# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Nb # implementation = 1987--Ackland-G-J--Nb--LAMMPS--ipr1 # composition = Nb # 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 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 3.641751794e+03 nan 0.62 nan nan nan nan nan nan nan nan 3.268297533e+03 nan 0.64 nan nan nan nan nan nan nan nan 2.940563011e+03 nan 0.66 nan nan nan nan nan 2.273927040e+03 nan nan 2.652219468e+03 nan 0.68 nan nan nan nan nan 2.053958332e+03 nan nan 2.397436811e+03 nan 0.70 nan nan nan nan nan 1.859095864e+03 nan nan 2.171601085e+03 nan 0.72 nan nan nan nan nan 1.685376366e+03 nan nan 1.970659574e+03 nan 0.74 nan nan nan 3.662728697e+03 3.662878143e+03 1.530435969e+03 nan nan 1.791186128e+03 nan 0.76 nan 2.272546875e+03 nan 3.353640336e+03 3.353669198e+03 1.392105786e+03 2.311726882e+03 nan 1.630653482e+03 2.277852023e+03 0.78 nan 2.077901111e+03 nan 3.075949270e+03 3.075845459e+03 1.268227363e+03 2.114343578e+03 nan 1.486762586e+03 2.083379988e+03 0.80 nan 1.902654891e+03 nan 2.825836357e+03 2.825708440e+03 1.156978376e+03 1.936733291e+03 nan 1.357441274e+03 1.908230726e+03 0.82 nan 1.744512499e+03 nan 2.599823458e+03 2.599746764e+03 1.056885173e+03 1.776485992e+03 nan 1.240931809e+03 1.750061347e+03 0.84 2.395075851e+03 1.601463832e+03 2.173432083e+03 2.395251911e+03 2.395290907e+03 9.667107935e+02 1.631479358e+03 2.239147975e+03 1.135674366e+03 1.606847335e+03 0.86 2.209211469e+03 1.471746537e+03 2.003028144e+03 2.209645386e+03 2.209771506e+03 8.851983698e+02 1.499769808e+03 2.064385176e+03 1.040394533e+03 1.477258680e+03 0.88 2.040418875e+03 1.353965583e+03 1.848199676e+03 2.040716229e+03 2.040865443e+03 8.115534854e+02 1.380116529e+03 1.905639705e+03 9.539763246e+02 1.359839097e+03 0.90 1.886768703e+03 1.246936880e+03 1.707272967e+03 1.886802205e+03 1.886909445e+03 7.449139921e+02 1.271468775e+03 1.761032002e+03 8.754816673e+02 1.253054399e+03 0.92 1.746551713e+03 1.149322410e+03 1.579024392e+03 1.746377318e+03 1.746378133e+03 6.844653695e+02 1.172564701e+03 1.629110023e+03 8.040687223e+02 1.155558546e+03 0.94 1.618335235e+03 1.060239225e+03 1.461859956e+03 1.618065852e+03 1.617998102e+03 6.294010918e+02 1.082313302e+03 1.508456578e+03 7.389936255e+02 1.066485699e+03 0.96 1.500772099e+03 9.787460291e+02 1.354308314e+03 1.500583995e+03 1.500503847e+03 5.789323038e+02 9.997579972e+02 1.397846528e+03 6.796471991e+02 9.850140454e+02 0.98 1.392745727e+03 9.042391306e+02 1.255581294e+03 1.392749559e+03 1.392682527e+03 5.326289125e+02 9.241687445e+02 1.296329296e+03 6.255548508e+02 9.103450601e+02 1.00 1.293533585e+03 8.360016466e+02 1.164926968e+03 1.293624588e+03 1.293583277e+03 4.902788767e+02 8.548055671e+02 1.203118847e+03 5.762417754e+02 8.417912515e+02 1.02 1.202270580e+03 7.732810504e+02 1.081467977e+03 1.202415974e+03 1.202431513e+03 4.514827021e+02 7.909992961e+02 1.117449464e+03 5.311798086e+02 7.788180874e+02 1.04 1.118302157e+03 7.156608215e+02 1.004709077e+03 1.118460561e+03 1.118525747e+03 4.159346621e+02 7.322115683e+02 1.038673283e+03 4.899274691e+02 7.210257183e+02 