# 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 = Si # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan 6.134481918e+03 nan nan nan nan 0.52 nan nan nan nan nan 5.347648429e+03 nan nan nan nan 0.54 nan nan nan nan nan 4.744619057e+03 nan nan 5.518888241e+03 nan 0.56 nan nan nan nan nan 4.232126851e+03 nan nan 4.861353022e+03 nan 0.58 nan 5.980893571e+03 nan nan nan 3.601614214e+03 6.105661996e+03 nan 4.285485014e+03 6.021304517e+03 0.60 nan 5.370630496e+03 nan nan nan 3.245961154e+03 5.451739307e+03 nan 3.848301323e+03 5.355282176e+03 0.62 nan 4.781455665e+03 nan nan nan 2.874340610e+03 4.822489534e+03 nan 3.444256524e+03 4.739840931e+03 0.64 nan 4.267293225e+03 5.795972740e+03 nan nan 2.582724586e+03 4.302510276e+03 5.998691772e+03 3.041623117e+03 4.288637845e+03 0.66 5.727631896e+03 3.840732772e+03 5.224180005e+03 5.714343833e+03 5.701821531e+03 2.341756808e+03 3.905087346e+03 5.377342079e+03 2.730738487e+03 3.899096487e+03 0.68 5.231329832e+03 3.498439447e+03 4.717020950e+03 5.179211854e+03 5.168109668e+03 2.100118908e+03 3.511787269e+03 4.835511020e+03 2.439541077e+03 3.442526801e+03 0.70 4.619314274e+03 3.083752526e+03 4.261017970e+03 4.670639223e+03 4.674596771e+03 1.855439072e+03 3.178040500e+03 4.330566356e+03 2.192281109e+03 3.085442777e+03 0.72 4.238401475e+03 2.820577487e+03 3.903625251e+03 4.255587525e+03 4.259046951e+03 1.691972624e+03 2.869269579e+03 3.932564725e+03 1.971486910e+03 2.823232766e+03 0.74 3.840228372e+03 2.535236826e+03 3.401150946e+03 3.840453824e+03 3.842895508e+03 1.486221519e+03 2.562875020e+03 3.573153095e+03 1.749104812e+03 2.568350247e+03 0.76 3.476158585e+03 2.268060157e+03 3.130333651e+03 3.484607805e+03 3.494208828e+03 1.360073284e+03 2.352426801e+03 3.248987228e+03 1.601416500e+03 2.298471888e+03 0.78 3.204344540e+03 2.084354838e+03 2.855123645e+03 3.177777429e+03 3.186630424e+03 1.216791514e+03 2.141932590e+03 2.993114976e+03 1.437877471e+03 2.112527668e+03 0.80 2.900027540e+03 1.917176268e+03 2.633669614e+03 2.904515933e+03 2.912738398e+03 1.116327715e+03 1.956740297e+03 2.704432215e+03 1.289085905e+03 1.885878394e+03 0.82 2.680314619e+03 1.722463810e+03 2.431517504e+03 2.656227471e+03 2.635497426e+03 1.025027004e+03 1.755050609e+03 2.479156109e+03 1.184558546e+03 1.738165949e+03 0.84 2.391147836e+03 1.555273264e+03 2.169878324e+03 2.413885664e+03 2.409413463e+03 9.032806103e+02 1.588959334e+03 2.238883882e+03 1.073905262e+03 1.526516919e+03 0.86 2.216360962e+03 1.435845041e+03 2.009027023e+03 2.236733354e+03 2.232710681e+03 8.316277279e+02 1.447507003e+03 2.073536328e+03 9.884982255e+02 1.410921646e+03 0.88 2.055792028e+03 1.326436657e+03 1.861415506e+03 2.045726632e+03 2.041861817e+03 7.661861287e+02 1.285698593e+03 1.921762017e+03 8.963416779e+02 1.304867447e+03 0.90 1.894278882e+03 1.198463289e+03 1.669598438e+03 1.892108259e+03 1.895590077e+03 6.466622296e+02 1.190511943e+03 1.773316334e+03 8.263401640e+02 1.177189290e+03 0.92 1.759798950e+03 1.078817646e+03 1.550422173e+03 1.757833714e+03 1.760943771e+03 5.973664716e+02 1.092123311e+03 1.608951830e+03 7.622312984e+02 1.090515721e+03 0.94 