# 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 = C3Si # 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 2.559369593e+03 nan nan 0.60 2.283175897e+03 nan nan 0.62 2.022941929e+03 nan nan 0.64 1.802703318e+03 2.474206342e+03 nan 0.66 1.607962531e+03 2.219229006e+03 2.448461193e+03 0.68 1.449547448e+03 1.993726552e+03 2.216416761e+03 0.70 1.282258106e+03 1.788647759e+03 1.967054969e+03 0.72 1.159901178e+03 1.623552108e+03 1.787714504e+03 0.74 1.039050550e+03 1.427595609e+03 1.608741322e+03 0.76 9.142637063e+02 1.300433902e+03 1.451098067e+03 0.78 8.308822081e+02 1.175910224e+03 1.324816790e+03 0.80 7.558214177e+02 1.073747468e+03 1.191455365e+03 0.82 6.801836961e+02 9.814396264e+02 1.090655939e+03 0.84 6.107309192e+02 8.767435753e+02 9.749080527e+02 0.86 5.570236672e+02 8.031613394e+02 8.944566220e+02 0.88 5.083910917e+02 7.363339250e+02 8.212986971e+02 0.90 4.546527944e+02 6.559397965e+02 7.498896314e+02 0.92 4.090538319e+02 6.025462054e+02 6.896722852e+02 0.94 3.560616770e+02 5.538389425e+02 6.347246519e+02 0.96 3.257609948e+02 5.093671768e+02 5.510747678e+02 0.98 2.981332604e+02 4.526810222e+02 5.079518866e+02 1.00 2.729287894e+02 3.964316837e+02 4.684132305e+02 1.02 2.499228371e+02 3.651218947e+02 4.321371622e+02 1.04 2.289129376e+02 3.363813593e+02 3.917486481e+02 1.06 2.097165433e+02 3.099865402e+02 3.617304695e+02 1.08 1.891788571e+02 2.857346904e+02 3.341256277e+02 1.10 1.618942393e+02 2.578111887e+02 3.087263076e+02 1.12 1.444463923e+02 2.377365622e+02 2.664610454e+02 1.14 1.321981669e+02 2.192612192e+02 2.462564328e+02 1.16 1.209727085e+02 2.022515077e+02 2.276154763e+02 1.18 1.106832266e+02 1.865856509e+02 2.104116441e+02 1.20 1.012505592e+02 1.721526236e+02 1.945292452e+02 1.22 9.260247076e+01 1.588511395e+02 1.798624441e+02 1.24 8.467301798e+01 1.465887409e+02 1.663143693e+02 1.26 7.261455473e+01 1.304077406e+02 1.432198931e+02 1.28 6.629557074e+01 1.203160113e+02 1.323877420e+02 1.30 6.049913020e+01 1.110003218e+02 1.223665532e+02 1.32 5.518228881e+01 8.373379864e+01 1.130942124e+02 1.34 4.183055699e+01 7.690759889e+01 1.045135706e+02 1.36 3.781756375e+01 7.060079013e+01 9.657202542e+01 1.38 3.414488221e+01 6.477466380e+01 8.922114037e+01 1.40 2.458530392e+01 5.939341113e+01 8.241629732e+01 1.42 2.187844415e+01 5.442390106e+01 7.611637977e+01 1.44 1.940828192e+01 4.983547563e+01 7.028348371e+01 1.46 1.428673893e+01 4.559976167e+01 4.576293869e+01 1.48 1.244775125e+01 4.169049719e+01 4.179658815e+01 1.50 1.077513385e+01 3.808337152e+01 3.812784119e+01 1.52 9.255489813e+00 3.475587782e+01 3.473561071e+01 1.54 7.876447599e+00 1.984546986e+01 3.160027268e+01 1.56 6.626584376e+00 1.768160112e+01 2.870356474e+01 1.58 5.495354989e+00 1.569498809e+01 2.602849191e+01 1.60 