# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Zuo-Y-Chen-C-Li-X-et-al--Li-SNAP # implementation = SNAP_ZuoChenLi_2019_Li__MO_732106099012_000 # composition = Li # 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 2024-11-27 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan 7.680553296e+03 nan nan nan nan 0.82 nan nan nan nan nan 6.134157800e+03 nan nan nan nan 0.84 nan nan nan nan nan 4.919119416e+03 nan nan 7.553023201e+03 nan 0.86 nan nan nan nan nan 3.969054953e+03 nan nan 6.108443916e+03 nan 0.88 nan nan nan nan nan 3.222636955e+03 nan nan 4.968046653e+03 nan 0.90 nan nan nan nan nan 2.625826709e+03 nan nan 4.061610845e+03 nan 0.92 nan 7.970357691e+03 nan nan nan 2.144974566e+03 8.318963054e+03 nan 3.332777754e+03 7.959067632e+03 0.94 nan 6.566567891e+03 nan nan nan 1.757532459e+03 6.850482874e+03 nan 2.743191398e+03 6.555624318e+03 0.96 nan 5.432628818e+03 nan nan nan 1.444490420e+03 5.662758287e+03 nan 2.265115823e+03 5.427057072e+03 0.98 nan 4.511938476e+03 nan nan nan 1.191643143e+03 4.699398744e+03 nan 1.875521521e+03 4.509424007e+03 1.00 nan 3.759933476e+03 8.248321916e+03 nan nan 9.859144621e+02 3.915982952e+03 nan 1.557740752e+03 3.765279140e+03 1.02 8.916347529e+03 3.146238492e+03 6.905956041e+03 8.904227083e+03 8.900440285e+03 8.179711773e+02 3.277485127e+03 7.473696645e+03 1.297904958e+03 3.154829402e+03 1.04 7.488994882e+03 2.641576576e+03 5.801979997e+03 7.473634941e+03 7.469434836e+03 6.808386957e+02 2.756516485e+03 6.271764990e+03 1.084872905e+03 2.647653578e+03 1.06 6.304405076e+03 2.224911833e+03 4.887248410e+03 6.297777439e+03 6.295422874e+03 5.678031624e+02 2.326073019e+03 5.277801716e+03 9.096544468e+02 2.225116079e+03 1.08 5.323038787e+03 1.878063406e+03 4.129240209e+03 5.324957668e+03 5.324509476e+03 4.743288524e+02 1.965998573e+03 4.456789864e+03 7.648786932e+02 1.873823517e+03 1.10 4.507275485e+03 1.590339936e+03 3.495571525e+03 4.514295042e+03 4.516382153e+03 3.973792657e+02 1.663825672e+03 3.775720562e+03 6.448394107e+02 1.583295864e+03 1.12 3.829600323e+03 1.351420204e+03 2.965842154e+03 3.837191307e+03 3.840439887e+03 3.341654339e+02 1.410835881e+03 3.208712029e+03 5.451625948e+02 1.342567812e+03 1.14 3.263920971e+03 1.151348423e+03 2.525545179e+03 3.269633777e+03 3.272274666e+03 2.823885955e+02 1.199182886e+03 2.736120667e+03 4.621548244e+02 1.141205605e+03 1.16 2.791552536e+03 9.836904020e+02 2.161106685e+03 2.793747878e+03 2.794963870e+03 2.401018047e+02 1.021885238e+03 2.341280553e+03 3.926281666e+02 9.722422296e+02 1.18 2.396823062e+03 8.419269104e+02 1.855257693e+03 2.394851246e+03 2.394674008e+03 2.051365007e+02 8.725819571e+02 2.009924191e+03 3.339378711e+02 8.304070023e+02 1.20 2.062397224e+03 7.213861210e+02 1.596853082e+03 2.058895387e+03 2.057870840e+03 1.758090768e+02 7.465310071e+02 1.729094738e+03 2.840544980e+02 7.111191809e+02 1.22 1.778379217e+03 6.194414820e+02 1.377408577e+03 1.774969748e+03 1.773321371e+03 1.508357734e+02 6.403870214e+02 1.490527981e+03 