# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-N # implementation = 2009--Do-E-C--Ga-N--LAMMPS--ipr1 # composition = N # 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 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 1.053362527e+02 nan nan nan nan 0.68 nan nan nan nan nan 9.472199778e+01 nan nan nan nan 0.70 nan nan nan nan nan 8.510497644e+01 nan nan 1.196688323e+02 nan 0.72 nan nan nan nan nan 7.639887891e+01 nan nan 1.083805485e+02 nan 0.74 nan nan nan nan nan 6.852446460e+01 nan nan 9.820945570e+01 nan 0.76 nan nan nan nan nan 6.140900401e+01 nan nan 8.904965634e+01 nan 0.78 nan 1.965170144e+02 nan nan nan 5.498576403e+01 1.054020085e+02 nan 8.080492371e+01 1.126384577e+02 0.80 nan 1.813304782e+02 nan nan nan 4.919353254e+01 9.604689278e+01 nan 7.338784022e+01 1.027675273e+02 0.82 nan 1.675687014e+02 nan nan nan 4.397617967e+01 8.757109856e+01 nan 6.671901145e+01 9.380528465e+01 0.84 nan 1.550964873e+02 1.395356016e+02 nan nan 3.928225312e+01 7.989653319e+01 nan 6.072634891e+01 8.567273300e+01 0.86 2.444653824e+02 1.437911562e+02 1.287095933e+02 2.444653824e+02 2.444653824e+02 3.506460438e+01 7.295169551e+01 2.298542491e+02 5.534441583e+01 7.829740276e+01 0.88 2.276507862e+02 1.335414143e+02 1.188435037e+02 2.276507862e+02 2.276507862e+02 3.128004445e+01 6.667113973e+01 2.139561227e+02 5.051383055e+01 7.161283199e+01 0.90 2.122309390e+02 1.242463235e+02 1.098545618e+02 2.122309390e+02 2.122309390e+02 2.788902562e+01 6.099498135e+01 1.994004754e+02 4.618072212e+01 6.555808657e+01 0.92 1.980888471e+02 1.158143624e+02 1.016668376e+02 1.980888471e+02 1.980888471e+02 2.485534869e+01 5.586844276e+01 1.860722989e+02 4.229623430e+01 6.007731834e+01 0.94 1.851170798e+02 1.081625701e+02 9.421069560e+01 1.851170798e+02 1.851170798e+02 2.214589237e+01 5.124143434e+01 1.738661898e+02 3.881607282e+01 5.511935675e+01 0.96 1.732170097e+02 1.012157665e+02 8.742229100e+01 1.732170097e+02 1.732170097e+02 1.973036432e+01 4.706816944e+01 1.626855696e+02 3.570009311e+01 5.063733307e+01 0.98 1.622981104e+02 9.490584182e+01 8.124310516e+01 1.622981104e+02 1.622981104e+02 1.758107128e+01 4.330680965e+01 1.524419656e+02 3.291192418e+01 4.658833326e+01 1.00 1.522773101e+02 8.917110936e+01 7.561951721e+01 1.522773101e+02 1.522773101e+02 1.567270750e+01 3.991913863e+01 1.430543501e+02 3.041862594e+01 4.293307841e+01 1.02 1.430783947e+02 8.395571634e+01 7.050240908e+01 1.430783947e+02 1.430783947e+02 1.398215962e+01 3.687026199e+01 1.344485311e+02 2.819037698e+01 3.963562999e+01 1.04 1.346314577e+02 7.920910730e+01 6.584680146e+01 1.346314577e+02 1.346314577e+02 1.248832699e+01 3.412833124e+01 1.265565918e+02 2.620019003e+01 3.666311824e+01 1.06 1.268723932e+02 7.488553570e+01 6.161151844e+01 1.268723932e+02 1.268723932e+02 1.117195618e+01 3.166428996e+01 1.193163755e+02 2.442365275e+01 3.398549206e+01 1.08 1.197424286e+02 7.094361935e+01 5.775887827e+01 1.197424286e+02 1.197424286e+02 1.001548852e+01 2.945164034e+01 1.126710105e+02 2.283869168e+01 3.157528837e+01 1.10 1.131876935e+02 