# 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 = 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 2024-11-27 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 4.666685958e+03 nan nan 0.60 4.174425132e+03 nan nan 0.62 3.720640830e+03 nan nan 0.64 3.301874731e+03 4.512542307e+03 nan 0.66 2.977624624e+03 4.062973858e+03 4.461623084e+03 0.68 2.704923162e+03 3.664407072e+03 4.065593988e+03 0.70 2.379895761e+03 3.302779241e+03 3.596799699e+03 0.72 2.170864532e+03 3.018647387e+03 3.291932980e+03 0.74 1.940811217e+03 2.638436268e+03 2.975892042e+03 0.76 1.752610530e+03 2.421829792e+03 2.691995932e+03 0.78 1.605518970e+03 2.203247152e+03 2.475334491e+03 0.80 1.472115118e+03 2.027070675e+03 2.235121291e+03 0.82 1.311122728e+03 1.866687238e+03 2.060793464e+03 0.84 1.181269357e+03 1.667045933e+03 1.840374450e+03 0.86 1.087384788e+03 1.539238441e+03 1.701415805e+03 0.88 1.001617628e+03 1.422276600e+03 1.574103420e+03 0.90 9.020706503e+02 1.272141060e+03 1.446746112e+03 0.92 8.044170027e+02 1.178143843e+03 1.340646702e+03 0.94 7.194105496e+02 1.091734765e+03 1.243141349e+03 0.96 6.649460559e+02 1.012241203e+03 1.072499785e+03 0.98 6.148184585e+02 8.996416536e+02 9.970936258e+02 1.00 5.686601605e+02 7.891652467e+02 9.273907995e+02 1.02 5.261367572e+02 7.338324181e+02 8.629240936e+02 1.04 4.869438652e+02 6.825859803e+02 7.882002314e+02 1.06 4.508042671e+02 6.351043984e+02 7.342065872e+02 1.08 4.049391951e+02 5.910930930e+02 6.841528231e+02 1.10 3.605019336e+02 5.385464209e+02 6.377291924e+02 1.12 3.198702073e+02 5.015875981e+02 5.507996053e+02 1.14 2.965292523e+02 4.672684133e+02 5.141025265e+02 1.16 2.749055056e+02 4.353894675e+02 4.799422275e+02 1.18 2.548687399e+02 4.057673650e+02 4.481337593e+02 1.20 2.362990217e+02 3.782333548e+02 4.185064594e+02 1.22 2.190858607e+02 3.526320922e+02 3.909027868e+02 1.24 2.031274320e+02 3.288205108e+02 3.651772567e+02 1.26 1.782805306e+02 2.947393761e+02 3.190103418e+02 1.28 1.652963943e+02 2.749956984e+02 2.982069417e+02 1.30 1.532420483e+02 2.565985207e+02 2.787748541e+02 1.32 1.420499667e+02 1.986847717e+02 2.606204391e+02 1.34 1.071031380e+02 1.853068820e+02 2.436567652e+02 1.36 9.915440308e+01 1.727989835e+02 2.278031029e+02 1.38 9.175321851e+01 1.611045939e+02 2.129844597e+02 1.40 7.570744179e+01 1.501709600e+02 1.991311501e+02 1.42 6.973631203e+01 1.399488047e+02 1.861784007e+02 1.44 6.418094234e+01 1.303920914e+02 1.740659854e+02 1.46 5.626037772e+01 1.214578052e+02 1.224075944e+02 1.48 5.157878255e+01 1.131057490e+02 1.141434617e+02 1.50 4.722973104e+01 1.052983542e+02 1.063932214e+02 1.52 4.319115711e+01 9.800050440e+01 9.912593294e+01 1.54 3.944240961e+01 6.880522867e+01 9.231250373e+01 1.56 3.596416321e+01 6.369485873e+01 8.592557815e+01 1.58 3.273833486e+01 5.891502474e+01 7.993943318e+01 1.60 2.974800547e+01 5.444558021e+01 7.432988046e+01 1.62 2.697734651e+01 5.026757299e+01 6.907417434e+01 1.64 2.441155113e+01 4.636317527e+01 6.415092543e+01 1.66 2.203676961e+01 4.271561774e+01 5.954001954e+01 1.68 1.984004886e+01 3.930912755e+01 5.522254140e+01 1.70 1.780927566e+01 3.612886992e+01 5.118070314e+01 1.72 1.593312350e+01 3.316089312e+01 4.739777696e+01 1.74 1.420100267e+01 3.039207673e+01 4.385803195e+01 1.76 1.260301357e+01 2.781008283e+01 4.054667474e+01 1.78 1.112990282e+01 2.540331011e+01 2.818649954e+01 1.80 9.773022264e+00 2.316085061e+01 2.578897708e+01 1.82 8.524290410e+00 2.107244905e+01 2.354930076e+01 1.84 7.376156365e+00 1.912846441e+01 2.145804368e+01 1.86 6.321566006e+00 1.731983389e+01 1.950631629e+01 1.88 5.353930277e+00 1.563803891e+01 1.768573651e+01 1.90 4.467095476e+00 1.407507305e+01 1.598840146e+01 1.92 3.655315411e+00 1.262341194e+01 1.440686074e+01 1.94 2.913225304e+00 1.127598489e+01 1.293409120e+01 1.96 2.235817335e+00 1.002614811e+01 1.156347307e+01 1.98 1.618417730e+00 8.867659566e+00 1.028876746e+01 2.00 1.056665286e+00 7.794655299e+00 9.104095005e+00 2.02 5.464912583e-01 6.801627070e+00 8.003915817e+00 2.04 8.410050213e-02 5.883401370e+00 6.983010414e+00 2.06 -2.601437933e+00 5.035119624e+00 6.036461783e+00 2.08 -2.708763523e+00 4.252219561e+00 5.159638397e+00 2.10 -2.800008687e+00 3.530417673e+00 4.348178187e+00 2.12 -2.876504416e+00 2.865692693e+00 3.597973385e+00 2.14 -2.939487081e+00 2.254270045e+00 2.905156216e+00 2.16 -2.990104751e+00 1.692607201e+00 2.266085370e+00 2.18 -3.029423117e+00 -2.168268447e+00 1.677333237e+00 2.20 -3.058431014e+00 -2.410876037e+00 1.135673829e+00 2.22 -3.078045596e+00 -2.628408172e+00 6.380713902e-01 2.24 -1.736146591e+00 -2.822612447e+00 1.816696224e-01 2.26 -1.753180405e+00 -2.995129339e+00 -2.362184819e-01 2.28 -1.765949404e+00 -3.147498398e+00 -6.181202475e-01 2.30 -1.774777111e+00 -3.281164094e+00 -9.664123907e-01 2.32 -1.779967400e+00 -3.397481334e+00 -1.283329588e+00 2.34 -1.781805593e+00 -3.497720669e+00 -1.570972572e+00 2.36 -1.780559481e+00 -3.583073205e+00 -1.831315770e+00 2.38 -1.776480301e+00 -3.654655245e+00 -2.066214528e+00 2.40 -1.769803662e+00 -3.713512659e+00 -2.277411925e+00 2.42 -1.760750415e+00 -3.760625016e+00 -2.466545207e+00 2.44 -1.749527488e+00 -3.796909477e+00 -2.635151867e+00 2.46 -1.736328661e+00 -3.823224471e+00 -2.784675381e+00 2.48 -1.721335319e+00 -3.840373162e+00 -2.916470630e+00 2.50 -3.727159596e-01 -2.063096838e+00 -2.579273726e+00 2.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.60 0.000000000e+00 0.000000000e+00 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