# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Purja-Pun-G-P-Mishin-Y--Si # implementation = 2017--Purja-Pun-G-P--Si--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 nan nan nan nan nan 0.58 nan nan nan nan nan 3.299748378e+03 nan nan nan nan 0.60 nan nan nan nan nan 2.927596697e+03 nan nan nan nan 0.62 nan nan nan nan nan 2.604191944e+03 nan nan 3.034753391e+03 nan 0.64 nan nan nan nan nan 2.320901006e+03 nan nan 2.705980162e+03 nan 0.66 nan nan nan nan nan 2.072067507e+03 nan nan 2.418620419e+03 nan 0.68 nan 3.048250999e+03 nan nan nan 1.853934049e+03 3.110368337e+03 nan 2.166558723e+03 3.066946166e+03 0.70 nan 2.742363682e+03 nan nan nan 1.662852025e+03 2.799284205e+03 nan 1.944332558e+03 2.761706319e+03 0.72 nan 2.471480238e+03 nan nan nan 1.494780054e+03 2.524160592e+03 nan 1.747565878e+03 2.492104180e+03 0.74 nan 2.230970851e+03 3.074593972e+03 nan nan 1.345904780e+03 2.280587191e+03 3.173870163e+03 1.572943710e+03 2.252571641e+03 0.76 3.094085875e+03 2.016799564e+03 2.790003795e+03 3.093268595e+03 3.092790498e+03 1.213363661e+03 2.064203547e+03 2.880600468e+03 1.417722527e+03 2.038601713e+03 0.78 2.814261756e+03 1.825612015e+03 2.535139951e+03 2.814088439e+03 2.813786082e+03 1.095101073e+03 1.870938834e+03 2.617862619e+03 1.279419521e+03 1.847191586e+03 0.80 2.562971886e+03 1.654556763e+03 2.306151017e+03 2.563479925e+03 2.563455318e+03 9.894525670e+02 1.697640095e+03 2.382320735e+03 1.155879622e+03 1.676100510e+03 0.82 2.337300767e+03 1.501195472e+03 2.100045004e+03 2.338032439e+03 2.338219432e+03 8.949705094e+02 1.542126427e+03 2.171012443e+03 1.045364643e+03 1.523008760e+03 0.84 2.134516361e+03 1.363565862e+03 1.914613287e+03 2.134947523e+03 2.135225133e+03 8.103794524e+02 1.402585505e+03 1.981136963e+03 9.463885589e+02 1.385523426e+03 0.86 1.951890843e+03 1.239944638e+03 1.748057409e+03 1.951775635e+03 1.951990253e+03 7.346168640e+02 1.277178215e+03 1.810055776e+03 8.576434464e+02 1.261554841e+03 0.88 1.786851918e+03 1.128670443e+03 1.598416689e+03 1.786295089e+03 1.786297137e+03 6.667269460e+02 1.164090016e+03 1.655435694e+03 7.780099238e+02 1.149529263e+03 0.90 1.637190499e+03 1.028246266e+03 1.463417229e+03 1.636518816e+03 1.636250780e+03 6.057367057e+02 1.061731676e+03 1.515343505e+03 7.064844856e+02 1.048161214e+03 0.92 1.501223031e+03 9.374122073e+02 1.340956312e+03 1.500727212e+03 1.500255260e+03 5.507258981e+02 9.688371314e+02 1.388263118e+03 6.421429070e+02 9.563937375e+02 0.94 1.377633252e+03 8.551354210e+02 1.229419873e+03 1.377434237e+03 1.376914964e+03 5.008750971e+02 8.844418739e+02 1.272953051e+03 5.841482056e+02 8.733122593e+02 0.96 1.265318980e+03 7.805581095e+02 1.127693439e+03 1.265372238e+03 1.264975196e+03 4.555461781e+02 8.078090777e+02 1.168275435e+03 5.317746493e+02 7.980949854e+02 0.98 1.163255336e+03 7.128695409e+02 1.034962572e+03 1.163411682e+03 1.163241034e+03 4.143153821e+02 7.382961958e+02 1.073064437e+03 4.843779309e+02 7.300017525e+02 1.00 1.070317029e+03 6.512731538e+02 9.505274108e+02 1.070449723e+03 1.070527373e+03 3.769049520e+02 6.752958470e+02 9.861443595e+02 