# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Tersoff-J--Si-C # implementation = 1990--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 1.854346405e+03 nan nan nan nan 0.52 nan nan nan nan nan 1.607719536e+03 nan nan nan nan 0.54 nan nan nan nan nan 1.408262334e+03 nan nan 1.646004535e+03 nan 0.56 nan nan nan nan nan 1.238994641e+03 nan nan 1.438988130e+03 nan 0.58 nan 1.786632658e+03 nan nan nan 1.065515594e+03 1.824926117e+03 nan 1.259624152e+03 1.799428301e+03 0.60 nan 1.584405761e+03 nan nan nan 9.445581506e+02 1.614805596e+03 nan 1.114389979e+03 1.589276666e+03 0.62 nan 1.400616718e+03 nan nan nan 8.299964301e+02 1.423795662e+03 nan 9.853142652e+02 1.401220811e+03 0.64 nan 1.240743233e+03 1.719300810e+03 nan nan 7.359869757e+02 1.261148170e+03 1.778842856e+03 8.656066283e+02 1.250414300e+03 0.66 1.701308114e+03 1.104477562e+03 1.536690302e+03 1.699508999e+03 1.697764642e+03 6.567501157e+02 1.128079111e+03 1.586216003e+03 7.677061860e+02 1.119865606e+03 0.68 1.532975378e+03 9.902903813e+02 1.375659910e+03 1.525562814e+03 1.523944181e+03 5.828703835e+02 1.005057647e+03 1.417755157e+03 6.793443724e+02 9.885651927e+02 0.70 1.359824815e+03 8.726591380e+02 1.232755005e+03 1.367234900e+03 1.367728942e+03 5.127716607e+02 8.990229225e+02 1.265113998e+03 6.034481434e+02 8.795201284e+02 0.72 1.229964521e+03 7.850622421e+02 1.113434693e+03 1.232459236e+03 1.232897674e+03 4.600731583e+02 8.036065828e+02 1.137433066e+03 5.362794758e+02 7.920139001e+02 0.74 1.105926931e+03 6.996313178e+02 9.794696282e+02 1.106116324e+03 1.106488144e+03 4.032394779e+02 7.138315192e+02 1.023556771e+03 4.724605427e+02 7.113459162e+02 0.76 9.943628552e+02 6.214406443e+02 8.875418722e+02 9.958126941e+02 9.973441663e+02 3.628745515e+02 6.444568386e+02 9.217821991e+02 4.247261383e+02 6.331744024e+02 0.78 9.033091381e+02 5.612129821e+02 8.004497900e+02 8.993231231e+02 9.008190851e+02 3.216230795e+02 5.794302177e+02 8.365869695e+02 3.769861589e+02 5.725187610e+02 0.80 8.126956871e+02 5.073344935e+02 7.270232004e+02 8.134663983e+02 8.149384969e+02 2.901326096e+02 5.221064814e+02 7.513621310e+02 3.338580522e+02 5.086875254e+02 0.82 7.400395686e+02 4.521466759e+02 6.610222802e+02 7.361454066e+02 7.328969224e+02 2.620221774e+02 4.651711859e+02 6.804630269e+02 3.009982258e+02 4.609739312e+02 0.84 6.602150419e+02 4.037868712e+02 5.892736084e+02 6.638943502e+02 6.631070305e+02 2.298460508e+02 4.166541481e+02 6.108203824e+02 2.687612412e+02 4.043989804e+02 0.86 6.024425955e+02 3.659752523e+02 5.368728206e+02 6.057727185e+02 6.050512616e+02 2.079780446e+02 3.745499759e+02 5.567684583e+02 2.426907985e+02 3.670812387e+02 0.88 5.501825817e+02 3.319367171e+02 4.895301566e+02 5.485348449e+02 5.477926738e+02 1.883620135e+02 3.302188926e+02 5.079173345e+02 2.167403114e+02 3.334540631e+02 0.90 5.005659215e+02 2.964936718e+02 4.371959115e+02 5.001900294e+02 