1.06 1.040996898e+03 6.626021793e+02 9.341502269e+02 1.041087835e+03 1.041150237e+03 3.834070781e+02 6.780618196e+02 9.661343041e+02 4.520280757e+02 6.680597116e+02 1.08 9.696138053e+02 6.136191854e+02 8.691510681e+02 9.696153776e+02 9.696463213e+02 3.536425788e+02 6.282717630e+02 8.991479499e+02 4.172041976e+02 6.194689059e+02 1.10 9.035389938e+02 5.685170317e+02 8.090631587e+02 9.034939956e+02 9.035034890e+02 3.263711727e+02 5.824988142e+02 8.372013492e+02 3.851673620e+02 5.747637577e+02 1.12 8.424778224e+02 5.269537638e+02 7.533972692e+02 8.423394324e+02 8.423235132e+02 3.013176991e+02 5.403413895e+02 7.798798803e+02 3.556319366e+02 5.334646200e+02 1.14 7.859070557e+02 4.885291788e+02 7.018276991e+02 7.857103837e+02 7.856832492e+02 2.782763318e+02 5.014239764e+02 7.267248676e+02 3.283680878e+02 4.952374910e+02 1.16 7.333053862e+02 4.529249793e+02 6.539589571e+02 7.331759073e+02 7.331601079e+02 2.570320954e+02 4.654966466e+02 6.773651110e+02 3.031957146e+02 4.599172670e+02 1.18 6.842993344e+02 4.200293756e+02 6.095469267e+02 6.843656502e+02 6.843851423e+02 2.375250029e+02 4.322757632e+02 6.315209340e+02 2.798917604e+02 4.272043278e+02 1.20 6.388299500e+02 3.896329972e+02 5.682410424e+02 6.390156296e+02 6.390682421e+02 2.195983377e+02 4.015207084e+02 5.889968869e+02 2.583041407e+02 3.969361728e+02 1.22 5.965749507e+02 3.614684112e+02 5.296860963e+02 5.968140687e+02 5.968936069e+02 2.030812538e+02 3.729821261e+02 5.495035911e+02 2.382967424e+02 3.688809621e+02 1.24 5.573160521e+02 3.353107131e+02 4.937217268e+02 5.575163784e+02 5.575953139e+02 1.878244524e+02 3.465233994e+02 5.127805372e+02 2.197340967e+02 3.428355134e+02 1.26 5.207907658e+02 3.109811726e+02 4.603430375e+02 5.209266658e+02 5.210003184e+02 1.737913590e+02 3.220185039e+02 4.786177123e+02 2.025533174e+02 3.185920355e+02 1.28 4.867468817e+02 2.884053760e+02 4.293661278e+02 4.868295963e+02 4.869031057e+02 1.608759534e+02 2.992714069e+02 4.468339980e+02 1.866539962e+02 2.959688366e+02 1.30 4.550297550e+02 2.674810374e+02 4.005965646e+02 4.550431965e+02 4.551127149e+02 1.489756848e+02 2.781008537e+02 4.172422658e+02 1.719132674e+02 2.748778247e+02 1.32 4.254340765e+02 2.480692180e+02 3.738942016e+02 4.253731326e+02 4.254250449e+02 1.380378448e+02 2.583338718e+02 3.896411291e+02 1.582607444e+02 2.551779503e+02 1.34 3.977884817e+02 2.300291939e+02 3.490937730e+02 3.976803203e+02 3.976889171e+02 1.279793467e+02 2.398599539e+02 3.638834235e+02 1.456493682e+02 2.367600605e+02 1.36 3.719991652e+02 2.132167522e+02 3.260152495e+02 3.718335577e+02 3.717704125e+02 1.187044937e+02 2.225569611e+02 3.398577647e+02 1.340215004e+02 2.195907586e+02 1.38 3.479013656e+02 1.975258504e+02 3.044806713e+02 3.477175901e+02 3.475999643e+02 1.101181747e+02 2.063515865e+02 3.174258141e+02 1.233069179e+02 2.035641154e+02 1.40 3.253226620e+02 1.829074429e+02 2.843198791e+02 3.251828152e+02 3.250437898e+02 1.021341576e+02 1.911882063e+02 2.964481090e+02 1.134266687e+02 1.885670134e+02 1.42 3.041895869e+02 1.692950651e+02 2.654570414e+02 3.041189546e+02 3.039823845e+02 9.471984250e+01 