# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Purja-Pun-G-P-Mishin-Y--Si # implementation = ThreeBodyBondOrder_PPM_PurjaPunMishin_2017_Si__MO_566683736730_000 # 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 nan nan nan nan nan 0.58 nan nan nan nan nan 3.293193993e+03 nan nan nan nan 0.60 nan nan nan nan nan 2.915620640e+03 nan nan nan nan 0.62 nan nan nan nan nan 2.592465938e+03 nan nan 3.031160659e+03 nan 0.64 nan nan nan nan nan 2.314465023e+03 nan nan 2.702504463e+03 nan 0.66 nan nan nan nan nan 2.071273321e+03 nan nan 2.414796819e+03 nan 0.68 nan 3.048880647e+03 nan nan nan 1.855533715e+03 3.108418157e+03 nan 2.162266756e+03 3.059618163e+03 0.70 nan 2.736761994e+03 nan nan nan 1.662189649e+03 2.799871397e+03 nan 1.941138392e+03 2.758559936e+03 0.72 nan 2.470086884e+03 nan nan nan 1.497454699e+03 2.524829432e+03 nan 1.742018873e+03 2.487111010e+03 0.74 nan 2.231489306e+03 3.073077889e+03 nan nan 1.350185783e+03 2.276232893e+03 3.169667539e+03 1.569668614e+03 2.248905661e+03 0.76 3.091433640e+03 2.014234493e+03 2.782215375e+03 3.090213909e+03 3.090461639e+03 1.213608537e+03 2.062619824e+03 2.876336707e+03 1.412918507e+03 2.037797666e+03 0.78 2.810945490e+03 1.824984236e+03 2.528763925e+03 2.811356172e+03 2.812366933e+03 1.094830519e+03 1.871543685e+03 2.617111476e+03 1.277782177e+03 1.843023632e+03 0.80 2.565789190e+03 1.657907744e+03 2.306163616e+03 2.562986969e+03 2.563786093e+03 9.925364100e+02 1.696393128e+03 2.384595733e+03 1.152957587e+03 1.675567441e+03 0.82 2.339117615e+03 1.506785833e+03 2.105202748e+03 2.335934461e+03 2.333267712e+03 9.005164753e+02 1.542885364e+03 2.173884827e+03 1.043454931e+03 1.519413072e+03 0.84 2.139087334e+03 1.365510296e+03 1.923192031e+03 2.136752480e+03 2.134558035e+03 8.179824971e+02 1.400849459e+03 1.984954578e+03 9.471799206e+02 1.384627567e+03 0.86 1.951058763e+03 1.242678338e+03 1.751350936e+03 1.953143498e+03 1.952736333e+03 7.395772567e+02 1.274486256e+03 1.811109262e+03 8.588129844e+02 1.254604366e+03 0.88 1.789391484e+03 1.132811941e+03 1.603507314e+03 1.790875549e+03 1.790578618e+03 6.726120900e+02 1.160136348e+03 1.659111620e+03 7.793683623e+02 1.146088414e+03 0.90 1.639086582e+03 1.030310411e+03 1.463790020e+03 1.639602778e+03 1.640319594e+03 6.063393328e+02 1.055666915e+03 1.519470838e+03 7.091701286e+02 1.044009106e+03 0.92 1.505989192e+03 9.413081171e+02 1.343329368e+03 1.506097877e+03 1.506729215e+03 5.533073252e+02 9.653941932e+02 1.394229387e+03 6.457264799e+02 9.554111915e+02 0.94 1.384062439e+03 8.573620634e+02 1.231471713e+03 1.382401204e+03 1.382933420e+03 5.045141396e+02 8.818746165e+02 1.276976820e+03 5.868909007e+02 8.746853842e+02 0.96 1.273439408e+03 7.793185894e+02 1.131775493e+03 1.271897221e+03 1.272364501e+03 4.609771094e+02 8.077752337e+02 1.165574166e+03 5.319948023e+02 8.014592067e+02 0.98 1.161013409e+03 7.134571197e+02 1.040688395e+03 1.163990524e+03 1.165818922e+03 4.213892410e+02 7.402718642e+02 1.072576161e+03 4.857367013e+02 7.341548925e+02 1.00 1.070315431e+03 6.535494383e+02 9.514866740e+02 1.071064858e+03 1.071218042e+03 3.850730995e+02 