6.734593606e+01 5.425440871e+01 1.131876935e+02 1.131876935e+02 9.002919828e+00 2.746622872e+01 1.065684746e+02 2.142535729e+01 2.940741994e+01 1.12 1.071588231e+02 6.405865556e+01 5.106658463e+01 1.071588231e+02 1.071588231e+02 8.119671148e+00 2.568604828e+01 1.009611931e+02 2.016562815e+01 2.745897980e+01 1.14 1.016105926e+02 6.105120495e+01 4.816658658e+01 1.016105926e+02 1.016105926e+02 7.352469980e+00 2.409105798e+01 9.580567008e+01 1.904323284e+01 2.570906134e+01 1.16 9.650158016e+01 5.829596430e+01 4.552807829e+01 9.650158016e+01 9.650158016e+01 6.689240799e+00 2.266301600e+01 9.106214911e+01 1.804348768e+01 2.413859256e+01 1.18 9.179385687e+01 5.576799009e+01 4.312700200e+01 9.179385687e+01 9.179385687e+01 6.119004514e+00 2.138532691e+01 8.669430152e+01 1.715314923e+01 2.273018370e+01 1.20 8.745270114e+01 5.344476370e+01 4.094138999e+01 8.745270114e+01 8.745270114e+01 5.631785875e+00 2.024290124e+01 8.266893968e+01 1.636027994e+01 2.146798689e+01 1.22 8.344633582e+01 5.130596301e+01 3.895119122e+01 8.344633582e+01 8.344633582e+01 5.218528438e+00 1.922202662e+01 7.895575379e+01 1.565412610e+01 2.033756715e+01 1.24 7.974568614e+01 4.933325484e+01 3.713811180e+01 7.974568614e+01 7.974568614e+01 4.871016330e+00 1.831024948e+01 7.552706998e+01 1.502500669e+01 1.932578372e+01 1.26 7.632415709e+01 4.751010646e+01 3.548546829e+01 7.632415709e+01 7.632415709e+01 4.581802390e+00 1.749626645e+01 7.235762815e+01 1.446421251e+01 1.842068091e+01 1.28 7.315742849e+01 4.582161449e+01 3.397805278e+01 7.315742849e+01 7.315742849e+01 4.344142151e+00 1.676982487e+01 6.942437799e+01 1.396391428e+01 1.761138789e+01 1.30 7.022326651e+01 4.425434958e+01 3.260200882e+01 7.022326651e+01 7.022326651e+01 4.151933172e+00 1.612163133e+01 6.670629169e+01 1.351707934e+01 1.688802640e+01 1.32 6.750135037e+01 4.279621548e+01 3.134471745e+01 6.750135037e+01 6.750135037e+01 3.999659386e+00 1.554326807e+01 6.418419208e+01 1.311739581e+01 1.624162617e+01 1.34 6.497311293e+01 4.143632116e+01 3.019469241e+01 6.497311293e+01 6.497311293e+01 3.882339953e+00 1.502711608e+01 6.184059486e+01 1.275920380e+01 1.566404708e+01 1.36 6.262159421e+01 4.016486495e+01 2.914148391e+01 6.262159421e+01 6.262159421e+01 3.795482386e+00 1.456628487e+01 5.965956392e+01 1.243743290e+01 1.514790775e+01 1.38 6.043130670e+01 3.897302936e+01 2.817559019e+01 6.043130670e+01 6.043130670e+01 3.735039499e+00 1.415454796e+01 5.762657864e+01 1.214754549e+01 1.468651995e+01 1.40 5.838811165e+01 3.785288590e+01 2.728837642e+01 5.838811165e+01 5.838811165e+01 3.697369966e+00 1.378628390e+01 5.572841211e+01 1.188548524e+01 1.427382846e+01 1.42 5.647910540e+01 3.679730878e+01 2.647200011e+01 5.647910540e+01 5.647910540e+01 3.679202135e+00 1.345642223e+01 5.395301962e+01 1.164763043e+01 1.390435582e+01 1.44 5.469251499e+01 3.579989675e+01 2.571934280e+01 5.469251499e+01 5.469251499e+01 3.677600884e+00 1.316039400e+01 5.228943640e+01 1.143075161e+01 1.357315172e+01 1.46 5.301760229e+01 3.485490236e+01 2.502394727e+01 5.301760229e+01 5.301760229e+01 3.689937252e+00 