# 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 = NbTi3 # 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 4.004727647e+03 nan nan 0.98 3.452354994e+03 nan nan 1.00 2.977069417e+03 nan nan 1.02 2.567568400e+03 nan nan 1.04 2.214788681e+03 nan nan 1.06 1.910741647e+03 3.621601241e+03 nan 1.08 1.648553647e+03 3.160331518e+03 3.830673978e+03 1.10 1.422672387e+03 2.758630861e+03 3.354833476e+03 1.12 1.227910513e+03 2.408710467e+03 2.938555064e+03 1.14 1.059978707e+03 2.103395836e+03 2.574375314e+03 1.16 9.150963055e+02 1.837094646e+03 2.255363842e+03 1.18 7.901165696e+02 1.605217115e+03 1.976147009e+03 1.20 6.821269279e+02 1.402791463e+03 1.731616740e+03 1.22 5.889569039e+02 1.225921127e+03 1.517637622e+03 1.24 5.086383234e+02 1.071418661e+03 1.330432785e+03 1.26 4.394257169e+02 9.364939991e+02 1.166658304e+03 1.28 3.795972327e+02 8.186300635e+02 1.023113586e+03 1.30 3.277706964e+02 7.157016373e+02 8.974091848e+02 1.32 2.830036035e+02 6.257385802e+02 7.871773327e+02 1.34 2.444006917e+02 5.470711185e+02 6.905297842e+02 1.36 2.111024616e+02 4.782547853e+02 6.057517543e+02 1.38 1.823451653e+02 4.181416129e+02 5.312869025e+02 1.40 1.575512009e+02 3.655974330e+02 4.659531751e+02 1.42 1.361746127e+02 3.196198087e+02 4.087304353e+02 1.44 1.177057304e+02 2.793560430e+02 3.586535882e+02 1.46 1.016927005e+02 2.441204385e+02 3.147435913e+02 1.48 8.780969373e+01 2.133828363e+02 2.762070131e+02 1.50 7.576276888e+01 1.865905222e+02 2.423988664e+02 1.52 6.531373063e+01 1.632157271e+02 2.126733483e+02 1.54 5.628694727e+01 1.427978576e+02 1.865404464e+02 1.56 4.849331002e+01 1.249116405e+02 1.635930257e+02 1.58 4.170627462e+01 1.092409701e+02 1.434743456e+02 1.60 3.581530902e+01 9.555108737e+01 1.257919168e+02 1.62 3.072756552e+01 8.361762983e+01 1.102438715e+02 1.64 2.630722426e+01 7.319676423e+01 9.658366674e+01 1.66 2.253912693e+01 6.405973334e+01 8.455272445e+01 1.68 1.931814407e+01 5.601480640e+01 7.398540397e+01 1.70 1.653460587e+01 4.892392879e+01 6.478227931e+01 1.72 1.412434874e+01 4.268432308e+01 5.673592012e+01 1.74 1.203861235e+01 3.717264464e+01 4.966781830e+01 1.76 1.023300316e+01 3.232619504e+01 4.346288051e+01 1.78 8.663159383e+00 2.806945192e+01 3.800406200e+01 1.80 7.307004489e+00 2.432661767e+01 3.319701294e+01 1.82 6.138226510e+00 2.102148505e+01 2.898347782e+01 1.84 5.105973402e+00 1.812370811e+01 2.530673535e+01 1.86 4.190481477e+00 1.560653182e+01 2.209870693e+01 1.88 3.370629222e+00 1.342604814e+01 1.927755949e+01 1.90 2.646089174e+00 1.153598054e+01 1.678490205e+01 1.92 1.856843575e+00 9.900752753e+00 1.458076184e+01 1.94 9.992875545e-01 8.535702778e+00 1.264184835e+01 1.96 2.702286555e-01 7.374425263e+00 1.093387858e+01 1.98 -4.007814168e-01 6.370655990e+00 9.412318862e+00 2.00 -8.859927921e-01 5.482550692e+00 