# 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 = 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 2022-05-24 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 nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan 4.359769427e+03 nan nan nan nan 0.58 nan nan nan nan nan 3.857592922e+03 nan nan 4.529189276e+03 nan 0.60 nan nan nan nan nan 3.430875139e+03 nan nan 4.024645792e+03 nan 0.62 nan nan nan nan nan 3.072121881e+03 nan nan 3.585136297e+03 nan 0.64 nan 4.478663353e+03 nan nan nan 2.743637849e+03 nan nan 3.196801091e+03 nan 0.66 nan 4.024030504e+03 nan nan nan 2.439003415e+03 4.105853910e+03 nan 2.860743071e+03 4.038066762e+03 0.68 nan 3.624891838e+03 nan nan nan 2.174053672e+03 3.699258210e+03 nan 2.574812880e+03 3.626348219e+03 0.70 nan 3.272093968e+03 4.429362189e+03 nan nan 1.953420771e+03 3.328974574e+03 nan 2.322159802e+03 3.264415982e+03 0.72 4.442704631e+03 2.954280667e+03 4.023074081e+03 4.442873641e+03 4.443875018e+03 1.764681893e+03 2.999134497e+03 4.154555430e+03 2.092804803e+03 2.959926748e+03 0.74 4.044882409e+03 2.677519678e+03 3.663727051e+03 4.038390288e+03 4.034801379e+03 1.600928411e+03 2.717319142e+03 3.781315157e+03 1.888112962e+03 2.694409028e+03 0.76 3.691219024e+03 2.430063937e+03 3.334740624e+03 3.679640810e+03 3.674629724e+03 1.450101585e+03 2.473451892e+03 3.441510489e+03 1.707998359e+03 2.444408027e+03 0.78 3.365680696e+03 2.206323630e+03 3.041032318e+03 3.359899541e+03 3.356588103e+03 1.310365596e+03 2.252479415e+03 3.131070512e+03 1.545914730e+03 2.212381319e+03 0.80 3.063638621e+03 2.004076771e+03 2.780002073e+03 3.070162813e+03 3.070565011e+03 1.187278320e+03 2.049472375e+03 2.850771174e+03 1.400070700e+03 2.009814296e+03 0.82 2.793124132e+03 1.825635848e+03 2.531351825e+03 2.805263501e+03 2.808154789e+03 1.076202915e+03 1.863291290e+03 2.602559393e+03 1.267303101e+03 1.836823188e+03 0.84 2.559868743e+03 1.663265703e+03 2.301631478e+03 2.566554668e+03 2.570219115e+03 9.758333491e+02 1.697898946e+03 2.383225664e+03 1.148568170e+03 1.680604976e+03 0.86 2.351509911e+03 1.515132584e+03 2.098111083e+03 2.352024528e+03 2.355984374e+03 8.834046855e+02 1.554023685e+03 2.186841566e+03 1.042582305e+03 1.536989691e+03 0.88 2.161900627e+03 1.386479943e+03 1.929495340e+03 2.159099146e+03 2.162785036e+03 8.041016513e+02 1.427589958e+03 2.008479151e+03 9.470588009e+02 1.403316685e+03 0.90 1.989584791e+03 1.273562854e+03 1.782897059e+03 1.984141794e+03 1.984748201e+03 7.362066869e+02 1.308405506e+03 1.846605298e+03 8.618218189e+02 1.282043953e+03 0.92 1.831448634e+03 1.167377878e+03 1.646860073e+03 1.825033230e+03 1.821499834e+03 6.749583337e+02 1.196506985e+03 1.696510414e+03 7.864687181e+02 1.171599154e+03 0.94 1.683106188e+03 1.067529376e+03 1.517047735e+03 1.680776095e+03 1.675084939e+03 6.172182863e+02 1.093387515e+03 1.559099119e+03 7.208053949e+02 1.068097698e+03 0.96 1.549335991e+03 9.779211091e+02 1.395795785e+03 1.550331825e+03 1.545226236e+03 5.632155802e+02 9.981692598e+02 1.437151892e+03 6.610892281e+02 9.758892303e+02 0.98 1.428928022e+03 8.991373279e+02 1.282882666e+03 1.431780110e+03 