1.769855803e+02 2.768509442e+02 1.043096456e+02 1.745704664e+02 1.44 2.844580931e+02 1.566095412e+02 2.478345373e+02 2.844318021e+02 2.843091015e+02 8.784098931e+01 1.636903628e+02 2.585532376e+02 9.590282720e+01 1.615649778e+02 1.46 2.660110076e+02 1.447660015e+02 2.313288640e+02 2.659958486e+02 2.658985335e+02 8.142803738e+01 1.512530448e+02 2.414471879e+02 8.814249753e+01 1.494774413e+02 1.48 2.487377177e+02 1.336872668e+02 2.158219752e+02 2.487330192e+02 2.486719773e+02 7.541259648e+01 1.396333294e+02 2.254291690e+02 8.098988085e+01 1.382382315e+02 1.50 2.325534541e+02 1.233053232e+02 2.012292683e+02 2.325642030e+02 2.325442147e+02 6.975895051e+01 1.288144946e+02 2.104044693e+02 7.439617747e+01 1.277942731e+02 1.52 2.173895666e+02 1.135778883e+02 1.875328794e+02 2.174068602e+02 2.174216850e+02 6.449373642e+01 1.187551897e+02 1.962806103e+02 6.830448474e+01 1.181219508e+02 1.54 2.031472652e+02 1.044358829e+02 1.746763801e+02 2.031672098e+02 2.032144792e+02 5.958907737e+01 1.094047448e+02 1.829670853e+02 6.266198856e+01 1.091681205e+02 1.56 1.897276030e+02 9.585103022e+01 1.625967486e+02 1.897533172e+02 1.898338217e+02 5.501538577e+01 1.007236066e+02 1.704169427e+02 5.741668466e+01 1.008790069e+02 1.58 1.770320459e+02 8.782064493e+01 1.512361508e+02 1.770928663e+02 1.772090085e+02 5.075180867e+01 9.267707844e+01 1.585820000e+02 5.253547069e+01 9.320164856e+01 1.60 1.650001596e+02 8.034158954e+01 1.405311539e+02 1.651246816e+02 1.652755367e+02 4.677424281e+01 8.521932281e+01 1.474544213e+02 4.800806594e+01 8.608384989e+01 1.62 1.536964128e+02 7.338125172e+01 1.304127808e+02 1.538615458e+02 1.540274404e+02 4.305533102e+01 7.830455944e+01 1.370103378e+02 4.380927723e+01 7.948521772e+01 1.64 1.430804359e+02 6.690866263e+01 1.208319683e+02 1.432558928e+02 1.434163479e+02 3.956814194e+01 7.188861606e+01 1.271990803e+02 3.991535635e+01 7.336383593e+01 1.66 1.330993184e+02 6.089305609e+01 1.117939031e+02 1.332670594e+02 1.334167359e+02 3.628610033e+01 6.593848827e+01 1.179746111e+02 3.631163475e+01 6.767027818e+01 1.68 1.237082950e+02 5.530499092e+01 1.032658500e+02 1.238535070e+02 1.239900163e+02 3.318956167e+01 6.043085361e+01 1.092995731e+02 3.296806742e+01 6.235761087e+01 1.70 1.148699978e+02 5.011865135e+01 9.526914156e+01 1.149910076e+02 1.151103456e+02 3.028852834e+01 5.534272568e+01 1.011518563e+02 2.985828006e+01 5.738110472e+01 1.72 1.065482171e+02 4.530679230e+01 8.778255628e+01 1.066446337e+02 1.067410502e+02 2.757455027e+01 5.064144945e+01 9.351043602e+01 2.695428883e+01 5.269867593e+01 1.74 9.872568656e+01 4.084737736e+01 8.077636932e+01 9.879170317e+01 9.885771977e+01 2.503369345e+01 4.629708474e+01 8.634156966e+01 2.423938497e+01 4.832522441e+01 1.76 9.137867909e+01 3.671286569e+01 7.422059179e+01 9.140471888e+01 9.143075866e+01 2.265088307e+01 4.227640705e+01 7.961467735e+01 2.170313449e+01 4.425370235e+01 1.78 8.448706747e+01 3.287781783e+01 6.808869054e+01 8.446510648e+01 8.444314549e+01 2.041422077e+01 3.854766397e+01 7.330295317e+01 1.933815727e+01 4.046980017e+01 1.80 7.802202831e+01 2.931590465e+01 