 2.46 -4.220803317e+00 2.48 -4.491670515e+00 2.50 -4.738880878e+00 2.52 -4.964212143e+00 2.54 -5.169305077e+00 2.56 -5.355644819e+00 2.58 -5.524559816e+00 2.60 -5.677236115e+00 2.62 -5.814738675e+00 2.64 -5.938053142e+00 2.66 -6.048074950e+00 2.68 -6.145599086e+00 2.70 -6.231504630e+00 2.72 -6.306747124e+00 2.74 -6.372199550e+00 2.76 -6.428477757e+00 2.78 -6.476177905e+00 2.80 -6.515880194e+00 2.82 -6.548112899e+00 2.84 -6.573362711e+00 2.86 -6.592057385e+00 2.88 -6.604431738e+00 2.90 -6.610365102e+00 2.92 -6.609594194e+00 2.94 -6.601924999e+00 2.96 -6.587224069e+00 2.98 -6.565405933e+00 3.00 -6.536423432e+00 3.02 -6.500261102e+00 3.04 -6.456926281e+00 3.06 -6.406471450e+00 3.08 -6.348959941e+00 3.10 -6.284495665e+00 3.12 -6.213216992e+00 3.14 -6.135314651e+00 3.16 -6.051009784e+00 3.18 -5.960568869e+00 3.20 -5.864295361e+00 3.22 -5.762524988e+00 3.24 -5.655622097e+00 3.26 -5.543978257e+00 3.28 -5.428012945e+00 3.30 -5.308174896e+00 3.32 -5.184942269e+00 3.34 -5.058820545e+00 3.36 -4.930338342e+00 3.38 -4.800042321e+00 3.40 -4.668489966e+00 3.42 -4.536255582e+00 3.44 -4.403909794e+00 3.46 -4.272025154e+00 3.48 -4.141164545e+00 3.50 -4.011869697e+00 3.52 -3.884647459e+00 3.54 -3.759955393e+00 3.56 -3.638188554e+00 3.58 -3.519669190e+00 3.60 -3.404640592e+00 3.62 -3.293265629e+00 3.64 -3.185629894e+00 3.66 -3.081748845e+00 3.68 -2.981578045e+00 3.70 -2.885025480e+00 3.72 -2.791964965e+00 3.74 -2.702249762e+00 3.76 -2.615725586e+00 3.78 -2.532242293e+00 3.80 -2.451663478e+00 3.82 -2.373873276e+00 3.84 -2.298779724e+00 3.86 -2.226314302e+00 3.88 -2.156427771e+00 3.90 -2.089083036e+00 3.92 -2.024241391e+00 3.94 -1.961874702e+00 3.96 -1.901925342e+00 3.98 -1.844325356e+00 4.00 -1.788989294e+00 4.02 -1.735816167e+00 4.04 -1.684693424e+00 4.06 -1.635501899e+00 4.08 -1.588120783e+00 4.10 -1.542425012e+00 4.12 -1.498317626e+00 4.14 -1.455686165e+00 4.16 -1.414436153e+00 4.18 -1.374482915e+00 4.20 -1.335751361e+00 4.22 -1.298175373e+00 4.24 -1.261696936e+00 4.26 -1.226265172e+00 4.28 -1.191835345e+00 4.30 -1.158367909e+00 4.32 -1.125827642e+00 4.34 -1.094182881e+00 4.36 -1.063404865e+00 4.38 -1.033467180e+00 4.40 -1.004345314e+00 4.42 -9.760162871e-01 4.44 -9.484583634e-01 4.46 -9.216508257e-01 4.48 -8.955737985e-01 4.50 -8.702081133e-01 4.52 -8.455352055e-01 4.54 -8.215370359e-01 4.56 -7.981960306e-01 4.58 -7.754950350e-01 4.60 -7.534172775e-01 4.62 -7.319463404e-01 4.64 -7.110661364e-01 4.66 -6.907608877e-01 4.68 -6.710151076e-01 4.70 -6.518135835e-01 4.72 -6.331413594e-01 4.74 -6.149837202e-01 4.76 -5.973261734e-01 4.78 -5.801544321e-01 4.80 -5.634461182e-01 4.82 -5.472052596e-01 4.84 -5.314081430e-01 4.86 -5.160411507e-01 4.88 -5.010907603e-01 4.90 -4.865435238e-01 4.92 -4.723860452e-01 4.94 -4.586049595e-01 4.96 -4.451869111e-01 4.98 -4.321185354e-01 5.00 -4.193864418e-01 5.02 -4.069772024e-01 5.04 -3.948773465e-01 5.06 -3.830733645e-01 5.08 -3.715517229e-01 5.10 -3.602988951e-01 5.12 -3.493014111e-01 5.14 -3.385459307e-01 5.16 -3.280193448e-01 5.18 -3.177089094e-01 5.20 -3.076024151e-01 5.22 -2.976883965e-01 5.24 -2.879563800e-01 5.26 -2.783971672e-01 5.28 -2.690031470e-01 5.30 -2.597686212e-01 5.32 -2.506901248e-01 5.34 -2.417667125e-01 5.36 -2.330001790e-01 5.38 -2.243951761e-01 5.40 -2.159591905e-01 5.42 -2.077023519e-01 5.44 -1.996370532e-01 5.46 -1.917773840e-01 5.48 -1.841383975e-01 5.50 -1.767352586e-01 5.52 -1.695823389e-01 5.54 -1.626923328e-01 5.56 -1.560754755e-01 5.58 -1.497389282e-01 5.60 -1.436860701e-01 5.62 -1.379167995e-01 5.64 -1.324278922e-01 5.66 -1.272127138e-01 5.68 -1.222616549e-01 5.70 -1.175626644e-01 5.72 -1.131018246e-01 5.74 -1.088639174e-01 5.76 -1.048329488e-01 5.78 -1.009926037e-01 5.80 -9.732662293e-02 5.82 -9.381909679e-02 5.84 -9.045468261e-02 5.86 -8.721875449e-02 5.88 -8.409749787e-02 5.90 -8.107796152e-02 5.92 -7.814807958e-02 5.94 -7.529667465e-02 5.96 -7.251345200e-02 5.98 -6.978899264e-02 6.00 -6.711475183e-02