# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2008--Kim-Y-M-Lee-B-J--Ti-C # implementation = 2008--Kim-Y-M--Ti-C--LAMMPS--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 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 9.021611120e+01 nan nan nan nan 0.76 nan nan nan nan nan 8.143168968e+01 nan nan nan nan 0.78 nan nan nan nan nan 7.334152054e+01 nan nan 3.837200382e+02 nan 0.80 nan nan nan nan nan 6.589576090e+01 nan nan 3.490344974e+02 nan 0.82 nan nan nan nan nan 5.904795315e+01 nan nan 3.172330770e+02 nan 0.84 nan nan nan nan nan 5.275480317e+01 nan nan 2.880899847e+02 nan 0.86 nan 8.175416410e+02 nan nan nan 4.697597274e+01 4.090975871e+02 nan 2.613962088e+02 4.833551459e+02 0.88 nan 7.462537617e+02 nan nan nan 4.167388525e+01 3.749847762e+02 nan 2.369583259e+02 4.444737739e+02 0.90 nan 6.808431206e+02 nan nan nan 3.681354382e+01 3.434761472e+02 nan 2.145973911e+02 4.084596679e+02 0.92 nan 6.208487834e+02 6.937665687e+02 nan nan 3.236236105e+01 3.143862088e+02 nan 1.941479057e+02 3.751159397e+02 0.94 nan 5.658441049e+02 6.382807033e+02 nan nan 2.828999978e+01 2.875418580e+02 8.008178768e+02 1.754568551e+02 3.442583344e+02 0.96 7.975219875e+02 5.154343242e+02 5.869507997e+02 7.928097169e+02 7.880974463e+02 2.456822398e+01 2.627816000e+02 7.376970704e+02 1.583828141e+02 3.157144695e+02 0.98 7.358202182e+02 4.692543191e+02 5.394826698e+02 7.315029098e+02 7.271856013e+02 2.117075936e+01 2.399548162e+02 6.792494958e+02 1.427951129e+02 2.893231180e+02 1.00 6.786009278e+02 4.269665096e+02 4.956017968e+02 6.746461423e+02 6.706913568e+02 1.807316287e+01 2.189210759e+02 6.251483014e+02 1.285730615e+02 2.649335325e+02 1.02 6.255565899e+02 3.882589004e+02 4.550520949e+02 6.219345113e+02 6.183124327e+02 1.525270062e+01 1.995494905e+02 5.750881719e+02 1.156052271e+02 2.424048093e+02 1.04 5.763995471e+02 3.528432535e+02 4.175947441e+02 5.730827731e+02 5.697659990e+02 1.268823380e+01 1.817181063e+02 5.287839969e+02 1.037887609e+02 2.216052888e+02 1.06 5.308608069e+02 3.204533839e+02 3.830070947e+02 5.278241558e+02 5.247875047e+02 1.036011186e+01 1.653133339e+02 4.859696170e+02 9.302877258e+01 2.024119902e+02 1.08 4.886889067e+02 2.908435683e+02 3.510816378e+02 4.859092399e+02 4.831295732e+02 8.250072704e+00 1.502294126e+02 4.463966438e+02 8.323774684e+01 1.847100793e+02 1.10 4.496488435e+02 2.637870621e+02 3.216250368e+02 4.471049021e+02 4.445609606e+02 6.341149306e+00 1.363679065e+02 4.098333491e+02 7.433500134e+01 1.683923668e+02 1.12 4.135210662e+02 2.390747157e+02 2.944572180e+02 4.111933195e+02 4.088655729e+02 4.617582448e+00 1.236372309e+02 3.760636183e+02 6.624618188e+01 1.533588351e+02 1.14 3.801005240e+02 2.165136858e+02 2.694105161e+02 3.779710318e+02 3.758415397e+02 3.064739118e+00 1.119522085e+02 3.448859667e+02 5.890279301e+01 1.395161933e+02 1.16 3.491957714e+02 1.959262338e+02 2.463288700e+02 3.472480557e+02 3.453003401e+02 1.669036241e+00 1.012336510e+02 3.161126124e+02 5.224176139e+01 1.267774568e+02 1.18 3.206281236e+02 1.771486075e+02 