# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2007--Vashishta-P-Kalia-R-K-Nakano-A-Rino-J-P--Si-C # implementation = 2007--Vashishta-P--Si-C--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C C C Si Si Si 0.02 3.685510781e+14 8.732222036e+17 1.849436424e+13 0.04 2.879305298e+12 1.705498982e+15 1.444819732e+11 0.06 1.685190118e+11 4.436301479e+13 8.455366000e+09 0.08 2.249457289e+10 3.330847344e+12 1.128442323e+09 0.10 4.717454001e+09 4.470287151e+11 2.365786575e+08 0.12 1.316554944e+09 8.662846543e+10 6.599474815e+07 0.14 4.475190671e+08 2.163110078e+10 2.241863674e+07 0.16 1.757389722e+08 6.502344312e+09 8.796438430e+06 0.18 7.705498403e+07 2.252127250e+09 3.852868741e+06 0.20 3.685520538e+07 8.722580539e+08 1.840437088e+06 0.22 1.891258591e+07 3.697865325e+08 9.429678337e+05 0.24 1.028566448e+07 1.689125964e+08 5.118932421e+05 0.26 5.873536400e+06 8.214397043e+07 2.916877238e+05 0.28 3.496309545e+06 4.213544575e+07 1.732066010e+05 0.30 2.157106357e+06 2.262928534e+07 1.065669172e+05 0.32 1.373018451e+06 1.264909540e+07 6.762086887e+04 0.34 8.982180464e+05 7.323145013e+06 4.408548592e+04 0.36 6.020427180e+05 4.373528352e+06 2.943792308e+04 0.38 4.123571647e+05 2.685300858e+06 2.008068779e+04 0.40 2.879762924e+05 1.690194829e+06 1.396211235e+04 0.42 2.046701541e+05 1.087930070e+06 9.876658468e+03 0.44 1.477949555e+05 7.146127702e+05 7.096734073e+03 0.46 1.082827775e+05 4.781372786e+05 5.172466616e+03 0.48 8.039328380e+04 3.253519993e+05 3.819536939e+03 0.50 6.041884722e+04 2.248352637e+05 2.854633955e+03 0.52 4.592028087e+04 1.575967398e+05 2.157393727e+03 0.54 3.526552477e+04 1.119241024e+05 1.647449123e+03 0.56 2.734541173e+04 8.045748559e+04 1.270304636e+03 0.58 2.139519043e+04 5.849145201e+04 9.884773578e+02 0.60 1.688047687e+04 4.296905977e+04 7.758431530e+02 0.62 1.342318393e+04 3.187453146e+04 6.139697167e+02 0.64 1.075268432e+04 2.386006306e+04 4.897023569e+02 0.66 8.673154671e+03 1.801271222e+04 3.935521929e+02 0.68 7.041450850e+03 1.370653786e+04 3.186059528e+02 0.70 5.751932690e+03 1.050745860e+04 2.597795238e+02 0.72 4.725934508e+03 8.111204243e+03 2.133009880e+02 0.74 3.904379377e+03 6.302334562e+03 1.763487234e+02 0.76 3.242545284e+03 4.926848146e+03 1.467954832e+02 0.78 2.706320250e+03 3.873667883e+03 1.230256837e+02 0.80 2.269498257e+03 3.061992900e+03 1.038037807e+02 0.82 1.911809791e+03 2.432570941e+03 8.817863640e+01 0.84 1.617475616e+03 1.941618414e+03 7.541347510e+01 0.86 1.374136495e+03 1.556546470e+03 6.493418528e+01 0.88 1.172055249e+03 1.252930769e+03 5.629088556e+01 0.90 1.003517655e+03 1.012345398e+03 4.912915308e+01 0.92 8.623796086e+02 8.208024389e+02 4.316834315e+01 0.94 7.437226473e+02 6.676194761e+02 3.818514983e+01 0.96 6.435902915e+02 5.445918437e+02 3.400106578e+01 0.98 5.587850663e+02 4.453835124e+02 3.047276185e+01 1.00 4.867113595e+02 3.650759572e+02 2.748466618e+01 1.02 4.252531099e+02 2.998319562e+02 2.494321014e+01 1.04 