# 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 = Ta3Ti # 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 6.122254795e+02 nan nan 0.98 5.441714298e+02 nan nan 1.00 4.848867401e+02 nan nan 1.02 4.294217294e+02 nan nan 1.04 3.786749281e+02 nan nan 1.06 3.335207026e+02 5.580916006e+02 nan 1.08 2.939116867e+02 4.907502986e+02 5.948734020e+02 1.10 2.597817967e+02 4.321146215e+02 5.146412175e+02 1.12 2.314176809e+02 3.817249988e+02 4.450560279e+02 1.14 2.087894376e+02 3.385956716e+02 3.868213909e+02 1.16 1.899306625e+02 3.018965197e+02 3.397277482e+02 1.18 1.729976907e+02 2.717553994e+02 3.027839703e+02 1.20 1.580587047e+02 2.482760717e+02 2.754449356e+02 1.22 1.447131840e+02 2.284719207e+02 2.541857751e+02 1.24 1.323380152e+02 2.101311187e+02 2.359229188e+02 1.26 1.209221719e+02 1.937082887e+02 2.204180554e+02 1.28 1.100904415e+02 1.795295502e+02 2.067044506e+02 1.30 9.992357560e+01 1.665255698e+02 1.938065001e+02 1.32 9.038577053e+01 1.539813422e+02 1.808952359e+02 1.34 8.159742783e+01 1.419734970e+02 1.679218765e+02 1.36 7.348501418e+01 1.306657149e+02 1.556541671e+02 1.38 6.607447041e+01 1.199774359e+02 1.440356524e+02 1.40 5.931555672e+01 1.097316307e+02 1.327417361e+02 1.42 5.328167866e+01 9.977479881e+01 1.216817428e+02 1.44 4.791429655e+01 9.038677046e+01 1.113073582e+02 1.46 4.303981708e+01 8.172023240e+01 1.017626651e+02 1.48 3.849893120e+01 7.384466733e+01 9.285297495e+01 1.50 3.431972605e+01 6.676636443e+01 8.435646868e+01 1.52 3.059080017e+01 6.038330613e+01 7.631586977e+01 1.54 2.730188754e+01 5.449565455e+01 6.894402633e+01 1.56 2.433390144e+01 4.903415729e+01 6.225721556e+01 1.58 2.160887436e+01 4.398672081e+01 5.611042381e+01 1.60 1.910137814e+01 3.937832054e+01 5.038146528e+01 1.62 1.682625182e+01 3.523416917e+01 4.501151657e+01 1.64 1.485859180e+01 3.153704386e+01 4.000496753e+01 1.66 1.322518484e+01 2.822305100e+01 3.554076365e+01 1.68 1.186196236e+01 2.521233544e+01 3.162920945e+01 1.70 1.068587618e+01 2.245590360e+01 2.827587224e+01 1.72 9.607638317e+00 1.995567025e+01 2.536568930e+01 1.74 8.566293505e+00 1.775738172e+01 2.276482474e+01 1.76 7.558203446e+00 1.584675783e+01 2.037156008e+01 1.78 6.699442205e+00 1.416451423e+01 1.816686415e+01 1.80 5.955564291e+00 1.266259210e+01 1.618884725e+01 1.82 5.263046717e+00 1.131735532e+01 1.446483824e+01 1.84 4.573192973e+00 1.011111439e+01 1.299021341e+01 1.86 3.885966150e+00 9.037739725e+00 1.173608588e+01 1.88 3.220878301e+00 8.123354071e+00 1.064545922e+01 1.90 2.573657713e+00 7.335799655e+00 9.674011201e+00 1.92 2.016542325e+00 6.636442739e+00 8.797908733e+00 1.94 1.509236717e+00 5.998432356e+00 7.981085598e+00 1.96 1.057535109e+00 5.423491504e+00 7.204573237e+00 1.98 6.484411760e-01 4.932017702e+00 6.486510268e+00 2.00 2.625008790e-01 4.495691361e+00 