# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Broqvist-P-Kullgren-J-Wolf-M-J-et-al--Ce-O # implementation = 2015--Broqvist-P--Ce-O--LAMMPS--ipr2 # composition = Ce3O # 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 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 nan nan nan 1.50 nan nan nan 1.52 nan nan nan 1.54 nan nan nan 1.56 nan nan nan 1.58 nan nan nan 1.60 nan nan nan 1.62 nan nan nan 1.64 nan nan nan 1.66 nan nan nan 1.68 nan nan nan 1.70 nan nan nan 1.72 nan nan nan 1.74 nan nan nan 1.76 nan nan nan 1.78 nan nan nan 1.80 nan nan nan 1.82 nan nan nan 1.84 nan nan nan 1.86 nan nan nan 1.88 nan nan nan 1.90 8.862600380e+02 nan nan 1.92 8.015250399e+02 nan nan 1.94 7.234296365e+02 nan nan 1.96 6.520475099e+02 nan nan 1.98 5.869338371e+02 nan nan 2.00 5.276030683e+02 nan nan 2.02 4.735004547e+02 nan nan 2.04 4.240641786e+02 nan nan 2.06 3.787669633e+02 9.257321202e+02 nan 2.08 3.370692029e+02 8.492115702e+02 nan 2.10 2.987041220e+02 7.765508789e+02 9.830163862e+02 2.12 2.632452952e+02 7.079945211e+02 9.000489188e+02 2.14 2.304115033e+02 6.437246718e+02 8.221813659e+02 2.16 1.999569996e+02 5.837336657e+02 7.494581802e+02 2.18 1.718502628e+02 5.282040707e+02 6.820709335e+02 2.20 1.457613211e+02 4.768993105e+02 6.197544565e+02 2.22 1.215445894e+02 4.296049467e+02 5.622630773e+02 2.24 9.911220772e+01 3.860445149e+02 5.092497766e+02 2.26 7.836738072e+01 3.459139369e+02 4.605003747e+02 2.28 5.923293166e+01 3.089052389e+02 4.155954175e+02 2.30 4.162566950e+01 2.746542282e+02 3.740027527e+02 2.32 2.546398488e+01 2.430356109e+02 3.353348097e+02 2.34 1.066687818e+01 2.137278293e+02 2.995024189e+02 2.36 -2.846606510e+00 1.865165538e+02 2.661922035e+02 2.38 -1.515741697e+01 1.612162480e+02 2.352028306e+02 2.40 -2.634630446e+01 1.376681779e+02 2.063620447e+02 2.42 -3.649352523e+01 1.157372701e+02 1.795214828e+02 2.44 -4.567796398e+01 9.530840713e+01 1.545516335e+02 2.46 -5.397539619e+01 7.628284077e+01 1.313373230e+02 2.48 -6.150263536e+01 5.857497952e+01 1.097740766e+02 2.50 -6.745244435e+01 4.211114940e+01 8.976935829e+01 2.52 -6.972448373e+01 2.681794094e+01 7.121992288e+01 2.54 -7.204540699e+01 1.263610899e+01 5.404648316e+01 2.56 -7.440397794e+01 -4.922969302e-01 3.816775468e+01 2.58 -7.685642019e+01 -1.262334251e+01 2.350334458e+01 2.60 -7.943317871e+01 -2.381102248e+01 9.976010004e+00 2.62 -8.213995326e+01 -3.410324895e+01 -2.488209697e+00 2.64 -8.495670370e+01 -4.356704226e+01 -1.395981745e+01 2.66 -8.783153346e+01 -5.223847269e+01 -2.450585595e+01 2.68 -9.067036443e+01 -6.017546637e+01 -3.418998546e+01 2.70 -9.337505174e+01 -6.759772611e+01 -4.307262461e+01 2.72 -9.581595448e+01 -7.068490450e+01 -5.121095878e+01 2.74 -9.789639473e+01 -7.356717210e+01 -5.865848502e+01 