# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Tersoff-J--Si-C # implementation = 1989--Tersoff-J--Si-C--LAMMPS--ipr1 # composition = CSi3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 3.337849407e+03 nan nan 0.66 2.997220008e+03 nan nan 0.68 2.697854679e+03 nan nan 0.70 2.429046107e+03 3.303549090e+03 nan 0.72 2.186795024e+03 2.991649533e+03 3.317142373e+03 0.74 1.976968414e+03 2.722471607e+03 3.017724965e+03 0.76 1.791531159e+03 2.476250661e+03 2.750615768e+03 0.78 1.623466660e+03 2.252305345e+03 2.504993575e+03 0.80 1.472079859e+03 2.052002561e+03 2.277881029e+03 0.82 1.339250527e+03 1.867084489e+03 2.074216787e+03 0.84 1.219628263e+03 1.700678553e+03 1.898204235e+03 0.86 1.110336525e+03 1.552544726e+03 1.739168364e+03 0.88 1.013627747e+03 1.424273463e+03 1.591811614e+03 0.90 9.251101713e+02 1.308573212e+03 1.455985533e+03 0.92 8.419060612e+02 1.200876383e+03 1.332385138e+03 0.94 7.660891216e+02 1.099851528e+03 1.220650700e+03 0.96 6.988082132e+02 1.007371639e+03 1.123392289e+03 0.98 6.394072815e+02 9.231290655e+02 1.035561570e+03 1.00 5.838126626e+02 8.476894971e+02 9.572955330e+02 1.02 5.299225195e+02 7.800251405e+02 8.858880863e+02 1.04 4.791946253e+02 7.192695751e+02 8.171724849e+02 1.06 4.342817840e+02 6.658870031e+02 7.501675590e+02 1.08 3.963564640e+02 6.163688326e+02 6.868189856e+02 1.10 3.653334314e+02 5.674990220e+02 6.292838998e+02 1.12 3.379729280e+02 5.201548565e+02 5.796113294e+02 1.14 3.126738733e+02 4.759373907e+02 5.377912640e+02 1.16 2.892217387e+02 4.367362165e+02 4.995909300e+02 1.18 2.668089599e+02 4.019647968e+02 4.640916767e+02 1.20 2.455344418e+02 3.700761478e+02 4.316011311e+02 1.22 2.255393528e+02 3.398215493e+02 4.018534718e+02 1.24 2.062556259e+02 3.113492886e+02 3.732465131e+02 1.26 1.878572519e+02 2.852936256e+02 3.454601007e+02 1.28 1.709500378e+02 2.621011085e+02 3.190274515e+02 1.30 1.555315731e+02 2.423860101e+02 2.938900152e+02 1.32 1.415681458e+02 2.257426990e+02 2.706106927e+02 1.34 1.293525942e+02 2.104675592e+02 2.497894301e+02 1.36 1.186293900e+02 1.961611176e+02 2.308296714e+02 1.38 1.086965014e+02 1.824222788e+02 2.120930082e+02 1.40 9.963899662e+01 1.692681026e+02 1.938196309e+02 1.42 9.114215313e+01 1.566536055e+02 1.765345776e+02 1.44 8.322929758e+01 1.438598891e+02 1.609785278e+02 1.46 7.565159311e+01 1.311246399e+02 1.477648614e+02 1.48 6.794380997e+01 1.188741931e+02 1.363576449e+02 1.50 6.038301964e+01 1.075456134e+02 1.267521286e+02 1.52 5.301990329e+01 9.733385249e+01 1.182827514e+02 1.54 4.589060341e+01 8.841017814e+01 1.103557503e+02 1.56 3.932903673e+01 8.111465686e+01 1.029347393e+02 1.58 3.380025865e+01 7.526660769e+01 9.544641644e+01 1.60 2.979572889e+01 6.987308383e+01 8.758934970e+01 1.62 2.701045270e+01 6.483520115e+01 7.957701306e+01 1.64 2.445277720e+01 6.013013177e+01 7.163031746e+01 1.66 2.208486928e+01 5.570322114e+01 6.398398157e+01 1.68 1.989389744e+01 5.113017038e+01 5.690989142e+01 1.70 1.786786018e+01 4.637613415e+01 5.073104926e+01 1.72 1.599553347e+01 4.155877827e+01 4.576938420e+01 1.74 1.426642163e+01 3.679788093e+01 4.210643082e+01 1.76 1.267071117e+01 3.222160970e+01 3.887893622e+01 1.78 1.119922758e+01 2.798092038e+01 3.586114788e+01 1.80 9.843394842e+00 2.425835443e+01 3.304030021e+01 1.82 8.595197361e+00 