# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Nouranian-S-Tschopp-M-A-Gwaltney-S-R-et-al--CH # implementation = 2014--Nouranian-S--CH--ipr1 # composition = C # 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 7.978410458e+01 nan nan nan nan 0.58 nan nan nan nan nan 7.272908427e+01 nan nan 2.216104508e+02 nan 0.60 nan nan nan nan nan 6.617249542e+01 nan nan 2.019046265e+02 nan 0.62 nan nan nan nan nan 6.008249891e+01 nan nan 1.837409306e+02 nan 0.64 nan 3.606010213e+02 nan nan nan 5.442917585e+01 nan nan 1.670055636e+02 nan 0.66 nan 3.285791468e+02 nan nan nan 4.918441593e+01 1.864722914e+02 nan 1.515928803e+02 2.180636672e+02 0.68 nan 2.990692393e+02 nan nan nan 4.432181220e+01 1.708001318e+02 nan 1.374048133e+02 2.004675033e+02 0.70 nan 2.718860999e+02 2.689625667e+02 nan nan 3.981656180e+01 1.562604571e+02 nan 1.243503372e+02 1.841078263e+02 0.72 4.178763361e+02 2.468577068e+02 2.473592626e+02 4.168292532e+02 4.157821704e+02 3.564537225e+01 1.427772402e+02 3.937225283e+02 1.123449710e+02 1.689035999e+02 0.74 3.850891121e+02 2.238242977e+02 2.272707394e+02 3.841145623e+02 3.831400126e+02 3.178637318e+01 1.302793469e+02 3.620081263e+02 1.013103145e+02 1.547788848e+02 0.76 3.545757745e+02 2.026375162e+02 2.085978497e+02 3.536689137e+02 3.527620529e+02 2.821903295e+01 1.187002287e+02 3.325439544e+02 9.117361852e+01 1.416625268e+02 0.78 3.261884226e+02 1.831596153e+02 1.912476768e+02 3.253447219e+02 3.245010213e+02 2.492408012e+01 1.079776357e+02 3.051804552e+02 8.186738422e+01 1.294878628e+02 0.80 2.997884128e+02 1.652627172e+02 1.751331534e+02 2.990036386e+02 2.982188644e+02 2.188342937e+01 9.805334611e+01 2.797776318e+02 7.332899150e+01 1.181924455e+02 0.82 2.752457936e+02 1.488281228e+02 1.601727029e+02 2.745159886e+02 2.737861835e+02 1.908011162e+01 8.887291297e+01 2.562044521e+02 6.550035305e+01 1.077177839e+02 0.84 2.524387745e+02 1.337456697e+02 1.462899029e+02 2.517602398e+02 2.510817051e+02 1.649820815e+01 8.038542650e+01 2.343382888e+02 5.832759284e+01 9.800910017e+01 0.86 2.312532262e+02 1.199131333e+02 1.334131680e+02 2.306225052e+02 2.299917842e+02 1.412278855e+01 7.254329101e+01 2.140643944e+02 5.176074726e+01 8.901510021e+01 0.88 2.115822117e+02 1.072356707e+02 1.214754525e+02 2.109960743e+02 2.104099369e+02 1.193985215e+01 6.530201568e+01 1.952754087e+02 4.575348727e+01 8.068775914e+01 0.90 1.933255454e+02 9.562530137e+01 1.104139712e+02 1.927809734e+02 1.922364013e+02 9.936272818e+00 5.862001826e+01 1.778708955e+02 4.026286007e+01 7.298211913e+01 0.92 1.763893779e+02 8.500042493e+01 1.001699358e+02 1.758835515e+02 1.753777251e+02 8.099747017e+00 5.245844095e+01 1.617569089e+02 3.524904899e+01 6.585609964e+01 0.94 1.606858072e+02 7.528537156e+01 9.068830919e+01 1.602160923e+02 1.597463774e+02 6.418744735e+00 4.678097767e+01 1.468455856e+02 3.067515020e+01 5.927031913e+01 0.96 