# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1994--Nakano-A-Kalia-R-K-Vashishta-P--Si-O # implementation = 1994--Nakano-A--Si-O--LAMMPS--ipr1 # composition = O # 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 nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan 5.713770519e+03 nan nan nan nan 0.86 nan nan nan nan nan 4.852503122e+03 nan nan nan nan 0.88 nan nan nan nan nan 4.137260140e+03 nan nan 4.043773016e+03 nan 0.90 nan nan nan nan nan 3.540724201e+03 nan nan 3.462091364e+03 nan 0.92 nan nan nan nan nan 3.041161525e+03 nan nan 2.974893481e+03 nan 0.94 nan nan nan nan nan 2.621176388e+03 nan nan 2.565220234e+03 nan 0.96 nan 3.060085494e+03 nan nan nan 2.266735382e+03 nan nan 2.219430143e+03 nan 0.98 nan 2.655875946e+03 nan nan nan 1.966516483e+03 3.052620695e+03 nan 1.926488606e+03 3.188951368e+03 1.00 nan 2.312275409e+03 nan nan nan 1.711335144e+03 2.656622883e+03 nan 1.677441361e+03 2.774783245e+03 1.02 nan 2.019209736e+03 nan nan nan 1.493712061e+03 2.318913578e+03 nan 1.464996857e+03 2.421628525e+03 1.04 nan 1.768434368e+03 nan nan nan 1.307518809e+03 2.029989921e+03 nan 1.283188832e+03 2.119515164e+03 1.06 nan 1.553178463e+03 2.739011347e+03 nan nan 1.147724734e+03 1.782034892e+03 2.887582947e+03 1.127110567e+03 1.860259724e+03 1.08 2.901141514e+03 1.367846961e+03 2.409424782e+03 2.901237172e+03 2.901334568e+03 1.010169360e+03 1.568602003e+03 2.539906556e+03 9.927198259e+02 1.637125070e+03 1.10 2.557827820e+03 1.207824124e+03 2.124988530e+03 2.557895149e+03 2.557976627e+03 8.914153167e+02 1.384355803e+03 2.239861217e+03 8.766664725e+02 1.444510819e+03 1.12 2.260750781e+03 1.069258080e+03 1.878829835e+03 2.260801025e+03 2.260871006e+03 7.886079711e+02 1.224864110e+03 1.980193769e+03 7.761668854e+02 1.277766360e+03 1.14 2.002988286e+03 9.489450466e+02 1.665217556e+03 2.003042782e+03 2.003106477e+03 6.993595621e+02 1.086417179e+03 1.754870248e+03 6.888994676e+02 1.133025840e+03 1.16 1.778766400e+03 8.441982125e+02 1.479369562e+03 1.778829198e+03 1.778888258e+03 6.216747586e+02 9.659131194e+02 1.558846954e+03 6.129205500e+02 1.007060241e+03 1.18 1.583229214e+03 7.527747294e+02 1.317263840e+03 1.583298448e+03 1.583355763e+03 5.538882689e+02 8.607555302e+02 1.387885300e+03 5.465993261e+02 8.971668893e+02 1.20 1.412297582e+03 6.727892469e+02 1.175519655e+03 1.412365941e+03 1.412421713e+03 4.945961994e+02 7.687696147e+02 1.238414542e+03 4.885653629e+02 8.010630735e+02 1.22 1.262524195e+03 6.026358905e+02 1.051295452e+03 1.262585226e+03 1.262636101e+03 4.426151266e+02 6.881161653e+02 1.107427813e+03 4.376612714e+02 7.168160745e+02 1.24 1.130990601e+03 5.409650508e+02 9.421879224e+02 1.131039266e+03 1.131082376e+03 3.969449381e+02 6.172375949e+02 9.923770165e+02 3.929041813e+02 6.427891718e+02 1.26 1.015223511e+03 4.866263757e+02 8.461411468e+02 1.015255850e+03 1.015290548e+03 3.567287891e+02 5.548098005e+02 8.911003364e+02 3.534617195e+02 5.775967547e+02 1.28 9.131109810e+02 