# 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 = FNa3 # 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 2.009047737e+03 nan nan 1.08 1.647237797e+03 nan nan 1.10 1.357124338e+03 nan nan 1.12 1.123429258e+03 nan nan 1.14 9.343155507e+02 nan nan 1.16 7.805968234e+02 nan nan 1.18 6.551427933e+02 1.628534013e+03 nan 1.20 5.523397166e+02 1.363716892e+03 nan 1.22 4.677297448e+02 1.146514492e+03 1.477497997e+03 1.24 3.978244003e+02 9.677211524e+02 1.245498876e+03 1.26 3.397760754e+02 8.199603161e+02 1.053880659e+03 1.28 2.914327040e+02 6.974412937e+02 8.950910664e+02 1.30 2.510089545e+02 5.954856906e+02 7.630845902e+02 1.32 2.170613082e+02 5.103182353e+02 6.529107892e+02 1.34 1.884519935e+02 4.389280865e+02 5.606772796e+02 1.36 1.642424674e+02 3.789136147e+02 4.832197274e+02 1.38 1.436787822e+02 3.282859106e+02 4.179210757e+02 1.40 1.261412438e+02 2.854211105e+02 3.627149544e+02 1.42 1.111339337e+02 2.489925276e+02 3.158918090e+02 1.44 9.823267725e+01 2.179501469e+02 2.760380276e+02 1.46 8.710970031e+01 1.914167930e+02 2.420077597e+02 1.48 7.748194929e+01 1.686597370e+02 2.128722088e+02 1.50 6.911860647e+01 1.490773332e+02 1.878384103e+02 1.52 6.182092995e+01 1.321545704e+02 1.662607542e+02 1.54 5.543817472e+01 1.174934440e+02 1.476018111e+02 1.56 4.983545717e+01 1.047597353e+02 1.314256349e+02 1.58 4.489963894e+01 9.366419154e+01 1.173562556e+02 1.60 4.053573036e+01 8.396568186e+01 1.050770156e+02 1.62 3.666427480e+01 7.546206715e+01 9.432287430e+01 1.64 3.322204852e+01 6.798104364e+01 8.488024809e+01 1.66 3.015095780e+01 6.137740819e+01 7.656854463e+01 1.68 2.740298484e+01 5.553359027e+01 6.922991313e+01 1.70 2.493691797e+01 5.034760943e+01 6.273105717e+01 1.72 2.271695657e+01 4.573477258e+01 5.695742409e+01 1.74 2.071282366e+01 4.162066574e+01 5.180955267e+01 1.76 1.890075137e+01 3.793959046e+01 4.720923596e+01 1.78 1.725737070e+01 3.463758846e+01 4.309231389e+01 1.80 1.576405133e+01 3.166713998e+01 3.939730656e+01 1.82 1.440344603e+01 2.898615369e+01 3.607254997e+01 1.84 1.316089181e+01 2.656013771e+01 3.307401760e+01 1.86 1.202381583e+01 2.436103339e+01 3.036302869e+01 1.88 1.097953072e+01 2.236338608e+01 2.790560840e+01 1.90 1.002029164e+01 2.054414945e+01 2.567153368e+01 1.92 9.137399260e+00 1.888313662e+01 2.363704345e+01 1.94 8.323869436e+00 1.736381853e+01 2.178095927e+01 1.96 7.573358620e+00 1.597142984e+01 2.008414459e+01 1.98 6.879182035e+00 1.469261344e+01 1.852986779e+01 2.00 6.237473775e+00 1.351549111e+01 1.710346171e+01 2.02 5.644104119e+00 1.243036345e+01 1.579136641e+01 2.04 5.095211492e+00 1.142839114e+01 1.458207551e+01 2.06 4.587129182e+00 1.050177495e+01 1.346584517e+01 2.08 4.116817373e+00 9.643545421e+00 