5.852025368e+00 2.02 -1.050294336e-01 4.141539477e+00 5.285150304e+00 2.04 -4.448895649e-01 3.780325772e+00 4.765856702e+00 2.06 -7.767764938e-01 3.378747385e+00 4.267045419e+00 2.08 -1.046559976e+00 2.940316189e+00 3.788388770e+00 2.10 -1.284887614e+00 2.475908434e+00 3.334489293e+00 2.12 -1.502017424e+00 2.010373529e+00 2.901845922e+00 2.14 -1.727320190e+00 1.551235388e+00 2.490119760e+00 2.16 -2.209286644e+00 1.123648085e+00 2.129170868e+00 2.18 -2.774188262e+00 7.163565503e-01 1.833203653e+00 2.20 -3.352031684e+00 3.064993458e-01 1.575276716e+00 2.22 -3.866844836e+00 -1.032238736e-01 1.326648132e+00 2.24 -4.319761009e+00 -5.078391778e-01 1.069703196e+00 2.26 -4.713968955e+00 -9.124512312e-01 7.877522147e-01 2.28 -5.055757361e+00 -1.390680424e+00 4.499597042e-01 2.30 -5.340320508e+00 -1.865539681e+00 4.218950256e-02 2.32 -5.598865581e+00 -2.338158072e+00 -4.200661998e-01 2.34 -5.833333016e+00 -2.726793887e+00 -8.118089558e-01 2.36 -6.054951877e+00 -3.086532860e+00 -1.212539071e+00 2.38 -6.260733231e+00 -3.439794055e+00 -1.689616757e+00 2.40 -6.446240384e+00 -3.800475471e+00 -2.137296402e+00 2.42 -6.609081925e+00 -4.161843355e+00 -2.724701767e+00 2.44 -6.750394544e+00 -4.527302136e+00 -3.279800307e+00 2.46 -6.861949738e+00 -4.883773695e+00 -3.819690485e+00 2.48 -6.942688628e+00 -5.192982527e+00 -4.292075982e+00 2.50 -7.002473022e+00 -5.476121709e+00 -4.709211926e+00 2.52 -7.059738315e+00 -5.729547764e+00 -5.068387754e+00 2.54 -7.114099507e+00 -5.951059345e+00 -5.371690889e+00 2.56 -7.163769907e+00 -6.141341392e+00 -5.625906939e+00 2.58 -7.204477342e+00 -6.304442014e+00 -5.837791481e+00 2.60 -7.226178907e+00 -6.445570996e+00 -6.016301745e+00 2.62 -7.225500714e+00 -6.569381434e+00 -6.169342762e+00 2.64 -7.209232036e+00 -6.678758084e+00 -6.300212229e+00 2.66 -7.193768883e+00 -6.775864086e+00 -6.411736981e+00 2.68 -7.179227381e+00 -6.863099329e+00 -6.507194696e+00 2.70 -7.151389794e+00 -6.946794252e+00 -6.593098449e+00 2.72 -7.111445723e+00 -7.014617199e+00 -6.677365817e+00 2.74 -7.061266319e+00 -7.068220295e+00 -6.757539122e+00 2.76 -7.005761105e+00 -7.111088053e+00 -6.831034171e+00 2.78 -6.948641792e+00 -7.147706981e+00 -6.892804758e+00 2.80 -6.888213766e+00 -7.174667475e+00 -6.942410947e+00 2.82 -6.820646707e+00 -7.193007780e+00 -6.982385293e+00 2.84 -6.746356758e+00 -7.203461414e+00 -7.015361684e+00 2.86 -6.669967604e+00 -7.208446714e+00 -7.041248953e+00 2.88 -6.593641170e+00 -7.208175551e+00 -7.074716660e+00 2.90 -6.517821601e+00 -7.201485115e+00 -7.102385617e+00 2.92 -6.441925318e+00 -7.188440903e+00 -7.114056812e+00 2.94 -6.365442932e+00 -7.167147498e+00 -7.112172861e+00 2.96 -6.289824293e+00 -7.134273244e+00 -7.105905426e+00 2.98 -6.216760235e+00 -7.088354925e+00 -7.097645802e+00 3.00 -6.146697057e+00 -7.033209830e+00 -7.083404254e+00 3.02 -6.078571671e+00 -6.973974573e+00 -7.059738674e+00 3.04 -6.010100721e+00 -6.915448615e+00 -7.020095727e+00 3.06 -5.939964301e+00 -6.856607069e+00 -6.962096610e+00 3.08 -5.868752381e+00 -6.793715923e+00 -6.896399830e+00 3.10 -5.797457846e+00 -6.724581227e+00 -6.833517394e+00 3.12 -5.723584094e+00 -6.647168296e+00 -6.773911308e+00 3.14 -5.642909880e+00 -6.563989393e+00 -6.715585443e+00 3.16 -5.553693495e+00 -6.479282854e+00 -6.659354562e+00 3.18 -5.456905992e+00 -6.393241173e+00 -6.605130374e+00 3.20 -5.353861563e+00 -6.306763838e+00 -6.551967985e+00 3.22 -5.244968092e+00 -6.224452857e+00 -6.498932670e+00 3.24 -5.128235941e+00 -6.153311964e+00 -6.445018655e+00 3.26 -4.999632433e+00 -6.085692056e+00 -6.389037742e+00 3.28 -4.860337929e+00 -6.014553559e+00 -6.329468503e+00 3.30 -4.716389995e+00 -5.940941628e+00 -6.267641373e+00 3.32 -4.581894672e+00 -5.867136852e+00 -6.207427933e+00 3.34 -4.447448445e+00 -5.794491834e+00 -6.152843637e+00 3.36 -4.315341590e+00 -5.723922928e+00 -6.107389759e+00 3.38 -4.190247231e+00 -5.656226765e+00 -6.069191351e+00 3.40 -4.067046339e+00 -5.591883817e+00 -6.033219123e+00 3.42 -3.941957501e+00 -5.529729374e+00 -5.994135941e+00 3.44 -3.818735954e+00 -5.467410444e+00 -5.947045913e+00 3.46 -3.700794893e+00 -5.402313939e+00 -5.890594563e+00 3.48 -3.591999566e+00 -5.331662432e+00 -5.824461343e+00 3.50 -3.494484916e+00 -5.253469555e+00 -5.748063006e+00 3.52 -3.407076319e+00 -5.166629821e+00 -5.669245846e+00 3.54 -3.328579290e+00 -5.072055612e+00 -5.581488682e+00 3.56 -3.258508308e+00 -4.973058697e+00 -5.487297108e+00 3.58 -3.197242077e+00 -4.872669087e+00 -5.404092337e+00 3.60 -3.142353060e+00 -4.773603414e+00 -5.330838824e+00 3.62 -3.089623026e+00 -4.679353676e+00 -5.261772009e+00 3.64 -3.036182823e+00 -4.592791769e+00 -5.200187000e+00 3.66 -2.981785530e+00 -4.514893757e+00 -5.147167248e+00 3.68 -2.928373865e+00 -4.445501753e+00 -5.100980960e+00 3.70 -2.878107976e+00 -4.382930305e+00 -5.058465463e+00 3.72 -2.833002421e+00 -4.324836441e+00 -5.016383857e+00 3.74 -2.795280177e+00 -4.269304865e+00 -4.972007241e+00 3.76 -2.767610251e+00 -4.217417889e+00 -4.924233137e+00 3.78 -2.749674143e+00 -4.173249081e+00 -4.872326400e+00 3.80 -2.738719409e+00 -4.142241930e+00 -4.815839108e+00 3.82 -2.731479358e+00 -4.114292109e+00 -4.755663287e+00 3.84 -2.725320094e+00 -4.082565848e+00 -4.692752998e+00 3.86 -2.718092028e+00 -4.045705809e+00 -4.627312805e+00 3.88 -2.708326118e+00 -4.002706309e+00 -4.559193799e+00 3.90 -2.695163313e+00 -3.953291436e+00 -4.487866893e+00 3.92 -2.677695379e+00 -3.896941879e+00 -4.412128633e+00 3.94 -2.655109745e+00 -3.832711876e+00 -4.329579221e+00 3.96 -2.626965731e+00 -3.759533487e+00 -4.237856480e+00 3.98 -2.592680004e+00 -3.676054357e+00 -4.135644344e+00 4.00 -2.550914471e+00 -3.581950196e+00 -4.023468134e+00 4.02 -2.500574695e+00 -3.479121435e+00 -3.903728013e+00 4.04 -2.440505302e+00 -3.371062939e+00 -3.780097914e+00 4.06 -2.369036162e+00 -3.259377652e+00 -3.656458530e+00 4.08 -2.285139843e+00 -3.141208240e+00 -3.527048710e+00 4.10 -2.190576074e+00 -3.013697264e+00 -3.381033992e+00 4.12 -2.090810409e+00 -2.881356257e+00 -3.210534193e+00 4.14 -1.992328637e+00 -2.754160638e+00 -3.025640828e+00 4.16 -1.901487676e+00 -2.640336062e+00 -2.845961183e+00 4.18 -1.822142314e+00 -2.540144701e+00 -2.687858639e+00 4.20 -1.754618219e+00 -2.451080451e+00 -2.558792163e+00 4.22 -1.696499035e+00 -2.369889937e+00 -2.452356118e+00 4.24 -1.644878405e+00 -2.294812363e+00 -2.361180997e+00 4.26 -1.597104553e+00 -2.226075642e+00 -2.279238875e+00 4.28 -1.550584547e+00 -2.163356316e+00 -2.203012315e+00 4.30 -1.502647251e+00 -2.105782596e+00 -2.132829150e+00 4.32 -1.451720215e+00 -2.052181292e+00 -2.071181451e+00 4.34 -1.398385303e+00 -2.001308168e+00 -2.021286634e+00 4.36 -1.343452597e+00 -1.953244823e+00 -1.985210529e+00 4.38 -1.287883394e+00 -1.908639063e+00 -1.964185391e+00 4.40 -1.232728654e+00 -1.868124444e+00 -1.954228987e+00 4.42 -1.178951162e+00 -1.832080985e+00 -1.947129847e+00 4.44 -1.126898136e+00 -1.800706283e+00 -1.940847673e+00 4.46 -1.076608611e+00 -1.773590366e+00 -1.933536115e+00 4.48 -1.028249097e+00 -1.749119060e+00 -1.924252387e+00 4.50 -9.827636197e-01 -1.726236977e+00 -1.913332557e+00 4.52 -9.412954721e-01 -1.704005651e+00 -1.901238180e+00 4.54 -9.044775332e-01 -1.681509824e+00 -1.888469760e+00 4.56 -8.723663363e-01 -1.657844511e+00 -1.875533660e+00 4.58 -8.451537340e-01 -1.632701320e+00 -1.862926665e+00 4.60 -8.230495896e-01 -1.606734094e+00 -1.851105873e+00 4.62 -8.049386420e-01 -1.580399949e+00 -1.840113909e+00 4.64 -7.892021449e-01 -1.553969493e+00 -1.829708426e+00 4.66 -7.750067276e-01 -1.527737983e+00 -1.819641410e+00 4.68 -7.617078240e-01 -1.502039217e+00 -1.809658340e+00 4.70 -7.485457456e-01 -1.477083871e+00 -1.799504062e+00 4.72 -7.347786856e-01 -1.452959833e+00 -1.788921489e+00 4.74 -7.205601639e-01 -1.429760432e+00 -1.777662742e+00 4.76 -7.059187550e-01 -1.407617800e+00 -1.765555003e+00 4.78 -6.902091315e-01 -1.386666530e+00 -1.752440807e+00 4.80 -6.729190832e-01 -1.366991087e+00 -1.738162616e+00 4.82 -6.537340931e-01 -1.348249370e+00 -1.722557085e+00 4.84 -6.323653112e-01 -1.329825725e+00 -1.705459348e+00 4.86 -6.084110632e-01 -1.311074449e+00 -1.686693073e+00 4.88 -5.819698869e-01 -1.291203112e+00 -1.665915462e+00 4.90 -5.531851364e-01 -1.269113735e+00 -1.642424893e+00 4.92 -5.221517399e-01 -1.243773192e+00 -1.615438042e+00 4.94 -4.889354285e-01 -1.214864519e+00 -1.584114740e+00 4.96 -4.534906939e-01 -1.182313177e+00 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