# 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 = Hf3Nb # 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 4.144330700e+02 nan nan 1.14 3.836917534e+02 nan nan 1.16 3.553320305e+02 nan nan 1.18 3.291258029e+02 nan nan 1.20 3.049001170e+02 nan nan 1.22 2.825147276e+02 nan nan 1.24 2.618222638e+02 nan nan 1.26 2.426721492e+02 3.610399168e+02 nan 1.28 2.249326446e+02 3.364549670e+02 3.802923686e+02 1.30 2.084981769e+02 3.136244198e+02 3.551113090e+02 1.32 1.932745909e+02 2.924143827e+02 3.316648525e+02 1.34 1.791667803e+02 2.726886179e+02 3.098125864e+02 1.36 1.660792728e+02 2.543246488e+02 2.894338021e+02 1.38 1.539257272e+02 2.372141369e+02 2.704247214e+02 1.40 1.426335165e+02 2.212594474e+02 2.526950036e+02 1.42 1.321429768e+02 2.063742358e+02 2.361562794e+02 1.44 1.223987321e+02 1.924858922e+02 2.207206166e+02 1.46 1.133434619e+02 1.795329253e+02 2.063080106e+02 1.48 1.049187541e+02 1.674560415e+02 1.928465284e+02 1.50 9.706941863e+01 1.561886265e+02 1.802656182e+02 1.52 8.974890631e+01 1.456601095e+02 1.684943767e+02 1.54 8.292129739e+01 1.358081949e+02 1.574685022e+02 1.56 7.656488256e+01 1.265836895e+02 1.471325200e+02 1.58 7.065527080e+01 1.179449251e+02 1.374377511e+02 1.60 6.516530338e+01 1.098499869e+02 1.283396640e+02 1.62 6.006743479e+01 1.022583601e+02 1.197989276e+02 1.64 5.533380998e+01 9.513399288e+01 1.117836513e+02 1.66 5.093472181e+01 8.844730963e+01 1.042693615e+02 1.68 4.684097902e+01 8.217511126e+01 9.723194923e+01 1.70 4.302623375e+01 7.630419793e+01 9.064191811e+01 1.72 3.946893841e+01 7.081786707e+01 8.446517916e+01 1.74 3.615171464e+01 6.569635135e+01 7.867137461e+01 1.76 3.305914945e+01 6.091709125e+01 7.323882978e+01 1.78 3.017627432e+01 5.645679949e+01 6.814547470e+01 1.80 2.748786065e+01 5.229170429e+01 6.337064512e+01 1.82 2.497928429e+01 4.839899448e+01 5.889457519e+01 1.84 2.263807440e+01 4.475920926e+01 5.469656956e+01 1.86 2.045458235e+01 4.135598285e+01 5.075656276e+01 1.88 1.842085285e+01 3.817515257e+01 4.705623830e+01 1.90 1.652893659e+01 3.520314750e+01 4.357939278e+01 1.92 1.477010278e+01 3.242606342e+01 4.031252649e+01 1.94 1.313531056e+01 2.982930517e+01 3.724474339e+01 1.96 1.161628846e+01 2.739868801e+01 3.436731379e+01 1.98 1.020545698e+01 2.512159748e+01 3.167218194e+01 2.00 8.896136806e+00 2.298701674e+01 2.915015970e+01 2.02 7.681853219e+00 2.098515377e+01 2.679043374e+01 2.04 6.556530036e+00 1.910699237e+01 2.458202744e+01 2.06 5.514512350e+00 1.734438870e+01 2.251416118e+01 2.08 4.550363659e+00 1.569022735e+01 2.057663451e+01 2.10 3.658646321e+00 1.413815396e+01 1.876001063e+01 2.12 2.833325584e+00 1.268249279e+01 1.705591391e+01 2.14 2.068541195e+00 1.131774607e+01 1.545737838e+01 