6.775457732e+02 9.876877410e+02 4.419491998e+02 6.734725786e+02 1.02 9.865088778e+02 5.988587053e+02 8.701902688e+02 9.860155235e+02 9.861295229e+02 3.490589579e+02 6.195676650e+02 9.072370747e+02 4.036022896e+02 6.174198037e+02 1.04 9.082665301e+02 5.488957869e+02 8.019545552e+02 9.080205177e+02 9.077784439e+02 3.196263989e+02 5.682830179e+02 8.361337277e+02 3.690047779e+02 5.607604767e+02 1.06 8.385975161e+02 5.026075475e+02 7.393156585e+02 8.383828874e+02 8.381699031e+02 2.927497287e+02 5.217995102e+02 7.711188727e+02 3.344107565e+02 5.154550313e+02 1.08 7.736013857e+02 4.607405493e+02 6.809216006e+02 7.724248755e+02 7.709338164e+02 2.677501433e+02 4.790286613e+02 7.087564000e+02 3.058356303e+02 4.731525064e+02 1.10 7.148500054e+02 4.212457624e+02 6.281987703e+02 7.137977911e+02 7.124884871e+02 2.453738046e+02 4.399976057e+02 6.542330540e+02 2.783501892e+02 4.352429862e+02 1.12 6.607442210e+02 3.836508083e+02 5.783155491e+02 6.594755506e+02 6.583226199e+02 2.233201983e+02 4.022529820e+02 6.040546996e+02 2.546735384e+02 4.004491852e+02 1.14 6.045520432e+02 3.503159097e+02 5.331554169e+02 6.050663507e+02 6.056743406e+02 2.040066398e+02 3.697579266e+02 5.537323524e+02 2.329309161e+02 3.618256657e+02 1.16 5.593867035e+02 3.216780280e+02 4.923285286e+02 5.598314607e+02 5.603529575e+02 1.871129720e+02 3.381423904e+02 5.116845243e+02 2.116638046e+02 3.332999994e+02 1.18 5.176817541e+02 2.950053903e+02 4.546951747e+02 5.180666025e+02 5.185139884e+02 1.716029430e+02 3.090855556e+02 4.724655135e+02 1.938486453e+02 3.070421177e+02 1.20 4.791541723e+02 2.703385498e+02 4.199906843e+02 4.793280720e+02 4.797117651e+02 1.573559622e+02 2.840220557e+02 4.362873187e+02 1.773525985e+02 2.828632515e+02 1.22 4.421534271e+02 2.482596409e+02 3.879738712e+02 4.428322959e+02 4.433356250e+02 1.442625682e+02 2.584102360e+02 4.029356033e+02 1.620760236e+02 2.605914051e+02 1.24 4.094629455e+02 2.279470281e+02 3.584247885e+02 4.100411492e+02 4.104708783e+02 1.322233522e+02 2.379952549e+02 3.706625592e+02 1.482203843e+02 2.400697348e+02 1.26 3.792057813e+02 2.092556699e+02 3.304901140e+02 3.795371869e+02 3.797431526e+02 1.211479992e+02 2.190631914e+02 3.428511402e+02 1.357198170e+02 2.211551028e+02 1.28 3.483210004e+02 1.906557183e+02 3.027986327e+02 3.491480070e+02 3.500520856e+02 1.105291919e+02 2.014990005e+02 3.161701880e+02 1.242404660e+02 2.021375623e+02 1.30 3.227062189e+02 1.749854437e+02 2.799437927e+02 3.234428165e+02 3.242438597e+02 1.012124275e+02 1.855338839e+02 2.922420842e+02 1.136968200e+02 1.862219767e+02 1.32 2.987223138e+02 1.605528010e+02 2.587941980e+02 2.994407962e+02 3.001529420e+02 9.262448388e+01 1.697032179e+02 2.703345541e+02 1.029970483e+02 1.708162100e+02 1.34 2.767458341e+02 1.472587784e+02 2.337129894e+02 2.760095500e+02 2.752679807e+02 8.181899402e+01 1.562127452e+02 2.500446575e+02 9.399321567e+01 1.573735157e+02 1.36 2.563632171e+02 1.318756482e+02 2.162055228e+02 2.555339169e+02 2.546995044e+02 7.481909655e+01 1.437546160e+02 2.309810402e+02 8.569383282e+01 1.449566517e+02 1.38 2.374553061e+02 1.207574838e+02 1.999688795e+02 