1.635904867e+03 9.528993030e+02 1.440575837e+03 1.620776035e+03 1.623603378e+03 5.520785433e+02 1.012437828e+03 1.456836248e+03 6.610141385e+02 1.010734722e+03 0.96 1.406553065e+03 8.839017184e+02 1.339258752e+03 1.436773266e+03 1.455020497e+03 5.104522646e+02 9.389895946e+02 1.315680306e+03 6.110831464e+02 9.372540806e+02 0.98 1.311520204e+03 8.201790067e+02 1.189391762e+03 1.324192580e+03 1.325933088e+03 4.721729108e+02 8.614550850e+02 1.225604912e+03 5.505340807e+02 8.695359753e+02 1.00 1.223415948e+03 7.613015487e+02 1.043057895e+03 1.219430048e+03 1.221171264e+03 4.057183879e+02 7.800960674e+02 1.120783355e+03 5.094994308e+02 8.070917139e+02 1.02 1.141693547e+03 7.068768646e+02 9.730831544e+02 1.138085601e+03 1.139714239e+03 3.758447674e+02 7.248360049e+02 1.045280204e+03 4.716729696e+02 7.494770012e+02 1.04 1.046200194e+03 6.565462429e+02 9.080695169e+02 1.047854768e+03 1.049509510e+03 3.482722929e+02 6.737186705e+02 9.752207516e+02 4.074853467e+02 6.427241092e+02 1.06 9.773766107e+02 6.099816864e+02 8.476422333e+02 9.634094668e+02 9.494424688e+02 3.228151797e+02 6.264124403e+02 8.897640564e+02 3.776812019e+02 5.981382187e+02 1.08 9.133945957e+02 5.532864215e+02 7.914565768e+02 9.005675717e+02 8.877406863e+02 2.993032499e+02 5.826139392e+02 8.310219510e+02 3.344660595e+02 5.568034747e+02 1.10 8.538870734e+02 4.853896485e+02 7.239119086e+02 8.420869162e+02 8.302868908e+02 2.630310254e+02 5.243312110e+02 7.763913206e+02 3.101298904e+02 5.184679098e+02 1.12 7.368605156e+02 4.362972789e+02 6.764350216e+02 7.408531906e+02 7.448458997e+02 2.440420064e+02 4.881968738e+02 6.848240269e+02 2.851875789e+02 4.202014160e+02 1.14 6.900384663e+02 4.061727689e+02 6.322126682e+02 6.937039089e+02 6.973693818e+02 2.264654434e+02 4.365232018e+02 6.406251170e+02 2.486216855e+02 3.918493767e+02 1.16 6.463139007e+02 3.781531850e+02 5.910085559e+02 6.496823789e+02 6.530508837e+02 2.101921374e+02 3.880341232e+02 5.993921552e+02 2.305503887e+02 3.654254170e+02 1.18 6.054704262e+02 3.520864356e+02 5.526045566e+02 6.085693062e+02 6.116682097e+02 1.951216246e+02 3.567492417e+02 5.609150327e+02 2.137803390e+02 3.407950628e+02 1.20 5.673076320e+02 3.278318976e+02 5.167992410e+02 5.701616568e+02 5.730157020e+02 1.811614588e+02 3.001987380e+02 5.249993841e+02 1.982167747e+02 3.178335256e+02 1.22 5.316398506e+02 3.052595146e+02 4.834065361e+02 5.342713914e+02 5.369029498e+02 1.682265553e+02 2.799696263e+02 4.720395683e+02 1.837719663e+02 2.964249809e+02 1.24 4.982950187e+02 2.842489676e+02 4.522544951e+02 5.007243030e+02 5.031536025e+02 1.562385880e+02 2.610782129e+02 4.421079033e+02 1.703646843e+02 2.764619030e+02 1.26 4.381381033e+02 2.515361580e+02 4.061229824e+02 4.480638699e+02 4.579896890e+02 1.451254383e+02 2.434354577e+02 4.043842999e+02 1.579197077e+02 2.424918912e+02 1.28 4.109704283e+02 2.342687637e+02 3.802552806e+02 4.202158780e+02 4.294613784e+02 1.348206882e+02 2.269583636e+02 3.788668112e+02 1.463673697e+02 2.261314275e+02 1.30 3.855118988e+02 2.181715949e+02 3.560747018e+02 3.941345825e+02 4.027573152e+02 1.252631575e+02 2.006707605e+02 3.549798492e+02 