# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1988--Tersoff-J--Si-c # implementation = 1988--Tersoff-J--Si-c--LAMMPS--ipr1 # composition = Si # 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 4.210442479e+03 nan nan nan nan 0.58 nan nan nan nan nan 3.722570847e+03 nan nan 4.348481394e+03 nan 0.60 nan nan nan nan nan 3.305938105e+03 nan nan 3.859171217e+03 nan 0.62 nan nan nan nan nan 2.949609314e+03 nan nan 3.434664397e+03 nan 0.64 nan 4.291288244e+03 nan nan nan 2.627119135e+03 nan nan 3.062485829e+03 nan 0.66 nan 3.848179877e+03 nan nan nan 2.336059505e+03 3.925250216e+03 nan 2.740821836e+03 3.865127806e+03 0.68 nan 3.458517483e+03 nan nan nan 2.084842331e+03 3.528397669e+03 nan 2.463638740e+03 3.469871693e+03 0.70 nan 3.114280453e+03 4.246534669e+03 nan nan 1.870974063e+03 3.171755908e+03 nan 2.217493742e+03 3.124772617e+03 0.72 4.253654407e+03 2.806787425e+03 3.847677059e+03 4.253629517e+03 4.254397241e+03 1.685325887e+03 2.857825188e+03 3.971097749e+03 1.996284881e+03 2.829761268e+03 0.74 3.863304782e+03 2.537885141e+03 3.491984452e+03 3.859108930e+03 3.856991485e+03 1.521770446e+03 2.587297148e+03 3.604335754e+03 1.799495470e+03 2.568574917e+03 0.76 3.516020197e+03 2.297683518e+03 3.169639424e+03 3.509016163e+03 3.506198839e+03 1.372662144e+03 2.349978968e+03 3.272887659e+03 1.625292177e+03 2.327104781e+03 0.78 3.198288113e+03 2.081385767e+03 2.882749229e+03 3.196100080e+03 3.194462466e+03 1.237278315e+03 2.136130337e+03 2.972727708e+03 1.468855678e+03 2.107555455e+03 0.80 2.908356235e+03 1.888131223e+03 2.626373837e+03 2.913533645e+03 2.914045737e+03 1.118056788e+03 1.941871553e+03 2.703940644e+03 1.328497543e+03 1.915141743e+03 0.82 2.650836721e+03 1.716566230e+03 2.387241419e+03 2.657399274e+03 2.658912099e+03 1.010681239e+03 1.765611284e+03 2.465478521e+03 1.201567459e+03 1.746941714e+03 0.84 2.424833057e+03 1.560746186e+03 2.170986462e+03 2.427198431e+03 2.428711636e+03 9.141991511e+02 1.609353268e+03 2.253144492e+03 1.088465354e+03 1.594272983e+03 0.86 2.222053808e+03 1.420505388e+03 1.980944104e+03 2.220648780e+03 2.222022923e+03 8.272037896e+02 1.471555165e+03 2.062720358e+03 9.872932602e+02 1.454842138e+03 0.88 2.037709750e+03 1.297517344e+03 1.817882034e+03 2.034631081e+03 2.035550121e+03 7.515388698e+02 1.348126730e+03 1.889976964e+03 8.962050305e+02 1.326565658e+03 0.90 1.870693509e+03 1.187378207e+03 1.673154855e+03 1.866255298e+03 1.865030429e+03 6.853350970e+02 1.233153845e+03 1.733271876e+03 8.148547301e+02 1.210758904e+03 0.92 1.717827095e+03 1.084913862e+03 1.539540543e+03 1.713615338e+03 1.710257003e+03 6.252933921e+02 1.126883037e+03 1.589434326e+03 7.425579043e+02 1.105378180e+03 0.94 1.576552580e+03 9.906638664e+02 1.414390528e+03 1.575450712e+03 1.571595665e+03 5.695458634e+02 1.029751435e+03 1.458713054e+03 6.781753356e+02 1.008348263e+03 0.96 1.449360552e+03 9.065030621e+02 1.299507838e+03 1.450242968e+03 1.447383662e+03 5.185569581e+02 9.408061272e+02 1.341928372e+03 6.194892969e+02 9.217826190e+02 0.98 1.334982890e+03 8.313576152e+02 1.193911186e+03 1.336474605e+03 1.335407160e+03 