1.461325122e+02 6.640998373e+01 8.191757249e+01 1.456964483e+02 1.452603843e+02 4.882463319e+00 4.155371211e+01 1.330547625e+02 2.650696518e+01 5.318792762e+01 0.98 1.326524090e+02 5.830922690e+01 7.380950790e+01 1.322476979e+02 1.318429869e+02 3.480783944e+00 3.674496577e+01 1.203076182e+02 2.271280784e+01 4.757444939e+01 1.00 1.201733274e+02 5.092282716e+01 6.631899383e+01 1.197978233e+02 1.194223191e+02 2.204230606e+00 3.232515549e+01 1.085323358e+02 1.926332511e+01 4.239763522e+01 1.02 1.086277079e+02 4.419493394e+01 5.940381262e+01 1.082794067e+02 1.079311054e+02 1.043931486e+00 2.826665983e+01 9.766178749e+01 1.613133024e+01 3.762732366e+01 1.04 9.795231569e+01 3.807380628e+01 5.302447007e+01 9.762934640e+01 9.730637711e+01 -8.417447515e-03 2.454369382e+01 8.763323797e+01 1.329164786e+01 3.323531073e+01 1.06 8.808797318e+01 3.251152072e+01 4.714402581e+01 8.778858923e+01 8.748920527e+01 -9.605867173e-01 2.113219144e+01 7.838806643e+01 1.072096985e+01 2.919522753e+01 1.08 7.897930813e+01 2.746369965e+01 4.172793405e+01 7.870187917e+01 7.842445020e+01 -1.819845630e+00 1.800969548e+01 6.987150579e+01 8.397721535e+00 2.548242536e+01 1.10 7.057451721e+01 2.288925852e+01 3.674389398e+01 7.031752160e+01 7.006052600e+01 -2.592992683e+00 1.515525432e+01 6.203239804e+01 6.301937137e+00 2.207386782e+01 1.12 6.282514387e+01 1.875017061e+01 3.216170940e+01 6.258716168e+01 6.234917948e+01 -3.286384199e+00 1.254932512e+01 5.482296476e+01 4.415144155e+00 1.894802955e+01 1.14 5.568586987e+01 1.501124835e+01 2.795315676e+01 5.546557615e+01 5.524528243e+01 -3.905961289e+00 1.017368307e+01 4.819859196e+01 2.720255835e+00 1.608480112e+01 1.16 4.911431927e+01 1.163993973e+01 2.409186141e+01 4.891047795e+01 4.870663662e+01 -4.457275231e+00 8.011336349e+00 4.211762819e+01 1.201471253e+00 1.346539979e+01 1.18 4.307087458e+01 8.606139117e+00 2.055318129e+01 4.288233261e+01 4.269379065e+01 -4.945511370e+00 6.046446426e+00 3.654119532e+01 -1.558175396e-01 1.107228570e+01 1.20 3.751850400e+01 5.882011230e+00 1.731409789e+01 3.734418596e+01 3.716986792e+01 -5.375511605e+00 4.264253363e+00 3.143301106e+01 -1.365111805e+00 8.889083270e+00 1.22 3.242259923e+01 3.441827442e+00 1.435311373e+01 3.226150223e+01 3.210040522e+01 -5.751795560e+00 2.651005814e+00 2.675922251e+01 -2.438886304e+00 6.900507363e+00 1.24 2.775082322e+01 1.261813610e+00 1.165015626e+01 2.760201214e+01 2.745320106e+01 -6.078580502e+00 1.193895441e+00 2.248825023e+01 -3.388663799e+00 5.092294047e+00 1.26 2.347296725e+01 -6.799914274e-01 9.186487633e+00 2.333557030e+01 2.319817335e+01 -6.359800081e+00 -1.190045370e-01 1.859064190e+01 -4.225084279e+00 3.451135601e+00 1.28 1.956081667e+01 -2.403867386e+00 6.944619968e+00 1.943402124e+01 1.930722580e+01 -6.599121971e+00 -1.298796909e+00 1.503893531e+01 -4.957969272e+00 1.964619540e+00 1.30 1.598802503e+01 -3.928534812e+00 4.908235924e+00 1.587107376e+01 1.575412249e+01 -6.799964455e+00 -2.355814400e+00 1.180752976e+01 -5.596381599e+00 6.211714074e-01 1.32 1.272999581e+01 -5.271268729e+00 3.062114116e+00 1.262218298e+01 1.251437015e+01 -6.965512025e+00 -3.299670180e+00 8.872565684e+00 -6.148680867e+00 -5.899988890e-01 1.34 9.763771469e+00 -6.448004259e+00 1.392059154e+00 9.664439568e+00 9.565107668e+00 -7.098730065e+00 -4.139305175e+00 6.211811736e+00 -6.622575034e+00 -1.678947420e+00 1.36 7.067929358e+00 -7.473434766e+00 -1.151639902e-01 6.976465903e+00 6.885002448e+00 -7.202378638e+00 -4.883032362e+00 3.804559035e+00 -7.025168284e+00 -2.655043449e+00 1.38 4.622483987e+00 -8.361103048e+00 -1.471891554e+00 4.538318536e+00 4.454153085e+00 -7.279025473e+00 -5.538578258e+00 1.631522048e+00 -7.363005501e+00 -3.527013714e+00 1.40 2.408795370e+00 -9.123486059e+00 -2.689618732e+00 2.331396733e+00 2.253998097e+00 -7.331058151e+00 -6.113121761e+00 -3.252542720e-01 -7.642113568e+00 -4.302983951e+00 1.42 4.094830167e-01 -9.772073610e+00 -3.779053848e+00 3.383566488e-01 2.672302809e-01 -7.360695577e+00 -6.613330509e+00 -2.082481476e+00 -7.868039709e+00 -4.990517829e+00 1.44 -1.391654744e+00 -1.031744146e+01 -4.750169140e+00 -1.456969187e+00 -1.522283631e+00 -7.369998752e+00 -7.045394923e+00 -3.655709110e+00 -8.045887093e+00 -5.596653458e+00 1.46 -3.009716450e+00 -1.076931920e+01 -5.612248401e+00 -3.069647392e+00 -3.129578333e+00 -7.360880898e+00 -7.415060063e+00 -5.059401044e+00 -8.180347891e+00 -6.127937606e+00 1.48 -4.458768484e+00 -1.113665328e+01 -6.373931634e+00 -4.513714560e+00 -4.568660635e+00 -7.335116972e+00 -7.727655448e+00 -6.307006955e+00 -8.275733951e+00 -6.590457782e+00 1.50 -5.751911648e+00 -1.142766555e+01 -7.043256922e+00 -5.802243700e+00 -5.852575752e+00 -7.294352600e+00 -7.988122955e+00 -7.411029269e+00 -8.336005281e+00 -6.989872296e+00 1.52 -6.901343588e+00 -1.164990757e+01 -7.627699676e+00 -6.947406530e+00 -6.993469471e+00 -7.240112474e+00 -8.201042928e+00 -8.383085849e+00 -8.364796473e+00 -7.331438442e+00 1.54 -7.918417329e+00 -1.181031104e+01 -8.134209425e+00 -7.960531888e+00 -8.002646447e+00 -7.173808235e+00 -8.370658602e+00 -9.233968674e+00 -8.365441231e+00 -7.620038892e+00 1.56 -8.813696156e+00 -1.191523458e+01 -8.569244295e+00 -8.852160502e+00 -8.890624847e+00 -7.096745869e+00 -8.500898945e+00 -9.973698785e+00 -8.340995126e+00 -7.860206440e+00 1.58 -9.597005060e+00 -1.197050716e+01 -8.938803314e+00 -9.632096326e+00 -9.667187592e+00 -7.010132661e+00 -8.595400033e+00 -1.061157771e+01 -8.294256699e+00 -8.056147171e+00 1.60 -1.027747896e+01 -1.198146838e+01 -9.248456692e+00 -1.030945467e+01 -1.034143038e+01 -6.915083714e+00 -8.657525027e+00 -1.115623559e+01 -8.227787048e+00 -8.211762173e+00 1.62 -1.086360791e+01 -1.195300585e+01 -9.503374179e+00 -1.089270729e+01 -1.092180668e+01 -6.812628070e+00 -8.690382863e+00 -1.161567625e+01 -8.143927982e+00 -8.330667860e+00 1.64 -1.136327944e+01 -1.188958980e+01 -9.708351635e+00 -1.138972470e+01 -1.141616995e+01 -6.703714452e+00 -8.696845714e+00 -1.199731928e+01 -8.044818862e+00 -8.416215019e+00 1.66 -1.178381828e+01 -1.179530524e+01 -9.867835917e+00 -1.180781571e+01 -1.183181315e+01 -6.589216653e+00 -8.679565329e+00 -1.230803955e+01 -7.932412214e+00 -8.471506630e+00 1.68 -1.213202349e+01 -1.167388175e+01 -9.985948184e+00 -1.215376461e+01 -1.217550574e+01 -6.469938585e+00 -8.640988284e+00 -1.255420406e+01 -7.808488196e+00 -8.499414555e+00 1.70 -1.241420336e+01 -1.152872105e+01 -1.006650572e+01 -1.243386589e+01 -1.245352842e+01 -6.346619023e+00 -8.583370255e+00 -1.274170641e+01 -7.674668018e+00 -8.502595165e+00 1.72 -1.263620799e+01 -1.136292265e+01 -1.011304236e+01 -1.265395681e+01 -1.267170563e+01 -6.219936041e+00 -8.508789332e+00 -1.287599914e+01 -7.532426364e+00 -8.483503954e+00 1.74 -1.280345989e+01 -1.117930748e+01 -1.012882763e+01 -1.281944791e+01 -1.283543593e+01 -6.090511179e+00 -8.419158476e+00 -1.296212383e+01 -7.383102913e+00 -8.444409225e+00 1.76 -1.292098257e+01 -1.098043990e+01 -1.011688465e+01 -1.293535156e+01 -1.294972056e+01 -5.958913344e+00 -8.316237144e+00 -1.300473936e+01 -7.227913003e+00 -8.387404891e+00 1.78 -1.299342735e+01 -1.076864803e+01 -1.008000686e+01 -1.300630873e+01 -1.301919010e+01 -5.825662468e+00 -8.201642143e+00 -1.300814827e+01 -7.067957508e+00 -8.314422446e+00 1.80 -1.302509845e+01 -1.054604256e+01 -1.002077373e+01 -1.303661396e+01 -1.304812947e+01 -5.691232929e+00 -8.076857772e+00 -1.297632141e+01 -6.904231989e+00 -8.227242174e+00 1.82 -1.301997644e+01 -1.031453417e+01 -9.941565427e+00 -1.303023886e+01 -1.304050128e+01 -5.556056759e+00 -7.943245285e+00 -1.291292094e+01 -6.737635155e+00 -8.127503613e+00 1.84 -1.298174028e+01 -1.007584971e+01 -9.844576500e+00 -1.299085402e+01 -1.299996776e+01 -5.420526648e+00 -7.802051722e+00 -1.282132191e+01 -6.568976704e+00 -8.016715360e+00 1.86 -1.291378781e+01 -9.831547061e+00 -9.731828747e+00 -1.292184951e+01 -1.292991121e+01 -5.284998752e+00 -7.654418152e+00 -1.270463233e+01 -6.398984569e+00 -7.896264215e+00 1.88 -1.281925503e+01 -9.583028987e+00 -9.605183195e+00 -1.282635410e+01 -1.283345316e+01 -5.149795324e+00 -7.501387363e+00 -1.256571194e+01 -6.228311628e+00 -7.767423751e+00 1.90 -1.270103411e+01 -9.331555870e+00 -9.466351322e+00 -1.270725323e+01 -1.271347235e+01 -5.015207175e+00 -7.343911037e+00 -1.240718981e+01 -6.057541902e+00 -7.631362299e+00 1.92 -1.256179019e+01 -9.078257522e+00 -9.316905541e+00 -1.256720580e+01 -1.257262140e+01 -4.881495973e+00 -7.182856432e+00 -1.223148063e+01 -5.887196293e+00 -7.489150427e+00 1.94 -1.240397716e+01 -8.824144085e+00 -9.158289001e+00 -1.240865988e+01 -1.241334259e+01 -4.748896393e+00 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