1.294594245e+02 2.108553833e+02 1.32 3.616509582e+02 2.031639674e+02 2.771128348e+02 3.560504124e+02 3.504498425e+02 9.405536107e+01 1.869729170e+02 3.326154223e+02 1.199425104e+02 1.965913382e+02 1.34 3.392836744e+02 1.611925825e+02 2.596565649e+02 3.340787365e+02 3.288737758e+02 8.741310572e+01 1.741713340e+02 3.116730276e+02 1.089654073e+02 1.832717979e+02 1.36 3.183131945e+02 1.499626067e+02 2.432676351e+02 3.134714249e+02 3.086296339e+02 8.122531133e+01 1.622079353e+02 2.920591076e+02 1.008926861e+02 1.708338516e+02 1.38 2.986492401e+02 1.394681933e+02 2.278806374e+02 2.941410115e+02 2.896327627e+02 7.546051794e+01 1.510284293e+02 2.736865474e+02 9.339194819e+01 1.592188539e+02 1.40 2.802076399e+02 1.150051440e+02 2.134342561e+02 2.760058908e+02 2.718041227e+02 7.008950154e+01 1.405820589e+02 2.399424262e+02 8.055630788e+01 1.483721289e+02 1.42 2.629098971e+02 1.067099972e+02 1.998710037e+02 2.589899067e+02 2.550698984e+02 6.508511076e+01 1.308213686e+02 2.249166360e+02 7.447064879e+01 1.382426960e+02 1.44 2.466827882e+02 9.895320457e+01 1.871369743e+02 2.430219712e+02 2.393611373e+02 6.042211573e+01 1.217019870e+02 1.713291529e+02 6.881345076e+01 1.287830146e+02 1.46 1.761210349e+02 8.682444466e+01 1.751816137e+02 1.794664380e+02 1.828118441e+02 5.607706827e+01 1.131824241e+02 1.603959353e+02 6.355512543e+01 1.035413343e+02 1.48 1.651128494e+02 8.031974644e+01 1.639575049e+02 1.682719725e+02 1.714310969e+02 5.202817242e+01 1.052238815e+02 1.501098606e+02 5.866813006e+01 9.631636037e+01 1.50 1.547435464e+02 7.424015055e+01 1.534201670e+02 1.577291401e+02 1.607147333e+02 4.825516470e+01 9.779007646e+01 1.404337696e+02 5.412682477e+01 8.955953788e+01 1.52 1.449771377e+02 6.855958243e+01 1.435278686e+02 1.478009756e+02 1.506248116e+02 4.473920315e+01 9.084707624e+01 1.313326211e+02 4.990733988e+01 8.324126251e+01 1.54 1.357796474e+02 6.325351356e+01 1.055124285e+02 1.357795388e+02 1.357794303e+02 1.767709619e+01 7.689862678e+01 1.227733702e+02 3.693878517e+01 7.733379624e+01 1.56 1.271189993e+02 5.829887152e+01 9.838110619e+01 1.271189001e+02 1.271188009e+02 1.592292197e+01 7.131022787e+01 1.147248536e+02 3.391204147e+01 7.181114894e+01 1.58 1.189649099e+02 5.367395527e+01 9.167624690e+01 1.189648194e+02 1.189647289e+02 1.428423420e+01 6.608916948e+01 1.071576828e+02 3.109680817e+01 6.664896755e+01 1.60 1.112887872e+02 4.935835529e+01 8.537378408e+01 1.112887049e+02 1.112886226e+02 1.275440256e+01 6.121219853e+01 1.000441413e+02 2.847910130e+01 6.182443230e+01 1.62 1.040636365e+02 4.533287825e+01 7.945096799e+01 1.040635619e+02 1.040634873e+02 1.132715307e+01 5.665751769e+01 9.335809040e+01 2.604584540e+01 5.731615971e+01 1.64 9.726397033e+01 4.157947611e+01 7.388629486e+01 9.726390287e+01 9.726383541e+01 9.996549595e+00 5.240469406e+01 8.707487797e+01 2.378481449e+01 5.310411164e+01 1.66 9.086572391e+01 3.808117925e+01 6.865943988e+01 9.086566316e+01 9.086560240e+01 8.756976364e+00 4.843457361e+01 8.117125430e+01 2.168457694e+01 4.916951024e+01 1.68 8.484617577e+01 3.482203350e+01 6.375119370e+01 8.484612129e+01 8.484606680e+01 7.603121314e+00 