1.243434252e+01 2.10 3.681518721e+00 8.846778691e+00 1.147842527e+01 2.12 3.278425248e+00 8.107373438e+00 1.059274019e+01 2.14 2.905598566e+00 7.420208533e+00 9.770961251e+00 2.16 2.561074012e+00 6.781254010e+00 9.007495226e+00 2.18 2.242989435e+00 6.186693062e+00 8.296872700e+00 2.20 1.949735248e+00 5.633546273e+00 7.635642264e+00 2.22 1.679596371e+00 5.118688015e+00 7.020049675e+00 2.24 1.430996188e+00 4.639170911e+00 6.446583009e+00 2.26 1.202481281e+00 4.192578809e+00 5.912043862e+00 2.28 9.927024483e-01 3.776719441e+00 5.413548199e+00 2.30 8.001684224e-01 3.389180104e+00 4.948400510e+00 2.32 6.238749415e-01 3.028799832e+00 4.514389595e+00 2.34 4.625615141e-01 2.693969831e+00 4.109405944e+00 2.36 3.155594178e-01 2.382516190e+00 3.731360055e+00 2.38 1.815436423e-01 2.093148425e+00 3.377864583e+00 2.40 6.006037037e-02 1.825087211e+00 3.048137217e+00 2.42 -4.977698071e-02 1.576925821e+00 2.740607363e+00 2.44 -1.488114369e-01 1.347290467e+00 2.453822024e+00 2.46 -2.378263601e-01 1.135322004e+00 2.185722055e+00 2.48 -3.175501686e-01 9.398983315e-01 1.935860773e+00 2.50 -3.887726827e-01 7.597823280e-01 1.703206957e+00 2.52 -4.524657542e-01 5.939486011e-01 1.486611912e+00 2.54 -5.086968420e-01 4.418392374e-01 1.285031368e+00 2.56 -5.580603191e-01 3.025879583e-01 1.097501618e+00 2.58 -6.011204890e-01 1.750943986e-01 9.230480380e-01 2.60 -6.384102765e-01 5.872863312e-02 7.608341766e-01 2.62 -6.704333386e-01 -4.722882349e-02 6.093640564e-01 2.64 -6.976623902e-01 -1.434237124e-01 4.689520112e-01 2.66 -7.205511548e-01 -2.305693925e-01 3.387764701e-01 2.68 -7.395242474e-01 -3.093329679e-01 2.183792566e-01 2.70 -7.549814466e-01 -3.803383665e-01 1.071477088e-01 2.72 -7.672958529e-01 -4.441693359e-01 4.512647939e-03 2.74 -7.769340551e-01 -5.013714865e-01 -9.005617828e-02 2.76 -7.841481327e-01 -5.524542966e-01 -1.770542110e-01 2.78 -7.892951252e-01 -5.978931008e-01 -2.569457557e-01 2.80 -7.925112430e-01 -6.381470833e-01 -3.302644022e-01 2.82 -7.940678347e-01 -6.737148111e-01 -3.973660137e-01 2.84 -7.942115703e-01 -7.048471452e-01 -4.585711662e-01 2.86 -7.931651327e-01 -7.319097416e-01 -5.142530726e-01 2.88 -7.911279865e-01 -7.552514523e-01 -5.647628709e-01 2.90 -7.883664463e-01 -7.751795190e-01 -6.106138686e-01 2.92 -7.849924581e-01 -7.919870699e-01 -6.520369983e-01 2.94 -7.810588446e-01 -8.059491945e-01 -6.891687753e-01 2.96 -7.766897017e-01 -8.173199450e-01 -7.223114979e-01 2.98 -7.719896617e-01 -8.263415305e-01 -7.517498519e-01 3.00 -7.670454295e-01 -8.332501905e-01 -7.777517917e-01 3.02 -7.619889799e-01 -8.382605446e-01 -8.006925439e-01 3.04 -7.568144127e-01 -8.415488980e-01 -8.206845712e-01 3.06 -7.515477896e-01 -8.432993369e-01 -8.379180298e-01 3.08 -7.462233577e-01 -8.436853575e-01 -8.526082592e-01 3.10 -7.408646733e-01 -8.428681753e-01 -8.649550659e-01 3.12 -7.354861558e-01 -8.410005268e-01 -8.751441800e-01 3.14 -7.300945607e-01 -8.382414510e-01 -8.833479950e-01 3.16 -7.246903546e-01 -8.346916665e-01 -8.897263206e-01 3.18 -7.192685701e-01 -8.304697280e-01 -8.944271508e-01 3.20 -7.138286775e-01 -8.256839044e-01 -8.975874431e-01 3.22 -7.083505293e-01 -8.204319193e-01 -8.993339078e-01 3.24 -7.028757299e-01 -8.148507701e-01 -8.998931460e-01 3.26 -6.973753472e-01 -8.090192223e-01 -8.993444539e-01 3.28 -6.917711469e-01 -8.029930344e-01 -8.976617694e-01 3.30 -6.860527242e-01 -7.967704407e-01 -8.949476105e-01 3.32 -6.802091505e-01 -7.904078405e-01 -8.913073645e-01 3.34 -6.742293682e-01 -7.839528133e-01 -8.868220742e-01 3.36 -6.681037351e-01 -7.774446986e-01 -8.815656558e-01 3.38 -6.618226052e-01 -7.710033880e-01 -8.756141356e-01 3.40 -6.553771853e-01 -7.647335926e-01 -8.690385368e-01 3.42 -6.487596614e-01 -7.584256043e-01 -8.619054370e-01 3.44 -6.419632780e-01 -7.521031810e-01 -8.542774397e-01 3.46 -6.350775160e-01 -7.457833295e-01 -8.462135620e-01 3.48 -6.282175493e-01 -7.394771777e-01 -8.377695428e-01 3.50 -6.211341849e-01 -7.331908095e-01 -8.289980767e-01 3.52 -6.137893234e-01 -7.269260535e-01 -8.199486780e-01 3.54 -6.061938506e-01 -7.206812204e-01 -8.106681582e-01 3.56 -5.983580458e-01 -7.144517817e-01 -8.012015578e-01 3.58 -5.902912772e-01 -7.082309883e-01 -7.915905208e-01 3.60 -5.820024236e-01 -7.020104267e-01 -7.818740280e-01 3.62 -5.735000541e-01 -6.957805127e-01 -7.721198115e-01 3.64 -5.647925906e-01 -6.895309231e-01 -7.623249087e-01 3.66 -5.558884539e-01 -6.832509688e-01 -7.525200052e-01 3.68 -5.467961923e-01 -6.769321781e-01 -7.427335376e-01 3.70 -5.375245940e-01 -6.706878065e-01 -7.329910146e-01 3.72 -5.280826120e-01 -6.643550752e-01 -7.233143884e-01 3.74 -5.184798975e-01 -6.579287666e-01 -7.138540370e-01 3.76 -5.087265575e-01 -6.514041810e-01 -7.045922278e-01 3.78 -4.988331135e-01 -6.447767127e-01 -6.953988076e-01 3.80 -4.888106366e-01 -6.380421497e-01 -6.862930204e-01 3.82 -4.786707621e-01 -6.311967772e-01 -6.772902584e-01 3.84 -4.684256894e-01 -6.242374554e-01 -6.684023168e-01 3.86 -4.580881688e-01 -6.171616765e-01 -6.596376589e-01 3.88 -4.476714749e-01 -6.099672366e-01 -6.510016897e-01 3.90 -4.371893690e-01 -6.026787850e-01 -6.424970332e-01 3.92 -4.266560498e-01 -5.954090919e-01 -6.341238123e-01 3.94 -4.160860953e-01 -5.879960691e-01 -6.258799265e-01 3.96 -4.054943961e-01 -5.804773537e-01 -6.177613262e-01 3.98 -3.948957724e-01 -5.729623943e-01 -6.097622799e-01 4.00 -3.843058327e-01 -5.652816606e-01 -6.018756330e-01 4.02 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