3.726781180e+02 2.466435526e+02 2.277234426e+01 1.06 3.275628121e+02 2.031420325e+02 2.091002718e+01 1.08 2.887328177e+02 1.674538757e+02 1.930546386e+01 1.10 2.552157951e+02 1.380909841e+02 1.791692348e+01 1.12 2.262038495e+02 1.138666081e+02 1.671000817e+01 1.14 2.010234430e+02 9.383064231e+01 1.565627373e+01 1.16 1.791112139e+02 7.721959736e+01 1.473212665e+01 1.18 1.599944672e+02 6.341774260e+01 1.391793846e+01 1.20 1.432753734e+02 5.192679667e+01 1.319733242e+01 1.22 1.286181255e+02 4.234218570e+01 1.255660657e+01 1.24 1.157384618e+02 3.433437164e+01 1.198426591e+01 1.26 1.043950911e+02 2.763411076e+01 1.147064148e+01 1.28 9.438265035e+01 2.202077141e+01 1.100757956e+01 1.30 8.552590332e+01 1.731304261e+01 1.058818698e+01 1.32 7.767494654e+01 1.336151844e+01 1.020662213e+01 1.34 7.070123556e+01 1.004275925e+01 9.857922681e+00 1.36 6.449428182e+01 7.254520243e+00 9.537863472e+00 1.38 5.895889919e+01 4.911905700e+00 9.242838707e+00 1.40 5.401290236e+01 2.944259813e+00 8.969764238e+00 1.42 4.958517793e+01 1.292645575e+00 8.715996229e+00 1.44 4.561406362e+01 -9.220537109e-02 8.479263308e+00 1.46 4.204598301e+01 -1.251564545e+00 8.257609838e+00 1.48 3.883429270e+01 -2.220073590e+00 8.049348383e+00 1.50 3.593830661e+01 -3.026864910e+00 7.853019786e+00 1.52 3.332246816e+01 -3.696482672e+00 7.667359567e+00 1.54 3.095564654e+01 -4.249641627e+00 7.491269592e+00 1.56 2.881053698e+01 -4.703853775e+00 7.323794126e+00 1.58 2.686314872e+01 -5.073947092e+00 7.164099559e+00 1.60 2.509236684e+01 -5.372495878e+00 7.011457212e+00 1.62 2.347957660e+01 -5.610178560e+00 6.865228717e+00 1.64 2.200834074e+01 -5.796075790e+00 6.724853578e+00 1.66 2.066412172e+01 -5.937919335e+00 6.589838555e+00 1.68 1.943404217e+01 -6.042300275e+00 6.459748597e+00 1.70 1.830667806e+01 -6.114843500e+00 6.334199084e+00 1.72 1.727187955e+01 -6.160354243e+00 6.212849175e+00 1.74 1.632061583e+01 -6.182941343e+00 6.095396096e+00 1.76 1.544484026e+01 -6.186121123e+00 5.981570233e+00 1.78 1.463737317e+01 -6.172905075e+00 5.871130900e+00 1.80 1.389179969e+01 -6.145874002e+00 5.763862691e+00 1.82 1.320238058e+01 -6.107240808e+00 5.659572332e+00 1.84 1.256397436e+01 -6.058903756e+00 5.558085953e+00 1.86 1.197196913e+01 -6.002491709e+00 5.459246728e+00 1.88 1.142222276e+01 -5.939402615e+00 5.362912825e+00 1.90 1.091101044e+01 -5.870836295e+00 5.268955630e+00 1.92 1.043497856e+01 -5.797822412e+00 5.177258194e+00 1.94 9.991104084e+00 -5.721244358e+00 5.087713888e+00 1.96 9.576658775e+00 -5.641859687e+00 5.000225225e+00 1.98 9.189177580e+00 -5.560317609e+00 4.914702834e+00 2.00 8.826430715e+00 -5.477173989e+00 4.831064560e+00 2.02 8.486398947e+00 -5.392904218e+00 4.749234675e+00 2.04 8.167251697e+00 -5.307914271e+00 4.669143192e+00 2.06 7.867327607e+00 -5.222550221e+00 4.590725257e+00 2.08 7.585117287e+00 -5.137106424e+00 4.513920613e+00 2.10 7.319247967e+00 -5.051832580e+00 4.438673135e+00 2.12 7.068469830e+00 -4.966939811e+00 