# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2018--Etesami-S-A-Baskes-M-I-Laradji-M-Asadi-E--Pb-Sn # implementation = 2018--Etesami-S-A--Pb-Sn--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Pb Pb Pb Sn Sn Sn 0.02 1.482293099e+03 2.334501200e+06 1.889441899e+03 0.04 1.417583883e+03 9.439933832e+05 1.805498442e+03 0.06 1.355593656e+03 5.244384063e+05 1.725131738e+03 0.08 1.296211193e+03 3.331809855e+05 1.648193701e+03 0.10 1.239329733e+03 2.283982349e+05 1.574542250e+03 0.12 1.184846796e+03 1.644876368e+05 1.504041066e+03 0.14 1.132664017e+03 1.226632534e+05 1.436559365e+03 0.16 1.082686985e+03 9.390244305e+04 1.371971677e+03 0.18 1.034825084e+03 7.338516380e+04 1.310157632e+03 0.20 9.889913446e+02 5.832698853e+04 1.251001756e+03 0.22 9.451022967e+02 4.702104695e+04 1.194393278e+03 0.24 9.030778346e+02 3.837141436e+04 1.140225940e+03 0.26 8.628410811e+02 3.164792931e+04 1.088397812e+03 0.28 8.243182607e+02 2.634934779e+04 1.038811128e+03 0.30 7.874385758e+02 2.212297225e+04 9.913721108e+02 0.32 7.521340890e+02 1.871540102e+04 9.459908143e+02 0.34 7.183396092e+02 1.594130298e+04 9.025809715e+02 0.36 6.859925824e+02 1.366302432e+04 8.610598453e+02 0.38 6.550329872e+02 1.177691760e+04 8.213480865e+02 0.40 6.254032337e+02 1.020398191e+04 7.833695981e+02 0.42 5.970480666e+02 8.883337003e+03 7.470514043e+02 0.44 5.699144728e+02 7.767593530e+03 7.123235248e+02 0.46 5.439515914e+02 6.819519523e+03 6.791188540e+02 0.48 5.191106282e+02 6.009612013e+03 6.473730455e+02 0.50 4.953447733e+02 5.314305678e+03 6.170244005e+02 0.52 4.726091215e+02 4.714636032e+03 5.880137610e+02 0.54 4.508605966e+02 4.195233674e+03 5.602844075e+02 0.56 4.300578784e+02 3.743560441e+03 5.337819599e+02 0.58 4.101613318e+02 3.349323613e+03 5.084542835e+02 0.60 3.911329402e+02 3.004023731e+03 4.842513978e+02 0.62 3.729362400e+02 2.700603072e+03 4.611253894e+02 0.64 3.555362589e+02 2.433170071e+03 4.390303284e+02 0.66 3.388994557e+02 2.196781946e+03 4.179221875e+02 0.68 3.229936631e+02 1.987272346e+03 3.977587656e+02 0.70 3.077880327e+02 1.801113719e+03 3.784996129e+02 0.72 2.932529815e+02 1.635306673e+03 3.601059602e+02 0.74 2.793601417e+02 1.487290732e+03 3.425406505e+02 0.76 2.660823114e+02 1.354871906e+03 3.257680735e+02 0.78 2.533934076e+02 1.236163497e+03 3.097541025e+02 0.80 2.412684214e+02 1.129537609e+03 2.944660340e+02 0.82 2.296833747e+02 1.033585212e+03 2.798725296e+02 0.84 2.186152786e+02 9.470830486e+02 2.659435606e+02 0.86 2.080420931e+02 8.689661252e+02 2.526503542e+02 0.88 1.979426895e+02 7.983047691e+02 2.399653426e+02 0.90 1.882968130e+02 7.342853801e+02 2.278621132e+02 0.92 1.790850473e+02 6.761942227e+02 2.163153619e+02 0.94 1.702887814e+02 6.234037520e+02 2.053008471e+02 0.96 1.618901759e+02 5.753610220e+02 1.947953468e+02 0.98 1.538721329e+02 5.315778114e+02 1.847766163e+02 1.00 1.462182648e+02 4.916222087e+02 1.752233484e+02 1.02 1.389128664e+02 4.551114127e+02 1.661151347e+02 