2.250670692e+02 3.188470512e+02 3.170659788e+02 4.178693949e-01 9.140796694e+01 2.895686043e+02 4.620502999e+01 1.150615523e+02 1.20 2.942308609e+02 1.600299997e+02 2.054900440e+02 2.926025352e+02 2.909742095e+02 -7.004538059e-01 8.240679310e+01 2.650910024e+02 4.073918083e+01 1.042929452e+02 1.22 2.698484798e+02 1.444315792e+02 1.874722006e+02 2.683601411e+02 2.668718025e+02 -1.696775955e+00 7.416664872e+01 2.425281054e+02 3.579508450e+01 9.440128842e+01 1.24 2.473359866e+02 1.302255893e+02 1.708967960e+02 2.459759208e+02 2.446158549e+02 -2.581148008e+00 6.662861052e+01 2.217387253e+02 3.132757465e+01 8.532109248e+01 1.26 2.265582332e+02 1.172945101e+02 1.556553513e+02 2.253156869e+02 2.240731406e+02 -3.362883611e+00 5.973800793e+01 2.025915052e+02 2.729514576e+01 7.699141425e+01 1.28 2.073892913e+02 1.055302802e+02 1.416471016e+02 2.062543945e+02 2.051194977e+02 -4.050609838e+00 5.344413716e+01 1.849642776e+02 2.365967260e+01 6.935556439e+01 1.30 1.897118631e+02 9.483357301e+01 1.287784797e+02 1.886755577e+02 1.876392523e+02 -4.652314583e+00 4.769999296e+01 1.687434622e+02 2.038615003e+01 6.236083199e+01 1.32 1.734167276e+02 8.511312578e+01 1.169626318e+02 1.724707017e+02 1.715246757e+02 -5.175390809e+00 4.246201715e+01 1.538234995e+02 1.744245163e+01 5.595822555e+01 1.34 1.584022190e+02 7.628511671e+01 1.061189645e+02 1.575388463e+02 1.566754735e+02 -5.626677863e+00 3.768986298e+01 1.401063194e+02 1.479910598e+01 5.010222952e+01 1.36 1.445737368e+02 6.827258717e+01 9.617271846e+01 1.437860210e+02 1.429983052e+02 -6.012500043e+00 3.334617428e+01 1.275008422e+02 1.242908930e+01 4.475057541e+01 1.38 1.318432848e+02 6.100490630e+01 8.705457113e+01 1.311248086e+02 1.304063324e+02 -6.338702596e+00 2.939637872e+01 1.159225104e+02 1.030763346e+01 3.986402672e+01 1.40 1.201290384e+02 5.441727483e+01 7.870026322e+01 1.194739161e+02 1.188187939e+02 -6.610685313e+00 2.580849425e+01 1.052928495e+02 8.412048154e+00 3.540617697e+01 1.42 1.093549374e+02 4.845026569e+01 7.105024974e+01 1.087577721e+02 1.081606067e+02 -6.833433875e+00 2.255294789e+01 9.553905622e+01 6.721556327e+00 3.134326012e+01 1.44 9.945030498e+01 4.304939874e+01 6.404937340e+01 9.890614805e+01 9.836199113e+01 -7.011549096e+00 1.960240639e+01 8.659361271e+01 5.217141961e+00 2.764397255e+01 1.46 9.034948821e+01 3.816474738e+01 5.764655903e+01 8.985380331e+01 8.935811841e+01 -7.149274204e+00 1.693161780e+01 7.839392480e+01 3.881409289e+00 2.427930618e+01 1.48 8.199152250e+01 3.375057477e+01 5.179452804e+01 8.154015157e+01 8.108878065e+01 -7.250520282e+00 1.451726344e+01 7.088198354e+01 2.698452672e+00 2.122239193e+01 1.50 7.431981581e+01 2.976499757e+01 4.644953142e+01 7.390894821e+01 7.349808062e+01 -7.318889988e+00 1.233781965e+01 6.400404825e+01 1.653736370e+00 1.844835298e+01 1.52 6.728185304e+01 2.616967538e+01 4.157110043e+01 6.690799707e+01 6.653414111e+01 -7.357699675e+00 1.037342870e+01 5.771034999e+01 7.339835022e-01 1.593416739e+01 1.54 6.082891888e+01 2.292952386e+01 3.712181372e+01 