# 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 = NaRb3 # 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 nan nan nan 1.16 1.406751858e+03 nan nan 1.18 1.319075228e+03 nan nan 1.20 1.237595798e+03 nan nan 1.22 1.161805079e+03 nan nan 1.24 1.091244491e+03 nan nan 1.26 1.025499423e+03 nan nan 1.28 9.641902148e+02 1.346925710e+03 nan 1.30 9.069731486e+02 1.270126164e+03 nan 1.32 8.535339155e+02 1.198281877e+03 1.335810081e+03 1.34 8.035859279e+02 1.131023411e+03 1.261845977e+03 1.36 7.568679642e+02 1.068013080e+03 1.192521764e+03 1.38 7.131386606e+02 1.008940168e+03 1.127498232e+03 1.40 6.721813026e+02 9.535176738e+02 1.066462291e+03 1.42 6.337962409e+02 9.014882338e+02 1.009133156e+03 1.44 5.978020209e+02 8.526127388e+02 9.552501153e+02 1.46 5.640300026e+02 8.066707305e+02 9.045726871e+02 1.48 5.323262770e+02 7.634586958e+02 8.568808173e+02 1.50 5.025488125e+02 7.227936329e+02 8.119733590e+02 1.52 4.745657736e+02 6.845040153e+02 7.696626368e+02 1.54 4.482579030e+02 6.484340108e+02 7.297767972e+02 1.56 4.235135854e+02 6.144361339e+02 6.921585513e+02 1.58 4.002280917e+02 5.823776926e+02 6.566608256e+02 1.60 3.783039727e+02 5.521357993e+02 6.231474253e+02 1.62 3.576545879e+02 5.235947698e+02 5.914940552e+02 1.64 3.381976454e+02 4.966471216e+02 5.615854894e+02 1.66 3.198557836e+02 4.711919906e+02 5.333127492e+02 1.68 3.025576557e+02 4.471360153e+02 5.065757207e+02 1.70 2.862397763e+02 4.243940415e+02 4.812791715e+02 1.72 2.708409823e+02 4.028853082e+02 4.573391771e+02 1.74 2.563047139e+02 3.825361104e+02 4.346734648e+02 1.76 2.425782990e+02 3.632760659e+02 4.132070695e+02 1.78 2.296125662e+02 3.450390104e+02 3.928694534e+02 1.80 2.173631561e+02 3.277646760e+02 3.735931989e+02 1.82 2.057886976e+02 3.113975214e+02 3.553195569e+02 1.84 1.948496323e+02 2.958850499e+02 3.379906674e+02 1.86 1.845091797e+02 2.811790740e+02 3.215528347e+02 1.88 1.747319129e+02 2.672341977e+02 3.059558844e+02 1.90 1.654867527e+02 2.540079157e+02 2.911524139e+02 1.92 1.567431136e+02 2.414603369e+02 2.770979139e+02 1.94 1.484728847e+02 2.295542116e+02 2.637518875e+02 1.96 1.406487919e+02 2.182550191e+02 2.510763814e+02 1.98 1.332454074e+02 2.075304770e+02 2.390346694e+02 2.00 1.262383727e+02 1.973492766e+02 2.275922974e+02 2.02 1.196048800e+02 1.876819712e+02 2.167169132e+02 2.04 1.133242652e+02 1.785013219e+02 2.063773977e+02 2.06 1.073761036e+02 1.697826093e+02 1.965452048e+02 2.08 1.017413133e+02 1.615010224e+02 1.871946151e+02 2.10 9.640266125e+01 1.536331354e+02 1.782998064e+02 2.12 9.134322477e+01 1.461566228e+02 1.698371166e+02 2.14 8.654718169e+01 1.390504266e+02 1.617837529e+02 2.16 8.200000365e+01 1.322945579e+02 1.541190831e+02 2.18 7.768740032e+01 1.258711691e+02 1.468229672e+02 2.20 7.359710934e+01 1.197627393e+02 1.398764360e+02 2.22 6.971700114e+01 1.139525064e+02 1.332613165e+02 2.24 6.603574255e+01 1.084246914e+02 1.269609640e+02 2.26 6.254273655e+01 1.031641388e+02 1.209596624e+02 2.28 5.922790987e+01 9.815725305e+01 1.152423256e+02 2.30 5.608203377e+01 9.339067305e+01 1.097945838e+02 2.32 5.309653089e+01 8.885179328e+01 1.046024567e+02 2.34 5.026319285e+01 8.452963355e+01 9.965363252e+01 2.36 4.757426765e+01 8.041316622e+01 9.493674441e+01 2.38 4.502230934e+01 7.649203174e+01 9.044032301e+01 2.40 4.260006364e+01 7.275649403e+01 8.615354726e+01 2.42 4.030168849e+01 6.919739839e+01 8.206620105e+01 2.44 3.812091774e+01 6.580613183e+01 7.816863278e+01 2.46 3.605156477e+01 6.257405207e+01 7.445111728e+01 2.48 3.408831536e+01 5.949419767e+01 