# 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 = Hf3Zr # 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 3.104269496e+02 nan nan 1.14 2.881497358e+02 nan nan 1.16 2.675733401e+02 nan nan 1.18 2.485272209e+02 nan nan 1.20 2.308856261e+02 nan nan 1.22 2.145550923e+02 nan nan 1.24 1.994319422e+02 nan nan 1.26 1.854051297e+02 2.719478360e+02 nan 1.28 1.723830267e+02 2.540539600e+02 2.869729411e+02 1.30 1.602988422e+02 2.374240039e+02 2.686414080e+02 1.32 1.490909389e+02 2.219683955e+02 2.515292886e+02 1.34 1.386858540e+02 2.075789668e+02 2.355386650e+02 1.36 1.290037856e+02 1.941562790e+02 2.205881838e+02 1.38 1.199762825e+02 1.816149501e+02 2.066076728e+02 1.40 1.115520135e+02 1.698785734e+02 1.935364854e+02 1.42 1.036966912e+02 1.588829993e+02 1.813138832e+02 1.44 9.638106187e+01 1.485856088e+02 1.698812244e+02 1.46 8.957170618e+01 1.389598563e+02 1.591894026e+02 1.48 8.322947464e+01 1.299769395e+02 1.491971120e+02 1.50 7.731098542e+01 1.215903991e+02 1.398576005e+02 1.52 7.177661227e+01 1.137441283e+02 1.311130783e+02 1.54 6.659674706e+01 1.063913913e+02 1.229077252e+02 1.56 6.175105513e+01 9.949925558e+01 1.151947847e+02 1.58 5.722242996e+01 9.303919516e+01 1.079363941e+02 1.60 5.299288809e+01 8.697626540e+01 1.010986779e+02 1.62 4.904679945e+01 8.127355051e+01 9.465335028e+01 1.64 4.536966014e+01 7.589977186e+01 8.858250311e+01 1.66 4.194383812e+01 7.083439812e+01 8.287941170e+01 1.68 3.874792237e+01 6.606560115e+01 7.753621601e+01 1.70 3.575973662e+01 6.158618945e+01 7.253391177e+01 1.72 3.296144647e+01 5.738812543e+01 6.784378520e+01 1.74 3.034043810e+01 5.345897845e+01 6.343897961e+01 1.76 2.788681050e+01 4.978228070e+01 5.929949036e+01 1.78 2.559011518e+01 4.634025587e+01 5.541098967e+01 1.80 2.343816868e+01 4.311444625e+01 5.175996368e+01 1.82 2.141779954e+01 4.008776031e+01 4.833048145e+01 1.84 1.951784910e+01 3.724684201e+01 4.510190667e+01 1.86 1.773138029e+01 3.458117195e+01 4.205399108e+01 1.88 1.605468852e+01 3.208121601e+01 3.917039171e+01 1.90 1.448559624e+01 2.973596097e+01 3.643918451e+01 1.92 1.302090208e+01 2.753236969e+01 3.385309577e+01 1.94 1.165544517e+01 2.545592993e+01 3.140802129e+01 1.96 1.038238622e+01 2.349358196e+01 2.910189239e+01 1.98 9.193812791e+00 2.163587454e+01 2.693228277e+01 2.00 8.082163122e+00 1.987665153e+01 2.489403088e+01 2.02 7.041125750e+00 1.821168791e+01 2.297880563e+01 2.04 6.065940425e+00 1.663721674e+01 2.117798927e+01 2.06 5.153181443e+00 1.514970084e+01 1.948315961e+01 2.08 4.300006413e+00 1.374598794e+01 1.788658197e+01 2.10 3.503516541e+00 1.242291516e+01 1.638124237e+01 2.12 2.759987524e+00 1.117734304e+01 1.496110278e+01 2.14 2.065344672e+00 1.000563135e+01 1.362154962e+01 