4.386360863e+02 7.614021404e+02 9.131285458e+02 9.131560353e+02 3.212350264e+02 4.997019196e+02 8.017500084e+02 3.186205539e+02 5.200613529e+02 1.30 8.228457342e+02 3.961632363e+02 6.864762513e+02 8.228566056e+02 8.228783836e+02 2.898326992e+02 4.509547660e+02 7.227526777e+02 2.877773646e+02 4.691770549e+02 1.32 7.428905670e+02 3.585005703e+02 6.200945646e+02 7.429000483e+02 7.429169654e+02 2.619915949e+02 4.077486222e+02 6.527660031e+02 2.604187607e+02 4.240791861e+02 1.34 6.719300170e+02 3.250349442e+02 5.611676898e+02 6.719375650e+02 6.719505113e+02 2.372605626e+02 3.693757558e+02 5.906365399e+02 2.361032568e+02 3.840293803e+02 1.36 6.088244452e+02 2.952341284e+02 5.087450856e+02 6.088337758e+02 6.088452864e+02 2.152453380e+02 3.352293489e+02 5.353745762e+02 2.144500841e+02 3.483846372e+02 1.38 5.525999044e+02 2.686483107e+02 4.620205599e+02 5.526141959e+02 5.526272315e+02 1.956100782e+02 3.047818076e+02 4.861277044e+02 1.951334576e+02 3.165988065e+02 1.40 5.024167788e+02 2.448886811e+02 4.203003060e+02 5.024374900e+02 5.024542284e+02 1.780648886e+02 2.775772607e+02 4.421636350e+02 1.778668496e+02 2.882030294e+02 1.42 4.575502308e+02 2.236129622e+02 3.829850817e+02 4.575747275e+02 4.575939000e+02 1.623599631e+02 2.532228609e+02 4.028491704e+02 1.624022754e+02 2.627923883e+02 1.44 4.173644584e+02 2.045229819e+02 3.495559009e+02 4.173919899e+02 4.174129024e+02 1.482794266e+02 2.313823055e+02 3.676287685e+02 1.485280747e+02 2.400163203e+02 1.46 3.813063278e+02 1.873663125e+02 3.195559409e+02 3.813371312e+02 3.813588064e+02 1.356353980e+02 2.117638680e+02 3.360231253e+02 1.360598065e+02 2.195701841e+02 1.48 3.489021165e+02 1.719236393e+02 2.925843616e+02 3.489329120e+02 3.489537406e+02 1.242615349e+02 1.941140579e+02 3.076162176e+02 1.248362855e+02 2.011866599e+02 1.50 3.197386291e+02 1.580034907e+02 2.682977980e+02 3.197651401e+02 3.197835802e+02 1.140146132e+02 1.782080428e+02 2.820429165e+02 1.147150787e+02 1.846224734e+02 1.52 2.934547687e+02 1.454331015e+02 2.463958415e+02 2.934700574e+02 2.934846312e+02 1.047683559e+02 1.638507072e+02 2.589836714e+02 1.055731290e+02 1.696739871e+02 1.54 2.697284261e+02 1.340587173e+02 2.266117322e+02 2.697290495e+02 2.697388359e+02 9.640843975e+01 1.508716197e+02 2.381571119e+02 9.730415120e+01 1.561626673e+02 1.56 2.482671549e+02 1.237501417e+02 2.087160773e+02 2.482587955e+02 2.482641910e+02 8.883916128e+01 1.391201882e+02 2.193138709e+02 8.981217425e+01 1.439285839e+02 1.58 2.288273979e+02 1.143948173e+02 1.925076354e+02 2.288150872e+02 2.288165315e+02 8.197673661e+01 1.284645575e+02 2.022412994e+02 8.301283935e+01 1.328356505e+02 1.60 2.111942437e+02 1.058932567e+02 1.778076291e+02 2.111809500e+02 2.111791840e+02 7.574739470e+01 1.187887322e+02 1.867493663e+02 7.683319400e+01 1.227638774e+02 1.62 1.951744262e+02 9.815643148e+01 1.644520483e+02 1.951647288e+02 1.951615100e+02 7.008526552e+01 1.099863847e+02 1.726729479e+02 7.120875285e+01 1.136061818e+02 