2.124372745e+01 3.040438386e+01 1.84 7.447144411e+00 1.905147868e+01 2.794210131e+01 1.86 6.392236728e+00 1.725236141e+01 2.564282509e+01 1.88 5.423935219e+00 1.557909744e+01 2.349655843e+01 1.90 4.536131631e+00 1.402376375e+01 2.149389820e+01 1.92 3.723121056e+00 1.257060602e+01 1.959907610e+01 1.94 2.979576168e+00 1.117492966e+01 1.767999759e+01 1.96 2.300523068e+00 9.835342355e+00 1.574478257e+01 1.98 1.677402812e+00 8.555921461e+00 1.382366613e+01 2.00 1.077196365e+00 7.339663564e+00 1.194802435e+01 2.02 5.041645049e-01 6.188720708e+00 1.015124271e+01 2.04 -2.924813378e-02 5.105003613e+00 8.470000131e+00 2.06 -5.123730704e-01 4.091107802e+00 6.944416710e+00 2.08 -9.368450194e-01 3.151377809e+00 5.615006507e+00 2.10 -1.296901046e+00 2.292704613e+00 4.515105526e+00 2.12 -1.589564041e+00 1.524407602e+00 3.660211523e+00 2.14 -1.814879624e+00 8.564986512e-01 2.965944910e+00 2.16 -1.976431888e+00 2.961472067e-01 2.325637545e+00 2.18 -2.082394654e+00 -1.596546360e-01 1.735497530e+00 2.20 -2.147293368e+00 -5.616567600e-01 1.192320958e+00 2.22 -2.195234182e+00 -9.308211940e-01 6.830578148e-01 2.24 -2.252721159e+00 -1.272909574e+00 1.886532741e-01 2.26 -2.318668853e+00 -1.584114722e+00 -2.824094110e-01 2.28 -2.346394148e+00 -1.860947193e+00 -7.213269995e-01 2.30 -2.328532239e+00 -2.100819921e+00 -1.120481836e+00 2.32 -2.266050567e+00 -2.302223802e+00 -1.473822751e+00 2.34 -2.167425980e+00 -2.464890517e+00 -1.777102885e+00 2.36 -2.048491017e+00 -2.596587282e+00 -2.028008905e+00 2.38 -1.930370042e+00 -2.698278182e+00 -2.226246225e+00 2.40 -1.834791576e+00 -2.767094423e+00 -2.373678432e+00 2.42 -1.776060042e+00 -2.805145772e+00 -2.474649861e+00 2.44 -1.750350713e+00 -2.820153362e+00 -2.536629627e+00 2.46 -1.736328661e+00 -2.825289850e+00 -2.571248311e+00 2.48 -1.721335319e+00 -2.837700751e+00 -2.595486209e+00 2.50 -1.704717145e+00 -2.874901338e+00 -2.631742462e+00 2.52 -1.686632793e+00 -2.943647931e+00 -2.695734904e+00 2.54 -1.667230514e+00 -3.018048549e+00 -2.756058508e+00 2.56 -1.646648753e+00 -3.086526206e+00 -2.806967468e+00 2.58 -1.625016713e+00 -3.132660846e+00 -2.849138526e+00 2.60 -1.602454890e+00 -3.133875668e+00 -2.883208144e+00 2.62 -1.579075576e+00 -3.110326142e+00 -2.909774712e+00 2.64 -1.554983338e+00 -3.083554476e+00 -2.929400638e+00 2.66 -1.530275470e+00 -3.053865101e+00 -2.942614328e+00 2.68 -1.505042420e+00 -3.021542659e+00 -2.949912064e+00 2.70 -1.479368191e+00 -2.986853135e+00 -2.951759778e+00 2.72 -1.438335753e+00 -2.925441566e+00 -2.935620607e+00 2.74 -1.368601439e+00 -2.813984600e+00 -2.885658476e+00 2.76 -1.273395578e+00 -2.655240760e+00 -2.797097049e+00 2.78 -1.156891757e+00 -2.453380000e+00 -2.665608777e+00 2.80 -1.024043312e+00 -2.214127965e+00 -2.488353509e+00 2.82 -8.803908226e-01 -1.944857852e+00 -2.264981322e+00 2.84 -7.318425526e-01 -1.654603283e+00 -1.998526265e+00 2.86 -5.844320719e-01 -1.353968137e+00 -1.696114874e+00 2.88 -4.440600970e-01 -1.054909945e+00 -1.369400533e+00 2.90 -3.162305135e-01 -7.703716681e-01 -1.034610106e+00 2.92 -2.057932093e-01 -5.137330790e-01 -7.120550538e-01 2.94 -1.167082716e-01 -2.980511376e-01 -4.249273383e-01 2.96 -5.184676681e-02 -1.350660044e-01 -1.971978373e-01 2.98 -1.284203297e-02 -3.397437794e-02 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