# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1998--Justo-J-F-Bazant-M-Z-Kaxiras-E-et-al--Si # implementation = EDIP_JustoBazantKaxiras_1998_Si__MO_958932894036_002 # 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 nan nan nan nan nan 0.58 nan nan nan nan nan 1.088074717e+03 nan nan nan nan 0.60 nan nan nan nan nan 9.806929927e+02 nan nan 1.130124751e+03 nan 0.62 nan nan nan nan nan 8.878689039e+02 nan nan 1.019028065e+03 nan 0.64 nan nan nan nan nan 8.040876264e+02 nan nan 9.223627110e+02 nan 0.66 nan 1.132099938e+03 nan nan nan 7.257940696e+02 1.153633252e+03 nan 8.379006016e+02 1.132885412e+03 0.68 nan 1.032264106e+03 nan nan nan 6.559115866e+02 1.050064156e+03 nan 7.651781243e+02 1.031211500e+03 0.70 nan 9.446145580e+02 nan nan nan 5.993476623e+02 9.576046439e+02 nan 7.018940300e+02 9.410611964e+02 0.72 nan 8.646103007e+02 1.131926585e+03 nan nan 5.521554134e+02 8.741910096e+02 nan 6.435237570e+02 8.631316114e+02 0.74 1.139424393e+03 7.939351570e+02 1.043832761e+03 1.136982467e+03 1.135805040e+03 5.100033927e+02 8.017573961e+02 1.073106997e+03 5.896874295e+02 7.963436992e+02 0.76 1.049725180e+03 7.301442857e+02 9.630061775e+02 1.047095934e+03 1.045361260e+03 4.713564241e+02 7.403343340e+02 9.875791664e+02 5.412986756e+02 7.349829969e+02 0.78 9.675936420e+02 6.736911067e+02 8.868190014e+02 9.664357638e+02 9.655752157e+02 4.345132263e+02 6.853437186e+02 9.088432413e+02 4.981214150e+02 6.761337788e+02 0.80 8.927374434e+02 6.215358906e+02 8.180419538e+02 8.938107537e+02 8.941317157e+02 4.000799518e+02 6.335936491e+02 8.375125825e+02 4.586057665e+02 6.221848435e+02 0.82 8.227537451e+02 5.739362380e+02 7.555090946e+02 8.265431495e+02 8.279223392e+02 3.691174831e+02 5.859811579e+02 7.735748547e+02 4.230413157e+02 5.761876908e+02 0.84 7.619741301e+02 5.327224611e+02 6.978305155e+02 7.653071832e+02 7.669607173e+02 3.417055183e+02 5.425742563e+02 7.178655140e+02 3.907924335e+02 5.352057566e+02 0.86 7.100704313e+02 4.947937570e+02 6.452432513e+02 7.102198179e+02 7.113556876e+02 3.162412281e+02 5.035202560e+02 6.683515484e+02 3.621780712e+02 4.973581383e+02 0.88 6.624371299e+02 4.598488556e+02 6.008501886e+02 6.606253231e+02 6.609268250e+02 2.931374295e+02 4.689733986e+02 6.229257503e+02 3.367475002e+02 4.614147930e+02 0.90 6.182548040e+02 4.290353778e+02 5.641103854e+02 6.161065916e+02 6.156794095e+02 2.731378500e+02 4.373515128e+02 5.814015673e+02 3.142811470e+02 4.278495360e+02 0.92 5.774788350e+02 4.014161510e+02 5.297659439e+02 5.754862589e+02 5.742459076e+02 2.547423446e+02 4.066864421e+02 5.430710334e+02 2.937908124e+02 3.975657560e+02 0.94 5.395353237e+02 3.748249845e+02 4.969115582e+02 5.382119403e+02 5.363287880e+02 2.376345391e+02 3.777002286e+02 5.072279571e+02 2.754693871e+02 3.700315318e+02 0.96 5.045567851e+02 3.493750335e+02 4.648859552e+02 5.043383623e+02 5.025074164e+02 2.210393268e+02 3.512261447e+02 4.745627927e+02 2.589940747e+02 3.453650471e+02 0.98 4.724864078e+02 3.261397548e+02 4.340598773e+02 4.733342230e+02 4.725323195e+02 2.050211277e+02 3.274490831e+02 4.447586472e+02 2.433850209e+02 3.234273731e+02 