2.367293414e+02 2.359983392e+02 6.835034443e+01 1.322486209e+02 2.136070313e+02 7.809040163e+01 1.334856810e+02 1.40 2.199123781e+02 1.102833147e+02 1.847269000e+02 2.192777473e+02 2.186381823e+02 6.213206610e+01 1.213538562e+02 1.975048323e+02 7.133665102e+01 1.228871289e+02 1.42 2.036333301e+02 9.952711873e+01 1.707834976e+02 2.030793056e+02 2.025204743e+02 5.663939375e+01 1.115749895e+02 1.807483996e+02 6.429105863e+01 1.130934297e+02 1.44 1.877506051e+02 9.099569806e+01 1.578466321e+02 1.874628137e+02 1.871698294e+02 5.155975058e+01 1.025394816e+02 1.666149076e+02 5.865084818e+01 1.031946895e+02 1.46 1.738368497e+02 8.330600060e+01 1.458429232e+02 1.735837621e+02 1.733257335e+02 4.686210905e+01 9.389689179e+01 1.502060143e+02 5.319765407e+01 9.494911124e+01 1.48 1.553893651e+02 7.568045203e+01 1.347045794e+02 1.558559762e+02 1.563190861e+02 4.251807118e+01 8.591725608e+01 1.389331310e+02 4.844984710e+01 8.530696346e+01 1.50 1.439634707e+02 6.918075129e+01 1.243689443e+02 1.443848719e+02 1.448029965e+02 3.850162599e+01 7.886290250e+01 1.284574911e+02 4.407690064e+01 7.843749830e+01 1.52 1.333306727e+02 6.318172747e+01 1.147780809e+02 1.337111277e+02 1.340885222e+02 3.478892679e+01 7.226622097e+01 1.187226984e+02 4.004941458e+01 7.207646502e+01 1.54 1.234358531e+02 5.764583030e+01 1.058783911e+02 1.237791897e+02 1.241196730e+02 3.135808647e+01 6.577331544e+01 1.096764528e+02 3.634036896e+01 6.618621649e+01 1.56 1.142278294e+02 5.253834209e+01 9.434301923e+01 1.142814793e+02 1.143321344e+02 2.445086438e+01 5.925917266e+01 1.010136129e+02 3.292492439e+01 6.073195836e+01 1.58 1.056590607e+02 4.782715939e+01 8.698585887e+01 1.057072033e+02 1.057525617e+02 2.188065940e+01 5.426049621e+01 9.323467109e+01 2.843843662e+01 5.568152617e+01 1.60 9.768537729e+01 4.348259187e+01 8.015353204e+01 9.772842694e+01 9.776889283e+01 1.951003096e+01 4.963663229e+01 8.600517344e+01 2.566708439e+01 5.100518052e+01 1.62 8.990694782e+01 3.931559123e+01 7.359088845e+01 9.003551359e+01 9.016146864e+01 1.732484337e+01 4.536006703e+01 7.916629612e+01 2.311415112e+01 4.641918161e+01 1.64 8.304684872e+01 3.564437629e+01 6.772774601e+01 8.315998640e+01 8.327072315e+01 1.531192570e+01 4.140532871e+01 7.293789262e+01 2.076302937e+01 4.243959848e+01 1.66 7.666218905e+01 3.226097339e+01 6.228343632e+01 7.676146087e+01 7.685852739e+01 1.345900022e+01 3.774883233e+01 6.715023288e+01 1.843381073e+01 3.875465067e+01 1.68 7.072054318e+01 2.914392080e+01 5.652284006e+01 7.061085144e+01 7.049967218e+01 1.138736654e+01 3.418350607e+01 6.177274198e+01 1.645822123e+01 3.534285238e+01 1.70 6.519172709e+01 2.627334485e+01 5.191627677e+01 6.509291393e+01 6.499273364e+01 9.866184709e+00 3.107898950e+01 5.620335147e+01 1.459625126e+01 3.218431384e+01 1.72 6.004763951e+01 2.319130414e+01 4.763735916e+01 5.995846729e+01 5.986803923e+01 8.467601043e+00 2.821006631e+01 5.161043893e+01 1.131977232e+01 2.926062012e+01 1.74 5.526211488e+01 2.080872093e+01 4.366372430e+01 5.518149164e+01 5.509971525e+01 7.182940575e+00 2.349109922e+01 4.734440196e+01 9.909145229e+00 2.655471939e+01 