4.413624526e+02 6.683392416e+02 1.02 9.853138313e+02 5.951059906e+02 8.736528775e+02 9.854268347e+02 9.857204055e+02 3.430779004e+02 6.182076836e+02 9.065264509e+02 4.022171066e+02 6.124356390e+02 1.04 9.072677033e+02 5.438985941e+02 8.034985316e+02 9.074530738e+02 9.078972682e+02 3.125469498e+02 5.664074541e+02 8.335235127e+02 3.665333447e+02 5.616605210e+02 1.06 8.355216036e+02 4.973197090e+02 7.392125376e+02 8.358541481e+02 8.363712311e+02 2.849432803e+02 5.192720320e+02 7.666658136e+02 3.340080602e+02 5.154283557e+02 1.08 7.696692139e+02 4.550601386e+02 6.801054911e+02 7.701352792e+02 7.706461225e+02 2.598825738e+02 4.762455611e+02 7.055700852e+02 3.044032867e+02 4.731784639e+02 1.10 7.093967465e+02 4.167525172e+02 6.257192579e+02 7.098975937e+02 7.103305316e+02 2.370367117e+02 4.368843235e+02 6.498320696e+02 2.774896447e+02 4.344035453e+02 1.12 6.543434509e+02 3.819660252e+02 5.757657369e+02 6.547487298e+02 6.550431867e+02 2.161621646e+02 4.008533854e+02 5.989659946e+02 2.530234631e+02 3.987050907e+02 1.14 6.040665795e+02 3.502474302e+02 5.300259193e+02 6.042727458e+02 6.043859513e+02 1.970905398e+02 3.678789623e+02 5.524428173e+02 2.307515393e+02 3.658212084e+02 1.16 5.580684950e+02 3.211733503e+02 4.882537392e+02 5.580307120e+02 5.579464102e+02 1.796924053e+02 3.376963348e+02 5.097608127e+02 2.104396761e+02 3.355900422e+02 1.18 5.158214539e+02 2.943992234e+02 4.501276964e+02 5.155670004e+02 5.153085323e+02 1.638409966e+02 3.100419569e+02 4.704756662e+02 1.918930715e+02 3.078486344e+02 1.20 4.768395151e+02 2.696869836e+02 4.152723039e+02 4.764545888e+02 4.760856704e+02 1.494040494e+02 2.846546010e+02 4.342269696e+02 1.749534538e+02 2.823972975e+02 1.22 4.407543387e+02 2.468914446e+02 3.833130911e+02 4.403459060e+02 4.399521116e+02 1.362514571e+02 2.612850135e+02 4.007433889e+02 1.594917234e+02 2.590285011e+02 1.24 4.073212177e+02 2.259203352e+02 3.539238589e+02 4.069794417e+02 4.066431470e+02 1.242630560e+02 2.397216657e+02 3.698193126e+02 1.453930406e+02 2.375547711e+02 1.26 3.763704647e+02 2.066990453e+02 3.268466342e+02 3.761528106e+02 3.759338389e+02 1.133325972e+02 2.197938328e+02 3.412848820e+02 1.325471990e+02 2.178238122e+02 1.28 3.477717089e+02 1.891431064e+02 3.018782255e+02 3.476988465e+02 3.476225143e+02 1.033668788e+02 2.013750110e+02 3.149786416e+02 1.208462493e+02 1.997178496e+02 1.30 3.214015472e+02 1.731410819e+02 2.788431894e+02 3.214618261e+02 3.215186856e+02 9.428070787e+01 1.843785442e+02 2.907362732e+02 1.101859846e+02 1.831382547e+02 1.32 2.971102215e+02 1.585495528e+02 2.575680274e+02 2.972733134e+02 2.974333238e+02 8.598991866e+01 1.687417989e+02 2.683872253e+02 1.004693872e+02 1.679820848e+02 1.34 2.747209349e+02 1.452100914e+02 2.378848984e+02 2.749534552e+02 2.751832048e+02 7.841252977e+01 1.544092978e+02 2.477627402e+02 9.160672619e+01 1.541302459e+02 1.36 2.540473844e+02 1.329729080e+02 2.196354002e+02 2.543219644e+02 2.545940570e+02 7.146831025e+01 1.413151283e+02 2.287091614e+02 8.351071720e+01 1.414472189e+02 1.38 2.349163377e+02 1.217127607e+02 2.026630406e+02 2.352085502e+02 2.354985349e+02 