1.00 4.431543479e+02 3.055122736e+02 4.056501801e+02 4.445032654e+02 4.448969778e+02 1.902482763e+02 3.063442632e+02 4.173184025e+02 2.283382254e+02 3.038835624e+02 1.02 4.171697320e+02 2.863149497e+02 3.804541142e+02 4.178203623e+02 4.188643515e+02 1.772463552e+02 2.875711040e+02 3.919618837e+02 2.140957980e+02 2.872956229e+02 1.04 3.925193214e+02 2.679157370e+02 3.570127334e+02 3.926651639e+02 3.940821210e+02 1.655300231e+02 2.712295395e+02 3.674462641e+02 2.005980396e+02 2.720905720e+02 1.06 3.684237949e+02 2.506789811e+02 3.351317784e+02 3.688685231e+02 3.704454863e+02 1.553806698e+02 2.569847271e+02 3.437431853e+02 1.876783969e+02 2.577357445e+02 1.08 3.452220092e+02 2.352698613e+02 3.152463617e+02 3.460577662e+02 3.475037044e+02 1.472093797e+02 2.440146038e+02 3.215901527e+02 1.751505532e+02 2.443968957e+02 1.10 3.231630688e+02 2.218313326e+02 2.962843321e+02 3.242803258e+02 3.254040955e+02 1.398404111e+02 2.315347034e+02 3.018126381e+02 1.632764320e+02 2.314550318e+02 1.12 3.030656347e+02 2.105191510e+02 2.777786971e+02 3.042834096e+02 3.049113375e+02 1.325662664e+02 2.194931292e+02 2.849197249e+02 1.525710835e+02 2.185304289e+02 1.14 2.862144836e+02 2.006502092e+02 2.602450715e+02 2.868682382e+02 2.867690242e+02 1.254350281e+02 2.078022408e+02 2.704746073e+02 1.432475522e+02 2.056313453e+02 1.16 2.725197175e+02 1.910848152e+02 2.445533774e+02 2.719250712e+02 2.710367968e+02 1.185783549e+02 1.965360593e+02 2.572958684e+02 1.348212630e+02 1.928295675e+02 1.18 2.596714932e+02 1.815499259e+02 2.315394553e+02 2.582068575e+02 2.568688817e+02 1.122224187e+02 1.859328634e+02 2.445310457e+02 1.269366433e+02 1.802959460e+02 1.20 2.470836236e+02 1.720508698e+02 2.209008829e+02 2.453101680e+02 2.437653395e+02 1.066373181e+02 1.760258675e+02 2.322686987e+02 1.194497345e+02 1.683590274e+02 1.22 2.349118130e+02 1.626245415e+02 2.117304353e+02 2.331756037e+02 2.315300553e+02 1.017732826e+02 1.664593284e+02 2.206335032e+02 1.124250480e+02 1.575256307e+02 1.24 2.232931374e+02 1.533600626e+02 2.029556816e+02 2.217218526e+02 2.201576586e+02 9.711388833e+01 1.569393836e+02 2.094312759e+02 1.061205880e+02 1.482021305e+02 1.26 2.120776580e+02 1.444283851e+02 1.943349470e+02 2.108855384e+02 2.096934193e+02 9.254820706e+01 1.474957926e+02 1.986144333e+02 1.005967166e+02 1.398703560e+02 1.28 2.010783338e+02 1.360996082e+02 1.859364461e+02 2.005796403e+02 2.000809468e+02 8.815199088e+01 1.382475535e+02 1.883926011e+02 9.562135563e+01 1.317932275e+02 1.30 1.904448946e+02 1.286614109e+02 1.778549000e+02 1.907299576e+02 1.910150207e+02 8.406434925e+01 1.293885635e+02 1.788573089e+02 9.105525250e+01 1.240698569e+02 1.32 1.804772273e+02 1.221907861e+02 1.701159569e+02 1.813997531e+02 1.823222788e+02 8.038363246e+01 1.211318857e+02 1.699257543e+02 8.680384403e+01 1.169991986e+02 1.34 1.715749607e+02 1.165206440e+02 1.625272885e+02 1.728759229e+02 1.741768850e+02 7.690539878e+01 1.135171309e+02 1.617667178e+02 8.276936695e+01 1.109608409e+02 1.36 1.639531820e+02 1.112739072e+02 1.549357555e+02 1.653159554e+02 1.666787288e+02 7.343575342e+01 1.065515894e+02 