# 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 = O3Si # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 1.770305948e+03 nan nan 0.98 1.513608059e+03 nan nan 1.00 1.297240269e+03 nan nan 1.02 1.114901177e+03 nan nan 1.04 9.614488522e+02 nan nan 1.06 8.324494976e+02 1.565403853e+03 nan 1.08 7.237024473e+02 1.357920325e+03 1.665022492e+03 1.10 6.311168018e+02 1.179308124e+03 1.452751744e+03 1.12 5.514651626e+02 1.025274983e+03 1.271267510e+03 1.14 4.826211725e+02 8.923095865e+02 1.114658191e+03 1.16 4.229286875e+02 7.775237029e+02 9.787673754e+02 1.18 3.710389267e+02 6.785661399e+02 8.605109429e+02 1.20 3.258307735e+02 5.934606775e+02 7.573250084e+02 1.22 2.863748699e+02 5.204733572e+02 6.670960389e+02 1.24 2.519040337e+02 4.580072053e+02 5.880687998e+02 1.26 2.217732782e+02 4.045502758e+02 5.187641791e+02 1.28 1.954675518e+02 3.587145193e+02 4.579655110e+02 1.30 1.725510271e+02 3.191704230e+02 4.046596173e+02 1.32 1.526497846e+02 2.846811427e+02 3.579717047e+02 1.34 1.354227984e+02 2.543488000e+02 3.171639290e+02 1.36 1.205292663e+02 2.275986711e+02 2.816095844e+02 1.38 1.075897892e+02 2.039616408e+02 2.507401081e+02 1.40 9.622727992e+01 1.830305853e+02 2.240020122e+02 1.42 8.615939496e+01 1.644577876e+02 2.008215738e+02 1.44 7.721632423e+01 1.479454927e+02 1.805868545e+02 1.46 6.925903932e+01 1.332399726e+02 1.627192100e+02 1.48 6.216659007e+01 1.201236582e+02 1.468141886e+02 1.50 5.583419536e+01 1.084051368e+02 1.326185012e+02 1.52 5.016740380e+01 9.791459036e+01 1.199270646e+02 1.54 4.509280300e+01 8.849811534e+01 1.085647603e+02 1.56 4.054214136e+01 8.002966444e+01 9.838410499e+01 1.58 3.645552946e+01 7.240002026e+01 8.924978167e+01 1.60 3.278002979e+01 6.551474181e+01 8.104092849e+01 1.62 2.946720904e+01 5.929455435e+01 7.364519349e+01 1.64 2.647569479e+01 5.367182594e+01 6.697112719e+01 1.66 2.377379917e+01 4.858334240e+01 6.093926269e+01 1.68 2.133214276e+01 4.397289694e+01 5.548156837e+01 1.70 1.912138545e+01 3.978948918e+01 5.053780185e+01 1.72 1.711807381e+01 3.598643834e+01 4.605367275e+01 1.74 1.530161230e+01 3.252575571e+01 4.198127063e+01 1.76 1.365390321e+01 2.937412798e+01 3.827301661e+01 1.78 1.215903270e+01 2.650223248e+01 3.488720462e+01 1.80 1.080175534e+01 2.388423103e+01 3.179108272e+01 1.82 9.567511374e+00 2.149732300e+01 2.895566315e+01 1.84 8.447317102e+00 1.932154095e+01 2.635548988e+01 1.86 7.430670027e+00 1.734148284e+01 2.397059682e+01 1.88 6.508758745e+00 1.554188977e+01 2.178155407e+01 1.90 5.674052145e+00 1.390839053e+01 1.977033795e+01 1.92 4.919784474e+00 1.242801387e+01 1.792094899e+01 1.94 4.239816317e+00 1.108894045e+01 1.621918086e+01 1.96 3.627325622e+00 9.877920628e+00 1.465182719e+01 1.98 3.074448391e+00 8.779600295e+00 1.320638196e+01 2.00 2.576207821e+00 7.784435149e+00 1.187289877e+01 2.02 2.127520701e+00 6.883510443e+00 1.064258292e+01 2.04 1.722180032e+00 6.068259226e+00 9.507609803e+00 2.06 1.357829026e+00 5.330442511e+00 8.461006340e+00 2.08 1.033692092e+00 4.662183182e+00 7.496549360e+00 2.10 7.451734914e-01 4.056039185e+00 6.610891041e+00 2.12 4.877784652e-01 3.505092761e+00 5.800679425e+00 2.14 2.573080310e-01 3.003277767e+00 