1.429308686e+03 5.108919494e+02 9.107145369e+02 1.328704140e+03 6.061823792e+02 8.920388139e+02 1.00 1.324205879e+03 8.276567930e+02 1.181219023e+03 1.325307518e+03 1.324697184e+03 4.618666622e+02 8.314839030e+02 1.231356759e+03 5.569182325e+02 8.191370464e+02 1.02 1.231556475e+03 7.584852376e+02 1.090299899e+03 1.229399099e+03 1.229933711e+03 4.173441860e+02 7.619274150e+02 1.139011545e+03 5.123427689e+02 7.554071958e+02 1.04 1.141578456e+03 6.908957406e+02 1.008577037e+03 1.139252309e+03 1.141203421e+03 3.782328035e+02 7.020722964e+02 1.047573097e+03 4.696670130e+02 6.978629419e+02 1.06 1.051284727e+03 6.286205907e+02 9.360677864e+02 1.051796645e+03 1.055307945e+03 3.471759255e+02 6.500833578e+02 9.600394468e+02 4.284423398e+02 6.471574502e+02 1.08 9.642208469e+02 5.739506178e+02 8.671209760e+02 9.678616637e+02 9.720771523e+02 3.216400319e+02 6.019576588e+02 8.805059643e+02 3.892553566e+02 6.017466676e+02 1.10 8.840884995e+02 5.280654330e+02 7.971805612e+02 8.898222637e+02 8.940059975e+02 2.961586200e+02 5.562754874e+02 8.113556776e+02 3.540892139e+02 5.597547241e+02 1.12 8.145863357e+02 4.900088268e+02 7.284753368e+02 8.203572217e+02 8.236742199e+02 2.708942238e+02 5.134173275e+02 7.516674780e+02 3.240382646e+02 5.191827846e+02 1.14 7.573535636e+02 4.557512618e+02 6.646852995e+02 7.602975142e+02 7.620927739e+02 2.468157967e+02 4.738915385e+02 6.991035204e+02 2.971076948e+02 4.781006025e+02 1.16 7.057461959e+02 4.238868780e+02 6.098108783e+02 7.057307982e+02 7.059089441e+02 2.249831566e+02 4.384819836e+02 6.502441987e+02 2.716922581e+02 4.380162074e+02 1.18 6.577009142e+02 3.935101725e+02 5.646575723e+02 6.555121382e+02 6.539678102e+02 2.061900350e+02 4.073006018e+02 6.043511061e+02 2.472853237e+02 4.005895784e+02 1.20 6.136418859e+02 3.635563227e+02 5.259641531e+02 6.098030167e+02 6.062316404e+02 1.899774150e+02 3.784762606e+02 5.621128315e+02 2.240843516e+02 3.674508391e+02 1.22 5.729513581e+02 3.337686473e+02 4.900473202e+02 5.677824588e+02 5.626232666e+02 1.746880376e+02 3.508462869e+02 5.223862959e+02 2.031208012e+02 3.390856502e+02 1.24 5.326574792e+02 3.045305203e+02 4.562919938e+02 5.273681354e+02 5.220788555e+02 1.602252898e+02 3.245074596e+02 4.835903594e+02 1.847417727e+02 3.122513019e+02 1.26 4.926426821e+02 2.770204219e+02 4.250289801e+02 4.886807452e+02 4.847188347e+02 1.469747323e+02 2.987648789e+02 4.467822859e+02 1.681116314e+02 2.849154531e+02 1.28 4.541715593e+02 2.525242006e+02 3.964880392e+02 4.522391118e+02 4.503066569e+02 1.352664596e+02 2.736864727e+02 4.130013018e+02 1.529948598e+02 2.581259007e+02 1.30 4.186253728e+02 2.316308259e+02 3.707117280e+02 4.185448401e+02 4.184642907e+02 1.252631575e+02 2.498007130e+02 3.822568994e+02 1.395052876e+02 2.332082636e+02 1.32 3.873390200e+02 2.142379334e+02 3.470478151e+02 3.885587728e+02 3.897785213e+02 1.163964774e+02 2.265760533e+02 3.549239634e+02 1.273428329e+02 2.117219253e+02 1.34 3.612324309e+02 1.990061907e+02 3.249403489e+02 3.628890063e+02 3.645455871e+02 1.081687011e+02 2.041495637e+02 3.305342221e+02 1.167906836e+02 1.950868913e+02 1.36 3.386360899e+02 1.852008857e+02 