1.289408660e+01 5.072768390e+01 1.123197321e+01 1.327574657e+01 1.48 5.144457602e+01 3.395716797e+01 2.437996003e+01 5.144457602e+01 5.144457602e+01 3.713860629e+00 1.265380230e+01 4.925868397e+01 1.104873874e+01 1.300810893e+01 1.50 4.996451103e+01 3.310206782e+01 2.378207858e+01 4.996451103e+01 4.996451103e+01 3.747273301e+00 1.243622048e+01 4.787418029e+01 1.087877928e+01 1.276660653e+01 1.52 4.856927417e+01 3.228545562e+01 2.322550303e+01 4.856927417e+01 4.856927417e+01 3.788307158e+00 1.223836304e+01 4.656666640e+01 1.072008496e+01 1.254797055e+01 1.54 4.725145635e+01 3.150361728e+01 2.270589181e+01 4.725145635e+01 4.725145635e+01 3.835302397e+00 1.205756279e+01 4.532931984e+01 1.057087908e+01 1.234926291e+01 1.56 4.600431025e+01 3.075322806e+01 2.221932106e+01 4.600431025e+01 4.600431025e+01 3.886788040e+00 1.189143466e+01 4.415594193e+01 1.042959474e+01 1.216784639e+01 1.58 4.482169318e+01 3.003131397e+01 2.176224751e+01 4.482169318e+01 4.482169318e+01 3.941464147e+00 1.173784932e+01 4.304090263e+01 1.029485372e+01 1.200135718e+01 1.60 4.369801475e+01 2.933521686e+01 2.133147445e+01 4.369801475e+01 4.369801475e+01 3.998185560e+00 1.159490921e+01 4.197909019e+01 1.016544730e+01 1.184767988e+01 1.62 4.262818890e+01 2.866256292e+01 2.092412058e+01 4.262818890e+01 4.262818890e+01 4.055947068e+00 1.146092660e+01 4.096586505e+01 1.004031900e+01 1.170492462e+01 1.64 4.160759001e+01 2.801123427e+01 2.053759161e+01 4.160759001e+01 4.160759001e+01 4.113869875e+00 1.133440365e+01 3.999701780e+01 9.918548937e+00 1.157140611e+01 1.66 4.063201264e+01 2.737934332e+01 2.016955417e+01 4.063201264e+01 4.063201264e+01 4.171189254e+00 1.121401417e+01 3.906873071e+01 9.799339716e+00 1.144562457e+01 1.68 3.969763479e+01 2.676520965e+01 1.981791208e+01 3.969763479e+01 3.969763479e+01 4.227243301e+00 1.109858715e+01 3.817754264e+01 9.682003671e+00 1.132624829e+01 1.70 3.880098417e+01 2.616733918e+01 1.948078457e+01 3.880098417e+01 3.880098417e+01 4.281462690e+00 1.098709156e+01 3.732031699e+01 9.565951360e+00 1.121209769e+01 1.72 3.793890746e+01 2.558440536e+01 1.915648651e+01 3.793890746e+01 3.793890746e+01 4.333361350e+00 1.087862275e+01 3.649421250e+01 9.450681169e+00 1.110213088e+01 1.74 3.710854210e+01 2.501523226e+01 1.884351025e+01 3.710854210e+01 3.710854210e+01 4.382527981e+00 1.077238991e+01 3.569665653e+01 9.335769937e+00 1.099543034e+01 1.76 3.630729058e+01 2.445877932e+01 1.854050913e+01 3.630729058e+01 3.630729058e+01 4.428618343e+00 1.066770474e+01 3.492532080e+01 9.220864495e+00 1.089119096e+01 1.78 3.553279693e+01 2.391412757e+01 1.824628241e+01 3.553279693e+01 3.553279693e+01 4.471348259e+00 1.056397123e+01 3.417809919e+01 9.105674030e+00 1.078870904e+01 1.80 3.478292522e+01 2.338046730e+01 1.795976157e+01 3.478292522e+01 3.478292522e+01 4.510487249e+00 1.046067624e+01 3.345308757e+01 8.989963203e+00 1.068737230e+01 1.82 3.405573999e+01 2.285708684e+01 1.767999776e+01 3.405573999e+01 3.405573999e+01 4.545852772e+00 1.035738107e+01 3.274856542e+01 8.873545933e+00 1.058665083e+01 1.84 