4.705595195e+02 8.596501762e+02 1.237180341e+03 5.659860954e+02 8.436235242e+02 1.00 1.233389208e+03 7.628175957e+02 1.098552561e+03 1.233820323e+03 1.233983184e+03 4.265600574e+02 7.866038348e+02 1.142107733e+03 5.178632732e+02 7.742504127e+02 1.02 1.141861069e+03 6.979964860e+02 1.012736648e+03 1.140708596e+03 1.141632874e+03 3.873666167e+02 7.216722664e+02 1.052846543e+03 4.740449479e+02 7.121982269e+02 1.04 1.054558531e+03 6.368783525e+02 9.354126864e+02 1.053727398e+03 1.055538086e+03 3.532044683e+02 6.641000208e+02 9.672564651e+02 4.326799734e+02 6.559904230e+02 1.06 9.698504266e+02 5.817529893e+02 8.655199619e+02 9.710743040e+02 9.737554836e+02 3.242187804e+02 6.124613264e+02 8.877358889e+02 3.937901344e+02 6.054386229e+02 1.08 8.908636843e+02 5.333148089e+02 7.992947461e+02 8.938535357e+02 8.966580660e+02 2.986403678e+02 5.646144074e+02 8.165369808e+02 3.579246150e+02 5.594708284e+02 1.10 8.199111604e+02 4.912350474e+02 7.345812149e+02 8.234290837e+02 8.258183917e+02 2.738730740e+02 5.197196388e+02 7.537653436e+02 3.260755602e+02 5.170923028e+02 1.12 7.577288418e+02 4.542622333e+02 6.735309344e+02 7.605320567e+02 7.621771021e+02 2.502026353e+02 4.780786770e+02 6.979241827e+02 2.982153001e+02 4.767640751e+02 1.14 7.033920826e+02 4.204509090e+02 6.184828909e+02 7.045875252e+02 7.054017834e+02 2.283228603e+02 4.399638123e+02 6.474859765e+02 2.728040898e+02 4.372590421e+02 1.16 6.536207969e+02 3.890853116e+02 5.705939845e+02 6.533251685e+02 6.532360324e+02 2.087082274e+02 4.055512429e+02 6.007699129e+02 2.490899977e+02 3.999369791e+02 1.18 6.075492794e+02 3.594920900e+02 5.289576900e+02 6.061462441e+02 6.050724827e+02 1.914019680e+02 3.745841712e+02 5.571809333e+02 2.268454249e+02 3.659526131e+02 1.20 5.651962474e+02 3.309191650e+02 4.914427498e+02 5.629935795e+02 5.609127949e+02 1.757434504e+02 3.457757294e+02 5.169642510e+02 2.063384531e+02 3.359569085e+02 1.22 5.258547827e+02 3.033065594e+02 4.565024787e+02 5.231613179e+02 5.204719475e+02 1.610994573e+02 3.185819383e+02 4.793068487e+02 1.880053481e+02 3.094610426e+02 1.24 4.875412429e+02 2.770567807e+02 4.239387802e+02 4.851791666e+02 4.828170877e+02 1.475409987e+02 2.930709735e+02 4.433033778e+02 1.716538154e+02 2.840399772e+02 1.26 4.506482737e+02 2.529895162e+02 3.938325580e+02 4.493150401e+02 4.479818048e+02 1.352343936e+02 2.686649552e+02 4.096588609e+02 1.567075064e+02 2.592751226e+02 1.28 4.161561452e+02 2.316439836e+02 3.661584695e+02 4.159998696e+02 4.158435931e+02 1.242321263e+02 2.454471093e+02 3.788828072e+02 1.431146384e+02 2.361723939e+02 1.30 3.847864124e+02 2.129779246e+02 3.407814338e+02 3.855130871e+02 3.862397617e+02 1.144707682e+02 2.237867514e+02 3.509026102e+02 1.308896430e+02 2.155050364e+02 1.32 3.568653769e+02 1.966244482e+02 3.173017631e+02 3.580671184e+02 3.592688601e+02 1.056167714e+02 2.032934587e+02 3.256365162e+02 1.198864709e+02 1.976454629e+02 1.34 3.323101912e+02 1.818614196e+02 2.954135549e+02 3.335698036e+02 3.348294167e+02 9.742685735e+01 1.843368504e+02 3.024321239e+02 1.101050709e+02 1.825525460e+02 1.36 3.100295229e+02 1.682524459e+02 2.749117927e+02 