# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb3Ti # 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 2025-12-17 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 5.199248718e+03 nan nan 0.98 4.493600086e+03 nan nan 1.00 3.884978618e+03 nan nan 1.02 3.359448104e+03 nan nan 1.04 2.905502238e+03 nan nan 1.06 2.513063020e+03 4.697626997e+03 nan 1.08 2.173844301e+03 4.107455021e+03 4.975070229e+03 1.10 1.880659017e+03 3.592382492e+03 4.365325433e+03 1.12 1.627213474e+03 3.142513611e+03 3.830856515e+03 1.14 1.408014251e+03 2.749270155e+03 3.362262519e+03 1.16 1.218494019e+03 2.405501373e+03 2.951102097e+03 1.18 1.054404996e+03 2.105283185e+03 2.590398269e+03 1.20 9.121952174e+02 1.842648419e+03 2.273971961e+03 1.22 7.890375959e+02 1.612662867e+03 1.996626177e+03 1.24 6.826384587e+02 1.411370152e+03 1.753072458e+03 1.26 5.907120754e+02 1.235316738e+03 1.539330183e+03 1.28 5.111443419e+02 1.081275098e+03 1.351548317e+03 1.30 4.421621261e+02 9.464081412e+02 1.186977167e+03 1.32 3.822633797e+02 8.283386246e+02 1.042491944e+03 1.34 3.302595943e+02 7.249096893e+02 9.155879656e+02 1.36 2.853235106e+02 6.342962058e+02 8.040624513e+02 1.38 2.463249557e+02 5.549113592e+02 7.059204882e+02 1.40 2.130046777e+02 4.853915417e+02 6.195781781e+02 1.42 1.837740905e+02 4.244392187e+02 5.437408644e+02 1.44 1.585501986e+02 3.709887004e+02 4.772483622e+02 1.46 1.367248146e+02 3.241309172e+02 4.188378013e+02 1.48 1.178170768e+02 2.832357266e+02 3.674809482e+02 1.50 1.014613008e+02 2.473580117e+02 3.223308622e+02 1.52 8.738614115e+01 2.160016679e+02 2.826079710e+02 1.54 7.529286907e+01 1.885617282e+02 2.476356995e+02 1.56 6.485804263e+01 1.645268885e+02 2.168675485e+02 1.58 5.580118294e+01 1.434777878e+02 1.897956490e+02 1.60 4.792884320e+01 1.250303306e+02 1.659632973e+02 1.62 4.107568258e+01 1.088852171e+02 1.449779196e+02 1.64 3.512048345e+01 9.479475099e+01 1.265171003e+02 1.66 2.997943520e+01 8.245387533e+01 1.102916491e+02 1.68 2.561267400e+01 7.158495004e+01 9.602179415e+01 1.70 2.193520706e+01 6.203641015e+01 8.346932529e+01 1.72 1.888620190e+01 5.398101474e+01 7.295628139e+01 1.74 1.614277384e+01 4.669515392e+01 6.342898566e+01 1.76 1.376009125e+01 4.034337209e+01 5.510803994e+01 1.78 1.167374167e+01 3.478348680e+01 4.782866655e+01 1.80 9.830774321e+00 2.993406598e+01 4.148957832e+01 1.82 8.224878761e+00 2.574922288e+01 3.596863854e+01 1.84 6.860643532e+00 2.216068867e+01 3.114518345e+01 1.86 5.665585509e+00 1.907975020e+01 2.693809450e+01 1.88 4.588281844e+00 1.642625515e+01 2.328540014e+01 1.90 3.628774590e+00 1.413913055e+01 2.010682268e+01 1.92 2.798424754e+00 1.215939044e+01 1.731963367e+01 1.94 2.088739052e+00 1.047829511e+01 1.487679698e+01 1.96 1.462817511e+00 9.026796658e+00 1.276452401e+01 1.98 8.709559446e-01 7.771390049e+00 