7.090578417e+01 2.50 3.222582133e+01 5.655936636e+01 6.752446082e+01 2.52 3.045897852e+01 5.376271474e+01 6.429935216e+01 2.54 2.878293827e+01 5.109778447e+01 6.122307592e+01 2.56 2.719309073e+01 4.855847172e+01 5.828863431e+01 2.58 2.568449234e+01 4.613899868e+01 5.548938844e+01 2.60 2.425356437e+01 4.383354418e+01 5.281894960e+01 2.62 2.289641160e+01 4.163708788e+01 5.027079366e+01 2.64 2.160942480e+01 3.954501354e+01 4.783989004e+01 2.66 2.038900842e+01 3.755255785e+01 4.552096398e+01 2.68 1.923164677e+01 3.565497567e+01 4.330887514e+01 2.70 1.813401186e+01 3.384804481e+01 4.119868047e+01 2.72 1.709343529e+01 3.212782697e+01 3.918568652e+01 2.74 1.610702691e+01 3.049031802e+01 3.726543513e+01 2.76 1.517206135e+01 2.893139186e+01 3.543369017e+01 2.78 1.428596645e+01 2.744783882e+01 3.368594931e+01 2.80 1.344631190e+01 2.603612798e+01 3.201870458e+01 2.82 1.265079838e+01 2.469285291e+01 3.042867170e+01 2.84 1.189724722e+01 2.341475408e+01 2.891233121e+01 2.86 1.118359055e+01 2.219849766e+01 2.746634045e+01 2.88 1.050786230e+01 2.104150980e+01 2.608752158e+01 2.90 9.868189825e+00 1.994090925e+01 2.477285038e+01 2.92 9.262786398e+00 1.889375097e+01 2.351944584e+01 2.94 8.689944483e+00 1.789746151e+01 2.232456049e+01 2.96 8.148029889e+00 1.694974700e+01 2.118557165e+01 2.98 7.635476735e+00 1.604817862e+01 2.009997338e+01 3.00 7.150783223e+00 1.519044225e+01 1.906527478e+01 3.02 6.692300398e+00 1.437433470e+01 1.807921652e+01 3.04 6.258780511e+00 1.359776004e+01 1.713970910e+01 3.06 5.849047112e+00 1.285872626e+01 1.624463747e+01 3.08 5.461809151e+00 1.215534204e+01 1.539197629e+01 3.10 5.095831870e+00 1.148581360e+01 1.457949489e+01 3.12 4.749935479e+00 1.084844160e+01 1.380566393e+01 3.14 4.422844992e+00 1.024161796e+01 1.306873457e+01 3.16 4.113652178e+00 9.663822688e+00 1.236698488e+01 3.18 3.821361165e+00 9.113562652e+00 1.169876750e+01 3.20 3.544994786e+00 8.589485600e+00 1.106250649e+01 3.22 3.283629082e+00 8.090403575e+00 1.045669446e+01 3.24 3.036374122e+00 7.615107200e+00 9.879853385e+00 3.26 2.802414275e+00 7.162458639e+00 9.330614776e+00 3.28 2.580960973e+00 6.731387431e+00 8.807625176e+00 3.30 2.371211283e+00 6.320886276e+00 8.309463766e+00 3.32 2.172650507e+00 5.930006793e+00 7.835248485e+00 3.34 1.984639141e+00 5.557855306e+00 7.383811355e+00 3.36 1.806583046e+00 5.203588696e+00 6.954040685e+00 3.38 1.637931094e+00 4.866410355e+00 6.544878670e+00 3.40 1.478172698e+00 4.545566296e+00 6.155319113e+00 3.42 1.326835231e+00 4.240341447e+00 5.784405295e+00 3.44 1.183481400e+00 3.950056170e+00 5.431227959e+00 3.46 1.047706576e+00 3.673993044e+00 5.094923422e+00 3.48 9.191361386e-01 3.411591016e+00 4.774671787e+00 3.50 7.974228572e-01 3.162292043e+00 4.469695241e+00 3.52 6.822443434e-01 2.925524790e+00 4.179256437e+00 3.54 5.733006071e-01 2.700740801e+00 3.902656913e+00 3.56 4.703117374e-01 2.487412670e+00 3.639235564e+00 3.58 3.730157340e-01 2.285032501e+00 3.388367126e+00 3.60 2.811665025e-01 2.093106521e+00 3.149460665e+00 3.62 1.945320284e-01 1.910884376e+00 2.921958072e+00 3.64 1.128927353e-01 1.738258022e+00 2.705332535e+00 3.66 3.604003062e-02 1.574775586e+00 2.499087000e+00 3.68 -3.632676688e-02 1.419912029e+00 2.302549003e+00 3.70 -1.042844777e-01 1.273350586e+00 2.115503179e+00 3.72 -1.680044862e-01 1.134700178e+00 1.937554660e+00 3.74 -2.276886200e-01 1.003572126e+00 1.768300701e+00 3.76 -2.835040852e-01 8.795945485e-01 1.607361958e+00 3.78 -3.355933887e-01 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