1.04 1.319408865e+02 4.217055410e+02 1.574324287e+02 1.06 1.252879017e+02 3.911023042e+02 1.491565104e+02 1.08 1.189400909e+02 3.630324131e+02 1.412694524e+02 1.10 1.128842103e+02 3.372555986e+02 1.337540867e+02 1.12 1.071075706e+02 3.135571585e+02 1.265939740e+02 1.14 1.015980136e+02 2.917449590e+02 1.197733734e+02 1.16 9.634389126e+01 2.716468205e+02 1.132772133e+02 1.18 9.133404427e+01 2.531082316e+02 1.070910643e+02 1.20 8.655778246e+01 2.359903528e+02 1.012011118e+02 1.22 8.200486543e+01 2.201682663e+02 9.559413148e+01 1.24 7.766548417e+01 2.055294366e+02 9.025746394e+01 1.26 7.353024337e+01 1.919723577e+02 8.517899186e+01 1.28 6.959014449e+01 1.794053626e+02 8.034711726e+01 1.30 6.583656942e+01 1.677455705e+02 7.575073990e+01 1.32 6.226126488e+01 1.569179569e+02 7.137923662e+01 1.34 5.885632740e+01 1.468545318e+02 6.722244143e+01 1.36 5.561418896e+01 1.374936102e+02 6.327062647e+01 1.38 5.252760310e+01 1.287791648e+02 5.951448370e+01 1.40 4.958963171e+01 1.206602512e+02 5.594510740e+01 1.42 4.679363230e+01 1.130904968e+02 5.255397731e+01 1.44 4.413324578e+01 1.060276445e+02 4.933294251e+01 1.46 4.160238471e+01 9.943314707e+01 4.627420592e+01 1.48 3.919522212e+01 9.327180424e+01 4.337030951e+01 1.50 3.690618064e+01 8.751143867e+01 4.061412000e+01 1.52 3.472992221e+01 8.212260583e+01 3.799881525e+01 1.54 3.266133812e+01 7.707833468e+01 3.551787114e+01 1.56 3.069553948e+01 7.235389476e+01 3.316504905e+01 1.58 2.882784807e+01 6.792658720e+01 3.093438377e+01 1.60 2.705378757e+01 6.377555734e+01 2.882017201e+01 1.62 2.536907516e+01 5.988162612e+01 2.681696126e+01 1.64 2.376961341e+01 5.622713814e+01 2.491953926e+01 1.66 2.225148256e+01 5.279582510e+01 2.312292374e+01 1.68 2.081093310e+01 4.957268265e+01 2.142235273e+01 1.70 1.944437860e+01 4.654385911e+01 1.981327517e+01 1.72 1.814838892e+01 4.369667652e+01 1.829134193e+01 1.74 1.691968363e+01 4.095271187e+01 1.685239724e+01 1.76 1.575512572e+01 3.813860380e+01 1.549247045e+01 1.78 1.465171555e+01 3.530696299e+01 1.420776809e+01 1.80 1.360658513e+01 3.251019680e+01 1.299466634e+01 1.82 1.261699248e+01 2.978727957e+01 1.184970376e+01 1.84 1.168031639e+01 2.716638877e+01 1.076957431e+01 1.86 1.079405127e+01 2.466708065e+01 9.751120701e+00 1.88 9.955802275e+00 2.230207491e+01 8.791328016e+00 1.90 9.163280604e+00 2.007871541e+01 7.887317558e+00 1.92 8.414299010e+00 1.800016087e+01 7.036340995e+00 1.94 7.706767488e+00 1.606635352e+01 6.235774736e+00 1.96 7.038689134e+00 1.427480482e+01 5.483114538e+00 1.98 6.408156178e+00 1.262122928e+01 4.775970344e+00 2.00 5.813346193e+00 1.110005344e+01 4.112061332e+00 2.02 5.252518442e+00 9.704822647e+00 3.489211178e+00 2.04 4.724010390e+00 8.428523516e+00 2.905343511e+00 2.06 4.226234353e+00 7.263837378e+00 2.358477564e+00 2.08 3.757674294e+00 6.203337528e+00 1.846724003e+00 2.10 3.316882739e+00 5.239640591e+00 1.368280937e+00 2.12 2.902477834e+00 4.365520670e+00 9.214300898e-01 