3.334948831e+01 2.234336253e+01 1.740615046e+01 3.334948831e+01 3.334948831e+01 4.577304996e+00 1.025371380e+01 3.206297905e+01 8.756279794e+00 1.048608880e+01 1.86 3.266258348e+01 2.183874964e+01 1.713747708e+01 3.266258348e+01 3.266258348e+01 4.604742070e+00 1.014936230e+01 3.139492639e+01 8.638060964e+00 1.038529704e+01 1.88 3.199359013e+01 2.134277418e+01 1.687332357e+01 3.199359013e+01 3.199359013e+01 4.628095842e+00 1.004406797e+01 3.074314312e+01 8.518819656e+00 1.028394615e+01 1.90 3.134121066e+01 2.085502549e+01 1.661311585e+01 3.134121066e+01 3.134121066e+01 4.647327987e+00 9.937620016e+00 3.010649005e+01 8.398516011e+00 1.018176042e+01 1.92 3.070427282e+01 2.037514961e+01 1.635635200e+01 3.070427282e+01 3.070427282e+01 4.662426519e+00 9.829850317e+00 2.948394166e+01 8.277136372e+00 1.007851219e+01 1.94 3.008171847e+01 1.990284320e+01 1.610259520e+01 3.008171847e+01 3.008171847e+01 4.673402631e+00 9.720628771e+00 2.887457564e+01 8.154689940e+00 9.974016780e+00 1.96 2.947259331e+01 1.943784809e+01 1.585146734e+01 2.947259331e+01 2.947259331e+01 4.680287857e+00 9.609859088e+00 2.827756348e+01 8.031205738e+00 9.868127934e+00 1.98 2.887603749e+01 1.897994632e+01 1.560264315e+01 2.887603749e+01 2.887603749e+01 4.683131510e+00 9.497475003e+00 2.769216176e+01 7.906729878e+00 9.760733650e+00 2.00 2.829127712e+01 1.852895567e+01 1.535584493e+01 2.829127712e+01 2.829127712e+01 4.681998382e+00 9.383436850e+00 2.711770440e+01 7.781323091e+00 9.651752438e+00 2.02 2.771761650e+01 1.808472557e+01 1.511083778e+01 2.771761650e+01 2.771761650e+01 4.676966674e+00 9.267728481e+00 2.655359549e+01 7.655058495e+00 9.541129923e+00 2.04 2.715443105e+01 1.764713339e+01 1.486742526e+01 2.715443105e+01 2.715443105e+01 4.668126135e+00 9.150354484e+00 2.599930287e+01 7.528019577e+00 9.428835788e+00 2.06 2.660116090e+01 1.721608105e+01 1.462544539e+01 2.660116090e+01 2.660116090e+01 4.655576398e+00 9.031337675e+00 2.545435219e+01 7.400298377e+00 9.314861009e+00 2.08 2.605730501e+01 1.679149198e+01 1.438476717e+01 2.605730501e+01 2.605730501e+01 4.639425485e+00 8.910716848e+00 2.491832161e+01 7.271993844e+00 9.199215358e+00 2.10 2.552241585e+01 1.637330825e+01 1.414528730e+01 2.552241585e+01 2.552241585e+01 4.619788471e+00 8.788544733e+00 2.439083691e+01 7.143210354e+00 9.081925156e+00 2.12 2.499609454e+01 1.596148806e+01 1.390692728e+01 2.499609454e+01 2.499609454e+01 4.596786285e+00 8.664886173e+00 2.387156707e+01 7.014056380e+00 8.963031244e+00 2.14 2.447798644e+01 1.555600337e+01 1.366963071e+01 2.447798644e+01 2.447798644e+01 4.570544643e+00 8.539816471e+00 2.336022020e+01 6.884643289e+00 8.842587151e+00 2.16 2.396777706e+01 1.515683775e+01 1.343336095e+01 2.396777706e+01 2.396777706e+01 4.541193089e+00 8.413419903e+00 2.285653992e+01 6.755084268e+00 8.720657447e+00 2.18 2.346518844e+01 1.476398439e+01 1.319809891e+01 2.346518844e+01 2.346518844e+01 4.508864149e+00 8.285788379e+00 2.236030195e+01 6.625493363e+00 8.597316259e+00 2.20 2.296997575e+01 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