5.006661552e+02 1.583274386e+02 2.999972973e+02 4.622566871e+02 1.959755935e+02 2.973576366e+02 0.92 4.578501160e+02 2.636734174e+02 3.992268976e+02 4.575053329e+02 4.579314633e+02 1.434599538e+02 2.706247963e+02 4.163256617e+02 1.773137360e+02 2.704324266e+02 0.94 4.190714731e+02 2.303850833e+02 3.647841923e+02 4.165958844e+02 4.169979081e+02 1.300701819e+02 2.461075380e+02 3.740155002e+02 1.527137203e+02 2.460900614e+02 0.96 3.637030308e+02 2.092257540e+02 3.335107005e+02 3.692797938e+02 3.726455987e+02 1.180010332e+02 2.239210460e+02 3.346561705e+02 1.382407081e+02 2.240638296e+02 0.98 3.332367253e+02 1.900677091e+02 2.954704990e+02 3.357110162e+02 3.361467791e+02 1.071132104e+02 2.020281743e+02 3.062329147e+02 1.222421448e+02 2.041167785e+02 1.00 3.054608100e+02 1.727114761e+02 2.575907690e+02 3.048810387e+02 3.053359440e+02 9.027381989e+01 1.802150090e+02 2.763690044e+02 1.106887917e+02 1.860381498e+02 1.02 2.801196840e+02 1.569787719e+02 2.356621077e+02 2.795948312e+02 2.800249974e+02 8.188916298e+01 1.641069147e+02 2.530781126e+02 1.002565557e+02 1.696402678e+02 1.04 2.532970275e+02 1.427101042e+02 2.156602747e+02 2.537492899e+02 2.542018296e+02 7.430746621e+01 1.494839179e+02 2.318331441e+02 8.468078534e+01 1.449977105e+02 1.06 2.324243752e+02 1.297626596e+02 1.974065169e+02 2.298649979e+02 2.273058788e+02 6.744778595e+01 1.362016089e+02 2.086783009e+02 7.659901302e+01 1.322050163e+02 1.08 2.133402048e+02 1.154993516e+02 1.807397714e+02 2.109667323e+02 2.085935085e+02 6.123778388e+01 1.241305570e+02 1.912417859e+02 6.558097944e+01 1.205687564e+02 1.10 1.958813037e+02 9.930145101e+01 1.624414443e+02 1.936750360e+02 1.914690078e+02 5.212783494e+01 1.100003596e+02 1.753050595e+02 5.921203489e+01 1.099793837e+02 1.12 1.681833958e+02 8.696869920e+01 1.487329498e+02 1.688502470e+02 1.695167040e+02 4.725657927e+01 1.002462919e+02 1.529017354e+02 5.293454069e+01 8.680679667e+01 1.14 1.543462789e+02 7.887976169e+01 1.361982800e+02 1.549603961e+02 1.555741356e+02 4.284132284e+01 8.803781795e+01 1.401016901e+02 4.379455236e+01 7.891410912e+01 1.16 1.416603983e+02 7.152454719e+01 1.247326363e+02 1.422273613e+02 1.427939626e+02 3.883778976e+01 7.624456603e+01 1.283821260e+02 3.936293905e+01 7.172384319e+01 1.18 1.300261956e+02 6.483580847e+01 1.142411285e+02 1.305508884e+02 1.310752346e+02 3.520620705e+01 6.833749822e+01 1.176484317e+02 3.535687785e+01 6.517280494e+01 1.20 1.193532036e+02 5.875265893e+01 1.046377786e+02 1.198399059e+02 1.203262760e+02 3.191082678e+01 5.427468928e+01 1.078147350e+02 3.173572302e+01 5.920363836e+01 1.22 1.095591653e+02 5.321994445e+01 9.584463076e+01 1.100116322e+02 1.104637808e+02 2.891950075e+01 4.907803490e+01 9.500546178e+01 2.846276606e+01 5.376426790e+01 1.24 1.005692439e+02 4.818768024e+01 8.779095517e+01 1.009907749e+02 1.014120009e+02 2.620330152e+01 4.434695222e+01 8.698753844e+01 