2.16 1.358540233e+00 1.003884088e+01 1.395812224e+01 2.18 6.984132462e-01 8.840676419e+00 1.255318455e+01 2.20 8.411124641e-02 7.718187782e+00 1.123755831e+01 2.22 -4.877787858e-01 6.666506326e+00 1.000590570e+01 2.24 -1.020306235e+00 5.681427133e+00 8.852575440e+00 2.26 -1.516302653e+00 4.759670466e+00 7.771733759e+00 2.28 -1.978052516e+00 3.898754984e+00 6.758218834e+00 2.30 -2.407353514e+00 3.096747967e+00 5.807425290e+00 2.32 -2.805184692e+00 2.350891007e+00 4.915353651e+00 2.34 -3.172006013e+00 1.657419278e+00 4.078571092e+00 2.36 -3.508403048e+00 1.012048714e+00 3.293910598e+00 2.38 -3.815689984e+00 4.105548535e-01 2.558701854e+00 2.40 -4.096111728e+00 -1.504824670e-01 1.870397360e+00 2.42 -4.352525977e+00 -6.737888569e-01 1.226451717e+00 2.44 -4.587874268e+00 -1.161503247e+00 6.242315621e-01 2.46 -4.804759836e+00 -1.615413881e+00 6.068126763e-02 2.48 -5.005245985e+00 -2.037183238e+00 -4.669931244e-01 2.50 -5.190769659e+00 -2.428540425e+00 -9.613321545e-01 2.52 -5.362572860e+00 -2.791426555e+00 -1.424227471e+00 2.54 -5.521302856e+00 -3.128062895e+00 -1.856955505e+00 2.56 -5.667579328e+00 -3.440909664e+00 -2.260527306e+00 2.58 -5.801878240e+00 -3.732440718e+00 -2.635979830e+00 2.60 -5.923125442e+00 -4.005233349e+00 -2.984860841e+00 2.62 -6.030008161e+00 -4.261195036e+00 -3.308614346e+00 2.64 -6.123519438e+00 -4.501713774e+00 -3.608865573e+00 2.66 -6.204550850e+00 -4.727455529e+00 -3.887229820e+00 2.68 -6.273894888e+00 -4.938487488e+00 -4.145271395e+00 2.70 -6.332149800e+00 -5.134608474e+00 -4.384468973e+00 2.72 -6.379662652e+00 -5.315725696e+00 -4.606175825e+00 2.74 -6.416722275e+00 -5.481996567e+00 -4.811564519e+00 2.76 -6.443793007e+00 -5.634133963e+00 -5.001685845e+00 2.78 -6.461277711e+00 -5.772848019e+00 -5.177370302e+00 2.80 -6.470235354e+00 -5.899040799e+00 -5.339340443e+00 2.82 -6.471797854e+00 -6.013107849e+00 -5.488235436e+00 2.84 -6.466440489e+00 -6.114984072e+00 -5.624664356e+00 2.86 -6.454407976e+00 -6.204231948e+00 -5.749264770e+00 2.88 -6.436255013e+00 -6.281962848e+00 -5.862761082e+00 2.90 -6.412388275e+00 -6.349297464e+00 -5.965981407e+00 2.92 -6.383298420e+00 -6.407186653e+00 -6.057735690e+00 2.94 -6.349461455e+00 -6.456372674e+00 -6.138548435e+00 2.96 -6.311308520e+00 -6.497382018e+00 -6.209834285e+00 2.98 -6.269197565e+00 -6.530609522e+00 -6.273037284e+00 3.00 -6.223394969e+00 -6.556311509e+00 -6.329338074e+00 3.02 -6.174072844e+00 -6.574992603e+00 -6.379504999e+00 3.04 -6.121321940e+00 -6.587081299e+00 -6.423801236e+00 3.06 -6.065173591e+00 -6.592869482e+00 -6.462199294e+00 3.08 -6.005622347e+00 -6.593142627e+00 -6.494484199e+00 3.10 -5.942643758e+00 -6.587770128e+00 -6.520358080e+00 3.12 -5.876205867e+00 -6.576669725e+00 -6.539571152e+00 3.14 -5.806276247e+00 -6.559750920e+00 -6.552594775e+00 3.16 -5.732827860e+00 -6.536926866e+00 -6.559504471e+00 3.18 -5.655846507e+00 -6.508121759e+00 -6.560256063e+00 3.20 -5.575341489e+00 -6.473282995e+00 -6.554843036e+00 3.22 -5.491358706e+00 -6.432396545e+00 -6.543418912e+00 3.24 -5.403992680e+00 -6.385502510e+00 -6.526242123e+00 3.26 -5.313392841e+00 -6.332706646e+00 -6.503662151e+00 3.28 -5.219761881e+00 -6.274185092e+00 -6.476100024e+00 3.30 -5.123282736e+00 -6.210182748e+00 -6.444016760e+00 3.32 -5.024310363e+00 -6.141011153e+00 -6.407871809e+00 3.34 -4.923028896e+00 -6.067023156e+00 -6.368081130e+00 3.36 -4.819676834e+00 -5.988757067e+00 -6.324986083e+00 3.38 -4.714426626e+00 -5.906756832e+00 -6.278839839e+00 3.40 -4.607660916e+00 -5.821732231e+00 -6.229810617e+00 3.42 -4.499646916e+00 -5.734509916e+00 -6.177995749e+00 3.44 -4.390821342e+00 -5.645986242e+00 -6.123445604e+00 3.46 -4.281675724e+00 -5.557048164e+00 -6.066040775e+00 3.48 -4.172999715e+00 -5.468481678e+00 -6.006017264e+00 3.50 -4.065455032e+00 -5.380895859e+00 -5.943191832e+00 3.52 -3.959771562e+00 -5.294682512e+00 -5.877505646e+00 3.54 -3.856598425e+00 -5.210017553e+00 -5.808880630e+00 3.56 -3.756443601e+00 -5.126895352e+00 -5.737219173e+00 3.58 -3.659650112e+00 -5.045179796e+00 -5.662405355e+00 3.60 -3.566412007e+00 -4.964657105e+00 -5.584309559e+00 3.62 -3.476812306e+00 -4.885079780e+00 -5.502798259e+00 3.64 -3.390861894e+00 -4.806197548e+00 -5.417750662e+00 3.66 -3.308524639e+00 -4.727775061e+00 -5.329083314e+00 3.68 -3.229725990e+00 -4.649598472e+00 -5.236782426e+00 3.70 -3.154353326e+00 -4.571474793e+00 -5.140941677e+00 3.72 -3.082254636e+00 -4.493227551e+00 -5.041800176e+00 3.74 -3.013242023e+00 -4.414693593e+00 -4.939771694e+00 3.76 -2.947100141e+00 -4.335724122e+00 -4.835455215e+00 3.78 -2.883598037e+00 -4.256192458e+00 -4.729618357e+00 3.80 -2.822501570e+00 -4.176006740e+00 -4.623150672e+00 3.82 -2.763584175e+00 -4.095123089e+00 -4.516992753e+00 3.84 -2.706634865e+00 -4.013555177e+00 -4.412055446e+00 3.86 -2.651408965e+00 -3.931315319e+00 -4.309059973e+00 3.88 -2.597857752e+00 -3.848667291e+00 -4.208849080e+00 3.90 -2.545768453e+00 -3.765715797e+00 -4.111790723e+00 3.92 -2.495018139e+00 -3.682688270e+00 -4.018186127e+00 3.94 -2.445503412e+00 -3.599856880e+00 -3.928183771e+00 3.96 -2.397137929e+00 -3.517537909e+00 -3.841810487e+00 3.98 -2.349849957e+00 -3.436088425e+00 -3.759003691e+00 4.00 -2.303579986e+00 -3.355896311e+00 -3.679640176e+00 4.02 -2.258278749e+00 -3.277380533e+00 -3.603559452e+00 4.04 -2.213905510e+00 -3.200687355e+00 -3.530581197e+00 4.06 -2.170426733e+00 -3.126618532e+00 -3.460517743e+00 4.08 -2.127814979e+00 -3.055199835e+00 -3.393182951e+00 4.10 -2.086048006e+00 -2.986616014e+00 -3.328398113e+00 4.12 -2.044944146e+00 -2.920957211e+00 -3.265995616e+00 4.14 -2.004849421e+00 -2.858225013e+00 -3.205820835e+00 4.16 -1.965549457e+00 -2.798347149e+00 -3.147732382e+00 4.18 -1.927036200e+00 -2.741196335e+00 -3.091600704e+00 4.20 -1.889302082e+00 -2.686608937e+00 -3.037304976e+00 4.22 -1.852338673e+00 -2.634400364e+00 -2.984728230e+00 4.24 -1.816135066e+00 -2.584375643e+00 -2.933750875e+00 4.26 -1.780676094e+00 -2.536335166e+00 -2.884243199e+00 4.28 -1.745898284e+00 -2.490076815e+00 -2.836058118e+00 4.30 -1.711865949e+00 -2.445396321e+00 -2.789025841e+00 4.32 -1.678491609e+00 -2.402088071e+00 -2.742952571e+00 4.34 -1.645734045e+00 -2.359948416e+00 -2.697625249e+00 4.36 -1.613548917e+00 -2.318782202e+00 -2.652822647e+00 4.38 -1.581892820e+00 -2.278411903e+00 -2.608331297e+00 4.40 -1.550727540e+00 -2.238687093e+00 -2.563962569e+00 4.42 -1.520023469e+00 -2.199491629e+00 -2.519566794e+00 4.44 -1.489761349e+00 -2.160746531e+00 -2.475050653e+00 4.46 -1.459932139e+00 -2.122408039e+00 -2.430115813e+00 4.48 -1.430535242e+00 -2.084461497e+00 -2.385252246e+00 4.50 -1.401575914e+00 -2.046913312e+00 -2.340213755e+00 4.52 -1.373062572e+00 -2.009782844e+00 -2.295058195e+00 4.54 -1.345004476e+00 -1.973095481e+00 -2.249867225e+00 4.56 -1.317410034e+00 -1.936877534e+00 -2.204742355e+00 4.58 -1.290285767e+00 -1.901153012e+00 -2.159802033e+00 4.60 -1.263635803e+00 -1.865941937e+00 -2.115178531e+00 4.62 -1.237461757e+00 -1.831259749e+00 -2.071013620e+00 4.64 -1.211762832e+00 -1.797117395e+00 -2.027452469e+00 4.66 -1.186536016e+00 -1.763521757e+00 -1.984635995e+00 4.68 -1.161776346e+00 -1.730476280e+00 -1.942692649e+00 4.70 -1.137477133e+00 -1.697981653e+00 -1.901730805e+00 4.72 -1.113630155e+00 -1.665908638e+00 -1.861833052e+00 4.74 -1.090225799e+00 -1.634531458e+00 -1.823053235e+00 4.76 -1.067253156e+00 -1.603691341e+00 -1.785416436e+00 4.78 -1.044700054e+00 -1.573383344e+00 -1.748921528e+00 4.80 -1.022553055e+00 -1.543601619e+00 -1.713545529e+00 4.82 -1.000797408e+00 -1.514339630e+00 -1.679248891e+00 4.84 -9.794169563e-01 -1.485590318e+00 -1.645980873e+00 4.86 -9.583940351e-01 -1.457346218e+00 -1.613684380e+00 4.88 -9.377093181e-01 -1.429599535e+00 -1.582299965e+00 4.90 -9.173416724e-01 -1.402342205e+00 -1.551768840e+00 4.92 -8.972679851e-01 -1.375565920e+00 -1.522034965e+00 4.94 -8.774630070e-01 -1.349262147e+00 -1.493046333e+00 4.96 -8.578992134e-01 -1.323422116e+00 -1.464755620e+00 4.98 -8.385466981e-01 -1.298036817e+00 -1.437120383e+00 5.00 -8.193731551e-01 -1.273096960e+00 -1.410102943e+00 5.02 -8.003439401e-01 -1.248592947e+00 -1.383670070e+00 5.04 -7.814223061e-01 -1.224514821e+00 -1.357792580e+00 