1.64 1.806014343e+02 9.110570124e+01 1.522927561e+02 1.805961517e+02 1.805920394e+02 6.492792202e+01 1.019656801e+02 1.598642626e+02 6.608029691e+01 1.052693553e+02 1.66 1.673284472e+02 8.466850535e+01 1.412068005e+02 1.673265729e+02 1.673218883e+02 6.022387405e+01 9.464816149e+01 1.481923271e+02 6.139688078e+01 9.767106152e+01 1.68 1.552218011e+02 7.878132855e+01 1.310868587e+02 1.552233553e+02 1.552188577e+02 5.592828549e+01 8.796430549e+01 1.375414202e+02 5.711479854e+01 9.073472271e+01 1.70 1.441636856e+02 7.339015694e+01 1.218367414e+02 1.441694979e+02 1.441662374e+02 5.200038371e+01 8.185240656e+01 1.278100896e+02 5.319496298e+01 8.439314155e+01 1.72 1.340518465e+02 6.844757565e+01 1.133698952e+02 1.340620741e+02 1.340610555e+02 4.840283643e+01 7.625736996e+01 1.189089847e+02 4.960118559e+01 7.858900544e+01 1.74 1.247952989e+02 6.391136774e+01 1.056110986e+02 1.248078838e+02 1.248100693e+02 4.510420575e+01 7.112865698e+01 1.107574423e+02 4.630093400e+01 7.327129313e+01 1.76 1.163099036e+02 5.974388689e+01 9.849337818e+01 1.163239681e+02 1.163302797e+02 4.207652165e+01 6.642148033e+01 1.032818392e+02 4.326608480e+01 6.839145375e+01 1.78 1.085208226e+02 5.591151219e+01 9.195696743e+01 1.085364088e+02 1.085473080e+02 3.929481269e+01 6.209691407e+01 9.641734910e+01 4.047136557e+01 6.390638529e+01 1.80 1.013636280e+02 5.238293291e+01 8.594845510e+01 1.013787196e+02 1.013925936e+02 3.673675216e+01 5.811792928e+01 9.010664132e+01 3.789504339e+01 5.978000012e+01 1.82 9.478067663e+01 4.912831990e+01 8.042004238e+01 9.479306118e+01 9.480808512e+01 3.438234939e+01 5.445159704e+01 8.429859990e+01 3.551770648e+01 5.597999685e+01 1.84 8.871989146e+01 4.612250633e+01 7.532850847e+01 8.872765732e+01 8.874214843e+01 3.221348730e+01 5.107009425e+01 7.894734434e+01 3.332194745e+01 5.247706142e+01 1.86 8.312939235e+01 4.334271251e+01 7.063048072e+01 8.313348282e+01 8.314674928e+01 3.021160543e+01 4.794748038e+01 7.400903913e+01 3.129153709e+01 4.924058217e+01 1.88 7.796609579e+01 4.076929919e+01 6.629011616e+01 7.796826262e+01 7.797991950e+01 2.836158260e+01 4.506016155e+01 6.944702312e+01 2.941176735e+01 4.624598219e+01 1.90 7.319284493e+01 3.838491816e+01 6.227658326e+01 7.319477317e+01 7.320444890e+01 2.665051461e+01 4.238721081e+01 6.522878393e+01 2.767002201e+01 4.347247325e+01 1.92 6.877618909e+01 3.617393293e+01 5.856211690e+01 6.877884895e+01 6.878618473e+01 2.506677403e+01 3.990929513e+01 6.132504526e+01 2.605423847e+01 4.090133326e+01 1.94 6.468597663e+01 3.412223133e+01 5.512168184e+01 6.468865897e+01 6.469330825e+01 2.359987037e+01 3.760908919e+01 5.770941156e+01 2.455368081e+01 3.851567957e+01 1.96 6.089465257e+01 3.221637304e+01 5.193130162e+01 6.089676455e+01 6.089856434e+01 2.223895224e+01 3.547025648e+01 5.435782598e+01 2.315911489e+01 3.629958184e+01 1.98 5.737687371e+01 3.044330696e+01 4.896752313e+01 5.737822734e+01 5.737740377e+01 2.097242484e+01 3.347936539e+01 5.124824857e+01 2.186218528e+01 