4.364930415e+00 2.14 6.831643834e+00 -4.882605921e+00 4.292643393e+00 2.16 6.607730844e+00 -4.798979929e+00 4.221766039e+00 2.18 6.395781918e+00 -4.716185997e+00 4.152255065e+00 2.20 6.194929629e+00 -4.634326818e+00 4.084069671e+00 2.22 6.004380286e+00 -4.553486559e+00 4.017171320e+00 2.24 5.823406970e+00 -4.473733403e+00 3.951523537e+00 2.26 5.651343282e+00 -4.395121757e+00 3.887091733e+00 2.28 5.487577730e+00 -4.317694161e+00 3.823843045e+00 2.30 5.331548682e+00 -4.241482947e+00 3.761746194e+00 2.32 5.182739829e+00 -4.166511683e+00 3.700771358e+00 2.34 5.040676092e+00 -4.092796414e+00 3.640890057e+00 2.36 4.904919938e+00 -4.020346753e+00 3.582075053e+00 2.38 4.775068052e+00 -3.949166818e+00 3.524300258e+00 2.40 4.650748332e+00 -3.879256051e+00 3.467540651e+00 2.42 4.531617175e+00 -3.810609928e+00 3.411772202e+00 2.44 4.417357016e+00 -3.743220573e+00 3.356971808e+00 2.46 4.307674105e+00 -3.677077293e+00 3.303117228e+00 2.48 4.202296489e+00 -3.612167043e+00 3.250187031e+00 2.50 4.100972181e+00 -3.548474827e+00 3.198160546e+00 2.52 4.003467499e+00 -3.485984044e+00 3.147017814e+00 2.54 3.909565556e+00 -3.424676792e+00 3.096739548e+00 2.56 3.819064887e+00 -3.364534130e+00 3.047307095e+00 2.58 3.731778201e+00 -3.305536299e+00 2.998702401e+00 2.60 3.647531237e+00 -3.247662919e+00 2.950907977e+00 2.62 3.566161733e+00 -3.190893158e+00 2.903906876e+00 2.64 3.487518477e+00 -3.135205872e+00 2.857682657e+00 2.66 3.411460440e+00 -3.080579729e+00 2.812219369e+00 2.68 3.337855990e+00 -3.026993319e+00 2.767501523e+00 2.70 3.266582166e+00 -2.974425237e+00 2.723514069e+00 2.72 3.197524022e+00 -2.922854164e+00 2.680242382e+00 2.74 3.130574018e+00 -2.872258932e+00 2.637672241e+00 2.76 3.065631465e+00 -2.822618574e+00 2.595789810e+00 2.78 3.002602022e+00 -2.773912374e+00 2.554581624e+00 2.80 2.941397224e+00 -2.726119899e+00 2.514034574e+00 2.82 2.881934054e+00 -2.679221037e+00 2.474135894e+00 2.84 2.824134551e+00 -2.633196015e+00 2.434873145e+00 2.86 2.767925450e+00 -2.588025424e+00 2.396234206e+00 2.88 2.713237842e+00 -2.543690230e+00 2.358207260e+00 2.90 2.660006875e+00 -2.500171789e+00 2.320780784e+00 2.92 2.608171466e+00 -2.457451854e+00 2.283943541e+00 2.94 2.557674041e+00 -2.415512580e+00 2.247684564e+00 2.96 2.508460299e+00 -2.374336530e+00 2.211993156e+00 2.98 2.460478984e+00 -2.333906670e+00 2.176858870e+00 3.00 2.413681682e+00 -2.294206374e+00 2.142271512e+00 3.02 2.368022635e+00 -2.255219421e+00 2.108221126e+00 3.04 2.323458560e+00 -2.216929988e+00 2.074697987e+00 3.06 2.279948492e+00 -2.179322651e+00 2.041692597e+00 3.08 2.237453627e+00 -2.142382372e+00 2.009195675e+00 3.10 2.195937192e+00 -2.106094500e+00 1.977198153e+00 3.12 2.155364308e+00 -2.070444762e+00 1.945691168e+00 3.14 2.115701873e+00 -2.035419254e+00 1.914666056e+00 3.16 2.076918451e+00 -2.001004436e+00 1.884114346e+00 3.18 2.038984170e+00 -1.967187120e+00 1.854027757e+00 3.20 2.001870625e+00 -1.933954469e+00 1.824398190e+00 