5.061203271e+00 2.16 5.002234841e-02 2.546454039e+00 4.388125900e+00 2.18 -1.372196617e-01 2.130144517e+00 3.777402325e+00 2.20 -3.069061434e-01 1.751082964e+00 3.225200063e+00 2.22 -4.609446072e-01 1.407511952e+00 2.727824517e+00 2.24 -6.008336540e-01 1.096778125e+00 2.281650812e+00 2.26 -7.278369810e-01 8.163184678e-01 1.882535959e+00 2.28 -8.430805568e-01 5.636877589e-01 1.525485650e+00 2.30 -9.475847994e-01 3.365376245e-01 1.206778983e+00 2.32 -1.042276627e+00 1.326053898e-01 9.227059341e-01 2.34 -1.127998615e+00 -5.028548792e-02 6.695284880e-01 2.36 -1.205733969e+00 -2.142121870e-01 4.435501455e-01 2.38 -1.276717267e+00 -3.611269886e-01 2.412207743e-01 2.40 -1.341587794e+00 -4.933816860e-01 5.926609098e-02 2.42 -1.399449332e+00 -6.133050612e-01 -1.051819708e-01 2.44 -1.449293438e+00 -7.222443689e-01 -2.544901340e-01 2.46 -1.491664349e+00 -8.213233475e-01 -3.905020311e-01 2.48 -1.527433594e+00 -9.114736446e-01 -5.138645146e-01 2.50 -1.557395514e+00 -9.934828443e-01 -6.249804542e-01 2.52 -1.581953927e+00 -1.068042118e+00 -7.247817211e-01 2.54 -1.601480013e+00 -1.135776007e+00 -8.141001813e-01 2.56 -1.616315205e+00 -1.197255045e+00 -8.936971632e-01 2.58 -1.626773807e+00 -1.253001482e+00 -9.642724433e-01 2.60 -1.633145362e+00 -1.303493625e+00 -1.026469739e+00 2.62 -1.635696799e+00 -1.349169719e+00 -1.080881573e+00 2.64 -1.634674378e+00 -1.390431477e+00 -1.128053683e+00 2.66 -1.630305459e+00 -1.427647268e+00 -1.168489024e+00 2.68 -1.622800102e+00 -1.461155021e+00 -1.202651404e+00 2.70 -1.612352525e+00 -1.491264849e+00 -1.230968791e+00 2.72 -1.599142431e+00 -1.518261448e+00 -1.253836314e+00 2.74 -1.583336210e+00 -1.542406261e+00 -1.271619000e+00 2.76 -1.565211977e+00 -1.563891131e+00 -1.284902143e+00 2.78 -1.545647159e+00 -1.582650302e+00 -1.295466743e+00 2.80 -1.524875332e+00 -1.598847158e+00 -1.303803440e+00 2.82 -1.502996388e+00 -1.612677204e+00 -1.310133058e+00 2.84 -1.480102229e+00 -1.624320707e+00 -1.314658209e+00 2.86 -1.456277436e+00 -1.633943944e+00 -1.317564817e+00 2.88 -1.431599872e+00 -1.641621079e+00 -1.319023495e+00 2.90 -1.406141236e+00 -1.646717229e+00 -1.319190812e+00 2.92 -1.379967566e+00 -1.649185369e+00 -1.318210448e+00 2.94 -1.353139725e+00 -1.649170072e+00 -1.316214250e+00 2.96 -1.326224213e+00 -1.646806080e+00 -1.313323193e+00 2.98 -1.299754283e+00 -1.642219047e+00 -1.309648271e+00 3.00 -1.273754037e+00 -1.635526229e+00 -1.305291299e+00 3.02 -1.248244616e+00 -1.626837116e+00 -1.300345658e+00 3.04 -1.223244457e+00 -1.616254013e+00 -1.294896970e+00 3.06 -1.198671001e+00 -1.603872568e+00 -1.289023724e+00 3.08 -1.173840867e+00 -1.589782268e+00 -1.282797846e+00 3.10 -1.148647013e+00 -1.574066888e+00 -1.276285218e+00 3.12 -1.123119621e+00 -1.556804902e+00 -1.269546165e+00 3.14 -1.097286609e+00 -1.538069872e+00 -1.262635892e+00 3.16 -1.071173808e+00 -1.517930797e+00 -1.255604889e+00 3.18 -1.044819744e+00 -1.496452437e+00 -1.248476507e+00 3.20 -1.018621805e+00 -1.473695613e+00 -1.240707665e+00 3.22 -9.927564718e-01 -1.449717487e+00 -1.232093783e+00 3.24 -9.672315129e-01 -1.424571811e+00 -1.222687693e+00 3.26 -9.420535729e-01 -1.398309169e+00 -1.212538659e+00 3.28 -9.172282710e-01 -1.370977191e+00 -1.201692632e+00 3.30 -8.927602902e-01 -1.342620755e+00 -1.190192491e+00 3.32 -8.686534587e-01 -1.313282178e+00 -1.178078256e+00 3.34 -8.449108251e-01 -1.283001381e+00 -1.165387300e+00 3.36 -8.215347271e-01 -1.251816055e+00 -1.152154528e+00 3.38 -7.985268551e-01 -1.219997876e+00 -1.138412555e+00 3.40 -7.758883100e-01 -1.188548183e+00 -1.124191864e+00 3.42 -7.536196567e-01 -1.157580325e+00 -1.109520957e+00 3.44 -7.317209732e-01 -1.127098846e+00 -1.094426491e+00 3.46 -7.101918956e-01 -1.097107354e+00 -1.078933406e+00 3.48 -6.890316595e-01 -1.067608599e+00 -1.063065043e+00 3.50 -6.682391379e-01 -1.038604548e+00 -1.046843253e+00 3.52 -6.478128764e-01 -1.010096454e+00 -1.030288500e+00 3.54 -6.277511252e-01 -9.820849165e-01 -1.013419952e+00 3.56 -6.080518683e-01 -9.545699406e-01 -9.962555740e-01 3.58 -5.887128510e-01 -9.275509897e-01 -9.788122033e-01 3.60 -5.697316046e-01 -9.010270343e-01 -9.611056286e-01 3.62 -5.511054691e-01 -8.749965972e-01 -9.431506587e-01 3.64 -5.328316143e-01 -8.494577952e-01 -9.249611878e-01 3.66 -5.149070591e-01 -8.244083773e-01 -9.065502562e-01 3.68 -4.973286890e-01 -7.998457600e-01 -8.879301064e-01 3.70 -4.800932726e-01 -7.757670600e-01 -8.691122354e-01 3.72 -4.631974760e-01 -7.521691239e-01 -8.501074437e-01 3.74 -4.466378769e-01 -7.290485564e-01 -8.309258805e-01 3.76 -4.304109768e-01 -7.064017450e-01 -8.115770858e-01 3.78 -4.145132124e-01 -6.842248838e-01 -7.920700298e-01 3.80 -3.989409662e-01 -6.625139954e-01 -7.724131497e-01 3.82 -3.836905763e-01 -6.412649501e-01 -7.526143837e-01 3.84 -3.687583446e-01 -6.204734847e-01 -7.326812028e-01 3.86 -3.541405452e-01 -6.001352191e-01 -7.126206407e-01 3.88 -3.398334317e-01 -5.802456717e-01 -6.924393213e-01 3.90 -3.258332438e-01 -5.608002740e-01 -6.722173515e-01 3.92 -3.121362132e-01 -5.417943830e-01 -6.523282896e-01 3.94 -2.987385693e-01 -5.232232939e-01 -6.328206269e-01 3.96 -2.856365445e-01 -5.050822506e-01 -6.136912070e-01 3.98 -2.728263780e-01 -4.873664561e-01 -5.949367635e-01 4.00 -2.603043208e-01 -4.700710817e-01 -5.765539330e-01 4.02 -2.480666388e-01 -4.531912754e-01 -5.585392673e-01 4.04 -2.361096165e-01 -4.367221695e-01 -5.408892441e-01 4.06 -2.244295602e-01 -4.206588882e-01 -5.236002769e-01 4.08 -2.130228000e-01 -4.049965536e-01 -5.066687252e-01 4.10 -2.018856934e-01 -3.897302919e-01 -4.900909022e-01 4.12 -1.910146264e-01 -3.748552387e-01 -4.738630832e-01 4.14 -1.804060161e-01 -3.603665437e-01 -4.579815128e-01 4.16 -1.700563123e-01 -3.462593756e-01 -4.424424118e-01 4.18 -1.599619991e-01 -3.325289257e-01 -4.272419830e-01 4.20 -1.501195958e-01 -3.191704119e-01 -4.123764170e-01 4.22 -1.405256590e-01 -3.061790819e-01 -3.978418978e-01 4.24 -1.311767826e-01 -2.935502159e-01 -3.836346068e-01 4.26 -1.220695993e-01 -2.812791297e-01 -3.697507278e-01 4.28 -1.132007813e-01 -2.693611771e-01 -3.561864509e-01 4.30 -1.045670407e-01 -2.577917514e-01 -3.429379758e-01 4.32 -9.616513014e-02 -2.465662881e-01 -3.300015153e-01 4.34 -8.799184328e-02 -2.356802664e-01 -3.173732987e-01 4.36 -8.004401498e-02 -2.251292100e-01 -3.050495739e-01 4.38 -7.231852164e-02 -2.149086896e-01 -2.930266103e-01 4.40 -6.481228130e-02 -2.050143228e-01 -2.813007011e-01 4.42 -5.752225376e-02 -1.954417761e-01 -2.698681653e-01 4.44 -5.044544060e-02 -1.861867649e-01 -2.587253492e-01 4.46 -4.357888508e-02 -1.772450548e-01 -2.478686285e-01 4.48 -3.691967217e-02 -1.686124618e-01 -2.372944096e-01 4.50 -3.048826096e-02 -1.602848531e-01 -2.269991311e-01 4.52 -2.444325894e-02 -1.522581469e-01 -2.169792644e-01 4.54 -1.880992050e-02 -1.445283132e-01 -2.072313157e-01 4.56 -1.358217030e-02 -1.370913739e-01 -1.977518258e-01 4.58 -8.754043472e-03 -1.299434023e-01 -1.885373719e-01 4.60 -4.319683339e-03 -1.230805242e-01 -1.795845675e-01 4.62 -2.733391070e-04 -1.164989167e-01 -1.708900635e-01 4.64 3.390636354e-03 -1.101948088e-01 -1.624505484e-01 4.66 6.677788693e-03 -1.041644813e-01 -1.542627490e-01 4.68 9.593564209e-03 -9.840426583e-02 -1.463234303e-01 4.70 1.214331194e-02 -9.291054557e-02 -1.386293962e-01 4.72 1.433228568e-02 -8.767975424e-02 -1.311774892e-01 4.74 1.616564603e-02 -8.270837607e-02 -1.239645912e-01 4.76 1.764846227e-02 -7.799294533e-02 -1.169876228e-01 4.78 1.878571431e-02 -7.349569596e-02 -1.102435439e-01 4.80 1.958229455e-02 -6.915290239e-02 -1.037293536e-01 4.82 2.004300968e-02 -6.496139312e-02 -9.744208967e-02 4.84 2.017258249e-02 -6.091921936e-02 -9.137882905e-02 4.86 1.997565358e-02 -5.702445820e-02 -8.553668730e-02 4.88 1.945678304e-02 -5.327521239e-02 -7.991281859e-02 4.90 1.862045216e-02 -4.966961030e-02 -7.450441545e-02 4.92 1.747125724e-02 -4.620580569e-02 -6.930870853e-02 4.94 1.620576773e-02 -4.288197756e-02 -6.432296635e-02 4.96 1.499404443e-02 -3.969633000e-02 -5.954449500e-02 4.98 1.383527602e-02 -3.664709190e-02 -5.497063786e-02 5.00 1.272866881e-02 -3.373251684e-02 -5.059877527e-02 5.02 1.167344620e-02 -3.095088279e-02 -4.642632419e-02 5.04 1.066884815e-02 -2.830049191e-02 -4.245073787e-02 5.06 9.714130693e-03 -2.577967029e-02 -3.866950543e-02 5.08 8.808565449e-03 -2.338676771e-02 -3.508015156e-02 5.10 7.951439181e-03 -2.112015740e-02 -3.168023609e-02 5.12 7.142053343e-03 -1.897823574e-02 -2.846735360e-02 5.14 6.379723660e-03 -1.695942202e-02 -2.543913303e-02 5.16 5.663779719e-03 -1.506215818e-02 -2.259323727e-02 5.18 4.993564574e-03 -1.328490849e-02 -1.992736273e-02 5.20 4.368434368e-03 -1.162615932e-02 -1.743923898e-02 5.22 3.787757973e-03 -1.008441883e-02 -1.512662825e-02 5.24 3.250916631e-03 -8.658216714e-03 -1.298732507e-02 5.26 2.757303619e-03 -7.346103886e-03 -1.101915583e-02 5.28 2.306323926e-03 -6.146652222e-03 -9.219978334e-03 5.30 1.897393932e-03 -5.058454267e-03 -7.587681400e-03 5.32 1.529941108e-03 -4.080122947e-03 -6.120184420e-03 5.34 1.203403720e-03 -3.210291293e-03 -4.815436939e-03 5.36 9.172305506e-04 -2.447612153e-03 -3.671418229e-03 5.38 6.708806211e-04 -1.790757912e-03 -2.686136868e-03 5.40 4.638229307e-04 -1.238420209e-03 -1.857630314e-03 5.42 2.955362001e-04 -7.893096619e-04 -1.183964493e-03 5.44 1.655086259e-04 -4.421555835e-04 -6.632333753e-04 5.46 7.323764242e-05 -1.957057109e-04 -2.935585663e-04 5.48 1.822969154e-05 -4.872592902e-05 -7.308889353e-05 5.50 -5.828670879e-17 1.508376757e-16 5.162537065e-17 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00