4.472920107e+01 7.155514958e+01 1.020921991e+01 4.549475834e+01 1.70 7.918387243e+01 3.178704073e+01 5.914340232e+01 7.918382379e+01 7.918377516e+01 6.529960323e+00 4.127174487e+01 6.656762756e+01 8.960337179e+00 4.206336485e+01 1.72 7.385855748e+01 2.896210293e+01 5.481891022e+01 7.385851430e+01 7.385847113e+01 5.532742214e+00 2.555505502e+01 6.188309768e+01 7.802822354e+00 3.885987497e+01 1.74 6.885110474e+01 2.633396951e+01 5.076150650e+01 6.885106666e+01 6.885102859e+01 4.606974538e+00 2.330454922e+01 5.748420819e+01 6.730905156e+00 3.586980485e+01 1.76 6.414345515e+01 2.389018760e+01 4.695587388e+01 6.414342182e+01 6.414338850e+01 3.748410070e+00 2.120498858e+01 5.335457565e+01 5.739157375e+00 3.307958037e+01 1.78 4.776419893e+01 2.161905527e+01 4.338754048e+01 4.776425088e+01 4.776430282e+01 2.953033997e+00 1.924721618e+01 4.165395319e+01 4.822473208e+00 1.273757051e+01 1.80 4.423150381e+01 1.950957743e+01 4.004283409e+01 4.423155399e+01 4.423160416e+01 2.217051754e+00 1.742260522e+01 3.843145720e+01 3.976050701e+00 1.135070271e+01 1.82 4.091134131e+01 1.755142428e+01 3.690883897e+01 4.091138978e+01 4.091143824e+01 1.536877484e+00 1.572302911e+01 3.540846782e+01 3.195374244e+00 1.005717964e+01 1.84 3.779201113e+01 1.573489220e+01 3.397335489e+01 3.779205794e+01 3.779210476e+01 9.091230830e-01 1.414083307e+01 3.257373436e+01 2.476198062e+00 8.851591143e+00 1.86 3.486242735e+01 1.405086680e+01 3.122485838e+01 3.486247257e+01 3.486251779e+01 3.305878071e-01 1.266880747e+01 2.991661020e+01 1.814530645e+00 7.728819269e+00 1.88 3.211208706e+01 1.249078827e+01 2.865246610e+01 3.211213075e+01 3.211217443e+01 -2.017515920e-01 1.130016252e+01 2.742702124e+01 1.206620050e+00 6.684023099e+00 1.90 2.953104058e+01 1.104661860e+01 2.624590007e+01 2.953108277e+01 2.953112497e+01 -6.907502256e-01 1.002850448e+01 2.509543604e+01 6.489400520e-01 5.712624340e+00 1.92 2.710986311e+01 9.710810749e+00 2.399545486e+01 2.710990387e+01 2.710994462e+01 -1.139103947e+00 8.847813203e+00 2.291283742e+01 1.381770740e-01 4.810293655e+00 1.94 2.483962789e+01 8.476279649e+00 2.189196649e+01 2.483966726e+01 2.483970663e+01 -1.549357778e+00 7.752420841e+00 2.087069560e+01 -3.287821412e-01 3.972937675e+00 1.96 2.271188069e+01 7.336374810e+00 1.992678297e+01 2.271191872e+01 2.271195675e+01 -1.923913899e+00 6.736991862e+00 1.896094262e+01 -7.548621538e-01 3.196686688e+00 1.98 2.071861549e+01 6.284854577e+00 1.809173650e+01 2.071865223e+01 2.071868896e+01 -2.265039234e+00 5.796504118e+00 1.717594816e+01 -1.142809791e+00 2.477882936e+00 2.00 1.885225155e+01 5.315861857e+00 1.637911705e+01 1.885228704e+01 1.885232252e+01 -2.574872640e+00 4.926230993e+00 1.550849657e+01 -1.495204489e+00 1.813069527e+00 2.02 1.710561148e+01 4.423901271e+00 1.478164746e+01 1.710564576e+01 1.710568004e+01 -2.855431733e+00 2.462294971e-01 1.395176506e+01 -1.814468037e+00 1.198979897e+00 2.04 1.547190050e+01 3.603817628e+00 1.329245980e+01 1.547193361e+01 1.547196672e+01 -3.108619357e+00 -2.486959413e-01 1.249930305e+01 -1.657407038e+00 6.325278144e-01 2.06 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