# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1994--Tersoff-J--Si-C # implementation = 1994--Tersoff-J--Si-C--LAMMPS--ipr1 # composition = C # 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 1.734425988e+03 nan nan 2.041819162e+03 nan 0.52 nan nan nan nan nan 1.507424652e+03 nan nan 1.769929166e+03 nan 0.54 nan 2.174909246e+03 nan nan nan 1.311197709e+03 2.216908950e+03 nan 1.538559711e+03 2.181710514e+03 0.56 nan 1.902443310e+03 nan nan nan 1.140827753e+03 1.941926336e+03 nan 1.339115008e+03 1.913272576e+03 0.58 nan 1.670948549e+03 2.289201288e+03 nan nan 9.952178181e+02 1.708306203e+03 2.368517651e+03 1.167784271e+03 1.685772844e+03 0.60 2.253321014e+03 1.473299701e+03 2.024393293e+03 2.250911497e+03 2.252780695e+03 8.717759282e+02 1.508510931e+03 2.099033300e+03 1.021222046e+03 1.485951598e+03 0.62 2.002661082e+03 1.301683060e+03 1.804003832e+03 1.998681071e+03 1.997432611e+03 7.679420460e+02 1.334441732e+03 1.862958949e+03 8.973761793e+02 1.308618714e+03 0.64 1.781434941e+03 1.153327875e+03 1.609150101e+03 1.779375818e+03 1.775957067e+03 6.777422205e+02 1.177653295e+03 1.656925514e+03 7.914936973e+02 1.153136397e+03 0.66 1.588666772e+03 1.022185811e+03 1.433344498e+03 1.588610599e+03 1.585240501e+03 5.954392281e+02 1.037769488e+03 1.478951840e+03 7.013331599e+02 1.017752871e+03 0.68 1.423504219e+03 9.063923588e+02 1.276730753e+03 1.423855818e+03 1.422715080e+03 5.201302773e+02 9.165157916e+02 1.323596383e+03 6.230235527e+02 9.021972765e+02 0.70 1.277330776e+03 8.023667802e+02 1.142328141e+03 1.277221365e+03 1.278465560e+03 4.551545151e+02 8.133805392e+02 1.182474942e+03 5.521516378e+02 8.049648033e+02 0.72 1.142855589e+03 7.089485447e+02 1.024175740e+03 1.143727574e+03 1.146474866e+03 4.010278146e+02 7.263761021e+02 1.054140639e+03 4.879282938e+02 7.227824813e+02 0.74 1.020328466e+03 6.280113950e+02 9.152721356e+02 1.022948427e+03 1.026161567e+03 3.553613746e+02 6.510293599e+02 9.394390601e+02 4.304541498e+02 6.512802870e+02 0.76 9.114155498e+02 5.606218003e+02 8.156837155e+02 9.147248994e+02 9.175800777e+02 3.160904998e+02 5.838941014e+02 8.402810731e+02 3.792940836e+02 5.853138686e+02 0.78 8.177782666e+02 5.049441483e+02 7.256934603e+02 8.200647739e+02 8.213455793e+02 2.802748480e+02 5.242897109e+02 7.565652310e+02 3.344818373e+02 5.231848575e+02 0.80 7.405874647e+02 4.551868713e+02 6.473072857e+02 7.395014730e+02 7.381631561e+02 2.479905215e+02 4.713262252e+02 6.839417279e+02 2.951248053e+02 4.663836869e+02 0.82 6.718788309e+02 4.077316673e+02 5.820989522e+02 6.684418308e+02 6.652973149e+02 2.195370304e+02 4.241660615e+02 6.177235793e+02 2.598753054e+02 4.149121483e+02 0.84 6.070466455e+02 3.628966738e+02 5.274927353e+02 6.033222957e+02 5.997183924e+02 1.955503518e+02 3.813491600e+02 5.566693295e+02 2.279119283e+02 3.673547756e+02 0.86 5.472601864e+02 3.218322168e+02 4.791352236e+02 5.442761109e+02 5.412921789e+02 1.745622575e+02 3.408073877e+02 5.011698227e+02 1.999330899e+02 3.253498538e+02 0.88 4.928466016e+02 2.855606485e+02 4.357193441e+02 4.913794710e+02 4.899122463e+02 1.561145650e+02 3.021787604e+02 4.514085523e+02 1.762626338e+02 2.877958493e+02 