2.550484597e+01 4.880739592e+01 1.26 8.655720576e+01 4.099721657e+01 7.745971135e+01 8.855782107e+01 9.055848584e+01 2.373618490e+01 4.004042543e+01 7.764815135e+01 2.283199901e+01 4.060387223e+01 1.28 7.933202889e+01 3.700269224e+01 7.089590625e+01 8.121054839e+01 8.308911499e+01 2.149468909e+01 3.612107630e+01 7.102766210e+01 2.041714386e+01 3.670412262e+01 1.30 7.269529692e+01 3.337083999e+01 6.487830392e+01 7.446158109e+01 7.622791017e+01 1.945766634e+01 2.972964757e+01 6.495571722e+01 1.685074646e+01 3.315321624e+01 1.32 6.659850474e+01 3.006929121e+01 4.721088864e+01 6.557014841e+01 6.454198359e+01 1.231483656e+01 2.664553267e+01 5.938643791e+01 1.496832285e+01 2.992043184e+01 1.34 6.099728526e+01 2.046197260e+01 4.285799868e+01 6.003493595e+01 5.907277015e+01 1.094235029e+01 2.384401249e+01 5.427790976e+01 1.275331938e+01 2.697777756e+01 1.36 5.585103947e+01 1.812061304e+01 3.887124823e+01 5.494903987e+01 5.404721606e+01 9.698409084e+00 2.130027251e+01 4.959182407e+01 1.125204073e+01 2.429974355e+01 1.38 5.112260141e+01 1.600098363e+01 3.522077710e+01 5.027589630e+01 4.942935960e+01 8.571435541e+00 1.899165604e+01 4.529315338e+01 9.899826682e+00 2.186307752e+01 1.40 4.677793435e+01 9.966537976e+00 3.187915833e+01 4.598200012e+01 4.518622721e+01 7.550905310e+00 1.689747539e+01 3.819728502e+01 7.258090662e+00 1.964658116e+01 1.42 4.278585527e+01 8.453456675e+00 2.882119641e+01 4.203663782e+01 4.128757490e+01 6.627248456e+00 1.499883989e+01 3.476744099e+01 6.244541733e+00 1.763092528e+01 1.44 3.911778485e+01 7.094220656e+00 2.602374271e+01 3.841164502e+01 3.770565320e+01 5.791760364e+00 1.327849904e+01 2.179391302e+01 5.335766344e+00 1.579848202e+01 1.46 2.283172360e+01 4.403101561e+00 2.346552669e+01 2.373212700e+01 2.463266894e+01 5.036521252e+00 1.172069961e+01 1.942738908e+01 4.521827115e+00 1.027831737e+01 1.48 2.041910230e+01 3.388021478e+00 2.112700134e+01 2.127293942e+01 2.212690737e+01 4.354323432e+00 1.031105533e+01 1.726763976e+01 3.793706289e+00 8.979633817e+00 1.50 1.821278600e+01 2.484266743e+00 1.899020171e+01 1.902299538e+01 1.983332832e+01 3.738605552e+00 9.036428000e+00 1.529801845e+01 3.143220612e+00 7.805258061e+00 1.52 1.619649320e+01 1.681634274e+00 1.703861539e+01 1.696577575e+01 1.773517501e+01 3.183393120e+00 7.884819173e+00 1.350317381e+01 2.562944194e+00 6.744283299e+00 1.54 1.435518527e+01 9.707873930e-01 7.592910907e+00 1.435487848e+01 1.435457168e+01 -7.472988320e+00 5.162213629e+00 1.186895000e+01 -2.625020928e-02 5.786732332e+00 1.56 1.267497252e+01 3.431850462e-01 6.354590976e+00 1.267468328e+01 1.267439403e+01 -7.461402653e+00 4.318398166e+00 1.038229466e+01 -3.704836010e-01 4.923478672e+00 1.58 1.114302732e+01 -2.089833117e-01 5.236173615e+00 1.114275461e+01 1.114248190e+01 -7.428557635e+00 3.561092684e+00 9.031174005e+00 -6.711253435e-01 4.146174394e+00 1.60 9.747503965e+00 -6.928576194e-01 4.227673763e+00 9.747246816e+00 9.746989667e+00 -7.376870119e+00 2.882503495e+00 7.804494435e+00 -9.324557530e-01 3.447184149e+00 1.62 8.477464464e+00 -1.114962310e+00 3.319884105e+00 8.477221971e+00 8.476979477e+00 -7.308550345e+00 2.275505990e+00 6.692030215e+00 -1.158367936e+00 2.819524806e+00 1.64 7.322810028e+00 -1.481256991e+00 2.504316530e+00 7.322581336e+00 7.322352644e+00 -7.225617798e+00 1.733588099e+00 5.684356700e+00 -1.352401847e+00 2.256810231e+00 1.66 6.274217700e+00 -1.797183051e+00 1.773147911e+00 6.274002006e+00 6.273786313e+00 -7.129915904e+00 1.250798522e+00 4.772788708e+00 -1.517775366e+00 1.753200772e+00 1.68 5.323081779e+00 -2.067706524e+00 1.119169905e+00 5.322878328e+00 5.322674877e+00 -7.023125665e+00 8.216993386e-01 2.905391255e+00 -5.058083584e+00 1.303357035e+00 1.70 4.461459663e+00 -2.297357494e+00 5.357424589e-01 4.461267743e+00 4.461075823e+00 -6.906778287e+00 4.413226152e-01 2.214116724e+00 -5.009482911e+00 9.023975805e-01 1.72 3.682021771e+00 -2.490266328e+00 1.675076399e-02 3.681840714e+00 3.681659657e+00 -6.782266894e+00 -2.954210716e+00 1.593775017e+00 -4.949654402e+00 5.458602191e-01 1.74 2.978005241e+00 -2.650196982e+00 -4.434345956e-01 2.977834417e+00 2.977663594e+00 -6.650857373e+00 -3.090972287e+00 1.038333759e+00 -4.880106056e+00 2.296665774e-01 1.76 2.343171112e+00 -2.780577615e+00 -8.499945407e-01 2.343009929e+00 2.342848747e+00 -6.513698423e+00 -3.201569610e+00 5.422361146e-01 -4.802202995e+00 -4.991033130e-02 1.78 -1.402636003e+00 -2.884528723e+00 -1.207695652e+00 -1.401887382e+00 -1.401138761e+00 -6.371830870e+00 -3.288661288e+00 -1.992763688e+00 -4.717179529e+00 -5.448464498e+00 1.80 -1.764232682e+00 -2.964888992e+00 -1.520921784e+00 -1.763517809e+00 -1.762802936e+00 -6.226196279e+00 -3.354676521e+00 -2.283611436e+00 -4.626150240e+00 -5.415260167e+00 1.82 -2.081082486e+00 -3.024239055e+00 -1.793703331e+00 -2.080399840e+00 -2.079717193e+00 -6.077644936e+00 -3.401833592e+00 -2.535011781e+00 -4.530120190e+00 -5.369329696e+00 1.84 -2.357107328e+00 -3.064923308e+00 -2.029744305e+00 -2.356455455e+00 -2.355803583e+00 -5.926943233e+00 -3.432156912e+00 -2.750557157e+00 -4.429994294e+00 -5.312199142e+00 1.86 -2.595924782e+00 -3.089069958e+00 -2.232447400e+00 -2.595302296e+00 -2.594679811e+00 -5.774780500e+00 -3.447492729e+00 -2.933553438e+00 -4.326585944e+00 -5.245261993e+00 1.88 -2.800870346e+00 -3.098609426e+00 -2.404937183e+00 -2.800275922e+00 -2.799681498e+00 -5.621775328e+00 -3.449523618e+00 -3.087041396e+00 -4.220624934e+00 -5.169789422e+00 1.90 -2.975018121e+00 -3.095291253e+00 -2.550081547e+00 -2.974450494e+00 -2.973882866e+00 -5.468481409e+00 -3.439781823e+00 -3.213816610e+00 -4.112764739e+00 -5.086939782e+00 1.92 -3.121200031e+00 -3.080699614e+00 -2.670511566e+00 -3.120657993e+00 -3.120115954e+00 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