2.76 -9.956315832e+01 -7.649634971e+01 -6.546689520e+01 2.78 -1.008459794e+02 -7.948576586e+01 -7.186343658e+01 2.80 -1.018240238e+02 -8.253711713e+01 -7.570778352e+01 2.82 -1.025768307e+02 -8.563760355e+01 -7.761166455e+01 2.84 -1.031622435e+02 -8.876219000e+01 -7.955518288e+01 2.86 -1.036147849e+02 -9.187243322e+01 -8.154063628e+01 2.88 -1.039527990e+02 -9.491225980e+01 -8.360417255e+01 2.90 -1.041860176e+02 -9.780654245e+01 -8.576221933e+01 2.92 -1.043207598e+02 -1.004703203e+02 -8.803163977e+01 2.94 -1.043627952e+02 -1.028247143e+02 -9.039144136e+01 2.96 -1.043185644e+02 -1.048077796e+02 -9.281379646e+01 2.98 -1.041956641e+02 -1.063825072e+02 -9.524884485e+01 3.00 -1.040034936e+02 -1.075643341e+02 -9.762418961e+01 3.02 -1.037531423e+02 -1.084122065e+02 -9.985488649e+01 3.04 -1.034572727e+02 -1.089961399e+02 -1.018587588e+02 3.06 -1.031311729e+02 -1.093772369e+02 -1.035670497e+02 3.08 -1.027937207e+02 -1.095989998e+02 -1.049361448e+02 3.10 -1.024679955e+02 -1.096996972e+02 -1.059770404e+02 3.12 -1.021801092e+02 -1.096928316e+02 -1.067421342e+02 3.14 -1.019524277e+02 -1.095926527e+02 -1.072930833e+02 3.16 -1.017840784e+02 -1.094100074e+02 -1.076818389e+02 3.18 -1.016113874e+02 -1.091540747e+02 -1.079445266e+02 3.20 -1.012582335e+02 -1.088332826e+02 -1.081034597e+02 3.22 -1.004358299e+02 -1.084557167e+02 -1.081717901e+02 3.24 -9.887464499e+01 -1.080293632e+02 -1.081576760e+02 3.26 -9.652749965e+01 -1.075625170e+02 -1.080671192e+02 3.28 -9.361037004e+01 -1.070639067e+02 -1.079055841e+02 3.30 -9.043186995e+01 -1.065433514e+02 -1.076787449e+02 3.32 -8.722774124e+01 -1.060090500e+02 -1.073927245e+02 3.34 -8.412166562e+01 -1.054739419e+02 -1.070543246e+02 3.36 -8.115906298e+01 -1.049517351e+02 -1.066711882e+02 3.38 -7.834672225e+01 -1.044522987e+02 -1.062512670e+02 3.40 -7.567697301e+01 -1.039853502e+02 -1.058027324e+02 3.42 -7.314240366e+01 -1.035775423e+02 -1.053342059e+02 3.44 -7.072342388e+01 -1.032138623e+02 -1.048548458e+02 3.46 -6.841829898e+01 -1.028473390e+02 -1.043745108e+02 3.48 -6.621986585e+01 -1.023297499e+02 -1.039039813e+02 3.50 -6.412233239e+01 -1.014783588e+02 -1.034550927e+02 3.52 -6.212086392e+01 -1.001652619e+02 -1.030404695e+02 3.54 -6.021125535e+01 -9.840986222e+01 -1.026722028e+02 3.56 -5.839921910e+01 -9.636269488e+01 -1.023587049e+02 3.58 -5.672057268e+01 -9.419795806e+01 -1.020956985e+02 3.60 -5.511371275e+01 -9.203101051e+01 -1.018575048e+02 3.62 -5.357670338e+01 -8.990200885e+01 -1.015789646e+02 3.64 -5.210748689e+01 -8.779516537e+01 -1.011434733e+02 3.66 -5.070388128e+01 -8.566715499e+01 -1.003945307e+02 3.68 -4.936359115e+01 -8.347699185e+01 -9.918703678e+01 3.70 -4.808423126e+01 -8.121005014e+01 -9.745979544e+01 3.72 -4.686335107e+01 -7.888469038e+01 -9.527157762e+01 3.74 -4.569845427e+01 -7.653969760e+01 -9.276621181e+01 3.76 -4.458699817e+01 -7.421540369e+01 -9.010173013e+01 3.78 -4.352640569e+01 -7.194170064e+01 -8.739983406e+01 3.80 -4.251408990e+01 -6.973562177e+01 -8.473343368e+01 3.82 -4.154747797e+01 -6.760569173e+01 -8.214102449e+01 3.84 -4.062403352e+01 -6.554933216e+01 -7.962353889e+01 3.86 -3.974127712e+01 -6.356718942e+01 -7.718771702e+01 3.88 -3.889680464e+01 -6.165617292e+01 -7.482843904e+01 3.90 -3.808830309e+01 -5.981305229e+01 -7.253970563e+01 3.92 -3.731356414e+01 -5.803485668e+01 -7.031615121e+01 3.94 -3.657049492e+01 -5.631899828e+01 -6.815352342e+01 3.96 -3.585712633e+01 -5.466327085e+01 -6.604869764e+01 3.98 -3.517161887e+01 -5.307175849e+01 -6.400847689e+01 4.00 -3.451226596e+01 -5.156603955e+01 -6.206638313e+01 4.02 -3.387749511e+01 -5.011039991e+01 -6.017008591e+01 4.04 -3.326586690e+01 -4.870422632e+01 -5.832018308e+01 4.06 -3.267607213e+01 -4.734693846e+01 -5.651743014e+01 4.08 -3.210692724e+01 -4.603796477e+01 -5.476265535e+01 4.10 -3.152209290e+01 -4.477672509e+01 -5.305669602e+01 4.12 -3.103290124e+01 -4.356261859e+01 -5.140035616e+01 4.14 -3.055451216e+01 -4.239501543e+01 -4.979437807e+01 4.16 -3.008718783e+01 -4.127325116e+01 -4.823941730e+01 4.18 -2.963115940e+01 -4.019662308e+01 -4.673602367e+01 4.20 -2.918662623e+01 -3.916438792e+01 -4.528462771e+01 4.22 -2.875375535e+01 -3.817576043e+01 -4.388553117e+01 4.24 -2.833268120e+01 -3.722991275e+01 -4.253890075e+01 4.26 -2.792350552e+01 -3.632597418e+01 -4.124476453e+01 4.28 -2.752629764e+01 -3.546303140e+01 -4.000301053e+01 4.30 -2.714109583e+01 -3.464012902e+01 -3.881338710e+01 4.32 -2.676790932e+01 -3.385627034e+01 -3.767550493e+01 4.34 -2.640671946e+01 -3.308307546e+01 -3.658884044e+01 4.36 -2.605748086e+01 -3.239543810e+01 -3.555274039e+01 4.38 -2.572012247e+01 -3.174029457e+01 -3.456642756e+01 4.40 -2.539454461e+01 -3.111696244e+01 -3.362900742e+01 4.42 -2.508061338e+01 -3.052468587e+01 -3.273947562e+01 4.44 -2.477816156e+01 -2.996264126e+01 -3.189672615e+01 4.46 -2.448699082e+01 -2.942994331e+01 -3.109956020e+01 4.48 -2.420687405e+01 -2.892565133e+01 -3.034669544e+01 4.50 -2.393755820e+01 -2.844877587e+01 -2.963677445e+01 4.52 -2.367876788e+01 -2.799828546e+01 -2.896836999e+01 4.54 -2.343020846e+01 -2.757311353e+01 -2.833999316e+01 4.56 -2.319156868e+01 -2.717216523e+01 -2.775010362e+01 4.58 -2.296252323e+01 -2.679432442e+01 -2.719711985e+01 4.60 -2.274273533e+01 -2.643846039e+01 -2.667942929e+01 4.62 -2.253185927e+01 -2.610343454e+01 -2.619539825e+01 4.64 -2.232954287e+01 -2.578810681e+01 -2.574338149e+01 4.66 -2.213542985e+01 -2.549134188e+01 -2.532173153e+01 4.68 -2.194916209e+01 -2.521201503e+01 -2.492880737e+01 4.70 -2.177038177e+01 -2.494901772e+01 -2.456298281e+01 4.72 -2.159873336e+01 -2.470126270e+01 -2.422265415e+01 4.74 -2.143386553e+01 -2.446768877e+01 -2.390624726e+01 4.76 -2.127543273e+01 -2.424726508e+01 -2.361222402e+01 4.78 -2.112309680e+01 -2.403899499e+01 -2.333908810e+01 4.80 -2.097652829e+01 -2.384191942e+01 -2.308538997e+01 4.82 -2.083540759e+01 -2.365511975e+01 -2.284973122e+01 4.84 -2.069942596e+01 -2.347772025e+01 -2.263076823e+01 4.86 -2.056828628e+01 -2.330888999e+01 -2.242721499e+01 4.88 -2.044170377e+01 -2.314784435e+01 -2.223784537e+01 4.90 -2.031940634e+01 -2.299384600e+01 -2.206149464e+01 4.92 -2.020113498e+01 -2.284620553e+01 -2.189706030e+01 4.94 -2.008664387e+01 -2.270428162e+01 -2.174350244e+01 4.96 -1.997570036e+01 -2.256748082e+01 -2.159984342e+01 4.98 -1.986808487e+01 -2.243525707e+01 -2.146516702e+01 5.00 -1.975770633e+01 -2.227988051e+01 -2.130095776e+01 5.02 -1.965247318e+01 -2.215720595e+01 -2.118135007e+01 5.04 -1.956240227e+01 -2.205922880e+01 -2.110372183e+01 5.06 -1.947370316e+01 -2.196087425e+01 -2.102717696e+01 5.08 -1.938636622e+01 -2.186219544e+01 -2.095166953e+01 5.10 -1.930038127e+01 -2.176324755e+01 -2.087715472e+01 5.12 -1.921573756e+01 -2.166408790e+01 -2.080358887e+01 5.14 -1.913242386e+01 -2.156477598e+01 -2.073092950e+01 5.16 -1.905042845e+01 -2.146537344e+01 -2.065913540e+01 5.18 -1.896973909e+01 -2.136594414e+01 -2.058816666e+01 5.20 -1.889034312e+01 -2.126655413e+01 -2.051798469e+01 5.22 -1.881222739e+01 -2.116727163e+01 -2.044855230e+01 5.24 -1.873537835e+01 -2.106816687e+01 -2.037983370e+01 5.26 -1.865978198e+01 -2.096931020e+01 -2.031179454e+01 5.28 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-1.917344969e+01 5.64 -1.744225337e+01 -1.921290114e+01 -1.911389267e+01 5.66 -1.738883474e+01 -1.912982781e+01 -1.905466510e+01 5.68 -1.733640763e+01 -1.904789480e+01 -1.899576714e+01 5.70 -1.728495924e+01 -1.896711899e+01 -1.893720064e+01 5.72 -1.723447604e+01 -1.888751528e+01 -1.887896914e+01 5.74 -1.718494369e+01 -1.880909660e+01 -1.882107788e+01 5.76 -1.713634711e+01 -1.873187395e+01 -1.876353376e+01 5.78 -1.708867044e+01 -1.865585643e+01 -1.870634534e+01 5.80 -1.704189717e+01 -1.858105131e+01 -1.864952261e+01 5.82 -1.699601087e+01 -1.850746405e+01 -1.859307583e+01 5.84 -1.695099549e+01 -1.843509834e+01 -1.853701502e+01 5.86 -1.690683541e+01 -1.836395611e+01 -1.848134988e+01 5.88 -1.686351536e+01 -1.829403760e+01 -1.842608984e+01 5.90 -1.682102047e+01 -1.822534137e+01 -1.837124405e+01 5.92 -1.677933621e+01 -1.815786433e+01 -1.831682137e+01 5.94 -1.673844842e+01 -1.809160177e+01 -1.826283039e+01 5.96 -1.669834326e+01 -1.802654737e+01 -1.820927940e+01 5.98 -1.665900723e+01 -1.796269324e+01 -1.815617641e+01 6.00 -1.662042716e+01 -1.790002993e+01 -1.810352918e+01