3.111746695e+02 3.123198175e+02 8.984973585e+01 1.675420423e+02 2.806573681e+02 1.014204938e+02 1.692422999e+02 1.38 2.883242987e+02 1.551603472e+02 2.552287230e+02 2.895813197e+02 2.908383425e+02 8.283746224e+01 1.530523617e+02 2.598917279e+02 9.349818542e+01 1.563927684e+02 1.40 2.673815985e+02 1.426604169e+02 2.364568451e+02 2.689058867e+02 2.704301771e+02 7.634540987e+01 1.404735619e+02 2.404052810e+02 8.615093969e+01 1.440884414e+02 1.42 2.475609278e+02 1.309140860e+02 2.185441013e+02 2.493301384e+02 2.510993518e+02 7.020232938e+01 1.293701469e+02 2.224380279e+02 7.916160203e+01 1.325036493e+02 1.44 2.291580695e+02 1.200531634e+02 2.003661197e+02 2.307283715e+02 2.322986770e+02 6.372166583e+01 1.194011159e+02 2.061080099e+02 7.249197106e+01 1.217791687e+02 1.46 2.123559506e+02 1.098198078e+02 1.824910982e+02 2.133388006e+02 2.143216549e+02 5.710907946e+01 1.100858410e+02 1.913912337e+02 6.616407460e+01 1.119976149e+02 1.48 1.972039208e+02 9.981236243e+01 1.657048479e+02 1.973776269e+02 1.975513378e+02 5.072458838e+01 1.013810434e+02 1.779281934e+02 6.026368921e+01 1.031735334e+02 1.50 1.836236365e+02 9.032536716e+01 1.506068379e+02 1.829399641e+02 1.822562968e+02 4.487749427e+01 9.335088185e+01 1.655280023e+02 5.486387045e+01 9.525704845e+01 1.52 1.711820458e+02 8.123805470e+01 1.373750833e+02 1.698081643e+02 1.684342880e+02 3.978462859e+01 8.602264451e+01 1.536659072e+02 4.990747927e+01 8.801957736e+01 1.54 1.595200678e+02 7.260159816e+01 1.260101628e+02 1.577630206e+02 1.560059783e+02 3.555033401e+01 7.938392458e+01 1.421167354e+02 4.530814022e+01 8.127166049e+01 1.56 1.485882100e+02 6.474188146e+01 1.164949071e+02 1.467604903e+02 1.449327751e+02 3.216733289e+01 7.338271309e+01 1.306441774e+02 4.109971661e+01 7.498181802e+01 1.58 1.374496087e+02 5.781083972e+01 1.084095582e+02 1.358778606e+02 1.343061161e+02 2.942736293e+01 6.784087184e+01 1.189265986e+02 3.722297197e+01 6.880106826e+01 1.60 1.257250498e+02 5.187348481e+01 1.008777547e+02 1.245656954e+02 1.234063433e+02 2.689435603e+01 6.267266228e+01 1.074753827e+02 3.369507643e+01 6.258193771e+01 1.62 1.139540731e+02 4.678659870e+01 9.381028625e+01 1.132773397e+02 1.126006075e+02 2.452681980e+01 5.785375987e+01 9.676312873e+01 3.051022732e+01 5.650750389e+01 1.64 1.026647469e+02 4.225744353e+01 8.717978997e+01 1.024712816e+02 1.022778165e+02 2.231429545e+01 5.336140271e+01 8.715293505e+01 2.767243509e+01 5.075724513e+01 1.66 9.230424366e+01 3.829191651e+01 8.092062848e+01 9.253186355e+01 9.275948342e+01 2.021068163e+01 4.912216206e+01 7.886376295e+01 2.516227467e+01 4.548181650e+01 1.68 8.318999232e+01 3.479483603e+01 7.453573079e+01 8.369374639e+01 8.419750030e+01 1.777204655e+01 4.496723165e+01 7.186990651e+01 2.272732120e+01 4.078515744e+01 1.70 7.548491421e+01 3.160174020e+01 6.803387031e+01 7.609877898e+01 7.671264355e+01 1.501158892e+01 4.093708929e+01 6.595729843e+01 2.021485559e+01 3.671540316e+01 1.72 6.919676074e+01 2.869735549e+01 6.162490274e+01 6.977006225e+01 7.034336356e+01 1.212955457e+01 3.709470950e+01 6.101284522e+01 1.770292555e+01 3.326477401e+01 1.74 