1.76 5.081078698e+01 1.861632609e+01 3.997452150e+01 5.073775028e+01 5.066365509e+01 6.004085311e+00 2.121005799e+01 4.338269306e+01 8.613006562e+00 2.405081963e+01 1.78 4.667096244e+01 1.638676928e+01 3.655030927e+01 4.660466481e+01 4.653739586e+01 4.923441787e+00 1.910240297e+01 3.946144131e+01 7.422880117e+00 2.173429349e+01 1.80 4.094588253e+01 1.455776566e+01 3.337295951e+01 4.089034159e+01 4.083432333e+01 3.933911066e+00 1.715572657e+01 3.481140647e+01 6.194851682e+00 1.624746568e+01 1.82 3.750716285e+01 1.287702444e+01 3.042556834e+01 3.745652684e+01 3.740546260e+01 3.028860750e+00 1.535850137e+01 3.175894275e+01 5.206903740e+00 1.450641157e+01 1.84 3.431035829e+01 1.133355595e+01 2.769237314e+01 3.426405493e+01 3.421736703e+01 2.202098656e+00 1.370001699e+01 2.847290207e+01 4.301910607e+00 1.289569152e+01 1.86 3.067742598e+01 9.856343594e+00 2.515867538e+01 3.071693605e+01 3.075666876e+01 1.447847886e+00 1.217032164e+01 2.589430506e+01 3.473716813e+00 1.106353414e+01 1.88 2.798926913e+01 8.565363626e+00 2.281076870e+01 2.802320611e+01 2.805734024e+01 7.607230750e-01 1.076016785e+01 2.350067171e+01 2.716611169e+00 9.718762878e+00 1.90 2.548956936e+01 7.382322373e+00 2.063587197e+01 2.551852873e+01 2.554766217e+01 1.357076670e-01 9.460962195e+00 2.127963703e+01 2.025294275e+00 8.476083927e+00 1.92 2.316598165e+01 6.299152982e+00 1.862206690e+01 2.319050079e+01 2.321517318e+01 -4.318678670e-01 8.264718667e+00 1.921964482e+01 1.394848528e+00 7.328465487e+00 1.94 2.100695328e+01 5.308368301e+00 1.675823995e+01 2.102751677e+01 2.104821473e+01 -9.463469428e-01 7.164015399e+00 1.730989483e+01 8.207104053e-01 6.269355292e+00 1.96 1.900167308e+01 4.403019802e+00 1.503402815e+01 1.901871744e+01 1.903587943e+01 -1.411766932e+00 5.953914466e+00 1.554029349e+01 2.986448480e-01 5.292647519e+00 1.98 1.714002385e+01 3.576659402e+00 1.298473175e+01 1.712743081e+01 1.711483777e+01 -2.044076477e+00 5.040297015e+00 1.390140777e+01 -5.229154211e-01 4.392652012e+00 2.00 1.541253797e+01 2.823303975e+00 1.155406837e+01 1.540017649e+01 1.538781500e+01 -2.390590536e+00 4.201600011e+00 1.238442212e+01 -9.271452551e-01 3.564065642e+00 2.02 1.381035581e+01 2.137402376e+00 1.023204929e+01 1.379822335e+01 1.378609089e+01 -2.702786342e+00 3.432406450e+00 1.098109826e+01 -1.292262774e+00 2.801945658e+00 2.04 1.232518676e+01 1.513804786e+00 9.011207036e+00 1.231328083e+01 1.230137489e+01 -2.983134992e+00 1.743579020e+00 9.683737508e+00 -1.621226445e+00 2.101684896e+00 2.06 1.094927291e+01 9.477342250e-01 7.884569561e+00 1.093759102e+01 1.092590913e+01 -3.233945516e+00 1.159864705e+00 8.485145713e+00 -1.916785564e+00 1.458988699e+00 2.08 9.675354926e+00 -4.842701348e-01 6.845627809e+00 9.663894605e+00 9.652434284e+00 -3.457375132e+00 6.268194949e-01 7.378600359e+00 -2.469248867e+00 8.698534411e-01 2.10 8.496640191e+00 -8.611317411e-01 5.888305360e+00 8.485398984e+00 8.474157778e+00 -3.655438863e+00 1.407874928e-01 6.357819896e+00 -2.670625313e+00 3.305465389e-01 2.12 7.406772987e+00 -1.200118298e+00 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