2.417663390e+02 6.105821324e+02 1.24 1.536720162e+03 5.332208783e+02 1.191429601e+03 1.533484710e+03 1.531438759e+03 1.296565860e+02 5.507715921e+02 1.286878585e+03 2.060583370e+02 5.253466689e+02 1.26 1.329654723e+03 4.594301424e+02 1.031263770e+03 1.327152927e+03 1.325240752e+03 1.115377524e+02 4.749975598e+02 1.112482338e+03 1.758827475e+02 4.522055065e+02 1.28 1.151817235e+03 3.963749534e+02 8.928520323e+02 1.150598089e+03 1.149390646e+03 9.596952118e+01 4.104198241e+02 9.627727788e+02 1.505025151e+02 3.890907820e+02 1.30 9.993241367e+02 3.426294506e+02 7.735973720e+02 9.994492062e+02 9.992224782e+02 8.257390823e+01 3.548178985e+02 8.345473873e+02 1.290292260e+02 3.348012943e+02 1.32 8.689688385e+02 2.964360414e+02 6.713006206e+02 8.698145133e+02 8.702246141e+02 7.106660702e+01 3.066383865e+02 7.249676440e+02 1.107680118e+02 2.883454723e+02 1.34 7.565471984e+02 2.564262419e+02 5.839113718e+02 7.580962945e+02 7.589663248e+02 6.122379832e+01 2.649897790e+02 6.307536227e+02 9.527069510e+01 2.488475486e+02 1.36 6.592556311e+02 2.219353902e+02 5.087702619e+02 6.613169649e+02 6.623957645e+02 5.282396002e+01 2.291364763e+02 5.497380296e+02 8.212360283e+01 2.154639234e+02 1.38 5.754297754e+02 1.923681435e+02 4.437092006e+02 5.775510774e+02 5.786117731e+02 4.562288359e+01 1.983801321e+02 4.801203557e+02 7.093568046e+01 1.870639677e+02 1.40 5.035500274e+02 1.670954342e+02 3.875198235e+02 5.051309280e+02 5.060101728e+02 3.947766959e+01 1.718882751e+02 4.201574123e+02 6.135429208e+01 1.624935765e+02 1.42 4.421750604e+02 1.452021838e+02 3.387756799e+02 4.425742909e+02 4.431530645e+02 3.416394057e+01 1.491243617e+02 3.683969980e+02 5.315019419e+01 1.413076978e+02 1.44 3.886716136e+02 1.261002266e+02 2.964699982e+02 3.881913833e+02 3.884853689e+02 2.954142499e+01 1.295455433e+02 3.231987169e+02 4.611200695e+01 1.229119146e+02 1.46 3.417510160e+02 1.094930698e+02 2.599538657e+02 3.408944853e+02 3.409421975e+02 2.554188242e+01 1.126612025e+02 2.837161198e+02 4.002662201e+01 1.069531760e+02 1.48 3.007375623e+02 9.512120112e+01 2.286132456e+02 2.997245128e+02 2.995521973e+02 2.210125401e+01 9.810841828e+01 2.491654842e+02 3.475292219e+01 9.317494504e+01 1.50 2.646604137e+02 8.268836423e+01 2.014779097e+02 2.638010564e+02 2.635085024e+02 1.915195093e+01 8.545061173e+01 2.189379403e+02 3.018322133e+01 8.128300114e+01 1.52 2.329531814e+02 7.193902210e+01 1.774551929e+02 2.323092314e+02 2.319195235e+02 1.656598053e+01 7.436965520e+01 1.924592905e+02 2.619266207e+01 7.103948902e+01 1.54 2.051850361e+02 6.256155656e+01 1.561087430e+02 2.046853162e+02 2.042039210e+02 1.428726942e+01 6.472403180e+01 1.691739794e+02 2.269361779e+01 6.223026058e+01 1.56 1.807355685e+02 5.432591052e+01 1.372095765e+02 1.803963735e+02 1.798713150e+02 1.228695097e+01 5.636956243e+01 1.486539036e+02 1.964036038e+01 5.458674289e+01 1.58 1.591556459e+02 4.711179134e+01 1.204763481e+02 1.590370865e+02 1.585403026e+02 1.052462349e+01 4.915709023e+01 1.306083089e+02 