6.507449404e+01 1.293751377e+02 2.110953077e+02 7.609729085e+01 1.297980423e+02 1.40 2.171839858e+02 1.113256292e+02 1.868341344e+02 2.174671513e+02 2.177483290e+02 5.915728423e+01 1.184909443e+02 1.948111748e+02 6.929075332e+01 1.190656485e+02 1.42 2.007407684e+02 1.017239615e+02 1.720539599e+02 2.009848173e+02 2.012271010e+02 5.366146306e+01 1.085578794e+02 1.797630563e+02 6.302747106e+01 1.091596109e+02 1.44 1.855053569e+02 9.283675847e+01 1.582670961e+02 1.856797032e+02 1.858524907e+02 4.855222153e+01 9.947266970e+01 1.658657449e+02 5.725747233e+01 1.000151547e+02 1.46 1.714108915e+02 8.460488536e+01 1.454479473e+02 1.714899231e+02 1.715675852e+02 4.381280761e+01 9.114179659e+01 1.530299374e+02 5.194101971e+01 9.158378754e+01 1.48 1.583879577e+02 7.698094321e+01 1.335850981e+02 1.583575740e+02 1.583259919e+02 3.943818719e+01 8.348693080e+01 1.411576458e+02 4.704517832e+01 8.381894796e+01 1.50 1.463520945e+02 6.992912306e+01 1.226648735e+02 1.462143262e+02 1.460755127e+02 3.542685031e+01 7.644405825e+01 1.301410650e+02 4.254106226e+01 7.666846571e+01 1.52 1.351952499e+02 6.342219778e+01 1.126589865e+02 1.349698772e+02 1.347435956e+02 3.177345408e+01 6.995979405e+01 1.198765178e+02 3.840260958e+01 7.007176365e+01 1.54 1.248038561e+02 5.743815363e+01 1.035189326e+02 1.245248208e+02 1.242449998e+02 2.846418675e+01 6.398883962e+01 1.102811452e+02 3.460579538e+01 6.396713894e+01 1.56 1.150802652e+02 5.195646240e+01 9.517734122e+01 1.147882071e+02 1.144954768e+02 2.547558980e+01 5.849080731e+01 1.013007061e+02 3.112785894e+01 5.830027761e+01 1.58 1.059557109e+02 4.695465392e+01 8.755369046e+01 1.056893600e+02 1.054224432e+02 2.277569814e+01 5.342595790e+01 9.290802004e+01 2.794646348e+01 5.302943789e+01 1.60 9.739332955e+01 4.240606454e+01 8.055775405e+01 9.718186962e+01 9.696994399e+01 2.032286630e+01 4.875340049e+01 8.509393748e+01 2.503672047e+01 4.812665759e+01 1.62 8.938247106e+01 3.827911971e+01 7.409859491e+01 8.924098426e+01 8.909912575e+01 1.807050810e+01 4.443365457e+01 7.785672204e+01 2.237039640e+01 4.357544937e+01 1.64 8.192653877e+01 3.453761517e+01 6.809667635e+01 8.185577831e+01 8.178473219e+01 1.597682644e+01 4.043186840e+01 7.119214509e+01 1.991943617e+01 3.936578609e+01 1.66 7.503008201e+01 3.114249483e+01 6.249145223e+01 7.501971522e+01 7.500913854e+01 1.401164211e+01 3.671963897e+01 6.508619416e+01 1.765918514e+01 3.548887176e+01 1.68 6.868992641e+01 2.805516399e+01 5.724435355e+01 6.872332361e+01 6.875657423e+01 1.215909171e+01 3.327525474e+01 5.951217644e+01 1.557029396e+01 3.193375787e+01 1.70 6.288994534e+01 2.524036732e+01 5.233572849e+01 6.294890007e+01 6.300775790e+01 1.041614648e+01 3.008234228e+01 5.443153367e+01 1.363897035e+01 2.868537526e+01 1.72 5.759979994e+01 2.266791672e+01 4.775642928e+01 5.766769745e+01 5.773553442e+01 8.787584463e+00 2.712798194e+01 4.979730099e+01 1.185628023e+01 2.572406037e+01 1.74 5.277725468e+01 2.031281395e+01 4.350173250e+01 5.284103215e+01 5.290477380e+01 7.281583762e+00 2.440120471e+01 4.555850572e+01 1.021517429e+01 2.302641882e+01 1.76 4.837291457e+01 1.815361460e+01 