4.473026212e+00 1.387252505e+01 2.355923884e+01 1.62 3.550615868e+00 1.220203105e+01 2.128108830e+01 1.64 2.719836476e+00 1.067218611e+01 1.918034528e+01 1.66 1.973043074e+00 9.272471758e+00 1.724426643e+01 1.68 1.303184907e+00 7.993115656e+00 1.546099441e+01 1.70 7.037607175e-01 6.825039987e+00 1.381949676e+01 1.72 1.687773355e-01 5.759813392e+00 1.230950910e+01 1.74 -3.072886404e-01 4.789606182e+00 1.092148220e+01 1.76 -7.295263243e-01 3.907148617e+00 9.646532714e+00 1.78 -1.102623385e+00 3.105692041e+00 3.603082072e+00 1.80 -1.430896447e+00 2.378972677e+00 2.791108833e+00 1.82 -1.718319230e+00 1.721177897e+00 2.053088866e+00 1.84 -1.968548595e+00 1.126914811e+00 1.383484452e+00 1.86 -2.184948653e+00 5.911810018e-01 7.771402231e-01 1.88 -2.370613074e+00 1.093372681e-01 2.292578053e-01 1.90 -2.528385738e+00 -3.229177607e-01 -2.646278876e-01 1.92 -2.660879842e+00 -7.095712698e-01 -7.086708246e-01 1.94 -2.770495582e+00 -1.054318279e+00 -1.106734584e+00 1.96 -2.859436516e+00 -1.360582150e+00 -1.462411734e+00 1.98 -2.929724702e+00 -1.631533685e+00 -1.779041947e+00 2.00 -2.983214702e+00 -1.870108908e+00 -2.059728938e+00 2.02 -3.021606541e+00 -2.079025627e+00 -2.307356293e+00 2.04 -3.046457693e+00 -2.260798851e+00 -2.524602269e+00 2.06 -4.457561114e+00 -2.417755143e+00 -2.713953621e+00 2.08 -4.388295800e+00 -2.552045988e+00 -2.877718529e+00 2.10 -4.313800756e+00 -2.665660233e+00 -3.018038674e+00 2.12 -4.234844950e+00 -2.760435670e+00 -3.136900528e+00 2.14 -4.152128487e+00 -2.838069813e+00 -3.236145894e+00 2.16 -4.066287911e+00 -2.900129934e+00 -3.317481762e+00 2.18 -3.977901133e+00 -4.113750050e+00 -3.382489510e+00 2.20 -3.887491997e+00 -4.069939517e+00 -3.432633504e+00 2.22 -3.795534519e+00 -4.020346004e+00 -3.469269124e+00 2.24 -9.692511566e-01 -3.965670432e+00 -3.493650267e+00 2.26 -9.363425686e-01 -3.906556416e+00 -3.506936349e+00 2.28 -9.041953226e-01 -3.843594382e+00 -3.510198843e+00 2.30 -8.728234536e-01 -3.777325411e+00 -3.504427386e+00 2.32 -8.422371265e-01 -3.708244811e+00 -3.490535475e+00 2.34 -8.124430265e-01 -3.636805461e+00 -3.469365792e+00 2.36 -7.834447187e-01 -3.563420915e+00 -3.441695167e+00 2.38 -7.552429775e-01 -3.488468299e+00 -3.408239209e+00 2.40 -7.278360883e-01 -3.412291008e+00 -3.369656632e+00 2.42 -7.012201242e-01 -3.335201218e+00 -3.326553290e+00 2.44 -6.753891991e-01 -3.257482225e+00 -3.279485937e+00 2.46 -6.503356988e-01 -3.179390623e+00 -3.228965738e+00 2.48 -6.260504924e-01 -3.101158326e+00 -3.175461540e+00 2.50 -1.430172098e-01 -1.483036628e+00 -2.188563995e+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 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0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 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