1.094461070e+01 2.00 4.245065354e-01 6.682342254e+00 9.358427775e+00 2.02 9.523538715e-02 5.725405002e+00 7.960120746e+00 2.04 -1.823676076e-01 4.868655095e+00 6.715436104e+00 2.06 -6.971087357e-01 4.093410590e+00 5.613772049e+00 2.08 -1.153521749e+00 3.392483537e+00 4.650725499e+00 2.10 -1.696193296e+00 2.753690855e+00 3.827695407e+00 2.12 -2.194858152e+00 2.174699900e+00 3.136194198e+00 2.14 -2.645104116e+00 1.638163618e+00 2.547096236e+00 2.16 -3.053200377e+00 1.130227554e+00 2.026565175e+00 2.18 -3.428891876e+00 6.536354040e-01 1.556142147e+00 2.20 -3.791404403e+00 -1.752655472e-02 1.124416626e+00 2.22 -4.157077474e+00 -6.640157197e-01 7.147939584e-01 2.24 -4.508227462e+00 -1.187822794e+00 4.001276395e-01 2.26 -4.810568716e+00 -1.637466417e+00 1.338895021e-01 2.28 -5.059535268e+00 -2.022294504e+00 -3.479589908e-01 2.30 -5.276379678e+00 -2.366653568e+00 -8.011012009e-01 2.32 -5.475395683e+00 -2.687253380e+00 -1.270659853e+00 2.34 -5.663584480e+00 -2.996808073e+00 -1.765281009e+00 2.36 -5.839394605e+00 -3.308098132e+00 -2.160893865e+00 2.38 -6.002057610e+00 -3.622086248e+00 -2.521209130e+00 2.40 -6.157890034e+00 -3.925364822e+00 -2.863696345e+00 2.42 -6.293794756e+00 -4.214914125e+00 -3.195514656e+00 2.44 -6.405552503e+00 -4.490670256e+00 -3.516050155e+00 2.46 -6.502673021e+00 -4.741208947e+00 -3.822547157e+00 2.48 -6.587769591e+00 -4.967332466e+00 -4.114895305e+00 2.50 -6.651995258e+00 -5.182473616e+00 -4.393804235e+00 2.52 -6.694216203e+00 -5.388717418e+00 -4.656656373e+00 2.54 -6.719229712e+00 -5.584475018e+00 -4.899657146e+00 2.56 -6.743305797e+00 -5.777256039e+00 -5.121946959e+00 2.58 -6.777628998e+00 -5.947521832e+00 -5.318206107e+00 2.60 -6.811840987e+00 -6.094933468e+00 -5.486534695e+00 2.62 -6.848182741e+00 -6.234483600e+00 -5.631743755e+00 2.64 -6.880551356e+00 -6.372280912e+00 -5.761239616e+00 2.66 -6.893397926e+00 -6.490780691e+00 -5.878947708e+00 2.68 -6.887516589e+00 -6.585440844e+00 -5.986092390e+00 2.70 -6.875377056e+00 -6.659633952e+00 -6.084872251e+00 2.72 -6.861221426e+00 -6.717210309e+00 -6.176028437e+00 2.74 -6.844618915e+00 -6.761032278e+00 -6.239954152e+00 2.76 -6.822188759e+00 -6.795936048e+00 -6.321044363e+00 2.78 -6.792832401e+00 -6.824343793e+00 -6.407614266e+00 2.80 -6.755553912e+00 -6.847299625e+00 -6.471500990e+00 2.82 -6.707399339e+00 -6.865916471e+00 -6.496361399e+00 2.84 -6.646872969e+00 -6.879994815e+00 -6.535615435e+00 2.86 -6.577218749e+00 -6.886343162e+00 -6.572005859e+00 2.88 -6.504397792e+00 -6.884703976e+00 -6.605664853e+00 2.90 -6.432380503e+00 -6.878248875e+00 -6.643884060e+00 2.92 -6.363333786e+00 -6.861296165e+00 -6.672121418e+00 2.94 -6.294712831e+00 -6.833082096e+00 -6.698853822e+00 2.96 -6.222400549e+00 -6.800493453e+00 -6.721596393e+00 2.98 -6.141975455e+00 -6.756917314e+00 -6.732118062e+00 3.00 -6.051282489e+00 -6.702863056e+00 -6.730330415e+00 3.02 -5.949101221e+00 -6.647232346e+00 -6.720855214e+00 3.04 -5.834643029e+00 -6.599213731e+00 -6.708022076e+00 3.06 -5.712059964e+00 -6.559183418e+00 -6.693796314e+00 3.08 -5.589080861e+00 -6.520625295e+00 -6.676582770e+00 3.10 -5.474290783e+00 -6.476783566e+00 -6.655232544e+00 3.12 -5.368192256e+00 -6.421651860e+00 -6.626402318e+00 3.14 -5.261268669e+00 -6.357568680e+00 -6.589056788e+00 3.16 -5.143787758e+00 -6.289977898e+00 -6.544016776e+00 3.18 -5.007673220e+00 -6.221952667e+00 -6.492040213e+00 3.20 -4.846984059e+00 -6.155491964e+00 -6.433987394e+00 3.22 -4.656226628e+00 -6.093190423e+00 -6.371861627e+00 3.24 -4.455097635e+00 -6.038520082e+00 -6.308776442e+00 3.26 -4.260109452e+00 -5.987838017e+00 -6.247564656e+00 3.28 -4.080316969e+00 -5.936883928e+00 -6.187979955e+00 3.30 -3.926834333e+00 -5.882391652e+00 -6.130365306e+00 3.32 -3.805326366e+00 -5.821410524e+00 -6.077037813e+00 3.34 -3.712518795e+00 -5.750943962e+00 -6.030192506e+00 3.36 -3.642595039e+00 -5.667837639e+00 -5.991410667e+00 3.38 -3.589811317e+00 -5.569078685e+00 -5.955853136e+00 3.40 -3.549910086e+00 -5.453815866e+00 -5.915517307e+00 3.42 -3.515441433e+00 -5.326020723e+00 -5.865250829e+00 3.44 -3.481617344e+00 -5.189043156e+00 -5.801100634e+00 3.46 -3.445101112e+00 -5.048225368e+00 -5.724713923e+00 3.48 -3.402617686e+00 -4.907801394e+00 -5.639897169e+00 3.50 -3.352157286e+00 -4.766949761e+00 -5.548904752e+00 3.52 -3.292258860e+00 -4.635034717e+00 -5.450467352e+00 3.54 -3.225018588e+00 -4.522488088e+00 -5.342632759e+00 3.56 -3.156912547e+00 -4.432213734e+00 -5.236852205e+00 3.58 -3.090064879e+00 -4.361796855e+00 -5.141899948e+00 3.60 -3.019000065e+00 -4.304647361e+00 -5.054274698e+00 3.62 -2.955734086e+00 -4.253725067e+00 -4.970366199e+00 3.64 -2.906933568e+00 -4.201994547e+00 -4.892216459e+00 3.66 -2.870600368e+00 -4.147555637e+00 -4.821536903e+00 3.68 -2.845125573e+00 -4.092576459e+00 -4.758007622e+00 3.70 -2.828384851e+00 -4.038448391e+00 -4.699344756e+00 3.72 -2.817395837e+00 -3.986545543e+00 -4.642884594e+00 3.74 -2.808295601e+00 -3.937852211e+00 -4.585972351e+00 3.76 -2.797068695e+00 -3.891867017e+00 -4.526379593e+00 3.78 -2.781802199e+00 -3.847698793e+00 -4.461921036e+00 3.80 -2.761428222e+00 -3.804267394e+00 -4.390484799e+00 3.82 -2.735143724e+00 -3.756590990e+00 -4.310528725e+00 3.84 -2.702184312e+00 -3.702331140e+00 -4.220579197e+00 3.86 -2.661749822e+00 -3.640206712e+00 -4.119225632e+00 3.88 -2.613903810e+00 -3.568719201e+00 -4.004958764e+00 3.90 -2.560112577e+00 -3.486057873e+00 -3.875907790e+00 3.92 -2.502179086e+00 -3.390200964e+00 -3.729481191e+00 3.94 -2.441915194e+00 -3.280998414e+00 -3.564805673e+00 3.96 -2.380295176e+00 -3.162058513e+00 -3.387087763e+00 3.98 -2.318516996e+00 -3.034452537e+00 -3.203571856e+00 