6.235733515e+01 7.795713912e+01 7.789224992e+01 1.831474954e+01 3.508320490e+01 6.738582182e+01 1.713177651e+01 3.694887043e+01 1.82 7.195239907e+01 2.601315667e+01 5.700340313e+01 7.185250945e+01 7.175261982e+01 1.634347615e+01 3.185749146e+01 6.184698216e+01 1.508023654e+01 3.366369280e+01 1.84 6.624693271e+01 2.294861213e+01 5.201427353e+01 6.612251283e+01 6.599809295e+01 1.450168082e+01 2.884843634e+01 5.665800249e+01 1.317636359e+01 3.058722210e+01 1.86 6.087426357e+01 2.012415996e+01 4.737738844e+01 6.073844730e+01 6.060263102e+01 1.279049395e+01 2.604576490e+01 5.179045676e+01 1.140730870e+01 2.769254648e+01 1.88 5.580311381e+01 1.752785545e+01 4.307313350e+01 5.567176010e+01 5.554040639e+01 1.120379074e+01 2.342769852e+01 4.722112105e+01 9.762163041e+00 2.495308647e+01 1.90 5.104236508e+01 1.515098215e+01 3.908197638e+01 5.092409364e+01 5.080582220e+01 9.735342785e+00 2.097570778e+01 4.295371246e+01 8.230182211e+00 2.238265943e+01 1.92 4.659864463e+01 1.298444290e+01 3.538444766e+01 4.649546754e+01 4.639229046e+01 8.378810978e+00 1.866954215e+01 3.898101354e+01 6.808621028e+00 1.999305863e+01 1.94 4.245296290e+01 1.101290419e+01 3.196112346e+01 4.236674974e+01 4.228053658e+01 7.127739184e+00 1.650329797e+01 3.528648467e+01 5.497119911e+00 1.777068378e+01 1.96 3.858664932e+01 9.221284495e+00 2.879264546e+01 3.851910170e+01 3.845155408e+01 5.975548773e+00 1.447416140e+01 3.185170088e+01 4.289577437e+00 1.570245005e+01 1.98 3.498580449e+01 7.597501402e+00 2.586286720e+01 3.493731430e+01 3.488882411e+01 4.915534331e+00 1.257075660e+01 2.865994995e+01 3.180065634e+00 1.377847765e+01 2.00 3.163544016e+01 6.128852334e+00 2.315471641e+01 3.160540374e+01 3.157536732e+01 3.940860822e+00 1.078163631e+01 2.569419286e+01 2.162703087e+00 1.198852206e+01 2.02 2.851791043e+01 4.801036637e+00 2.064908822e+01 2.850542700e+01 2.849294358e+01 3.044562510e+00 9.103934722e+00 2.293650759e+01 1.231645138e+00 1.032100401e+01 2.04 2.561601312e+01 3.599901845e+00 1.832685083e+01 2.561987076e+01 2.562372841e+01 2.219543978e+00 7.548391409e+00 2.036940374e+01 3.820695257e-01 8.765249326e+00 2.06 2.291393581e+01 2.511426654e+00 1.617342693e+01 2.293369100e+01 2.295344620e+01 1.462288911e+00 6.110812643e+00 1.798836677e+01 -3.899387879e-01 7.313400174e+00 2.08 2.039623378e+01 1.521705157e+00 1.418070064e+01 2.043375726e+01 2.047128074e+01 7.745077891e-01 4.784227009e+00 1.578673532e+01 -1.089880568e+00 5.958389130e+00 2.10 1.804741076e+01 6.175150846e-01 1.233056435e+01 1.810452450e+01 1.816163824e+01 1.498671327e-01 3.561450628e+00 1.375128247e+01 -1.722641272e+00 4.693117906e+00 2.12 1.586577631e+01 -2.011488041e-01 1.061364268e+01 1.594067412e+01 1.601557194e+01 -4.184400200e-01 2.435468625e+00 1.187344067e+01 -2.293553126e+00 3.517384772e+00 2.14 1.385258887e+01 -9.372024841e-01 9.022479379e+00 1.393907116e+01 1.402555345e+01 -9.373510058e-01 1.399423158e+00 1.014567625e+01 -2.808139735e+00 2.432454827e+00 2.16 1.199679413e+01 -1.601465208e+00 7.541354720e+00 1.208731517e+01 1.217783622e+01 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