# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Cs3F # 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 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 5.422867628e+05 nan nan 1.16 4.263062407e+05 nan nan 1.18 3.365487795e+05 nan nan 1.20 2.667814951e+05 nan nan 1.22 2.123220599e+05 nan nan 1.24 1.696370007e+05 nan nan 1.26 1.360474396e+05 4.669030050e+05 nan 1.28 1.095128217e+05 3.755101511e+05 5.111431692e+05 1.30 8.847246001e+04 3.030579911e+05 4.124762411e+05 1.32 7.172774416e+04 2.454146034e+05 3.339780045e+05 1.34 5.835423437e+04 1.993924858e+05 2.713074973e+05 1.36 4.763611468e+04 1.625234598e+05 2.211039353e+05 1.38 3.901698147e+04 1.328898376e+05 1.807541209e+05 1.40 3.206277513e+04 1.089945130e+05 1.482199214e+05 1.42 2.643371461e+04 8.966602854e+04 1.219054525e+05 1.44 2.186282108e+04 7.398376969e+04 1.005569624e+05 1.46 1.813966505e+04 6.122167702e+04 8.318554890e+04 1.48 1.509779077e+04 5.080573853e+04 6.900960414e+04 1.50 1.260499126e+04 4.228045294e+04 5.740820502e+04 1.52 1.055620661e+04 3.528305917e+04 4.788751069e+04 1.54 8.867370246e+03 2.952406402e+04 4.005314334e+04 1.56 7.471246618e+03 2.477175259e+04 3.358924021e+04 1.58 6.313857187e+03 2.083967204e+04 2.824237205e+04 1.60 5.351652268e+03 1.757781605e+04 2.380803475e+04 1.62 4.549507990e+03 1.486508619e+04 2.012121543e+04 1.64 3.879001704e+03 1.260347119e+04 1.704845085e+04 1.66 3.316941430e+03 1.071322792e+04 1.448114058e+04 1.68 2.844508956e+03 9.129514828e+03 1.233097894e+04 1.70 2.446353247e+03 7.799439061e+03 1.052594711e+04 1.72 2.109887618e+03 6.679772172e+03 9.007132429e+03 1.74 1.824791614e+03 5.735016254e+03 7.726157594e+03 1.76 1.582578948e+03 4.935954965e+03 6.643315931e+03 1.78 1.376265780e+03 4.258567790e+03 5.725906882e+03 1.80 1.200058805e+03 3.683011692e+03 4.946926957e+03 1.82 1.049168288e+03 3.192869109e+03 4.283993211e+03 1.84 9.196196593e+02 2.774545454e+03 3.718573068e+03 1.86 8.081125971e+02 2.416721451e+03 3.235268210e+03 1.88 7.118870028e+02 2.109938890e+03 2.821293659e+03 1.90 6.286261071e+02 1.846335458e+03 2.465901325e+03 1.92 5.563989405e+02 1.619334792e+03 2.160136383e+03 1.94 4.935857891e+02 1.423425139e+03 1.896503452e+03 1.96 4.388256035e+02 1.253983012e+03 1.668712674e+03 1.98 3.909737504e+02 1.107123365e+03 1.471484452e+03 2.00 3.490481539e+02 9.795544845e+02 1.300354286e+03 2.02 3.122268169e+02 8.684946709e+02 1.151545445e+03 2.04 2.798119264e+02 7.715995268e+02 1.021874949e+03 2.06 2.512104368e+02 6.868822893e+02 9.086452477e+02 2.08 2.259168827e+02 6.126551267e+02 8.095662537e+02 2.10 2.035042079e+02 5.474825989e+02 7.226922578e+02 2.12 1.835958868e+02 4.901407793e+02 6.463742789e+02 2.14 1.658749569e+02 4.395886057e+02 5.791800597e+02 2.16 1.500688440e+02 3.949305193e+02 5.198998258e+02 2.18 1.359427470e+02 3.553970007e+02 4.674971487e+02 2.20 1.232938814e+02 3.203291069e+02 4.210827070e+02 2.22 1.119466869e+02 2.891614574e+02 3.798921293e+02 2.24 1.017504191e+02 2.614072244e+02 3.432668725e+02 2.26 9.257291924e+01 2.366458738e+02 3.106437029e+02 2.28 8.429668421e+01 2.145137570e+02 2.815336079e+02 2.30 7.682124381e+01 1.946960688e+02 2.555028143e+02 2.32 7.005941995e+01 1.769196451e+02 2.321837245e+02 2.34 6.393432360e+01 1.609471024e+02 