# 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 = 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 3.395448701e+03 nan nan 0.66 3.048678725e+03 nan nan 0.68 2.743698280e+03 nan nan 0.70 2.469884998e+03 3.360107487e+03 nan 0.72 2.223187150e+03 3.042157409e+03 3.374311623e+03 0.74 2.009681024e+03 2.768443236e+03 3.069757382e+03 0.76 1.821240522e+03 2.518145378e+03 2.797945845e+03 0.78 1.650445748e+03 2.290275467e+03 2.547865925e+03 0.80 1.496615275e+03 2.086354631e+03 2.316639393e+03 0.82 1.361675142e+03 1.898245506e+03 2.109402361e+03 0.84 1.240034638e+03 1.729189905e+03 1.930457379e+03 0.86 1.128654917e+03 1.578743265e+03 1.768595573e+03 0.88 1.029925141e+03 1.448246280e+03 1.618390746e+03 0.90 9.395828340e+02 1.330273657e+03 1.479835832e+03 0.92 8.548682204e+02 1.220300335e+03 1.353763904e+03 0.94 7.779200496e+02 1.117104394e+03 1.239962311e+03 0.96 7.096481244e+02 1.022727628e+03 1.141113602e+03 0.98 6.492659224e+02 9.370304438e+02 1.051846528e+03 1.00 5.926119361e+02 8.604982376e+02 9.722313618e+02 1.02 5.376304413e+02 7.919144882e+02 8.994557512e+02 1.04 4.858464055e+02 7.303141362e+02 8.293894253e+02 1.06 4.399772630e+02 6.761601073e+02 7.611066499e+02 1.08 4.012499423e+02 6.259281844e+02 6.965760273e+02 1.10 3.696669419e+02 5.763874809e+02 6.380353941e+02 1.12 3.418421192e+02 5.283785973e+02 5.876169370e+02 1.14 3.161046233e+02 4.834650382e+02 5.452493940e+02 1.16 2.922560229e+02 4.435543862e+02 5.065444746e+02 1.18 2.695026674e+02 4.079959526e+02 4.705760729e+02 1.20 2.479557161e+02 3.752473557e+02 4.376510362e+02 1.22 2.277560249e+02 3.440751478e+02 4.075012257e+02 1.24 2.082636476e+02 3.146465379e+02 3.785184029e+02 1.26 1.896021400e+02 2.876549868e+02 3.503793475e+02 1.28 1.723900190e+02 2.636431090e+02 3.236092501e+02 1.30 1.566371210e+02 2.434131660e+02 2.980663941e+02 1.32 1.423255720e+02 2.266040389e+02 2.743094559e+02 1.34 1.297747835e+02 2.112313483e+02 2.529569786e+02 1.36 1.187693661e+02 1.968352247e+02 2.334226693e+02 1.38 1.086551180e+02 1.830128679e+02 2.140719853e+02 1.40 9.954020745e+01 1.697810921e+02 1.951622517e+02 1.42 9.101505088e+01 1.570946451e+02 1.772760155e+02 1.44 8.307760285e+01 1.442327924e+02 1.612826160e+02 1.46 7.547834308e+01 1.314336491e+02 1.478953876e+02 1.48 6.775096088e+01 1.191245082e+02 1.364025970e+02 1.50 6.017298362e+01 1.077435094e+02 1.267557216e+02 1.52 5.279513803e+01 9.748577423e+01 1.182519876e+02 1.54 4.565366115e+01 8.852243978e+01 1.102942132e+02 1.56 3.908305892e+01 8.119376055e+01 1.028457326e+02 1.58 3.354887159e+01 7.531794132e+01 9.533172042e+01 1.60 2.954256122e+01 6.989967924e+01 8.744998366e+01 1.62 2.675789601e+01 6.483971052e+01 7.941443690e+01 1.64 2.420178908e+01 6.011499073e+01 7.144644277e+01 1.66 2.183626828e+01 5.567061913e+01 6.378123863e+01 1.68 1.964839940e+01 5.108163537e+01 5.669132252e+01 1.70 1.762608728e+01 4.631320437e+01 5.050032290e+01 1.72 1.575802265e+01 4.148318514e+01 4.553054072e+01 1.74 1.403363230e+01 3.671150980e+01 4.186309669e+01 1.76 1.244303238e+01 3.212644694e+01 3.863269940e+01 1.78 1.097698459e+01 2.787896499e+01 3.561307479e+01 1.80 9.626855176e+00 2.415147161e+01 3.279135331e+01 1.82 8.384576409e+00 2.113344921e+01 3.015542948e+01 1.84 7.242610555e+00 1.893882587e+01 2.769391700e+01 1.86 6.193916070e+00 1.713803824e+01 2.539610637e+01 1.88 5.231915919e+00 1.546376036e+01 2.325192516e+01 1.90 4.350467893e+00 1.390799943e+01 2.125190051e+01 1.92 3.543836785e+00 1.245411114e+01 1.936020710e+01 1.94 2.806668314e+00 1.105342234e+01 1.744476975e+01 1.96 2.133964697e+00 9.704604220e+00 1.551374790e+01 1.98 1.516918285e+00 8.412366092e+00 1.359739243e+01 2.00 9.207751508e-01 7.180324549e+00 1.172706642e+01 2.02 3.504252904e-01 6.011313381e+00 9.936105826e+00 2.04 -1.800968158e-01 4.908085294e+00 8.261095450e+00 2.06 -6.583084095e-01 3.874341789e+00 6.742011889e+00 2.08 -1.074058235e+00 2.915862035e+00 5.419181046e+00 2.10 -1.420120221e+00 2.041258472e+00 4.325727008e+00 2.12 -1.692755899e+00 1.261651443e+00 3.476950270e+00 2.14 -1.892469294e+00 5.885772011e-01 2.788551282e+00 2.16 -2.025187586e+00 3.008889552e-02 2.154095818e+00 2.18 -2.103874830e+00 -4.171086113e-01 1.569776382e+00 2.20 -2.149767010e+00 -8.091163613e-01 1.032374221e+00 2.22 -2.191917441e+00 -1.167721582e+00 5.281813485e-01 2.24 -2.252400827e+00 -1.496819634e+00 3.703037968e-02 2.26 -2.318668853e+00 -1.792570139e+00 -4.317567001e-01 2.28 -2.346394148e+00 -2.051418684e+00 -8.682113491e-01 2.30 -2.328532239e+00 -2.270709677e+00 -1.263416781e+00 2.32 -2.266050567e+00 -2.448983325e+00 -1.610031185e+00 2.34 -2.167425980e+00 -2.586274365e+00 -1.902688027e+00 2.36 -2.048491017e+00 -2.690988528e+00 -2.138327153e+00 2.38 -1.930370042e+00 -2.765330412e+00 -2.316547529e+00 2.40 -1.834791576e+00 -2.808339323e+00 -2.440099377e+00 2.42 -1.776060042e+00 -2.824528508e+00 -2.515606661e+00 2.44 -1.750350713e+00 -2.824079743e+00 -2.554430473e+00 2.46 -1.736328661e+00 -2.821745985e+00 -2.573102782e+00 2.48 -1.721335319e+00 -2.833985292e+00 -2.592008236e+00 2.50 -1.704717145e+00 -2.874224697e+00 -2.630806248e+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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