8.051178630e+00 2.02 -1.239554852e+00 4.680775965e+00 6.814802019e+00 2.04 -1.481663786e+00 4.000654405e+00 5.739913188e+00 2.06 -1.666414391e+00 3.390065395e+00 4.779379458e+00 2.08 -1.843041965e+00 2.820286574e+00 3.816262795e+00 2.10 -2.039588695e+00 2.246147096e+00 3.009585240e+00 2.12 -2.261452859e+00 1.642791530e+00 2.353000320e+00 2.14 -2.490772045e+00 8.762343370e-01 1.818146561e+00 2.16 -2.713772852e+00 1.644187411e-01 1.375131426e+00 2.18 -2.926874704e+00 -4.653851400e-01 1.007754665e+00 2.20 -3.145939573e+00 -1.023596771e+00 5.951788222e-01 2.22 -3.379286885e+00 -1.526073751e+00 1.039725524e-01 2.24 -3.608241874e+00 -1.901120437e+00 -2.620264347e-01 2.26 -3.812857370e+00 -2.197072037e+00 -6.174232285e-01 2.28 -3.991574943e+00 -2.435420471e+00 -9.800414729e-01 2.30 -4.147495529e+00 -2.635661377e+00 -1.329014170e+00 2.32 -4.292823601e+00 -2.812092297e+00 -1.643231312e+00 2.34 -4.433566305e+00 -2.972272924e+00 -1.925962806e+00 2.36 -4.569128204e+00 -3.128217980e+00 -2.177376029e+00 2.38 -4.698332932e+00 -3.291045413e+00 -2.412999666e+00 2.40 -4.821058932e+00 -3.465392402e+00 -2.643620013e+00 2.42 -4.938973750e+00 -3.650978513e+00 -2.876411122e+00 2.44 -5.046967024e+00 -3.837879559e+00 -3.111782225e+00 2.46 -5.130002182e+00 -4.018014497e+00 -3.341566957e+00 2.48 -5.193266060e+00 -4.186780033e+00 -3.557790417e+00 2.50 -5.244944995e+00 -4.342657205e+00 -3.755901693e+00 2.52 -5.286025096e+00 -4.487435248e+00 -3.934874231e+00 2.54 -5.312414805e+00 -4.621065057e+00 -4.095329357e+00 2.56 -5.331273030e+00 -4.742553695e+00 -4.236005022e+00 2.58 -5.352134604e+00 -4.850987544e+00 -4.353418997e+00 2.60 -5.377285194e+00 -4.950955925e+00 -4.448671909e+00 2.62 -5.398200005e+00 -5.048031526e+00 -4.531346158e+00 2.64 -5.408023086e+00 -5.144101133e+00 -4.614882872e+00 2.66 -5.403348858e+00 -5.233407165e+00 -4.708344145e+00 2.68 -5.380843766e+00 -5.299207063e+00 -4.812582032e+00 2.70 -5.354912759e+00 -5.343390358e+00 -4.919055754e+00 2.72 -5.328396423e+00 -5.373338085e+00 -5.006045724e+00 2.74 -5.296632041e+00 -5.395304757e+00 -5.046089157e+00 2.76 -5.257694594e+00 -5.414093585e+00 -5.077657741e+00 2.78 -5.222968690e+00 -5.430048608e+00 -5.121253531e+00 2.80 -5.190248728e+00 -5.441818120e+00 -5.163464296e+00 2.82 -5.143609653e+00 -5.450789510e+00 -5.209308706e+00 2.84 -5.084774741e+00 -5.458293795e+00 -5.251500252e+00 2.86 -5.012855332e+00 -5.457903962e+00 -5.288065159e+00 2.88 -4.917193770e+00 -5.445418625e+00 -5.309928031e+00 2.90 -4.813005823e+00 -5.425681996e+00 -5.330484382e+00 2.92 -4.718079650e+00 -5.404156718e+00 -5.353218061e+00 2.94 -4.632198249e+00 -5.380854825e+00 -5.373769530e+00 2.96 -4.551301530e+00 -5.353965890e+00 -5.386731715e+00 2.98 -4.472526795e+00 -5.326803134e+00 -5.388373526e+00 3.00 -4.392974876e+00 -5.293161622e+00 -5.379084732e+00 3.02 -4.309556188e+00 -5.252844186e+00 -5.361687008e+00 3.04 -4.221278522e+00 -5.207454738e+00 -5.339498801e+00 3.06 -4.132548312e+00 -5.154794466e+00 -5.315913364e+00 3.08 -4.046155685e+00 -5.099118402e+00 -5.293100038e+00 3.10 -3.966848320e+00 -5.047119219e+00 -5.272333197e+00 3.12 -3.893117352e+00 -4.995494745e+00 -5.250937026e+00 3.14 -3.818152709e+00 -4.935550104e+00 -5.225585666e+00 3.16 -3.744489145e+00 -4.866255829e+00 -5.194838243e+00 3.18 -3.672121098e+00 -4.786872719e+00 -5.158063948e+00 3.20 -3.597563063e+00 -4.703375558e+00 -5.115280880e+00 3.22 -3.518099672e+00 -4.625418925e+00 -5.067472449e+00 3.24 -3.430886749e+00 -4.562808441e+00 -5.016331384e+00 3.26 -3.334763309e+00 -4.509615969e+00 -4.961893384e+00 3.28 -3.239075098e+00 -4.458824995e+00 -4.902814528e+00 3.30 -3.154807976e+00 -4.408699063e+00 -4.836610118e+00 3.32 -3.089362645e+00 -4.356042924e+00 -4.763239981e+00 3.34 -3.034522068e+00 -4.298335376e+00 -4.684702669e+00 3.36 -2.985161499e+00 -4.234743299e+00 -4.603765465e+00 3.38 -2.938382986e+00 -4.159713226e+00 -4.521682106e+00 3.40 -2.892808445e+00 -4.064371066e+00 -4.439150406e+00 3.42 -2.845387951e+00 -3.957784283e+00 -4.354502030e+00 3.44 -2.794788037e+00 -3.844604927e+00 -4.264581276e+00 3.46 -2.738992705e+00 -3.723804757e+00 -4.170551478e+00 3.48 -2.676287679e+00 -3.599974009e+00 -4.074742599e+00 3.50 -2.607497376e+00 -3.478789448e+00 -3.969270023e+00 3.52 -2.534525692e+00 -3.364759310e+00 -3.845127748e+00 3.54 -2.459655300e+00 -3.262473375e+00 -3.711355534e+00 3.56 -2.380951463e+00 -3.173528765e+00 -3.581857820e+00 3.58 -2.297216184e+00 -3.094172000e+00 -3.469011354e+00 3.60 -2.213309120e+00 -3.021146663e+00 -3.370190982e+00 3.62 -2.137904932e+00 -2.953715486e+00 -3.277363051e+00 3.64 -2.077270505e+00 -2.890443000e+00 -3.190957639e+00 3.66 -2.031090442e+00 -2.830564026e+00 -3.113238986e+00 3.68 -1.996140507e+00 -2.774035493e+00 -3.045873983e+00 3.70 -1.969579990e+00 -2.720477455e+00 -2.988406749e+00 3.72 -1.948779828e+00 -2.669528049e+00 -2.939616871e+00 3.74 -1.931067494e+00 -2.622522396e+00 -2.898179430e+00 3.76 -1.913989448e+00 -2.582927491e+00 -2.863173850e+00 3.78 -1.897323873e+00 -2.553698744e+00 -2.833841306e+00 3.80 -1.881760665e+00 -2.537059831e+00 -2.809246773e+00 3.82 -1.867790357e+00 -2.526059390e+00 -2.787357554e+00 3.84 -1.855851184e+00 -2.515730340e+00 -2.765761652e+00 3.86 -1.846408692e+00 -2.503863298e+00 -2.742004808e+00 3.88 -1.839544357e+00 -2.488355984e+00 -2.713626214e+00 3.90 -1.834096792e+00 -2.467190302e+00 -2.678113880e+00 3.92 -1.828541721e+00 -2.438067835e+00 -2.632657934e+00 3.94 -1.821553114e+00 -2.399290028e+00 -2.575107821e+00 3.96 -1.812361588e+00 -2.351126551e+00 -2.505704308e+00 3.98 -1.800293151e+00 -2.294343450e+00 -2.425318969e+00 4.00 -1.785085526e+00 -2.232304952e+00 -2.338567968e+00 4.02 -1.766983771e+00 -2.169765392e+00 -2.252062770e+00 4.04 -1.746393752e+00 -2.111438777e+00 -2.173014941e+00 4.06 -1.723769610e+00 -2.060594808e+00 -2.107020994e+00 4.08 -1.699235179e+00 -2.017476387e+00 -2.055170928e+00 4.10 -1.672598367e+00 -1.980798070e+00 -2.016095733e+00 4.12 -1.643781320e+00 -1.949358080e+00 -1.988221631e+00 4.14 -1.612832308e+00 -1.921835162e+00 -1.968806819e+00 4.16 -1.579872422e+00 -1.896760964e+00 -1.954744286e+00 4.18 -1.545159453e+00 -1.872516384e+00 -1.942829183e+00 4.20 -1.509100798e+00 -1.847510897e+00 -1.930074872e+00 4.22 -1.471707490e+00 -1.821461959e+00 -1.915570338e+00 4.24 -1.432826181e+00 -1.794763451e+00 -1.899580334e+00 4.26 -1.392679812e+00 -1.767853700e+00 -1.882380756e+00 4.28 -1.351687310e+00 -1.741219679e+00 -1.864219392e+00 4.30 -1.310351304e+00 -1.715428600e+00 -1.845419796e+00 4.32 -1.269470662e+00 -1.691152477e+00 -1.827435645e+00 4.34 -1.230201637e+00 -1.668970901e+00 -1.812249092e+00 4.36 -1.193480366e+00 -1.648909781e+00 -1.801022485e+00 4.38 -1.159321943e+00 -1.630931829e+00 -1.794782818e+00 4.40 -1.127283846e+00 -1.615016903e+00 -1.792334973e+00 4.42 -1.096831524e+00 -1.601122671e+00 -1.790488972e+00 4.44 -1.066989082e+00 -1.589180709e+00 -1.788563836e+00 4.46 -1.036055660e+00 -1.578940023e+00 -1.785906001e+00 4.48 -1.002470243e+00 -1.569769022e+00 -1.782019553e+00 4.50 -9.656191986e-01 -1.561058874e+00 -1.776639480e+00 4.52 -9.256937692e-01 -1.552181515e+00 -1.769507478e+00 4.54 -8.833995620e-01 -1.542491727e+00 -1.760331321e+00 4.56 -8.399037927e-01 -1.531330809e+00 -1.748786236e+00 4.58 -7.969996672e-01 -1.518081091e+00 -1.734497976e+00 4.60 -7.567246851e-01 -1.502232870e+00 -1.717054994e+00 4.62 -7.198649854e-01 -1.483633938e+00 -1.696363682e+00 4.64 -6.864035099e-01 -1.462375308e+00 -1.672577376e+00 4.66 -6.564159361e-01 -1.438548440e+00 -1.645885072e+00 4.68 -6.298342968e-01 -1.412240670e+00 -1.616614948e+00 4.70 -6.063748864e-01 -1.383639496e+00 -1.585185921e+00 4.72 -5.857170017e-01 -1.353020370e+00 -1.552050175e+00 4.74 -5.679784953e-01 -1.320605193e+00 -1.517605691e+00 4.76 -5.530274699e-01 -1.286471141e+00 -1.481946770e+00 4.78 -5.403898748e-01 -1.250693181e+00 -1.445082530e+00 4.80 -5.295530591e-01 -1.213410272e+00 -1.407051390e+00 4.82 -5.199664291e-01 -1.174800630e+00 -1.367953591e+00 4.84 -5.111062080e-01 -1.135000968e+00 -1.327974080e+00 4.86 -5.025901282e-01 -1.094056952e+00 -1.287400541e+00 4.88 -4.928785645e-01 -1.051828907e+00 -1.246558022e+00 4.90 -4.804637676e-01 -1.007803245e+00 -1.205660860e+00 4.92 -4.638566180e-01 -9.614319955e-01 -1.164867745e+00 4.94 -4.413598880e-01 -9.126478347e-01 -1.124269738e+00 4.96 -4.113785753e-01 -8.616975359e-01 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