4.00 -2.256742026e+00 -2.898108668e+00 -3.012292679e+00 4.02 -2.195127839e+00 -2.760231525e+00 -2.809856711e+00 4.04 -2.134608280e+00 -2.633665517e+00 -2.620397091e+00 4.06 -2.077307033e+00 -2.526237253e+00 -2.465634523e+00 4.08 -2.024021388e+00 -2.435742179e+00 -2.343822855e+00 4.10 -1.973782288e+00 -2.358676743e+00 -2.252909619e+00 4.12 -1.927253360e+00 -2.293618948e+00 -2.193944014e+00 4.14 -1.885248196e+00 -2.239596693e+00 -2.162796048e+00 4.16 -1.848333663e+00 -2.194867939e+00 -2.151480039e+00 4.18 -1.816733821e+00 -2.156666231e+00 -2.150027378e+00 4.20 -1.790186170e+00 -2.122032057e+00 -2.148371204e+00 4.22 -1.767254277e+00 -2.091020732e+00 -2.142659034e+00 4.24 -1.746184910e+00 -2.064005680e+00 -2.133852547e+00 4.26 -1.725482818e+00 -2.040536176e+00 -2.123179068e+00 4.28 -1.703891999e+00 -2.020061450e+00 -2.111939115e+00 4.30 -1.680371051e+00 -2.001940612e+00 -2.101576942e+00 4.32 -1.654707069e+00 -1.985451551e+00 -2.093693415e+00 4.34 -1.627849554e+00 -1.969970583e+00 -2.089662172e+00 4.36 -1.601067324e+00 -1.955790044e+00 -2.090534086e+00 4.38 -1.575028002e+00 -1.943534011e+00 -2.097265196e+00 4.40 -1.549969093e+00 -1.933840688e+00 -2.108176586e+00 4.42 -1.525943740e+00 -1.927351895e+00 -2.120013244e+00 4.44 -1.502765490e+00 -1.924697613e+00 -2.132380769e+00 4.46 -1.480105638e+00 -1.926085307e+00 -2.144875094e+00 4.48 -1.457476400e+00 -1.930524919e+00 -2.156966256e+00 4.50 -1.434653167e+00 -1.936675111e+00 -2.167945870e+00 4.52 -1.411636362e+00 -1.943193396e+00 -2.177128997e+00 4.54 -1.388412718e+00 -1.948761240e+00 -2.183885104e+00 4.56 -1.364897962e+00 -1.952090455e+00 -2.187620732e+00 4.58 -1.340979362e+00 -1.952170661e+00 -2.187747702e+00 4.60 -1.316348026e+00 -1.948416109e+00 -2.183667677e+00 4.62 -1.289756746e+00 -1.940379131e+00 -2.174860858e+00 4.64 -1.259551161e+00 -1.927692229e+00 -2.160841322e+00 4.66 -1.225760298e+00 -1.909985032e+00 -2.141025585e+00 4.68 -1.189957727e+00 -1.886893185e+00 -2.114704766e+00 4.70 -1.155106828e+00 -1.858067991e+00 -2.081086580e+00 4.72 -1.125642232e+00 -1.823196127e+00 -2.039337293e+00 4.74 -1.107345525e+00 -1.782277099e+00 -1.988979116e+00 4.76 -1.102345850e+00 -1.736618512e+00 -1.931448375e+00 4.78 -1.106072816e+00 -1.687977663e+00 -1.869067450e+00 4.80 -1.112870683e+00 -1.638135748e+00 -1.804483471e+00 4.82 -1.117129827e+00 -1.588845477e+00 -1.740547484e+00 4.84 -1.113417300e+00 -1.541700656e+00 -1.680157927e+00 4.86 -1.097280397e+00 -1.497683750e+00 -1.626088633e+00 4.88 -1.068897297e+00 -1.457229081e+00 -1.579812095e+00 4.90 -1.028919016e+00 -1.419551253e+00 -1.540360337e+00 4.92 -9.778237155e-01 -1.382936968e+00 -1.506427139e+00 4.94 -9.163966695e-01 -1.346097504e+00 -1.476741265e+00 4.96 -8.460513947e-01 -1.308155975e+00 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