1.544408211e+02 7.911905245e+01 1.061932828e+02 1.38 1.570626842e+02 1.062035779e+02 1.473277416e+02 1.583046335e+02 1.595465829e+02 6.994872475e+01 1.004454802e+02 1.475181556e+02 7.594856515e+01 1.021936362e+02 1.40 1.502704099e+02 1.011489925e+02 1.397065433e+02 1.513647156e+02 1.524590212e+02 6.642849653e+01 9.516834901e+01 1.407073205e+02 7.299261628e+01 9.828562054e+01 1.42 1.435351372e+02 9.610268083e+01 1.320908402e+02 1.444642638e+02 1.453933905e+02 6.285803021e+01 9.045479195e+01 1.340531633e+02 7.002779185e+01 9.440264869e+01 1.44 1.369006456e+02 9.108528180e+01 1.245238215e+02 1.376374242e+02 1.383742028e+02 5.921374160e+01 8.632797862e+01 1.276620399e+02 6.703093230e+01 9.055389359e+01 1.46 1.304445882e+02 8.613481971e+01 1.170859885e+02 1.309475132e+02 1.314504381e+02 5.545576877e+01 8.291991035e+01 1.216592181e+02 6.398583847e+01 8.676598350e+01 1.48 1.242861854e+02 8.130789864e+01 1.099087895e+02 1.244950065e+02 1.247038276e+02 5.151251032e+01 7.977974333e+01 1.160867986e+02 6.087624825e+01 8.310461925e+01 1.50 1.185668666e+02 7.666391591e+01 1.031727429e+02 1.184062741e+02 1.182456817e+02 4.726879991e+01 7.662701123e+01 1.107931300e+02 5.769398726e+01 7.969222565e+01 1.52 1.133412115e+02 7.219926941e+01 9.704034106e+01 1.127560431e+02 1.121708747e+02 4.260695997e+01 7.348822591e+01 1.056623816e+02 5.445597933e+01 7.662671762e+01 1.54 1.083933714e+02 6.769839825e+01 9.151266216e+01 1.074335168e+02 1.064736622e+02 3.760768730e+01 7.046225312e+01 1.006197994e+02 5.123367652e+01 7.377551464e+01 1.56 1.034654181e+02 6.272847651e+01 8.656524285e+01 1.023099842e+02 1.011545503e+02 3.289274687e+01 6.771349100e+01 9.559069148e+01 4.816103366e+01 7.092585308e+01 1.58 9.852689626e+01 5.691494995e+01 8.249838553e+01 9.741037799e+01 9.629385971e+01 2.950054306e+01 6.534121040e+01 9.058536903e+01 4.532020801e+01 6.803376467e+01 1.60 9.358860091e+01 5.054189118e+01 7.942955179e+01 9.269636474e+01 9.180412857e+01 2.757459076e+01 6.316825918e+01 8.563671429e+01 4.259277989e+01 6.507834162e+01 1.62 8.867086218e+01 4.495069031e+01 7.665241837e+01 8.804680779e+01 8.742275341e+01 2.596742807e+01 6.099987646e+01 8.077402640e+01 3.988857844e+01 6.203101801e+01 1.64 8.380069571e+01 4.076578923e+01 7.385025978e+01 8.343155007e+01 8.306240444e+01 2.418376300e+01 5.880496328e+01 7.596339100e+01 3.718229800e+01 5.885388525e+01 1.66 7.898415324e+01 3.713095613e+01 7.099762445e+01 7.884547166e+01 7.870679008e+01 2.215724355e+01 5.656981225e+01 7.102370710e+01 3.452916327e+01 5.550574862e+01 1.68 7.410735181e+01 3.413624176e+01 6.806696688e+01 7.418817992e+01 7.426900803e+01 1.983455081e+01 5.428126669e+01 6.578466931e+01 3.203487945e+01 5.197076903e+01 1.70 6.881325393e+01 3.194821366e+01 6.501460419e+01 6.919215748e+01 6.957106103e+01 1.717051128e+01 5.192693484e+01 6.053598544e+01 2.969314390e+01 4.832949447e+01 1.72 6.290965838e+01 3.013818781e+01 6.176877751e+01 6.375769329e+01 6.460572819e+01 1.414639798e+01 4.949656970e+01 5.606001125e+01 2.729290567e+01 4.485694751e+01 1.74 5.754814473e+01 2.863988538e+01 5.821655112e+01 