6.048887561e+01 6.014883233e+01 -7.370000002e+00 8.605778286e+00 5.195481417e+01 -7.292646472e-02 1.365853936e+01 1.56 5.491583825e+01 2.001245008e+01 3.306708003e+01 5.460667745e+01 5.429751665e+01 -7.358595154e+00 7.017989172e+00 4.669480137e+01 -7.780523109e-01 1.160177879e+01 1.58 4.950073321e+01 1.738910821e+01 2.937493541e+01 4.921977128e+01 4.893880936e+01 -7.326060738e+00 5.594510403e+00 4.189086497e+01 -1.391478323e+00 9.745688552e+00 1.60 4.454479551e+01 1.503267439e+01 2.601585404e+01 4.428957514e+01 4.403435477e+01 -7.274760463e+00 4.321021657e+00 3.750652493e+01 -1.922394747e+00 8.073459124e+00 1.62 4.001207373e+01 1.291863910e+01 2.296257200e+01 3.978034523e+01 3.954861673e+01 -7.206861674e+00 3.184342272e+00 3.350805647e+01 -2.379171947e+00 6.569570085e+00 1.64 3.586927429e+01 1.102461590e+01 2.018992290e+01 3.565897843e+01 3.544868257e+01 -7.124349816e+00 2.172346563e+00 2.986429291e+01 -2.769428718e+00 5.219698070e+00 1.66 3.208557535e+01 9.330165298e+00 1.767468487e+01 3.189482762e+01 3.170407988e+01 -7.029041903e+00 1.273884989e+00 2.654644177e+01 -3.100095205e+00 4.010630841e+00 1.68 2.863245305e+01 7.816632585e+00 1.539543803e+01 2.845952915e+01 2.828660525e+01 -6.922599048e+00 4.787108421e-01 2.352791321e+01 -3.377470818e+00 2.930187059e+00 1.70 2.548351909e+01 6.466998608e+00 1.333243185e+01 2.532684165e+01 2.517016422e+01 -6.806538134e+00 -2.225879359e-01 2.078416027e+01 -3.607277530e+00 1.967141451e+00 1.72 2.261436917e+01 5.265742510e+00 1.146746174e+01 2.247249554e+01 2.233062192e+01 -6.682242664e+00 -8.386521097e-01 1.829252986e+01 -3.794708898e+00 1.111155018e+00 1.74 2.000244154e+01 4.198715509e+00 9.783754243e+00 1.987405256e+01 1.974566358e+01 -6.550972856e+00 -1.377410012e+00 1.603212415e+01 -3.944475138e+00 3.527099788e-01 1.76 1.762688501e+01 3.253024890e+00 8.265860353e+00 1.751077471e+01 1.739466440e+01 -6.413875028e+00 -1.846132196e+00 1.398367143e+01 -4.060844555e+00 -3.169508340e-01 1.78 1.546843595e+01 2.416927405e+00 6.899556331e+00 1.536350207e+01 1.525856818e+01 -6.271990328e+00 -2.251482164e+00 1.212940599e+01 -4.147681601e+00 -9.058804175e-01 1.80 1.350930352e+01 1.679731371e+00 5.671751572e+00 1.341453887e+01 1.331977421e+01 -6.126262845e+00 -2.599563422e+00 1.045295641e+01 -4.208481834e+00 -1.421480136e+00 1.82 1.173306287e+01 1.031706776e+00 4.570403057e+00 1.164754732e+01 1.156203177e+01 -5.977547139e+00 -2.895963124e+00 8.939241627e+00 -4.246404005e+00 -1.870548601e+00 1.84 1.012455557e+01 4.640027704e-01 3.584435929e+00 1.004744876e+01 9.970341952e+00 -5.826615251e+00 -3.145792519e+00 7.574374445e+00 -4.264299504e+00 -2.259327135e+00 1.86 8.669796927e+00 -3.142803138e-02 2.703669794e+00 8.600331547e+00 8.530866167e+00 -5.674163196e+00 -3.353724425e+00 6.345571785e+00 -4.264739370e+00 -2.593542024e+00 1.88 7.355889773e+00 -4.618989862e-01 1.918750354e+00 7.293365391e+00 7.230841010e+00 -5.520817000e+00 -3.524027941e+00 5.241071400e+00 -4.250039059e+00 -2.878443790e+00 1.90 6.170944200e+00 -8.340530854e-01 