2.16 1.415440373e+00 8.904027361e+00 1.235801507e+01 2.18 8.066002377e-01 7.868198758e+00 1.116729702e+01 2.20 2.358438130e-01 6.893463666e+00 1.004554897e+01 2.22 -2.992280428e-01 5.975244684e+00 8.988455868e+00 2.24 -8.006657474e-01 5.109991040e+00 7.991633505e+00 2.26 -1.270377747e+00 4.295653787e+00 7.050869952e+00 2.28 -1.709834664e+00 3.531464042e+00 6.162953285e+00 2.30 -2.120159951e+00 2.817503318e+00 5.325209264e+00 2.32 -2.501967298e+00 2.152451006e+00 4.535337354e+00 2.34 -2.855310787e+00 1.533259275e+00 3.791317538e+00 2.36 -3.180520624e+00 9.558536443e-01 3.091000855e+00 2.38 -3.478564494e+00 4.160730488e-01 2.432622060e+00 2.40 -3.751302804e+00 -8.923874815e-02 1.814328635e+00 2.42 -4.001224303e+00 -5.623197128e-01 1.234100409e+00 2.44 -4.231045799e+00 -1.004661010e+00 6.896423477e-01 2.46 -4.443371667e+00 -1.417363158e+00 1.779730608e-01 2.48 -4.640439377e+00 -1.801469049e+00 -3.036882040e-01 2.50 -4.823877713e+00 -2.158236923e+00 -7.578313581e-01 2.52 -4.995002709e+00 -2.489335893e+00 -1.186055960e+00 2.54 -5.154376064e+00 -2.796923985e+00 -1.589078228e+00 2.56 -5.302456099e+00 -3.083567584e+00 -1.967233912e+00 2.58 -5.439486049e+00 -3.351908028e+00 -2.320929285e+00 2.60 -5.565801077e+00 -3.604774736e+00 -2.651365526e+00 2.62 -5.681662285e+00 -3.844146977e+00 -2.959658636e+00 2.64 -5.785497612e+00 -4.071402408e+00 -3.247237713e+00 2.66 -5.875848661e+00 -4.287061612e+00 -3.515551039e+00 2.68 -5.953526037e+00 -4.490928122e+00 -3.765996589e+00 2.70 -6.019271742e+00 -4.682461291e+00 -3.999870883e+00 2.72 -6.073767096e+00 -4.861208186e+00 -4.218315726e+00 2.74 -6.117566215e+00 -5.026973497e+00 -4.422248811e+00 2.76 -6.151223147e+00 -5.180219307e+00 -4.612440648e+00 2.78 -6.175173236e+00 -5.321414490e+00 -4.789405078e+00 2.80 -6.190029678e+00 -5.451297858e+00 -4.953552792e+00 2.82 -6.196485283e+00 -5.570682811e+00 -5.105235603e+00 2.84 -6.195631142e+00 -5.680401443e+00 -5.244821260e+00 2.86 -6.188973281e+00 -5.781147392e+00 -5.372769020e+00 2.88 -6.177535492e+00 -5.871501593e+00 -5.489700450e+00 2.90 -6.161861222e+00 -5.951352748e+00 -5.596449993e+00 2.92 -6.142583538e+00 -6.021688311e+00 -5.693903756e+00 2.94 -6.120245127e+00 -6.083337232e+00 -5.783648591e+00 2.96 -6.095252999e+00 -6.136990406e+00 -5.864828626e+00 2.98 -6.067862561e+00 -6.183222289e+00 -5.937005913e+00 3.00 -6.038187533e+00 -6.222309588e+00 -6.001579985e+00 3.02 -6.006227995e+00 -6.254759602e+00 -6.059582709e+00 3.04 -5.971907226e+00 -6.280728511e+00 -6.111617236e+00 3.06 -5.935108219e+00 -6.300356037e+00 -6.157895474e+00 3.08 -5.895703094e+00 -6.314135608e+00 -6.198250327e+00 3.10 -5.853572557e+00 -6.322148065e+00 -6.232369551e+00 3.12 -5.808616452e+00 -6.325067534e+00 -6.259977092e+00 3.14 -5.760758804e+00 -6.323049791e+00 -6.280924104e+00 3.16 -5.709951379e+00 -6.315982823e+00 -6.295187380e+00 3.18 -5.656179059e+00 -6.303767363e+00 -6.303045081e+00 3.20 -5.599468574e+00 -6.286322054e+00 -6.305290196e+00 3.22 -5.539899671e+00 -6.263595355e+00 -6.302270136e+00 3.24 -5.477614605e+00 -6.235578342e+00 -6.294242939e+00 3.26 -5.412819884e+00 -6.202314326e+00 -6.281574093e+00 3.28 -5.345776611e+00 -6.163901539e+00 -6.264713389e+00 3.30 -5.276721014e+00 -6.120489358e+00 -6.244157578e+00 3.32 -5.206018640e+00 -6.072274493e+00 -6.220399768e+00 3.34 -5.133836323e+00 -6.019473805e+00 -6.193877358e+00 3.36 -5.060331915e+00 -5.962488705e+00 -6.164932987e+00 3.38 -4.985494825e+00 -5.901717178e+00 -6.133797924e+00 3.40 -4.909536943e+00 -5.837748035e+00 -6.100597913e+00 3.42 -4.832397799e+00 -5.771325183e+00 -6.065373804e+00 3.44 -4.754156248e+00 -5.703311322e+00 -6.028114242e+00 3.46 -4.674906781e+00 -5.634607813e+00 -5.988625006e+00 3.48 -4.594992215e+00 -5.566051269e+00 -5.947114887e+00 3.50 -4.514646633e+00 -5.498319338e+00 -5.903339544e+00 3.52 -4.434188271e+00 -5.431873466e+00 -5.857205314e+00 3.54 -4.353908945e+00 -5.366949404e+00 -5.808608944e+00 3.56 -4.274041090e+00 -5.303588272e+00 -5.757435446e+00 3.58 -4.194755840e+00 -5.241689365e+00 -5.703556593e+00 3.60 -4.116189670e+00 -5.181066384e+00 -5.646832225e+00 3.62 -4.038481681e+00 -5.121493615e+00 -5.587116459e+00 3.64 -3.961799042e+00 -5.062736324e+00 -5.524270821e+00 3.66 -3.886338887e+00 -5.004565214e+00 -5.458185916e+00 3.68 -3.812307941e+00 -4.946757358e+00 -5.388812038e+00 3.70 -3.739893395e+00 -4.889089066e+00 -5.316196853e+00 3.72 -3.669237499e+00 -4.831325106e+00 -5.240525011e+00 3.74 -3.600425156e+00 -4.773211798e+00 -5.162150639e+00 3.76 -3.533484528e+00 -4.714478029e+00 -5.081611265e+00 3.78 -3.468396077e+00 -4.654847922e+00 -4.999612683e+00 3.80 -3.405102521e+00 -4.594062623e+00 -4.916980058e+00 3.82 -3.343515726e+00 -4.531904360e+00 -4.834580564e+00 3.84 -3.283518723e+00 -4.468216218e+00 -4.753233302e+00 3.86 -3.224907202e+00 -4.402845236e+00 -4.673533859e+00 3.88 -3.167643499e+00 -4.335921931e+00 -4.596191769e+00 3.90 -3.111470860e+00 -4.267417779e+00 -4.521390048e+00 3.92 -3.056210576e+00 -4.197455590e+00 -4.449238357e+00 3.94 -3.001705219e+00 -4.126228912e+00 -4.379692720e+00 3.96 -2.947833525e+00 -4.054006403e+00 -4.312602469e+00 3.98 -2.894517845e+00 -3.981133433e+00 -4.247756066e+00 4.00 -2.841722431e+00 -3.908025011e+00 -4.184919027e+00 4.02 -2.789445881e+00 -3.835167421e+00 -4.123861343e+00 4.04 -2.737710445e+00 -3.762785074e+00 -4.064374824e+00 4.06 -2.686551782e+00 -3.691843884e+00 -4.006282208e+00 4.08 -2.636010961e+00 -3.622486655e+00 -3.949440228e+00 4.10 -2.586128991e+00 -3.555039048e+00 -3.893738717e+00 4.12 -2.536792023e+00 -3.489724774e+00 -3.839097217e+00 4.14 -2.488366769e+00 -3.426665046e+00 -3.785460016e+00 4.16 -2.440693691e+00 -3.365890036e+00 -3.732790084e+00 4.18 -2.393797039e+00 -3.307357128e+00 -3.681061979e+00 4.20 -2.347695407e+00 -3.250970541e+00 -3.630253697e+00 4.22 -2.302401438e+00 -3.196598152e+00 -3.580337300e+00 4.24 -2.257921082e+00 -3.144083174e+00 -3.531268303e+00 4.26 -2.214252643e+00 -3.093250433e+00 -3.482974514e+00 4.28 -2.171323299e+00 -3.043908819e+00 -3.435346174e+00 4.30 -2.129250016e+00 -2.995852137e+00 -3.388229424e+00 4.32 -2.087927012e+00 -2.948861297e+00 -3.341426017e+00 4.34 -2.047318529e+00 -2.902710665e+00 -3.294702171e+00 4.36 -2.007384501e+00 -2.857179373e+00 -3.247806750e+00 4.38 -1.968084827e+00 -2.812066404e+00 -3.200496270e+00 4.40 -1.929383820e+00 -2.767205983e+00 -3.152561150e+00 4.42 -1.891253759e+00 -2.722479279e+00 -3.103846993e+00 4.44 -1.853677506e+00 -2.677819339e+00 -3.054276604e+00 4.46 -1.816628605e+00 -2.633208517e+00 -3.003561492e+00 4.48 -1.780144668e+00 -2.588669465e+00 -2.952292466e+00 4.50 -1.744210593e+00 -2.544253110e+00 -2.900257070e+00 4.52 -1.708834977e+00 -2.500026473e+00 -2.847580671e+00 4.54 -1.674027030e+00 -2.456062299e+00 -2.794414606e+00 4.56 -1.639794914e+00 -2.412431450e+00 -2.740929944e+00 4.58 -1.606144745e+00 -2.369198190e+00 -2.687313676e+00 4.60 -1.573080109e+00 -2.326417805e+00 -2.633765539e+00 4.62 -1.540601967e+00 -2.284135947e+00 -2.580493888e+00 4.64 -1.508708769e+00 -2.242388992e+00 -2.527709416e+00 4.66 -1.477396679e+00 -2.201204928e+00 -2.475616632e+00 4.68 -1.446659834e+00 -2.160604552e+00 -2.424404114e+00 4.70 -1.416490598e+00 -2.120602721e+00 -2.374234894e+00 4.72 -1.386879753e+00 -2.081062991e+00 -2.325238736e+00 4.74 -1.357816656e+00 -2.042309534e+00 -2.277507626e+00 4.76 -1.329289338e+00 -2.004168266e+00 -2.231095026e+00 4.78 -1.301284547e+00 -1.966640239e+00 -2.186018553e+00 4.80 -1.273787752e+00 -1.929724331e+00 -2.142265269e+00 4.82 -1.246783095e+00 -1.893417698e+00 -2.099798448e+00 4.84 -1.220253313e+00 -1.857716118e+00 -2.058564654e+00 4.86 -1.194179629e+00 -1.822614256e+00 -2.018500264e+00 4.88 -1.168541611e+00 -1.788105869e+00 -1.979536948e+00 4.90 -1.143317025e+00 -1.754183955e+00 -1.941605884e+00 4.92 -1.118481664e+00 -1.720840865e+00 -1.904640714e+00 4.94 -1.094009191e+00 -1.688068374e+00 -1.868579435e+00 4.96 -1.069870999e+00 -1.655857729e+00 -1.833365410e+00 4.98 -1.046036102e+00 -1.624199669e+00 -1.798947756e+00 5.00 -1.022471106e+00 -1.593084430e+00 -1.765281285e+00 5.02 -9.991402661e-01 -1.562501725e+00 -1.732326188e+00 5.04 -9.760057040e-01 -1.532440711e+00 -1.700047549e+00 