# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = Nb3Ta # 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 2026-06-16 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 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 3.994860255e+02 nan nan 1.14 3.695592939e+02 nan nan 1.16 3.419725836e+02 nan nan 1.18 3.165261424e+02 nan nan 1.20 2.930341273e+02 nan nan 1.22 2.713230145e+02 nan nan 1.24 2.512340271e+02 nan nan 1.26 2.326252307e+02 3.477390288e+02 nan 1.28 2.153706749e+02 3.238696016e+02 3.678923982e+02 1.30 1.993574518e+02 3.016947431e+02 3.433088515e+02 1.32 1.844832785e+02 2.810847659e+02 3.204277696e+02 1.34 1.706559760e+02 2.619168047e+02 2.991093234e+02 1.36 1.577940165e+02 2.440745492e+02 2.792246552e+02 1.38 1.458264844e+02 2.274492664e+02 2.606573091e+02 1.40 1.346915880e+02 2.119402680e+02 2.433044593e+02 1.42 1.243339956e+02 1.974548319e+02 2.270770556e+02 1.44 1.147018500e+02 1.839085430e+02 2.118985936e+02 1.46 1.057444112e+02 1.712262483e+02 1.977023644e+02 1.48 9.741105372e+01 1.593428610e+02 1.844275316e+02 1.50 8.965176585e+01 1.482031086e+02 1.720153685e+02 1.52 8.241855513e+01 1.377599176e+02 1.604072954e+02 1.54 7.566690863e+01 1.279718944e+02 1.495452244e+02 1.56 6.935674811e+01 1.188008592e+02 1.393732203e+02 1.58 6.345278756e+01 1.102102443e+02 1.298390472e+02 1.60 5.792445395e+01 1.021646145e+02 1.208948379e+02 1.62 5.274596193e+01 9.462995150e+01 1.124970011e+02 1.64 4.791949241e+01 8.757410307e+01 1.046058739e+02 1.66 4.344021374e+01 8.096693394e+01 9.718551136e+01 1.68 3.928827220e+01 7.478007431e+01 9.020367888e+01 1.70 3.544482166e+01 6.898643589e+01 8.363185751e+01 1.72 3.189135579e+01 6.355976988e+01 7.744501147e+01 1.74 2.860938514e+01 5.847447057e+01 7.162100829e+01 1.76 2.558046375e+01 5.370567328e+01 6.613981333e+01 1.78 2.278644251e+01 4.923695804e+01 6.098273217e+01 1.80 2.020980736e+01 4.506712883e+01 5.613192334e+01 1.82 1.783398578e+01 4.117584776e+01 5.157240321e+01 1.84 1.564355671e+01 3.754304020e+01 4.730997869e+01 1.86 1.362434515e+01 3.415101140e+01 4.333366309e+01 1.88 1.176341507e+01 3.098432128e+01 3.962595392e+01 1.90 1.004899395e+01 2.802953635e+01 3.617033391e+01 1.92 8.470359746e+00 2.527487997e+01 3.295100825e+01 1.94 7.017726150e+00 2.270980655e+01 2.995269074e+01 1.96 5.682139312e+00 2.032454829e+01 2.716050626e+01 1.98 4.455386633e+00 1.810968411e+01 2.456003260e+01 2.00 3.329896679e+00 1.605578634e+01 2.213745581e+01 2.02 2.298613553e+00 1.415319735e+01 1.987977860e+01 2.04 1.354849926e+00 1.239197977e+01 1.777501356e+01 2.06 4.921472928e-01 1.076204471e+01 1.581230895e+01 2.08 -2.958133797e-01 9.253414540e+00 1.398198877e+01 2.10 -1.015225351e+00 7.856530544e+00 1.227551142e+01 2.12 -1.672095584e+00 6.562515703e+00 1.068535948e+01 2.14 -2.272142291e+00 5.363334138e+00 9.204872034e+00 2.16 -2.820688393e+00 4.251840212e+00 7.828034087e+00 2.18 -3.322581240e+00 3.221739734e+00 6.549241573e+00 2.20 -3.782152448e+00 2.267496628e+00 5.363071018e+00 2.22 -4.203217541e+00 1.384212905e+00 4.264097161e+00 2.24 -4.589105840e+00 5.674998511e-01 3.246800046e+00 2.26 -4.942708459e+00 -1.866526658e-01 2.305581481e+00 2.28 -5.266533994e+00 -8.820028733e-01 