2.14 2.513140520e+00 3.573993432e+00 5.045331398e-01 2.16 2.147611822e+00 2.858375958e+00 1.160282091e-01 2.18 1.804690257e+00 2.212327285e+00 -2.455734965e-01 2.20 1.483229345e+00 1.629873607e+00 -5.816909066e-01 2.22 1.182135227e+00 1.105421308e+00 -8.936761677e-01 2.24 9.003643823e-01 6.337606104e-01 -1.182817594e+00 2.26 6.369214422e-01 2.100620342e-01 -1.450342495e+00 2.28 3.908570926e-01 -1.701326761e-01 -1.697419881e+00 2.30 1.612660658e-01 -5.109236386e-01 -1.925163052e+00 2.32 -5.271478088e-02 -8.160687254e-01 -2.134632080e+00 2.34 -2.519083077e-01 -1.089001426e+00 -2.326836185e+00 2.36 -4.370988590e-01 -1.332849921e+00 -2.502736003e+00 2.38 -6.090339520e-01 -1.550456708e+00 -2.663245766e+00 2.40 -7.684258950e-01 -1.744398377e+00 -2.809235387e+00 2.42 -9.159533393e-01 -1.917005218e+00 -2.941532444e+00 2.44 -1.052262764e+00 -2.070380315e+00 -3.060924098e+00 2.46 -1.177969895e+00 -2.206417947e+00 -3.168158912e+00 2.48 -1.293661068e+00 -2.326821216e+00 -3.263948602e+00 2.50 -1.399894536e+00 -2.433118731e+00 -3.348969705e+00 2.52 -1.497201709e+00 -2.526680310e+00 -3.423865180e+00 2.54 -1.586088353e+00 -2.608731694e+00 -3.489245941e+00 2.56 -1.667035737e+00 -2.680368244e+00 -3.545692316e+00 2.58 -1.740501720e+00 -2.742567627e+00 -3.593755451e+00 2.60 -1.806921804e+00 -2.796201514e+00 -3.633958649e+00 2.62 -1.866710138e+00 -2.842046364e+00 -3.666798650e+00 2.64 -1.920260473e+00 -2.880793270e+00 -3.692746856e+00 2.66 -1.967947082e+00 -2.913056957e+00 -3.712250507e+00 2.68 -2.010125641e+00 -2.939383985e+00 -3.725733798e+00 2.70 -2.047134069e+00 -2.960260189e+00 -3.733598950e+00 2.72 -2.079293330e+00 -2.976117404e+00 -3.736227239e+00 2.74 -2.106908205e+00 -2.987339563e+00 -3.733979969e+00 2.76 -2.130268027e+00 -2.994268184e+00 -3.727199417e+00 2.78 -2.149647388e+00 -2.997207306e+00 -3.716209718e+00 2.80 -2.165306808e+00 -2.996429373e+00 -3.701317731e+00 2.82 -2.177493382e+00 -2.992187072e+00 -3.682813849e+00 2.84 -2.186441398e+00 -2.984719839e+00 -3.660972784e+00 2.86 -2.192372921e+00 -2.974254701e+00 -3.636054313e+00 2.88 -2.195498361e+00 -2.961006850e+00 -3.608303991e+00 2.90 -2.196017009e+00 -2.945180188e+00 -3.577953834e+00 2.92 -2.194117553e+00 -2.926967853e+00 -3.545222970e+00 2.94 -2.189978571e+00 -2.906552722e+00 -3.510318261e+00 2.96 -2.183769001e+00 -2.884107884e+00 -3.473434894e+00 2.98 -2.175648590e+00 -2.859797104e+00 -3.434756956e+00 3.00 -2.165768326e+00 -2.833775261e+00 -3.394457967e+00 3.02 -2.154270846e+00 -2.806188764e+00 -3.352701405e+00 3.04 -2.141290834e+00 -2.777175957e+00 -3.309641195e+00 3.06 -2.126955392e+00 -2.746867496e+00 -3.265422184e+00 3.08 -2.111384399e+00 -2.715386723e+00 -3.220180588e+00 3.10 -2.094690858e+00 -2.682850010e+00 -3.174044425e+00 3.12 -2.076981219e+00 -2.649367096e+00 -3.127133923e+00 3.14 -2.058355696e+00 -2.615041405e+00 -3.079561912e+00 3.16 -2.038908563e+00 -2.579970353e+00 -3.031434197e+00 3.18 -2.018728443e+00 -2.544245642e+00 -2.982849915e+00 3.20 -1.997898581e+00 -2.507953531e+00 -2.933901872e+00 3.22 -1.976497102e+00 -2.471175110e+00 -2.884676874e+00 3.24 -1.954597265e+00 -2.433986553e+00 -2.835256026e+00 3.26 -1.932267700e+00 -2.396459357e+00 -2.785715036e+00 3.28 -1.909572634e+00 -2.358660578e+00 -2.736124489e+00 3.30 -1.886572112e+00 -2.320653051e+00 -2.686550121e+00 3.32 -1.863322205e+00 -2.282495600e+00 -2.637053068e+00 3.34 -1.839875206e+00 -2.244243244e+00 -2.587690113e+00 3.36 -1.816279825e+00 -2.205947387e+00 -2.538513920e+00 3.38 -1.792581367e+00 -2.167656001e+00 -2.489573247e+00 3.40 -1.768821909e+00 -2.129413805e+00 -2.440913167e+00 3.42 -1.745040464e+00 -2.091262430e+00 -2.392575256e+00 3.44 -1.721273140e+00 -2.053240580e+00 -2.344597798e+00 3.46 -1.697553297e+00 -2.015384185e+00 -2.297015952e+00 3.48 -1.673911684e+00 -1.977726545e+00 -2.249861937e+00 3.50 -1.650376586e+00 -1.940298470e+00 -2.203165189e+00 3.52 -1.626973952e+00 -1.903128413e+00 -2.156952522e+00 3.54 -1.603727524e+00 -1.866242595e+00 -2.111248273e+00 3.56 -1.580658958e+00 -1.829665125e+00 -2.066074448e+00 3.58 -1.557787943e+00 -1.793418115e+00 -2.021450854e+00 3.60 -1.535132306e+00 -1.757521790e+00 -1.977395227e+00 3.62 -1.512708125e+00 -1.721994592e+00 -1.933923357e+00 3.64 -1.490529828e+00 -1.686853279e+00 -1.891049198e+00 3.66 -1.468610289e+00 -1.652113017e+00 -1.848784986e+00 3.68 -1.446960922e+00 -1.617787472e+00 -1.807141336e+00 3.70 -1.425591770e+00 -1.583888899e+00 -1.766127345e+00 3.72 -1.404511589e+00 -1.550428214e+00 -1.725750687e+00 3.74 -1.383727931e+00 -1.517415083e+00 -1.686017700e+00 3.76 -1.363247216e+00 -1.484857986e+00 -1.646933472e+00 3.78 -1.343074813e+00 -1.452764292e+00 -1.608501925e+00 3.80 -1.323215106e+00 -1.421140327e+00 -1.570725883e+00 3.82 -1.303671560e+00 -1.389991432e+00 -1.533607156e+00 3.84 -1.284446790e+00 -1.359322028e+00 -1.497146597e+00 3.86 -1.265542614e+00 -1.329135672e+00 -1.461344177e+00 3.88 -1.246960121e+00 -1.299435110e+00 -1.426199039e+00 3.90 -1.228699716e+00 -1.270222330e+00 -1.391709564e+00 3.92 -1.210761180e+00 -1.241498612e+00 -1.357873419e+00 3.94 -1.193143717e+00 -1.213264571e+00 -1.324687614e+00 3.96 -1.175845998e+00 -1.185520206e+00 -1.292148552e+00 3.98 -1.158866211e+00 -1.158264938e+00 -1.260252070e+00 4.00 -1.142202102e+00 -1.131497652e+00 -1.228993492e+00 4.02 -1.125851011e+00 -1.105216734e+00 -1.198367665e+00 4.04 -1.109809917e+00 -1.079420105e+00 -1.168368999e+00 4.06 -1.094075465e+00 -1.054105260e+00 -1.138991507e+00 4.08 -1.078644009e+00 -1.029269293e+00 -1.110228837e+00 4.10 -1.063511637e+00 -1.004908933e+00 -1.082074308e+00 4.12 -1.048674202e+00 -9.810205698e-01 -1.054520942e+00 4.14 -1.034127352e+00 -9.576002840e-01 -1.027561488e+00 4.16 -1.019866556e+00 -9.346438691e-01 -1.001188458e+00 4.18 -1.005887126e+00 -9.121468580e-01 -9.753941454e-01 4.20 -9.921842423e-01 -8.901045459e-01 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