5.06 -9.530278034e-01 -1.502889944e+00 -1.668414811e+00 5.08 -9.301658729e-01 -1.473837310e+00 -1.637401217e+00 5.10 -9.073791094e-01 -1.445269949e+00 -1.606983281e+00 5.12 -8.846279367e-01 -1.417174167e+00 -1.577140304e+00 5.14 -8.618757460e-01 -1.389535329e+00 -1.547853948e+00 5.16 -8.390910350e-01 -1.362337744e+00 -1.519107852e+00 5.18 -8.162499507e-01 -1.335564543e+00 -1.490887316e+00 5.20 -7.933389963e-01 -1.309197541e+00 -1.463179020e+00 5.22 -7.703578972e-01 -1.283217112e+00 -1.435970801e+00 5.24 -7.473220469e-01 -1.257602047e+00 -1.409251448e+00 5.26 -7.242644391e-01 -1.232329453e+00 -1.383010554e+00 5.28 -7.012364350e-01 -1.207374643e+00 -1.357238370e+00 5.30 -6.783070811e-01 -1.182711099e+00 -1.331925704e+00 5.32 -6.555607747e-01 -1.158310472e+00 -1.307063824e+00 5.34 -6.330930459e-01 -1.134142689e+00 -1.282644382e+00 5.36 -6.110049771e-01 -1.110176160e+00 -1.258659352e+00 5.38 -5.893964787e-01 -1.086378160e+00 -1.235100978e+00 5.40 -5.683594671e-01 -1.062715390e+00 -1.211961726e+00 5.42 -5.479714400e-01 -1.039154777e+00 -1.189234254e+00 5.44 -5.282905355e-01 -1.015664562e+00 -1.166916106e+00 5.46 -5.093521850e-01 -9.922156381e-01 -1.144912746e+00 5.48 -4.911679639e-01 -9.687832489e-01 -1.123389378e+00 5.50 -4.737262130e-01 -9.453488593e-01 -1.102247827e+00 5.52 -4.569942831e-01 -9.219023164e-01 -1.081481560e+00 5.54 -4.409219270e-01 -8.984439079e-01 -1.061084022e+00 5.56 -4.254452288e-01 -8.749864270e-01 -1.041048629e+00 5.58 -4.104908650e-01 -8.515566339e-01 -1.021368748e+00 5.60 -3.959801788e-01 -8.281962141e-01 -1.002037683e+00 5.62 -3.818330692e-01 -8.049615738e-01 -9.830486522e-01 5.64 -3.679714807e-01 -7.819226233e-01 -9.643947681e-01 5.66 -3.543226303e-01 -7.591601659e-01 -9.460690081e-01 5.68 -3.408218328e-01 -7.367621823e-01 -9.280641858e-01 5.70 -3.274151813e-01 -7.148191992e-01 -9.103729164e-01 5.72 -3.140618008e-01 -6.934191292e-01 -8.929875769e-01 5.74 -3.007358943e-01 -6.726423066e-01 -8.759002619e-01 5.76 -2.874282333e-01 -6.525569583e-01 -8.591027348e-01 5.78 -2.741470327e-01 -6.332159577e-01 -8.425863708e-01 5.80 -2.609180617e-01 -6.146546870e-01 -8.263420925e-01 5.82 -2.477835674e-01 -5.968905567e-01 -8.103603020e-01 5.84 -2.348003068e-01 -5.799236072e-01 -7.946308030e-01 5.86 -2.220362682e-01 -5.637383202e-01 -7.791427112e-01 5.88 -2.095665434e-01 -5.483059767e-01 -7.638843615e-01 5.90 -1.974685522e-01 -5.335874475e-01 -7.488432062e-01 5.92 -1.858170034e-01 -5.195359391e-01 -7.340056988e-01 5.94 -1.746792772e-01 -5.060995592e-01 -7.193571720e-01 5.96 -1.641113982e-01 -4.932235229e-01 -7.048817147e-01 5.98 -1.541550339e-01 -4.808519038e-01 -6.905620349e-01 6.00 -1.448338621e-01 -4.689289705e-01 -6.763793150e-01