0.90 4.442657462e+02 2.549147502e+02 3.970218663e+02 4.445347743e+02 4.448034492e+02 1.402982810e+02 2.658465511e+02 4.070467429e+02 1.561262883e+02 2.542573434e+02 0.92 4.013339946e+02 2.292043872e+02 3.619837162e+02 4.029075588e+02 4.044806121e+02 1.268448782e+02 2.330134650e+02 3.672646225e+02 1.389815514e+02 2.254160528e+02 0.94 3.637877880e+02 2.065735514e+02 3.293370305e+02 3.661717854e+02 3.685553009e+02 1.148069539e+02 2.039842555e+02 3.320999259e+02 1.243804013e+02 2.018955989e+02 0.96 3.301290400e+02 1.859982885e+02 2.976987494e+02 3.327267178e+02 3.353240496e+02 1.032581988e+02 1.792625576e+02 3.004694898e+02 1.116899048e+02 1.818077702e+02 0.98 2.991196554e+02 1.666435453e+02 2.664064022e+02 3.013802063e+02 3.036405711e+02 9.172893877e+01 1.586553109e+02 2.719014054e+02 9.995677213e+01 1.633333445e+02 1.00 2.710658094e+02 1.480132609e+02 2.364317019e+02 2.725595670e+02 2.740533037e+02 8.057309641e+01 1.415143581e+02 2.466012084e+02 8.910375961e+01 1.466502407e+02 1.02 2.461812505e+02 1.301689604e+02 2.085618179e+02 2.466094079e+02 2.470376923e+02 7.008719427e+01 1.270460933e+02 2.240925584e+02 7.906365703e+01 1.318972924e+02 1.04 2.245224204e+02 1.132956506e+02 1.835351178e+02 2.237496932e+02 2.229771985e+02 6.054087471e+01 1.140040050e+02 2.032642303e+02 6.977815686e+01 1.191228039e+02 1.06 2.044602691e+02 9.765736999e+01 1.621194593e+02 2.027502205e+02 2.010404437e+02 5.224167241e+01 1.024370100e+02 1.827188732e+02 6.138988714e+01 1.076779732e+02 1.08 1.842309688e+02 8.308177205e+01 1.444723136e+02 1.822720148e+02 1.803133299e+02 4.554351057e+01 9.235526568e+01 1.625452487e+02 5.401130839e+01 9.663343132e+01 1.10 1.642513409e+02 7.009792512e+01 1.310146651e+02 1.627374944e+02 1.612238687e+02 4.065825786e+01 8.359668483e+01 1.431725697e+02 4.762042095e+01 8.606455894e+01 1.12 1.449844104e+02 5.958470840e+01 1.192175826e+02 1.441500267e+02 1.433157963e+02 3.631919452e+01 7.544492657e+01 1.250047497e+02 4.188405821e+01 7.613525519e+01 1.14 1.267986462e+02 5.144759008e+01 1.073409551e+02 1.265881135e+02 1.263776785e+02 3.161246518e+01 6.771110376e+01 1.085057716e+02 3.648724990e+01 6.700315728e+01 1.16 1.100965880e+02 4.470999530e+01 9.561513616e+01 1.104352491e+02 1.107739904e+02 2.670220999e+01 6.044786712e+01 9.437788544e+01 3.153031341e+01 5.882821742e+01 1.18 9.552286047e+01 3.928074278e+01 8.424957472e+01 9.625969330e+01 9.699663302e+01 2.166803709e+01 5.370692413e+01 8.317809127e+01 2.706946438e+01 5.176570204e+01 1.20 8.400925387e+01 3.457856902e+01 7.343670225e+01 8.484367286e+01 8.567822047e+01 1.647759090e+01 4.753669636e+01 7.470264945e+01 2.297888258e+01 4.592453027e+01 1.22 7.601781096e+01 3.056067023e+01 6.339247495e+01 7.657812540e+01 7.713852901e+01 1.101182796e+01 4.198078175e+01 6.781320199e+01 1.920078323e+01 4.124894089e+01 1.24 6.923935742e+01 2.697022700e+01 5.440876572e+01 6.951336488e+01 6.978741663e+01 5.234550065e+00 3.701345075e+01 6.132916549e+01 1.556769537e+01 3.712303816e+01 1.26 6.300651140e+01 2.371711336e+01 4.686100756e+01 6.309224688e+01 6.317799644e+01 -3.107890878e-01 3.231325905e+01 5.525711648e+01 1.216609494e+01 3.336612024e+01 