6.413268358e+01 2.605704551e+01 5.551292208e+01 6.455487795e+01 6.497707213e+01 9.324903487e+00 3.349914195e+01 5.652579086e+01 1.528554533e+01 3.035401285e+01 1.76 5.953307793e+01 2.361352202e+01 4.987160967e+01 5.980213960e+01 6.007120112e+01 6.771801134e+00 3.019740674e+01 5.232033628e+01 1.304880547e+01 2.770413357e+01 1.78 5.521665169e+01 2.134281082e+01 4.482658668e+01 5.536266476e+01 5.550867773e+01 4.602067341e+00 2.721898095e+01 4.837983892e+01 1.106078184e+01 2.524350475e+01 1.80 5.116696376e+01 1.923391467e+01 4.044592272e+01 5.122674313e+01 5.128652247e+01 2.894898266e+00 2.457321695e+01 4.468860846e+01 9.364596961e+00 2.295958964e+01 1.82 4.736849165e+01 1.727650146e+01 3.673880522e+01 4.738062708e+01 4.739276251e+01 1.674140920e+00 2.224962683e+01 4.119196592e+01 7.927588496e+00 2.084060988e+01 1.84 4.380658251e+01 1.546086503e+01 3.365754539e+01 4.380666264e+01 4.380674278e+01 9.088062427e-01 2.020511670e+01 3.785032353e+01 6.588962904e+00 1.887550339e+01 1.86 4.046740681e+01 1.377788835e+01 3.090816341e+01 4.046748362e+01 4.046756044e+01 3.302817555e-01 1.824069040e+01 3.467390633e+01 5.272304727e+00 1.705388505e+01 1.88 3.733791440e+01 1.221900876e+01 2.833502976e+01 3.733798793e+01 3.733806146e+01 -2.020472223e-01 1.615749973e+01 3.167433398e+01 3.930404979e+00 1.536600994e+01 1.90 3.440579280e+01 1.077618527e+01 2.592786518e+01 3.440586310e+01 3.440593340e+01 -6.910357895e-01 1.400977126e+01 2.886228088e+01 2.622817621e+00 1.380273892e+01 1.92 3.163029737e+01 9.441867729e+00 2.367696281e+01 3.163036441e+01 3.163043144e+01 -1.139379787e+00 1.186994635e+01 2.622680711e+01 1.406370508e+00 1.230639910e+01 1.94 2.887025875e+01 8.208967812e+00 2.157315707e+01 2.887032199e+01 2.887038522e+01 -1.549624226e+00 9.810455210e+00 2.368787724e+01 3.304197198e-01 1.065014559e+01 1.96 2.614419682e+01 7.070831666e+00 1.960779424e+01 2.614425568e+01 2.614431453e+01 -1.924171274e+00 7.897901266e+00 2.126319293e+01 -5.674292208e-01 8.876587011e+00 1.98 2.349721432e+01 6.021214156e+00 1.777270462e+01 2.349726835e+01 2.349732237e+01 -2.265287845e+00 6.188077454e+00 1.898190855e+01 -1.264988133e+00 7.071832301e+00 2.00 2.097349216e+01 5.054254613e+00 1.606017619e+01 2.097354113e+01 2.097359009e+01 -2.575112786e+00 4.721752319e+00 1.686737527e+01 -1.757906858e+00 5.318641991e+00 2.02 1.861208845e+01 4.164453986e+00 1.446292967e+01 1.861213244e+01 1.861217642e+01 -2.855663702e+00 3.521342889e+00 1.491512422e+01 -2.085768798e+00 3.689484781e+00 2.04 1.644373574e+01 3.346653329e+00 1.297409489e+01 1.644377514e+01 1.644381454e+01 -3.108843427e+00 2.588976019e+00 1.311940405e+01 -2.370368115e+00 2.241760730e+00 2.06 1.448876659e+01 2.596013538e+00 1.158718850e+01 1.448880208e+01 1.448883757e+01 -3.336446162e+00 1.887003391e+00 1.149100823e+01 -2.626132949e+00 1.015155218e+00 2.08 1.275618668e+01 1.907996275e+00 1.029609280e+01 1.275621909e+01 1.275625150e+01 -3.540163291e+00 1.264520522e+00 1.003354363e+01 -2.855071306e+00 3.084166348e-02 2.10 1.124381858e+01 1.278346001e+00 9.095035774e+00 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