1.434876786e+00 2.30 -5.562764703e+00 -1.522173655e+00 6.293161044e-01 2.32 -5.833310783e+00 -2.110747295e+00 -1.161224977e-01 2.34 -6.079859172e+00 -2.651325381e+00 -8.060116203e-01 2.36 -6.303916624e+00 -3.147539421e+00 -1.444438650e+00 2.38 -6.506843636e+00 -3.603009140e+00 -2.035025441e+00 2.40 -6.689880009e+00 -4.021258271e+00 -2.580981869e+00 2.42 -6.854161862e+00 -4.405611754e+00 -3.085170527e+00 2.44 -7.000732052e+00 -4.759101912e+00 -3.550167383e+00 2.46 -7.130546930e+00 -5.084407809e+00 -3.978311944e+00 2.48 -7.244480618e+00 -5.383836618e+00 -4.371745996e+00 2.50 -7.343330247e+00 -5.659343559e+00 -4.732442725e+00 2.52 -7.427819321e+00 -5.912576667e+00 -5.062229962e+00 2.54 -7.497829482e+00 -6.144932963e+00 -5.362811268e+00 2.56 -7.553827927e+00 -6.357612637e+00 -5.635787055e+00 2.58 -7.596845406e+00 -6.551665590e+00 -5.882677600e+00 2.60 -7.627699875e+00 -6.728027016e+00 -6.104949051e+00 2.62 -7.647119581e+00 -6.887543799e+00 -6.304041398e+00 2.64 -7.655700910e+00 -7.030992563e+00 -6.481395904e+00 2.66 -7.654011024e+00 -7.159093236e+00 -6.638478525e+00 2.68 -7.642608977e+00 -7.272519363e+00 -6.776794635e+00 2.70 -7.622059987e+00 -7.371907258e+00 -6.897890145e+00 2.72 -7.592943791e+00 -7.457864359e+00 -7.003336373e+00 2.74 -7.555354459e+00 -7.530977441e+00 -7.094699383e+00 2.76 -7.509213159e+00 -7.591820352e+00 -7.173497970e+00 2.78 -7.454491887e+00 -7.640634962e+00 -7.241157867e+00 2.80 -7.391197772e+00 -7.677491591e+00 -7.298971062e+00 2.82 -7.319356202e+00 -7.703217493e+00 -7.348067079e+00 2.84 -7.238998455e+00 -7.718622581e+00 -7.389283421e+00 2.86 -7.150153970e+00 -7.724478169e+00 -7.422666106e+00 2.88 -7.052846552e+00 -7.721456141e+00 -7.449011040e+00 2.90 -6.947094644e+00 -7.710146139e+00 -7.469109482e+00 2.92 -6.832915484e+00 -7.691106094e+00 -7.483580197e+00 2.94 -6.710333296e+00 -7.664854352e+00 -7.492852543e+00 2.96 -6.579392022e+00 -7.631883612e+00 -7.497190969e+00 2.98 -6.440172660e+00 -7.592444638e+00 -7.496789675e+00 3.00 -6.292814714e+00 -7.546414033e+00 -7.491790036e+00 3.02 -6.137541633e+00 -7.493658026e+00 -7.482300812e+00 3.04 -5.974686233e+00 -7.434040528e+00 -7.468328012e+00 3.06 -5.804714283e+00 -7.367416506e+00 -7.449519588e+00 3.08 -5.628239908e+00 -7.293630575e+00 -7.425530034e+00 3.10 -5.446028148e+00 -7.212520980e+00 -7.396067231e+00 3.12 -5.258980801e+00 -7.123929049e+00 -7.360887267e+00 3.14 -5.068102346e+00 -7.027713963e+00 -7.319792106e+00 3.16 -4.874449830e+00 -6.923772820e+00 -7.272629167e+00 3.18 -4.679070594e+00 -6.812064183e+00 -7.219292076e+00 3.20 -4.482939910e+00 -6.692634910e+00 -7.159721511e+00 3.22 -4.286906636e+00 -6.565646105e+00 -7.093905479e+00 3.24 -4.091660069e+00 -6.431397506e+00 -7.021878488e+00 3.26 -3.897720451e+00 -6.290343877e+00 -6.943718963e+00 3.28 -3.705457990e+00 -6.143102107e+00 -6.859544491e+00 3.30 -3.515133533e+00 -5.990443481e+00 -6.769505279e+00 3.32 -3.326955804e+00 -5.833271090e+00 -6.673775981e+00 3.34 -3.141142890e+00 -5.672581336e+00 -6.572545893e+00 3.36 -2.957980213e+00 -5.509412575e+00 -6.466008391e+00 3.38 -2.777862683e+00 -5.344787522e+00 -6.354350162e+00 3.40 -2.601317157e+00 -5.179653558e+00 -6.237740706e+00 3.42 -2.428999325e+00 -5.014831732e+00 -6.116322653e+00 3.44 -2.261665669e+00 -4.850975795e+00 -5.990203450e+00 3.46 -2.100126408e+00 -4.688549743e+00 -5.859448847e+00 3.48 -1.945183295e+00 -4.527820009e+00 -5.724078665e+00 3.50 -1.797565528e+00 -4.368865123e+00 -5.584065104e+00 3.52 -1.657871048e+00 -4.211596126e+00 -5.439333965e+00 3.54 -1.526520765e+00 -4.055786826e+00 -5.289769342e+00 3.56 -1.403734847e+00 -3.901108408e+00 -5.135222031e+00 3.58 -1.289525808e+00 -3.747166554e+00 -4.975522203e+00 3.60 -1.183714605e+00 -3.593538674e+00 -4.810496442e+00 3.62 -1.085958147e+00 -3.439809724e+00 -4.639989407e+00 3.64 -9.957881472e-01 -3.285607143e+00 -4.463890405e+00 3.66 -9.126532568e-01 -3.130633179e+00 -4.282164113e+00 3.68 -8.359598155e-01 -2.974694937e+00 -4.094883701e+00 3.70 -7.651093289e-01 -2.817730820e+00 -3.902265599e+00 3.72 -6.995286582e-01 -2.659833715e+00 -3.704703611e+00 3.74 -6.386929618e-01 -2.501266302e+00 -3.502796906e+00 3.76 -5.821409792e-01 -2.342468890e+00 -3.297369534e+00 3.78 -5.294823117e-01 -2.184057030e+00 -3.089477904e+00 3.80 -4.803991840e-01 -2.026807343e+00 -2.880401408e+00 3.82 -4.346415264e-01 -1.871630001e+00 -2.671613803e+00 3.84 -3.920130601e-01 -1.719530157e+00 -2.464736209e+00 3.86 -3.523722575e-01 -1.571559676e+00 -2.261473603e+00 3.88 -3.156156364e-01 -1.428763397e+00 -2.063539445e+00 3.90 -2.816581360e-01 -1.292124345e+00 -1.872575399e+00 3.92 -2.504223260e-01 -1.162512768e+00 -1.690073049e+00 3.94 -2.218295323e-01 -1.040645301e+00 -1.517308078e+00 3.96 -1.957925847e-01 -9.270565555e-01 -1.355291053e+00 3.98 -1.722113497e-01 -8.220838736e-01 -1.204737429e+00 4.00 -1.509708413e-01 -7.258669421e-01 -1.066059940e+00 4.02 -1.319419043e-01 -6.383606334e-01 -9.393819814e-01 4.04 -1.149821327e-01 -5.593565430e-01 -8.245655420e-01 4.06 -9.992960697e-02 -4.885104436e-01 -7.212497707e-01 4.08 -8.663445120e-02 -4.253737680e-01 -6.288970744e-01 4.10 -7.494688163e-02 -3.694244792e-01 -5.468396797e-01 4.12 -6.471571283e-02 -3.200956084e-01 -4.743236155e-01 4.14 -5.579269516e-02 -2.768003221e-01 -4.105480161e-01 4.16 -4.803586564e-02 -2.389524108e-01 -3.546981585e-01 4.18 -4.131182842e-02 -2.059821433e-01 -3.059717183e-01 4.20 -3.549723572e-02 -1.773482462e-01 -2.635984240e-01 4.22 -3.047947642e-02 -1.525452441e-01 -2.268530224e-01 4.24 -2.615689864e-02 -1.310910962e-01 -1.950640533e-01 4.26 -2.243861322e-02 -1.125688870e-01 -1.676186988e-01 4.28 -1.924396281e-02 -9.661254001e-02 -1.439593499e-01 4.30 -1.650183797e-02 -8.288962909e-02 -1.235744031e-01 4.32 -1.414992565e-02 -7.110275255e-02 -1.060393294e-01 4.34 -1.213387314e-02 -6.098861758e-02 -9.097704931e-02 4.36 -1.040643660e-02 -5.231593591e-02 -7.805205564e-02 4.38 -8.926710755e-03 -4.488290464e-02 -6.696901295e-02 4.40 -7.659382193e-03 -3.851436962e-02 -5.747000255e-02 4.42 -6.574021180e-03 -3.305878327e-02 -4.933090445e-02 4.44 -5.644457349e-03 -2.838544157e-02 -4.235784193e-02 4.46 -4.848235862e-03 -2.438196574e-02 -3.638377362e-02 4.48 -4.166101898e-03 -2.095184762e-02 -3.126504213e-02 4.50 -3.581559053e-03 -1.801231329e-02 -2.687831151e-02 4.52 -3.080495044e-03 -1.549249778e-02 -2.311792056e-02 4.54 -2.650841895e-03 -1.333177126e-02 -1.989342936e-02 4.56 -2.282279852e-03 -1.147826257e-02 -1.712744074e-02 4.58 -1.965989493e-03 -9.887632561e-03 -1.475378467e-02 4.60 -1.694438845e-03 -8.522007028e-03 -1.271593355e-02 4.62 -1.461190245e-03 -7.349011531e-03 -1.096556587e-02 4.64 -1.260742468e-03 -6.340976897e-03 -9.461382360e-03 4.66 -1.088396883e-03 -5.474271828e-03 -8.168111134e-03 4.68 -9.401374736e-04 -4.728697137e-03 -7.055603559e-03 4.70 -8.125299836e-04 -4.086979304e-03 -6.098078485e-03 4.72 -7.026386637e-04 -3.534352765e-03 -5.273498924e-03 4.74 -6.079529409e-04 -3.058191152e-03 -4.563020366e-03 4.76 -5.263236584e-04 -2.647685572e-03 -3.950512155e-03 4.78 -4.559111808e-04 -2.293583795e-03 -3.422166891e-03 4.80 -3.951406773e-04 -1.987966472e-03 -2.966166622e-03 4.82 -3.426625346e-04 -1.724046410e-03 -2.572383176e-03 4.84 -2.973195553e-04 -1.496004472e-03 -2.232133130e-03 4.86 -2.581198322e-04 -1.298852837e-03 -1.937973772e-03 4.88 -2.242121774e-04 -1.128311524e-03 -1.683518707e-03 4.90 -1.948656236e-04 -9.807049664e-04 -1.463283522e-03 4.92 -1.694524819e-04 -8.528770623e-04 -1.272558969e-03 4.94 -1.474334397e-04 -7.421162315e-04 -1.107299145e-03 4.96 -1.283446154e-04 -6.460900363e-04 -9.640238782e-04 4.98 -1.117868939e-04 -5.627917921e-04 -8.397390813e-04 5.00 -9.741689652e-05 -4.904950482e-04 -7.318688117e-04 5.02 -8.493878712e-05 -4.277124371e-04 -6.381938656e-04 5.04 -7.409758660e-05 -3.731619132e-04 -5.568013900e-04 5.06 -6.467353601e-05 -3.257386076e-04 -4.860428999e-04 5.08 -5.647705142e-05 -2.844893167e-04 -4.244961990e-04 5.10 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-4.033930339e-05 5.46 -4.714814378e-06 -2.382159304e-05 -3.555002020e-05 5.48 -4.156007087e-06 -2.100234395e-05 -3.134301280e-05 5.50 -3.664990558e-06 -1.852469668e-05 -2.764572949e-05 5.52 -3.233349447e-06 -1.634628589e-05 -2.439495738e-05 5.54 -2.853738942e-06 -1.443013277e-05 -2.153552065e-05 5.56 -2.519741635e-06 -1.274392361e-05 -1.901920382e-05 5.58 -2.225749100e-06 -1.125941402e-05 -1.680386302e-05 5.60 -1.966859984e-06 -9.951919408e-06 -1.485266589e-05 5.62 -1.738786563e-06 -8.799841643e-06 -1.313338519e-05 5.64 -1.537775596e-06 -7.784273058e-06 -1.161780797e-05 5.66 -1.360542470e-06 -6.888664304e-06 -1.028124016e-05 5.68 -1.204210317e-06 -6.098519273e-06 -9.102051243e-06 5.70 -1.066257533e-06 -5.401129422e-06 -8.061277922e-06 5.72 -9.444737211e-07 -4.785353478e-06 -7.142295387e-06 5.74 -8.369208913e-07 -4.241421976e-06 -6.330525770e-06 5.76 -7.418981232e-07 -3.760759022e-06 -5.613172098e-06 5.78 -6.579121278e-07 -3.335834502e-06 -4.978997844e-06 5.80 -5.836521206e-07 -2.960037645e-06 -4.418138269e-06 5.82 -5.179662783e-07 -2.627558618e-06 -3.921923753e-06 5.84 -4.598420224e-07 -2.333288786e-06 -3.482730944e-06 5.86 -4.083892280e-07 -2.072736908e-06 -3.093857765e-06 5.88 -3.628249937e-07 -1.841951960e-06 -2.749408231e-06 5.90 -3.224601144e-07 -1.637455211e-06 -2.444191097e-06 5.92 -2.866878879e-07 -1.456183775e-06 -2.173635639e-06 5.94 -2.549741340e-07 -1.295440527e-06 -1.933716930e-06 5.96 -2.268480653e-07 -1.152847936e-06 -1.720886940e-06 5.98 -2.018946559e-07 -1.026309644e-06 -1.532017207e-06 6.00 -1.797480799e-07 -9.139775752e-07 -1.364349775e-06