3.423774889e+01 2.00 5.411040701e+01 2.879259825e+01 4.621189708e+01 5.411083498e+01 5.410761993e+01 1.979256540e+01 3.162457623e+01 4.836119760e+01 2.065532205e+01 3.231772881e+01 2.02 5.107514472e+01 2.725447007e+01 4.364782301e+01 5.107448515e+01 5.106910176e+01 1.869248768e+01 2.989515260e+01 4.567759517e+01 1.953165834e+01 3.052829591e+01 2.04 4.825285547e+01 2.581880568e+01 4.126024858e+01 4.825084469e+01 4.824350780e+01 1.766594691e+01 2.828091258e+01 4.318007037e+01 1.848482874e+01 2.885926895e+01 2.06 4.562699029e+01 2.447654866e+01 3.903550943e+01 4.562259074e+01 4.561350736e+01 1.670727355e+01 2.677279017e+01 4.085315379e+01 1.750838058e+01 2.730140321e+01 2.08 4.318249585e+01 2.321884270e+01 3.696118713e+01 4.317455368e+01 4.316392520e+01 1.581131434e+01 2.536277506e+01 3.868171533e+01 1.659613486e+01 2.584629462e+01 2.10 4.090122243e+01 2.203939205e+01 3.502598285e+01 4.089029813e+01 4.087887737e+01 1.497338004e+01 2.404357701e+01 3.665189458e+01 1.574233254e+01 2.448629468e+01 2.12 3.876734828e+01 2.093248589e+01 3.321960499e+01 3.875529979e+01 3.874425295e+01 1.418919885e+01 2.280855359e+01 3.475269152e+01 1.494277395e+01 2.321443467e+01 2.14 3.676977231e+01 1.989291519e+01 3.153220119e+01 3.675827850e+01 3.674861589e+01 1.345487495e+01 2.165163814e+01 3.297437180e+01 1.419337296e+01 2.202435814e+01 2.16 3.489837322e+01 1.891592336e+01 2.995236403e+01 3.488834342e+01 3.488032797e+01 1.276685148e+01 2.056689835e+01 3.130805713e+01 1.348997205e+01 2.091026070e+01 2.18 3.314391349e+01 1.799716213e+01 2.847188876e+01 3.313610630e+01 3.312987133e+01 1.212187758e+01 1.954899111e+01 2.974564153e+01 1.282936403e+01 1.986683628e+01 2.20 3.149795368e+01 1.713265216e+01 2.708277058e+01 3.149286269e+01 3.148853725e+01 1.151649778e+01 1.859242118e+01 2.827971654e+01 1.220864581e+01 1.888922911e+01 2.22 2.995277572e+01 1.631874780e+01 2.577607229e+01 2.995024797e+01 2.994795697e+01 1.094674143e+01 1.769274148e+01 2.690290568e+01 1.162515682e+01 1.797299069e+01 2.24 2.850131427e+01 1.555210549e+01 2.454586603e+01 2.850116822e+01 2.850103266e+01 1.041009832e+01 1.684611859e+01 2.560842845e+01 1.107645614e+01 1.711404129e+01 2.26 2.713678650e+01 1.482965548e+01 2.338684783e+01 2.713892356e+01 2.714106063e+01 9.904330197e+00 1.604903524e+01 2.439063124e+01 1.056018565e+01 1.630770970e+01 2.28 2.585246943e+01 1.414857640e+01 2.229415376e+01 2.585699270e+01 2.586151597e+01 9.427382639e+00 1.529826092e+01 2.324432751e+01 1.007364743e+01 1.554819983e+01 2.30 2.464290417e+01 1.350627245e+01 2.126331911e+01 2.464992371e+01 2.465694325e+01 8.977368098e+00 1.459082544e+01 2.216475459e+01 9.614594129e+00 1.483232441e+01 2.32 2.350311390e+01 1.290035286e+01 2.029024173e+01 2.351264332e+01 2.352217274e+01 8.552550616e+00 1.392399519e+01 2.114753477e+01 9.180772371e+00 1.415726792e+01 2.34 2.242852197e+01 1.232861339e+01 1.937114902e+01 2.243996705e+01 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