3.956743074e+01 4.842409159e+01 4.847524840e+01 5.906237292e+00 2.189128671e+01 4.166533198e+01 8.707593914e+00 2.056707717e+01 1.78 4.433588610e+01 1.617192163e+01 3.594662629e+01 4.437061920e+01 4.440534128e+01 4.666606637e+00 1.958429875e+01 3.807373820e+01 7.324586010e+00 1.832074715e+01 1.80 4.061894024e+01 1.435228400e+01 3.262772033e+01 4.063726193e+01 4.065557773e+01 3.562817600e+00 1.746211046e+01 3.474806802e+01 6.056779819e+00 1.626406885e+01 1.82 3.718196848e+01 1.268130904e+01 2.959381585e+01 3.718651713e+01 3.719106268e+01 2.589430396e+00 1.550475240e+01 3.166093074e+01 4.894691423e+00 1.437649730e+01 1.84 3.399222540e+01 1.114706621e+01 2.682341875e+01 3.398682111e+01 3.398141527e+01 1.736014713e+00 1.369289728e+01 2.879122122e+01 3.829144813e+00 1.263800501e+01 1.86 3.102384339e+01 9.738978788e+00 2.429207196e+01 3.101223172e+01 3.100061936e+01 9.886236139e-01 1.200984140e+01 2.612214992e+01 2.852033002e+00 1.102858802e+01 1.88 2.825690428e+01 8.447590880e+00 2.197443070e+01 2.824197150e+01 2.822703846e+01 3.317279374e-01 1.044274058e+01 2.363914964e+01 1.956936387e+00 9.530453762e+00 1.90 2.567472804e+01 7.264210795e+00 1.984628667e+01 2.565837546e+01 2.564202281e+01 -2.498461528e-01 8.983031055e+00 2.132941894e+01 1.139441978e+00 8.129168216e+00 1.92 2.326341163e+01 6.180772038e+00 1.788614975e+01 2.324670910e+01 2.323000656e+01 -7.693552453e-01 7.626114896e+00 1.918203534e+01 3.970985957e-01 6.814730799e+00 1.94 2.101198714e+01 5.189787749e+00 1.607615833e+01 2.099540819e+01 2.097882924e+01 -1.237188567e+00 6.370486432e+00 1.718780606e+01 -2.710174967e-01 5.581958970e+00 1.96 1.891213987e+01 4.284309630e+00 1.440226662e+01 1.889581704e+01 1.887949420e+01 -1.660600080e+00 5.216515128e+00 1.533891824e+01 -8.650947982e-01 4.429931911e+00 1.98 1.695759692e+01 3.457889761e+00 1.285377695e+01 1.694154287e+01 1.692548881e+01 -2.044076535e+00 4.165042295e+00 1.362848404e+01 -1.385623710e+00 3.360758050e+00 2.00 1.514334249e+01 2.704545120e+00 1.142197506e+01 1.512756271e+01 1.511178293e+01 -2.390590593e+00 3.215841126e+00 1.205007362e+01 -1.834686396e+00 2.377996698e+00 2.02 1.346481572e+01 2.018724598e+00 1.009886361e+01 1.344932019e+01 1.343382466e+01 -2.702786399e+00 2.366634567e+00 1.059731300e+01 -2.216993905e+00 1.485063845e+00 2.04 1.191722176e+01 1.395278353e+00 8.876975436e+00 1.190202363e+01 1.188682549e+01 -2.983135049e+00 1.612721238e+00 9.263598464e+00 -2.539646661e+00 6.839002525e-01 2.06 1.049504603e+01 8.294293169e-01 7.749338791e+00 1.048015988e+01 1.046527374e+01 -3.233945573e+00 9.468942962e-01 8.041951366e+00 -2.811218096e+00 -2.591071539e-02 2.08 9.191813410e+00 3.167466944e-01 6.709444864e+00 9.177253501e+00 9.162693591e+00 -3.457375188e+00 3.593010320e-01 6.925010940e+00 -3.040589425e+00 -6.474980540e-01 2.10 8.000088365e+00 -1.469674216e-01 5.751217433e+00 7.985866977e+00 7.971645589e+00 -3.655438918e+00 -1.616589428e-01 5.905141202e+00 -3.235880269e+00 -1.186559349e+00 2.12 6.911674348e+00 -5.662214063e-01 4.868984511e+00 6.897800653e+00 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