# 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 = Hf3Ti # 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 2.781025601e+02 nan nan 1.14 2.579347653e+02 nan nan 1.16 2.393223340e+02 nan nan 1.18 2.221062612e+02 nan nan 1.20 2.061712296e+02 nan nan 1.22 1.914314232e+02 nan nan 1.24 1.777886176e+02 nan nan 1.26 1.651374559e+02 2.433207708e+02 nan 1.28 1.533925483e+02 2.271499070e+02 2.569203317e+02 1.30 1.424938256e+02 2.121154532e+02 2.403235888e+02 1.32 1.323877981e+02 1.981360886e+02 2.248402373e+02 1.34 1.230118089e+02 1.851211725e+02 2.103824184e+02 1.36 1.142968402e+02 1.729906316e+02 1.968758556e+02 1.38 1.061806830e+02 1.616719104e+02 1.842558323e+02 1.40 9.861242583e+01 1.510938190e+02 1.724655075e+02 1.42 9.155520524e+01 1.411933326e+02 1.614458916e+02 1.44 8.497985518e+01 1.319266195e+02 1.511390622e+02 1.46 7.885698787e+01 1.232651046e+02 1.414977133e+02 1.48 7.315302751e+01 1.151790233e+02 1.324838472e+02 1.50 6.783129648e+01 1.076242151e+02 1.240562366e+02 1.52 6.285995915e+01 1.005508429e+02 1.161659890e+02 1.54 5.821539563e+01 9.392049352e+01 1.087675300e+02 1.56 5.387848357e+01 8.770838319e+01 1.018223946e+02 1.58 4.983184715e+01 8.189275458e+01 9.529689295e+01 1.60 4.605727422e+01 7.644428098e+01 8.915829031e+01 1.62 4.253874763e+01 7.133002897e+01 8.337851675e+01 1.64 3.926181681e+01 6.652070958e+01 7.793982996e+01 1.66 3.620946069e+01 6.199558850e+01 7.283505675e+01 1.68 3.336178193e+01 5.774084691e+01 6.805576265e+01 1.70 3.069899619e+01 5.374640071e+01 6.358292497e+01 1.72 2.820614419e+01 5.000405608e+01 5.938889107e+01 1.74 2.587354486e+01 4.650348543e+01 5.544768614e+01 1.76 2.369382271e+01 4.323014561e+01 5.174117900e+01 1.78 2.165851455e+01 4.016726694e+01 4.825788511e+01 1.80 1.975679591e+01 3.729659828e+01 4.498681937e+01 1.82 1.797605104e+01 3.460135998e+01 4.191501760e+01 1.84 1.630459391e+01 3.206901636e+01 3.902563250e+01 1.86 1.473402872e+01 2.969028418e+01 3.630175728e+01 1.88 1.325914344e+01 2.745701751e+01 3.372917645e+01 1.90 1.187670473e+01 2.536002782e+01 3.129688599e+01 1.92 1.058337042e+01 2.338879642e+01 2.899748518e+01 1.94 9.374851291e+00 2.153190217e+01 2.682613046e+01 1.96 8.246214105e+00 1.977915820e+01 2.477987266e+01 1.98 7.192089940e+00 1.812306733e+01 2.285590084e+01 2.00 6.207486066e+00 1.655840885e+01 2.104948697e+01 2.02 5.287864578e+00 1.508113590e+01 1.935324077e+01 2.04 4.429327936e+00 1.368729730e+01 1.775921633e+01 2.06 3.628629659e+00 1.237309999e+01 1.625940045e+01 2.08 2.882821934e+00 1.113530865e+01 1.484649381e+01 2.10 2.188878608e+00 9.970997834e+00 1.351417648e+01 2.12 1.543001643e+00 8.877392381e+00 1.225722896e+01 2.14 9.412051424e-01 7.851145913e+00 1.107169164e+01 2.16 3.794556760e-01 6.888503687e+00 9.953641898e+00 2.18 -1.456480727e-01 5.985026491e+00 8.900413769e+00 2.20 -6.367058545e-01 5.136033080e+00 7.909022527e+00 2.22 -1.095730662e+00 4.337158470e+00 6.976252008e+00 2.24 -1.524547103e+00 3.585131862e+00 6.098788645e+00 2.26 -1.925091042e+00 2.878099416e+00 5.273230836e+00 2.28 -2.299101850e+00 2.215390448e+00 4.496655375e+00 2.30 -2.648012678e+00 1.597131235e+00 3.766241022e+00 2.32 -2.972490074e+00 1.022303635e+00 3.079270075e+00 2.34 -3.272492248e+00 4.883848230e-01 2.433298812e+00 2.36 -3.548032720e+00 -8.153899330e-03 1.826028431e+00 2.38 -3.799820566e+00 -4.710937587e-01 1.255777294e+00 2.40 -4.029510361e+00 -9.035249204e-01 7.209596936e-01 