5.881150371e+01 6.007486269e+01 1.081391756e+01 4.698584250e+01 5.324958385e+01 2.469531240e+01 4.200336382e+01 1.76 5.441256249e+01 2.750782216e+01 5.420469456e+01 5.565832497e+01 5.690408744e+01 7.367792161e+00 4.440387666e+01 5.158125510e+01 2.187825763e+01 4.001163038e+01 1.78 5.278021235e+01 2.657272849e+01 4.959615279e+01 5.371517519e+01 5.465013803e+01 4.204370313e+00 4.177416772e+01 5.003972557e+01 1.886800504e+01 3.848441310e+01 1.80 5.131359267e+01 2.567319925e+01 4.444137379e+01 5.191719334e+01 5.252079401e+01 1.774535681e+00 3.914667045e+01 4.847526202e+01 1.576847916e+01 3.700590075e+01 1.82 4.986228990e+01 2.479147645e+01 3.923540469e+01 5.017619017e+01 5.049009044e+01 1.629455082e-02 3.661891007e+01 4.687776091e+01 1.278540668e+01 3.553026229e+01 1.84 4.841167861e+01 2.392676362e+01 3.495062354e+01 4.852150732e+01 4.863133603e+01 -1.527230678e+00 3.430636879e+01 4.523034975e+01 1.018842413e+01 3.403473317e+01 1.86 4.693426290e+01 2.307830645e+01 3.238788430e+01 4.695066570e+01 4.696706850e+01 -2.307471465e+00 3.221956840e+01 4.350856658e+01 8.149633910e+00 3.247708210e+01 1.88 4.540354991e+01 2.224537803e+01 3.116968725e+01 4.540375903e+01 4.540396816e+01 -2.543076623e+00 3.014806997e+01 4.168977373e+01 6.513435805e+00 3.081860334e+01 1.90 4.379419506e+01 2.142727751e+01 3.025134544e+01 4.379419508e+01 4.379419510e+01 -2.717962373e+00 2.789020974e+01 3.975463375e+01 4.918649368e+00 2.902298102e+01 1.92 4.208114529e+01 2.062332922e+01 2.935362155e+01 4.208114532e+01 4.208114534e+01 -2.884381070e+00 2.539533649e+01 3.768974736e+01 3.288126877e+00 2.705316362e+01 1.94 4.023884230e+01 1.983288189e+01 2.847209322e+01 4.023884235e+01 4.023884239e+01 -3.042976472e+00 2.264295041e+01 3.549296638e+01 1.704331251e+00 2.486854613e+01 1.96 3.824098267e+01 1.905530843e+01 2.760606543e+01 3.824098275e+01 3.824098283e+01 -3.193853643e+00 1.964188548e+01 3.318181426e+01 2.649776913e-01 2.242420731e+01 1.98 3.606168072e+01 1.829000595e+01 2.675486604e+01 3.606168089e+01 3.606168105e+01 -3.337105719e+00 1.645953433e+01 3.080261317e+01 -9.381626123e-01 1.967541542e+01 2.00 3.367940109e+01 1.753639654e+01 2.591784467e+01 3.367940145e+01 3.367940181e+01 -3.472814093e+00 1.325431594e+01 2.843031042e+01 -1.835219089e+00 1.659271073e+01 2.02 3.108559335e+01 1.679392852e+01 2.509437165e+01 3.108559422e+01 3.108559509e+01 -3.601048556e+00 1.028581823e+01 2.613773892e+01 -2.401821632e+00 1.319392775e+01 2.04 2.830001024e+01 1.606207870e+01 2.428383726e+01 2.830001250e+01 2.830001475e+01 -3.721867404e+00 7.862527158e+00 2.392718283e+01 -2.689995147e+00 9.594218851e+00 2.06 2.539279862e+01 1.534035569e+01 2.348565111e+01 2.539280463e+01 2.539281064e+01 -3.835317503e+00 6.212620962e+00 2.173497525e+01 -2.836177726e+00 6.051859241e+00 2.08 2.250726790e+01 1.462830456e+01 2.269924184e+01 2.250728336e+01 2.250729882e+01 -3.941434326e+00 5.319682125e+00 1.959696055e+01 -2.949688373e+00 2.932380172e+00 2.10 1.986538807e+01 1.392518774e+01 2.192405709e+01 1.986542317e+01 1.986545827e+01 -4.040241947e+00 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