3.041603434e+02 3.402323117e+02 3.418285379e+02 1.005319456e+02 1.837161411e+02 3.077897123e+02 1.078629185e+02 1.818077360e+02 1.38 3.162082336e+02 1.717584487e+02 2.839827898e+02 3.180768240e+02 3.199454200e+02 9.344206390e+01 1.661651107e+02 2.856914864e+02 9.989561131e+01 1.687379406e+02 1.40 2.940932030e+02 1.587341503e+02 2.644866487e+02 2.965120703e+02 2.989309471e+02 8.685834356e+01 1.511868449e+02 2.646304819e+02 9.248869021e+01 1.559285713e+02 1.42 2.727388752e+02 1.463214464e+02 2.456158853e+02 2.757719014e+02 2.788049428e+02 8.061525262e+01 1.384840132e+02 2.450760095e+02 8.539877512e+01 1.436087591e+02 1.44 2.526227542e+02 1.347231150e+02 2.259498130e+02 2.557362387e+02 2.588497426e+02 7.400615990e+01 1.278253005e+02 2.274373905e+02 7.856044735e+01 1.320333527e+02 1.46 2.342065914e+02 1.237261891e+02 2.059225564e+02 2.367966327e+02 2.393866951e+02 6.713794011e+01 1.178896482e+02 2.119439411e+02 7.197039631e+01 1.214549843e+02 1.48 2.178623351e+02 1.128795877e+02 1.863170033e+02 2.194039208e+02 2.209455247e+02 6.026785312e+01 1.084411771e+02 1.980078817e+02 6.571738250e+01 1.120774229e+02 1.50 2.037645266e+02 1.024929929e+02 1.679685960e+02 2.039013651e+02 2.040382137e+02 5.366000141e+01 9.963856979e+01 1.853377145e+02 5.990793323e+01 1.039938044e+02 1.52 1.911807533e+02 9.224404957e+01 1.513447899e+02 1.899765116e+02 1.887722699e+02 4.760711319e+01 9.162834201e+01 1.732222131e+02 5.453982108e+01 9.679856001e+01 1.54 1.793685159e+02 8.196292085e+01 1.369447695e+02 1.772608959e+02 1.751532679e+02 4.244273858e+01 8.451339684e+01 1.612591659e+02 4.957171558e+01 9.007922054e+01 1.56 1.682758972e+02 7.206505324e+01 1.256951392e+02 1.658269887e+02 1.633780685e+02 3.847099047e+01 7.830859786e+01 1.491389315e+02 4.505844190e+01 8.380332754e+01 1.58 1.567983841e+02 6.301887801e+01 1.173415422e+02 1.545701518e+02 1.523419113e+02 3.556439594e+01 7.265567099e+01 1.363590599e+02 4.087485659e+01 7.759462565e+01 1.60 1.443598991e+02 5.544457860e+01 1.096611886e+02 1.425330126e+02 1.407061257e+02 3.291319288e+01 6.737839210e+01 1.233295409e+02 3.703882304e+01 7.125462518e+01 1.62 1.313737401e+02 4.934462323e+01 1.024527229e+02 1.300574280e+02 1.287411232e+02 3.044281045e+01 6.245246562e+01 1.104805350e+02 3.354269473e+01 6.492233326e+01 1.64 1.182411241e+02 4.392386493e+01 9.568761374e+01 1.175179744e+02 1.167948363e+02 2.814102688e+01 5.785516306e+01 9.829805483e+01 3.042677430e+01 5.874957286e+01 1.66 1.053702009e+02 3.934729789e+01 8.928803334e+01 1.052992316e+02 1.052282722e+02 2.596660598e+01 5.350841231e+01 8.740508310e+01 2.771072570e+01 5.289985296e+01 1.68 9.326309396e+01 3.552791909e+01 8.260501039e+01 9.380580396e+01 9.434851764e+01 2.354830794e+01 4.922368096e+01 7.826039913e+01 2.517145327e+01 4.754698407e+01 1.70 8.263221126e+01 3.206760469e+01 7.557763298e+01 8.363329426e+01 8.463437375e+01 2.085918026e+01 4.503081807e+01 7.088302990e+01 2.259601327e+01 4.286109280e+01 1.72 7.436059684e+01 2.900205970e+01 6.837937429e+01 7.550794528e+01 7.665528578e+01 1.798394931e+01 4.098494960e+01 6.552480506e+01 2.003135819e+01 3.897171441e+01 