5.06 -7.625698175e-01 -1.200852207e+00 -1.332444870e+00 5.08 -7.437470384e-01 -1.177594251e+00 -1.307604467e+00 5.10 -7.249145277e-01 -1.154729537e+00 -1.283251594e+00 5.12 -7.060342179e-01 -1.132246010e+00 -1.259368777e+00 5.14 -6.870712010e-01 -1.110130880e+00 -1.235940491e+00 5.16 -6.679959205e-01 -1.088370519e+00 -1.212952857e+00 5.18 -6.487867723e-01 -1.066950363e+00 -1.190393382e+00 5.20 -6.294328681e-01 -1.045854795e+00 -1.168250728e+00 5.22 -6.099369587e-01 -1.025067046e+00 -1.146514530e+00 5.24 -5.903179241e-01 -1.004569087e+00 -1.125175231e+00 5.26 -5.706127400e-01 -9.843415523e-01 -1.104223957e+00 5.28 -5.508772538e-01 -9.643636690e-01 -1.083652401e+00 5.30 -5.311854926e-01 -9.446132473e-01 -1.063452732e+00 5.32 -5.116272910e-01 -9.250667081e-01 -1.043617523e+00 5.34 -4.923040192e-01 -9.056992071e-01 -1.024139681e+00 5.36 -4.733229366e-01 -8.864848503e-01 -1.005012397e+00 5.38 -4.547904032e-01 -8.673970529e-01 -9.862291033e-01 5.40 -4.368050123e-01 -8.484090636e-01 -9.677834309e-01 5.42 -4.194511408e-01 -8.294946735e-01 -9.496691824e-01 5.44 -4.027940286e-01 -8.106291689e-01 -9.318842592e-01 5.46 -3.868764732e-01 -7.917904746e-01 -9.143487682e-01 5.48 -3.717177652e-01 -7.729605762e-01 -8.972025048e-01 5.50 -3.573143983e-01 -7.541270426e-01 -8.803624985e-01 5.52 -3.436424138e-01 -7.352847482e-01 -8.638232757e-01 5.54 -3.306608256e-01 -7.164374448e-01 -8.475793546e-01 5.56 -3.183155898e-01 -6.975992708e-01 -8.316252330e-01 5.58 -3.065438241e-01 -6.787956999e-01 -8.159553744e-01 5.60 -2.952777388e-01 -6.600640139e-01 -8.005641924e-01 5.62 -2.844482836e-01 -6.414528053e-01 -7.854460330e-01 5.64 -2.739882589e-01 -6.230206506e-01 -7.705951538e-01 5.66 -2.638350242e-01 -6.048337257e-01 -7.560057007e-01 5.68 -2.539326704e-01 -5.869626152e-01 -7.416716818e-01 5.70 -2.442338814e-01 -5.694785462e-01 -7.275869376e-01 5.72 -2.347013023e-01 -5.524493409e-01 -7.137451070e-01 5.74 -2.253085910e-01 -5.359356895e-01 -7.001395891e-01 5.76 -2.160409874e-01 -5.199878743e-01 -6.867635017e-01 5.78 -2.068953703e-01 -5.046435759e-01 -6.736096333e-01 5.80 -1.978798077e-01 -4.899265582e-01 -6.606703885e-01 5.82 -1.890123898e-01 -4.758466065e-01 -6.479377310e-01 5.84 -1.803195696e-01 -4.624002404e-01 -6.354031188e-01 5.86 -1.718338754e-01 -4.495722735e-01 -6.230574295e-01 5.88 -1.635912360e-01 -4.373377174e-01 -6.108908834e-01 5.90 -1.556281808e-01 -4.256639468e-01 -5.988929607e-01 5.92 -1.479787424e-01 -4.145127850e-01 -5.870523061e-01 5.94 -1.406725211e-01 -4.038424193e-01 -5.753566306e-01 5.96 -1.337328040e-01 -3.936090313e-01 -5.637926123e-01 5.98 -1.271748366e-01 -3.837680805e-01 -5.523457886e-01 6.00 -1.210026913e-01 -3.742752685e-01 -5.410004427e-01