1.698633476e+01 4.791260605e+01 1.60 1.401857442e+02 4.082094762e+01 1.056399253e+02 1.402874051e+02 1.398897235e+02 8.963991317e+00 4.293172996e+01 1.148050508e+02 1.466810308e+01 4.208897801e+01 1.62 1.235654903e+02 3.535749939e+01 9.254178965e+01 1.237909845e+02 1.235561876e+02 7.591645103e+00 3.753221656e+01 1.009617846e+02 1.263230416e+01 3.701176937e+01 1.64 1.088935868e+02 3.062971592e+01 8.103160709e+01 1.092388033e+02 1.092160597e+02 6.393053669e+00 3.283735364e+01 8.877286140e+01 1.083974175e+01 3.253092584e+01 1.66 9.595520116e+01 2.655047788e+01 7.096279621e+01 9.637329649e+01 9.653903838e+01 5.352117049e+00 2.875093965e+01 7.805371607e+01 9.260438652e+00 2.857116110e+01 1.68 8.459648302e+01 2.300812444e+01 6.219084016e+01 8.498575547e+01 8.525720993e+01 4.451917754e+00 2.516290161e+01 6.862641192e+01 7.874098011e+00 2.508871823e+01 1.70 7.466640191e+01 1.992069227e+01 5.457454643e+01 7.494124497e+01 7.524479533e+01 3.675900331e+00 2.201287363e+01 6.035961860e+01 6.661510581e+00 2.204695215e+01 1.72 6.590551880e+01 1.722630714e+01 4.790130316e+01 6.605498257e+01 6.634499360e+01 3.001866754e+00 1.925210797e+01 5.306100390e+01 5.601899618e+00 1.936357910e+01 1.74 5.810098918e+01 1.487560895e+01 4.200555961e+01 5.817122220e+01 5.842519161e+01 2.412079456e+00 1.682606877e+01 4.660732892e+01 4.671014510e+00 1.696429600e+01 1.76 5.117530454e+01 1.283051534e+01 3.682216444e+01 5.120594959e+01 5.140721550e+01 1.897866896e+00 1.469668902e+01 4.091996057e+01 3.855542168e+00 1.482914181e+01 1.78 4.505075616e+01 1.105513286e+01 3.228572488e+01 4.506554080e+01 4.520469080e+01 1.451122176e+00 1.282132495e+01 3.592111548e+01 3.140171979e+00 1.293841018e+01 1.80 3.965011740e+01 9.516598117e+00 2.833067704e+01 3.963967905e+01 3.971460382e+01 1.064387533e+00 1.116474477e+01 3.153648727e+01 2.512258354e+00 1.127193132e+01 1.82 3.489153562e+01 8.179555094e+00 2.487357432e+01 3.485826818e+01 3.487759679e+01 7.268495029e-01 9.687701157e+00 2.769382880e+01 1.964738112e+00 9.797739148e+00 1.84 3.069564758e+01 7.009516571e+00 2.182880123e+01 3.065316501e+01 3.063426208e+01 4.269361273e-01 8.370939402e+00 2.432684233e+01 1.490383341e+00 8.476963699e+00 1.86 2.700348573e+01 5.987178576e+00 1.915093266e+01 2.696445397e+01 2.692304190e+01 1.617153501e-01 7.200288714e+00 2.138309582e+01 1.081583558e+00 7.292690937e+00 1.88 2.376222865e+01 5.091387294e+00 1.679471959e+01 2.373507792e+01 2.368305493e+01 -7.154130256e-02 6.162020059e+00 1.879446665e+01 7.304839751e-01 6.230803545e+00 1.90 2.092481097e+01 4.301337657e+00 1.471819546e+01 2.090817149e+01 2.085318336e+01 -2.755213720e-01 5.239175612e+00 1.651670786e+01 4.282626225e-01 5.279910102e+00 1.92 1.844938691e+01 3.595201457e+00 1.288590565e+01 1.843050904e+01 1.837664691e+01 -4.528342727e-01 4.420684055e+00 1.450021208e+01 1.663792502e-01 4.431104735e+00 1.94 1.628214948e+01 2.962529568e+00 1.127024705e+01 1.625340637e+01 1.620423191e+01 -6.059536131e-01 3.697098045e+00 1.270074104e+01 -6.333618714e-02 3.677271292e+00 1.96 1.433165008e+01 2.398134656e+00 9.850573474e+00 1.430883110e+01 1.427496137e+01 -7.371712148e-01 3.059345672e+00 1.108897517e+01 -2.647594742e-01 3.012171233e+00 1.98 1.257563954e+01 1.896864113e+00 8.609954922e+00 1.257174753e+01 1.256095255e+01 -8.485856092e-01 2.498541346e+00 9.649849303e+00 -4.410644135e-01 2.429600466e+00 2.00 1.099952458e+01 1.453416193e+00 7.513965563e+00 1.101815625e+01 1.103010438e+01 -9.421275211e-01 2.003874224e+00 8.368867357e+00 -5.961343891e-01 1.922846882e+00 2.02 9.589344324e+00 1.062287789e+00 6.542561337e+00 9.629941741e+00 9.660861747e+00 -1.019602531e+00 1.564537303e+00 7.232133699e+00 -7.325645054e-01 1.484554813e+00 2.04 8.331671264e+00 7.178507738e-01 5.679714342e+00 8.391320851e+00 8.437105784e+00 -1.083388841e+00 1.168424359e+00 6.226429111e+00 -8.525974867e-01 1.106956872e+00 2.06 7.213571670e+00 4.145319204e-01 4.897542706e+00 7.284548662e+00 7.341265144e+00 -1.137144049e+00 8.095883401e-01 5.334968815e+00 -9.582309066e-01 7.823227282e-01 2.08 6.222620415e+00 1.470519410e-01 4.188455099e+00 6.298208692e+00 6.362211329e+00 -1.182382297e+00 4.860288790e-01 4.542586898e+00 -1.051122776e+00 5.034352287e-01 2.10 5.343644940e+00 -8.933309613e-02 3.547179138e+00 5.419545770e+00 5.487841978e+00 -1.220378986e+00 1.965890656e-01 3.839512500e+00 -1.132802430e+00 2.607833554e-01 2.12 4.561262254e+00 -2.986457723e-01 2.969126979e+00 4.635709803e+00 4.706117429e+00 -1.252310282e+00 -5.964417458e-02 3.216644863e+00 -1.204895927e+00 4.584479723e-02 2.14 3.865920929e+00 -4.841017884e-01 2.450215744e+00 3.938292569e+00 4.009567965e+00 -1.279227639e+00 -2.838992484e-01 2.665630811e+00 -1.268696540e+00 -1.441776991e-01 2.16 3.248651647e+00 -6.481445410e-01 1.986648011e+00 3.317388281e+00 3.387270602e+00 -1.302033281e+00 -4.780968548e-01 2.178929925e+00 -1.325149485e+00 -3.121425339e-01 2.18 2.701153112e+00 -7.926757410e-01 1.574685974e+00 2.762736518e+00 2.826987590e+00 -1.321462059e+00 -6.449615185e-01 1.747604061e+00 -1.374779333e+00 -4.607944895e-01 2.20 2.215913770e+00 -9.207014777e-01 1.210457014e+00 2.268075634e+00 2.323777330e+00 -1.338075174e+00 -7.878651226e-01 1.362691880e+00 -1.418369847e+00 -5.925712254e-01 2.22 1.786295749e+00 -1.033708837e+00 8.889173413e-01 1.827835889e+00 1.873248274e+00 -1.352456071e+00 -9.104775165e-01 1.019692289e+00 -1.456769589e+00 -7.095031214e-01 2.24 1.406568119e+00 -1.133455593e+00 6.017878465e-01 1.437108099e+00 1.471436205e+00 -1.365689637e+00 -1.016839073e+00 7.147815114e-01 -1.490355067e+00 -8.132297557e-01 2.26 1.071894658e+00 -1.223365425e+00 3.444420986e-01 1.091613486e+00 1.114737587e+00 -1.378059087e+00 -1.110237149e+00 4.447136074e-01 -1.519488468e+00 -9.051063686e-01 2.28 7.782954368e-01 -1.304200599e+00 1.129979161e-01 7.876460725e-01 7.998220758e-01 -1.389695960e+00 -1.193039391e+00 2.057672368e-01 -1.544589873e+00 -9.863340581e-01 2.30 5.163436403e-01 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