1.74 6.885110474e+01 2.633396951e+01 6.119230707e+01 6.975909698e+01 7.066708162e+01 1.497043928e+01 3.714531826e+01 6.093238056e+01 1.754479098e+01 3.586980485e+01 1.76 6.414345515e+01 2.389018760e+01 5.422003171e+01 6.474863096e+01 6.535380104e+01 1.182792417e+01 3.357206865e+01 5.662168742e+01 1.520208222e+01 3.307958037e+01 1.78 5.971855721e+01 2.161905527e+01 4.771152480e+01 6.006205315e+01 6.040554545e+01 8.559538039e+00 3.032138945e+01 5.257636282e+01 1.306772491e+01 3.047647986e+01 1.80 5.556031078e+01 1.950957743e+01 4.197350229e+01 5.570709984e+01 5.585388719e+01 5.263667771e+00 2.743762532e+01 4.878097454e+01 1.120361853e+01 2.804858041e+01 1.82 5.165351412e+01 1.755142428e+01 3.732762622e+01 5.168437134e+01 5.171522816e+01 2.360553714e+00 2.494301519e+01 4.515800619e+01 9.617704237e+00 2.578470765e+01 1.84 4.798381379e+01 1.573489220e+01 3.397335489e+01 4.798379637e+01 4.798377895e+01 9.091230830e-01 2.280279519e+01 4.164821068e+01 8.195941035e+00 2.367438868e+01 1.86 4.453765749e+01 1.405086680e+01 3.122485838e+01 4.453764336e+01 4.453762924e+01 3.305878071e-01 2.075572781e+01 3.826823440e+01 6.840387391e+00 2.170780797e+01 1.88 4.130224944e+01 1.249078827e+01 2.865246610e+01 4.130223837e+01 4.130222730e+01 -2.017515920e-01 1.858672993e+01 3.503855332e+01 5.447514230e+00 1.987576610e+01 1.90 3.826550837e+01 1.104661860e+01 2.624590007e+01 3.826550013e+01 3.826549188e+01 -6.907502256e-01 1.634250004e+01 3.198171713e+01 4.047151110e+00 1.816964106e+01 1.92 3.537296265e+01 9.710810749e+00 2.399545486e+01 3.537295870e+01 3.537295474e+01 -1.139103947e+00 1.408045361e+01 2.909224598e+01 2.669444391e+00 1.652935203e+01 1.94 3.241412531e+01 8.476279649e+00 2.189196649e+01 3.241413441e+01 3.241414352e+01 -1.549357778e+00 1.185516285e+01 2.625676312e+01 1.354258489e+00 1.471293229e+01 1.96 2.940060733e+01 7.336374810e+00 1.992678297e+01 2.940063533e+01 2.940066334e+01 -1.923913899e+00 9.720772177e+00 2.350034293e+01 1.638492132e-01 1.275285243e+01 1.98 2.638033235e+01 6.284854577e+00 1.809173650e+01 2.638037974e+01 2.638042713e+01 -2.265039234e+00 7.736981971e+00 2.086999276e+01 -8.104952006e-01 1.071527506e+01 2.00 2.340458352e+01 5.315861857e+00 1.637911705e+01 2.340464566e+01 2.340470780e+01 -2.574872640e+00 5.974876322e+00 1.841173080e+01 -1.467643644e+00 8.652487587e+00 2.02 2.052958415e+01 4.423901271e+00 1.478164746e+01 2.052965292e+01 2.052972169e+01 -2.855431733e+00 4.514449794e+00 1.611435461e+01 -1.814468037e+00 6.601170879e+00 2.04 1.781844135e+01 3.603817628e+00 1.329245980e+01 1.781850770e+01 1.781857405e+01 -3.108619357e+00 3.424858767e+00 1.396559910e+01 -2.102873783e+00 4.590723314e+00 2.06 1.534096204e+01 2.850775654e+00 1.190507307e+01 1.534101884e+01 1.534107565e+01 -3.336229722e+00 2.693518949e+00 1.200813214e+01 -2.362555292e+00 2.666620149e+00 2.08 1.316810651e+01 2.160240911e+00 1.061337200e+01 1.316815081e+01 1.316819511e+01 -3.539954221e+00 2.062178633e+00 1.028120023e+01 -2.595514534e+00 9.288533006e-01 2.10 1.135906637e+01 1.527961818e+00 9.411587092e+00 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