3.22 1.965550785e+00 -1.901293981e+00 1.795217724e+00 3.24 1.929998916e+00 -1.869193486e+00 1.766478610e+00 3.26 1.895190502e+00 -1.837641135e+00 1.738173269e+00 3.28 1.861102169e+00 -1.806625393e+00 1.710294282e+00 3.30 1.827711625e+00 -1.776135030e+00 1.682834394e+00 3.32 1.794997589e+00 -1.746159114e+00 1.655786502e+00 3.34 1.762939741e+00 -1.716687001e+00 1.629143653e+00 3.36 1.731518659e+00 -1.687708326e+00 1.602899044e+00 3.38 1.700715778e+00 -1.659213000e+00 1.577046012e+00 3.40 1.670513333e+00 -1.631191196e+00 1.551578036e+00 3.42 1.640894319e+00 -1.603633347e+00 1.526488730e+00 3.44 1.611842449e+00 -1.576530134e+00 1.501771839e+00 3.46 1.583342118e+00 -1.549872481e+00 1.477421238e+00 3.48 1.555378358e+00 -1.523651547e+00 1.453430929e+00 3.50 1.527936813e+00 -1.497858722e+00 1.429795036e+00 3.52 1.501003702e+00 -1.472485615e+00 1.406507801e+00 3.54 1.474565791e+00 -1.447524051e+00 1.383563585e+00 3.56 1.448610361e+00 -1.422966064e+00 1.360956862e+00 3.58 1.423125187e+00 -1.398803889e+00 1.338682217e+00 3.60 1.398098511e+00 -1.375029961e+00 1.316734343e+00 3.62 1.373519015e+00 -1.351636901e+00 1.295108040e+00 3.64 1.349375805e+00 -1.328617518e+00 1.273798210e+00 3.66 1.325658386e+00 -1.305964800e+00 1.252799855e+00 3.68 1.302356643e+00 -1.283671907e+00 1.232108078e+00 3.70 1.279460824e+00 -1.261732171e+00 1.211718077e+00 3.72 1.256961525e+00 -1.240139085e+00 1.191625142e+00 3.74 1.234849666e+00 -1.218886303e+00 1.171824657e+00 3.76 1.213116483e+00 -1.197967630e+00 1.152312095e+00 3.78 1.191753513e+00 -1.177377025e+00 1.133083014e+00 3.80 1.170752574e+00 -1.157108589e+00 1.114133061e+00 3.82 1.150105760e+00 -1.137156565e+00 1.095457965e+00 3.84 1.129805422e+00 -1.117515333e+00 1.077053534e+00 3.86 1.109844163e+00 -1.098179404e+00 1.058915660e+00 3.88 1.090214821e+00 -1.079143422e+00 1.041040310e+00 3.90 1.070910461e+00 -1.060402152e+00 1.023423527e+00 3.92 1.051924369e+00 -1.041950482e+00 1.006061430e+00 3.94 1.033250034e+00 -1.023783419e+00 9.889502089e-01 3.96 1.014881149e+00 -1.005896084e+00 9.720861259e-01 3.98 9.968115958e-01 -9.882837084e-01 9.554655121e-01 4.00 9.790354393e-01 -9.709416335e-01 9.390847667e-01 4.02 9.615469208e-01 -9.538653049e-01 9.229403553e-01 4.04 9.443404498e-01 -9.370502703e-01 9.070288083e-01 4.06 9.274105977e-01 -9.204921769e-01 8.913467197e-01 4.08 9.107520910e-01 -9.041867686e-01 8.758907458e-01 4.10 8.943598057e-01 -8.881298828e-01 8.606576035e-01 4.12 8.782287612e-01 -8.723174484e-01 8.456440692e-01 4.14 8.623541146e-01 -8.567454829e-01 8.308469774e-01 4.16 8.467311558e-01 -8.414100903e-01 8.162632197e-01 4.18 8.313553024e-01 -8.263074583e-01 8.018897431e-01 4.20 8.162220946e-01 -8.114338565e-01 7.877235494e-01 4.22 8.013271913e-01 -7.967856338e-01 7.737616935e-01 4.24 7.866663651e-01 -7.823592165e-01 7.600012826e-01 4.26 7.722354985e-01 -7.681511060e-01 7.464394751e-01 4.28 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