1.221086010e+00 6.114721619e+00 6.058499039e+00 -5.367138304e+00 -3.660600574e+00 4.250054542e+00 -4.222281135e+00 -3.118843656e+00 1.92 5.104002946e+00 -1.153921309e+00 6.027890956e-01 5.053499016e+00 5.002995087e+00 -5.213629553e+00 -3.766997970e+00 3.362574189e+00 -4.183336072e+00 -3.319147402e+00 1.94 4.144972020e+00 -1.426976095e+00 5.662141902e-02 4.099654884e+00 4.054337747e+00 -5.060738820e+00 -3.846461412e+00 2.569488474e+00 -4.134881288e+00 -3.483386783e+00 1.96 3.284556234e+00 -1.658180317e+00 -4.240561840e-01 3.243940962e+00 3.203325690e+00 -4.908864273e+00 -3.901943242e+00 1.862398943e+00 -4.078418575e+00 -3.615248672e+00 1.98 2.514199308e+00 -1.852032136e+00 -8.453305648e-01 2.477843901e+00 2.441488495e+00 -4.758358312e+00 -3.936130359e+00 1.233593328e+00 -4.015290045e+00 -3.718102078e+00 2.00 1.826028248e+00 -2.012606055e+00 -1.212779508e+00 1.793529970e+00 1.761031693e+00 -4.609531405e+00 -3.951465925e+00 6.759925079e-01 -3.946692704e+00 -3.795023183e+00 2.02 1.212801711e+00 -2.143590493e+00 -1.531511751e+00 1.183793727e+00 1.154785743e+00 -4.462655644e+00 -3.950169402e+00 1.831013825e-01 -3.873691782e+00 -3.848818548e+00 2.04 6.678620799e-01 -2.248322156e+00 -1.806204008e+00 6.420103738e-01 6.161586677e-01 -4.317968026e+00 -3.934255056e+00 -2.510366278e-01 -3.797232899e+00 -3.882046582e+00 2.06 1.850910071e-01 -2.329817476e+00 -2.041135211e+00 1.620915591e-01 1.390921111e-01 -4.175673498e+00 -3.905549024e+00 -6.318816983e-01 -3.718153179e+00 -3.897037432e+00 2.08 -2.411318213e-01 -2.390801349e+00 -2.240218161e+00 -2.615556221e-01 -2.819794229e-01 -4.035947770e+00 -3.865705052e+00 -9.644365783e-01 -3.637191383e+00 -3.895911377e+00 2.10 -6.159669136e-01 -2.433733407e+00 -2.407028793e+00 -6.340666395e-01 -6.521663655e-01 -3.898939914e+00 -3.816219012e+00 -1.253282651e+00 -3.554997148e+00 -3.880595838e+00 2.12 -9.441504050e-01 -2.460832015e+00 -2.544833198e+00 -9.601547610e-01 -9.761591169e-01 -3.764774769e+00 -3.758442268e+00 -1.502613282e+00 -3.472139412e+00 -3.852841106e+00 2.14 -1.230026888e+00 -2.474096202e+00 -2.656612597e+00 -1.244143700e+00 -1.258260511e+00 -3.633555156e+00 -3.693593998e+00 -1.716264652e+00 -3.389114069e+00 -3.814234875e+00 2.16 -1.477579821e+00 -2.475325671e+00 -2.745086396e+00 -1.489997856e+00 -1.502415890e+00 -3.505363929e+00 -3.622772535e+00 -1.897744256e+00 -3.306350945e+00 -3.766215664e+00 2.18 -1.690459688e+00 -2.466139076e+00 -2.812733459e+00 -1.701350320e+00 -1.712240952e+00 -3.380265859e+00 -3.546965799e+00 -2.050257230e+00 -3.224220127e+00 -3.710085213e+00 2.20 -1.872010062e+00 -2.447990695e+00 -2.861811752e+00 -1.881528800e+00 -1.891047537e+00 -3.258309381e+00 -3.467060906e+00 -2.176730673e+00 -3.143037713e+00 -3.647019918e+00 2.22 -2.025291728e+00 -2.422185637e+00 -2.894376456e+00 -2.033579610e+00 -2.041867491e+00 -3.139528196e+00 -3.383852992e+00 -2.279836106e+00 -3.063071023e+00 -3.578081381e+00 2.24 -2.153105000e+00 -2.389893706e+00 -2.912296672e+00 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