1.28 5.724720146e+01 2.077234108e+01 4.108833662e+01 5.725095156e+01 5.725470238e+01 -3.905400063e+00 2.791916895e+01 4.958721045e+01 9.105044307e+00 2.990485972e+01 1.30 5.161851304e+01 1.810930552e+01 3.682276057e+01 5.161795663e+01 5.161740023e+01 -4.705433644e+00 2.378581665e+01 4.412808947e+01 6.435493388e+00 2.629788788e+01 1.32 4.608744749e+01 1.570359421e+01 3.298005799e+01 4.608705816e+01 4.608666884e+01 -5.240573392e+00 1.982640445e+01 3.888017980e+01 3.896078053e+00 2.254504303e+01 1.34 4.071891177e+01 1.353281067e+01 2.946669266e+01 4.071874492e+01 4.071857807e+01 -5.701553070e+00 1.610339567e+01 3.390823079e+01 1.512606733e+00 1.876326297e+01 1.36 3.557427611e+01 1.157641215e+01 2.625664649e+01 3.557437845e+01 3.557448079e+01 -6.095066178e+00 1.268159596e+01 2.927791066e+01 -5.933690283e-01 1.503117236e+01 1.38 3.071556529e+01 9.815560247e+00 2.332587516e+01 3.071597184e+01 3.071637840e+01 -6.427280135e+00 9.646110263e+00 2.505686347e+01 -2.233392303e+00 1.138601775e+01 1.40 2.621167098e+01 8.232983402e+00 2.065216159e+01 2.621239844e+01 2.621312590e+01 -6.703875016e+00 7.111415561e+00 2.131173107e+01 -3.211602154e+00 7.838016870e+00 1.42 2.214258784e+01 6.812850310e+00 1.821498016e+01 2.214362429e+01 2.214466074e+01 -6.930079539e+00 5.197717901e+00 1.801937613e+01 -3.624696211e+00 4.416294152e+00 1.44 1.859556782e+01 5.540653395e+00 1.599537086e+01 1.859686198e+01 1.859815613e+01 -7.110704489e+00 3.950724486e+00 1.514514828e+01 -3.953996748e+00 1.257787425e+00 1.46 1.564784263e+01 4.403101561e+00 1.397582277e+01 1.564929947e+01 1.565075631e+01 -7.250173758e+00 2.919402813e+00 1.272185141e+01 -4.231610954e+00 -1.299135288e+00 1.48 1.333768543e+01 3.368691769e+00 1.214016603e+01 1.333917664e+01 1.334066785e+01 -7.352553174e+00 1.888594058e+00 1.075696020e+01 -4.470928000e+00 -2.781474172e+00 1.50 1.152249205e+01 2.335682869e+00 1.047347176e+01 1.152392005e+01 1.152534804e+01 -7.421577259e+00 8.721081015e-01 9.151304667e+00 -4.683372366e+00 -3.293922476e+00 1.52 9.882064227e+00 1.321288717e+00 8.961959427e+00 9.883427845e+00 9.884791463e+00 -7.460674084e+00 -1.217379047e-01 7.702412968e+00 -4.859900616e+00 -3.705926900e+00 1.54 8.390647615e+00 3.566081571e-01 7.592910907e+00 8.391949761e+00 8.393251906e+00 -7.472988320e+00 -1.087013201e+00 6.390268937e+00 -4.993500333e+00 -4.061827913e+00 1.56 7.036498798e+00 -5.352713788e-01 6.354331655e+00 7.037742243e+00 7.038985688e+00 -7.461402653e+00 -2.016062964e+00 5.203799246e+00 -5.080630089e+00 -4.366667647e+00 1.58 5.808740289e+00 -1.340825681e+00 5.156934068e+00 5.809927679e+00 5.811115069e+00 -7.428557635e+00 -2.894924122e+00 4.132766422e+00 -5.121738103e+00 -4.625092671e+00 1.60 4.697298954e+00 -2.055724583e+00 3.955827216e+00 4.698432817e+00 4.699566679e+00 -7.376870119e+00 -3.699403136e+00 3.167708099e+00 -5.121176697e+00 -4.841383081e+00 1.62 3.692848737e+00 -2.685173800e+00 2.777200963e+00 3.693931485e+00 3.695014232e+00 -7.308550345e+00 -4.393871967e+00 2.299880603e+00 -5.086508030e+00 -5.019479542e+00 1.64 2.786757356e+00 -3.229522314e+00 1.641766918e+00 2.787791293e+00 2.788825230e+00 -7.225617798e+00 -4.935507122e+00 1.521206531e+00 -5.027281935e+00 -5.163008393e+00 1.66 1.971036729e+00 -3.637825896e+00 5.648206771e-01 1.972024055e+00 1.973011382e+00 -7.129915904e+00 -5.285650208e+00 8.242260782e-01 -4.953477967e+00 -5.275304973e+00 1.68 1.238296851e+00 -3.861420477e+00 -4.425575152e-01 1.239239669e+00 1.240182486e+00 -7.023125665e+00 -5.425759368e+00 2.020518305e-01 -4.873930731e+00 -5.359435272e+00 1.70 5.817029036e-01 -3.878159527e+00 -1.371160863e+00 5.826032188e-01 5.835035340e-01 -6.906778287e+00 -5.451621775e+00 -3.516732193e-01 -4.795148644e+00 -5.418216046e+00 1.72 -5.064645735e-03 -3.715518150e+00 -2.210517039e+00 -4.204916983e-03 -3.345188231e-03 -6.782266894e+00 -5.454264587e+00 -8.428146508e-01 -4.718391652e+00 -5.454233486e+00 1.74 -5.278471423e-01 -3.468646062e+00 -2.945888664e+00 -5.270261704e-01 -5.262051984e-01 -6.650857373e+00 -5.430894766e+00 -1.276782808e+00 -4.636437961e+00 -5.469860545e+00 1.76 -9.920422448e-01 -3.173216802e+00 -3.557077180e+00 -9.912582825e-01 -9.904743202e-01 -6.513698423e+00 -5.380414236e+00 -1.678370795e+00 -4.549423710e+00 -5.467273024e+00 1.78 -1.402636003e+00 -2.845736205e+00 -4.021025612e+00 -1.401887382e+00 -1.401138761e+00 -6.371830870e+00 -5.302934583e+00 -2.096305692e+00 -4.458163260e+00 -5.448464498e+00 1.80 -1.764232682e+00 -2.507462808e+00 -4.319149001e+00 -1.763517809e+00 -1.762802936e+00 -6.226196279e+00 -5.199970907e+00 -2.506661070e+00 -4.363395007e+00 -5.415260167e+00 1.82 -2.131053560e+00 -2.172834954e+00 -4.445594792e+00 -2.130377941e+00 -2.129702321e+00 -6.011245639e+00 -5.043270765e+00 -2.892363977e+00 -4.222161431e+00 -5.339006751e+00 1.84 -2.525607625e+00 -1.858567135e+00 -4.472068137e+00 -2.524982468e+00 -2.524357312e+00 -5.670760552e+00 -4.801644326e+00 -3.224818014e+00 -3.996782077e+00 -5.187123306e+00 1.86 -2.903133071e+00 -1.598304271e+00 -4.441523888e+00 -2.902567522e+00 -2.902001974e+00 -5.223383715e+00 -4.476497961e+00 -3.463081137e+00 -3.698132892e+00 -4.956122853e+00 1.88 -3.219863751e+00 -1.421622390e+00 -4.336574044e+00 -3.219364839e+00 -3.218865927e+00 -4.691808388e+00 -4.074383504e+00 -3.573481494e+00 -3.339740523e+00 -4.644603581e+00 1.90 -3.436449529e+00 -1.273204756e+00 -4.143438418e+00 -3.436022087e+00 -3.435594646e+00 -4.101451562e+00 -3.607805167e+00 -3.532440744e+00 -2.937234614e+00 -4.254624322e+00 1.92 -3.520936987e+00 -1.108337656e+00 -3.854038119e+00 -3.520583525e+00 -3.520230063e+00 -3.479074137e+00 -3.095508042e+00 -3.329124533e+00 -2.507713871e+00 -3.792906895e+00 1.94 -3.451404597e+00 -9.329611062e-01 -3.467880525e+00 -3.451125093e+00 -3.450845589e+00 -2.851421386e+00 -2.562037230e+00 -2.968250408e+00 -2.069029314e+00 -3.271758756e+00 1.96 -3.218458601e+00 -7.539739025e-01 -2.993726059e+00 -3.218250203e+00 -3.218041805e+00 -2.243950436e+00 -2.036355733e+00 -2.473379744e+00 -1.638999648e+00 -2.709588186e+00 1.98 -2.827901717e+00 -5.789724327e-01 -2.450954952e+00 -2.827758373e+00 -2.827615029e+00 -1.679702157e+00 -1.549396485e+00 -1.890564144e+00 -1.234587235e+00 -2.130840404e+00 2.00 -2.303891451e+00 -4.158403990e-01 -1.870358898e+00 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