2.112565784e+02 2.36 5.837846748e+01 1.465740749e+02 1.924437369e+02 2.38 5.333233296e+01 1.336181707e+02 1.755028943e+02 2.40 4.874378020e+01 1.219244214e+02 1.602231166e+02 2.42 4.456665086e+01 1.113498306e+02 1.464193048e+02 2.44 4.076151743e+01 1.017734504e+02 1.339295951e+02 2.46 3.729042013e+01 9.308927667e+01 1.226131358e+02 2.48 3.412110619e+01 8.520362305e+01 1.123443737e+02 2.50 3.122490887e+01 7.803395267e+01 1.030123395e+02 2.52 2.857621091e+01 7.150754767e+01 9.452010462e+01 2.54 2.615216163e+01 6.555972738e+01 8.678209852e+01 2.56 2.393229275e+01 6.013327121e+01 7.972258817e+01 2.58 2.189817807e+01 5.517721647e+01 7.327432325e+01 2.60 2.003326984e+01 5.064624276e+01 6.737774153e+01 2.62 1.832265277e+01 4.649976166e+01 6.197983233e+01 2.64 1.675286028e+01 4.270191447e+01 5.703337532e+01 2.66 1.531171482e+01 3.922045014e+01 5.249623775e+01 2.68 1.398822562e+01 3.602645821e+01 4.833076354e+01 2.70 1.277248891e+01 3.309406085e+01 4.450325718e+01 2.72 1.165527671e+01 3.040053973e+01 4.098443955e+01 2.74 1.062832845e+01 2.792423518e+01 3.774650919e+01 2.76 9.684144978e+00 2.564623355e+01 3.476442627e+01 2.78 8.815900429e+00 2.354952621e+01 3.201622405e+01 2.80 8.017325348e+00 2.161875050e+01 2.948199463e+01 2.82 7.282777881e+00 1.984001086e+01 2.714382351e+01 2.84 6.607141125e+00 1.820072055e+01 2.498557476e+01 2.86 5.985689176e+00 1.668946164e+01 2.299245031e+01 2.88 5.414107429e+00 1.529586091e+01 2.115112361e+01 2.90 4.888344649e+00 1.401047987e+01 1.944946906e+01 2.92 4.404881400e+00 1.282471728e+01 1.787629849e+01 2.94 3.960481779e+00 1.173072272e+01 1.642149154e+01 2.96 3.552118136e+00 1.072134474e+01 1.507580721e+01 2.98 3.177015903e+00 9.789992387e+00 1.383079825e+01 3.00 2.832629748e+00 8.930632224e+00 1.267873529e+01 3.02 2.516603733e+00 8.137735947e+00 1.161217378e+01 3.04 2.227003332e+00 7.406245199e+00 1.062497868e+01 3.06 1.961621005e+00 6.731460868e+00 9.711308832e+00 3.08 1.718636545e+00 6.109068441e+00 8.866054182e+00 3.10 1.496369671e+00 5.535096317e+00 8.084083134e+00 3.12 1.293267363e+00 5.005880844e+00 7.360367617e+00 3.14 1.107839971e+00 4.517993424e+00 6.690556441e+00 3.16 9.388232327e-01 4.068539806e+00 6.070879543e+00 3.18 7.849810456e-01 3.654498252e+00 5.497740470e+00 3.20 6.451637213e-01 3.273119776e+00 4.967817698e+00 3.22 5.183038757e-01 2.921954917e+00 4.478046056e+00 3.24 4.034098657e-01 2.598846301e+00 4.025593857e+00 3.26 2.995642312e-01 2.301626272e+00 3.607842090e+00 3.28 2.059055084e-01 2.028151381e+00 3.222365505e+00 3.30 1.216357474e-01 1.776820865e+00 2.866915463e+00 3.32 4.601368638e-02 1.545979435e+00 2.539404415e+00 3.34 -2.167781009e-02 1.334078421e+00 2.237891895e+00 3.36 -8.215372809e-02 1.139722514e+00 1.960571906e+00 3.38 -1.358676686e-01 9.616149508e-01 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-4.269637675e-03 5.88 -9.608708764e-04 -2.526434209e-03 -3.712878681e-03 5.90 -8.345375682e-04 -2.192185838e-03 -3.214908193e-03 5.92 -7.217161814e-04 -1.893816214e-03 -2.770720832e-03 5.94 -6.212290637e-04 -1.628189823e-03 -2.375600953e-03 5.96 -5.319703813e-04 -1.392362942e-03 -2.025122113e-03 5.98 -4.529054587e-04 -1.183581808e-03 -1.715144239e-03 6.00 -3.830696060e-04 -9.992794395e-04 -1.441808753e-03