2.42 -4.239406968e+00 -1.307819867e+00 2.198506351e-01 2.44 -4.431964379e+00 -1.685675686e+00 -2.496042557e-01 2.46 -4.609394132e+00 -2.038330484e+00 -6.901204579e-01 2.48 -4.773463747e+00 -2.366802472e+00 -1.104270400e+00 2.50 -4.925369886e+00 -2.672133681e+00 -1.494310190e+00 2.52 -5.066121630e+00 -2.955610097e+00 -1.861641709e+00 2.54 -5.196112439e+00 -3.218891391e+00 -2.206844865e+00 2.56 -5.315666243e+00 -3.463992564e+00 -2.530157446e+00 2.58 -5.422853815e+00 -3.693034020e+00 -2.831893652e+00 2.60 -5.517093095e+00 -3.908349654e+00 -3.113058027e+00 2.62 -5.598795114e+00 -4.111605009e+00 -3.374590636e+00 2.64 -5.668658886e+00 -4.303981815e+00 -3.617692928e+00 2.66 -5.727658267e+00 -4.485938114e+00 -3.843589359e+00 2.68 -5.776664449e+00 -4.657316909e+00 -4.053493207e+00 2.70 -5.816325583e+00 -4.817671634e+00 -4.248592545e+00 2.72 -5.847191932e+00 -4.966649134e+00 -4.430020902e+00 2.74 -5.869656947e+00 -5.104143710e+00 -4.598783684e+00 2.76 -5.884191123e+00 -5.230616835e+00 -4.755771869e+00 2.78 -5.891453269e+00 -5.346543373e+00 -4.901613075e+00 2.80 -5.892565733e+00 -5.452097051e+00 -5.036759199e+00 2.82 -5.887787525e+00 -5.545914280e+00 -5.161521575e+00 2.84 -5.877759545e+00 -5.628798638e+00 -5.276159105e+00 2.86 -5.862762823e+00 -5.701473261e+00 -5.380974783e+00 2.88 -5.843329853e+00 -5.764882955e+00 -5.476135585e+00 2.90 -5.819829848e+00 -5.819901172e+00 -5.560050304e+00 2.92 -5.792694920e+00 -5.867186034e+00 -5.633212388e+00 2.94 -5.762329234e+00 -5.907148766e+00 -5.696910994e+00 2.96 -5.729087273e+00 -5.940112342e+00 -5.752194066e+00 2.98 -5.693254940e+00 -5.966345155e+00 -5.800387850e+00 3.00 -5.655040005e+00 -5.985990673e+00 -5.842530825e+00 3.02 -5.614576760e+00 -5.999460237e+00 -5.879245602e+00 3.04 -5.571942099e+00 -6.007322656e+00 -5.910867582e+00 3.06 -5.527174228e+00 -6.010034393e+00 -5.937482291e+00 3.08 -5.480285730e+00 -6.007841204e+00 -5.958999780e+00 3.10 -5.431269011e+00 -6.000735906e+00 -5.975238268e+00 3.12 -5.380097988e+00 -5.988778399e+00 -5.986359509e+00 3.14 -5.326731384e+00 -5.972000877e+00 -5.992658295e+00 3.16 -5.271120407e+00 -5.950482978e+00 -5.993988120e+00 3.18 -5.213220783e+00 -5.924362102e+00 -5.990426028e+00 3.20 -5.153007216e+00 -5.893828336e+00 -5.981976853e+00 3.22 -5.090487817e+00 -5.859103473e+00 -5.968790250e+00 3.24 -5.025715017e+00 -5.820412855e+00 -5.951108599e+00 3.26 -4.958789353e+00 -5.777962717e+00 -5.929252981e+00 3.28 -4.889855995e+00 -5.731930301e+00 -5.903602128e+00 3.30 -4.819034089e+00 -5.682468005e+00 -5.874559085e+00 3.32 -4.746603231e+00 -5.629719496e+00 -5.842508690e+00 3.34 -4.672675724e+00 -5.573816791e+00 -5.807776407e+00 3.36 -4.597412759e+00 -5.515042544e+00 -5.770600279e+00 3.38 -4.520913133e+00 -5.453666662e+00 -5.731123186e+00 3.40 -4.443430282e+00 -5.390116029e+00 -5.689405407e+00 3.42 -4.365094322e+00 -5.324934985e+00 -5.645451776e+00 3.44 -4.286138150e+00 -5.258748621e+00 -5.599251815e+00 3.46 -4.206796081e+00 -5.192195598e+00 -5.550681531e+00 3.48 -4.127544480e+00 -5.125849434e+00 -5.500019576e+00 3.50 -4.048722560e+00 -5.060152828e+00 -5.447216541e+00 3.52 -3.970740421e+00 -4.995383125e+00 -5.392406758e+00 3.54 -3.893958430e+00 -4.931653313e+00 -5.335749077e+00 3.56 -3.818642135e+00 -4.868941083e+00 -5.277393274e+00 3.58 -3.744945987e+00 -4.807131410e+00 -5.217446253e+00 3.60 -3.672929560e+00 -4.746060276e+00 -5.155950016e+00 3.62 -3.602593446e+00 -4.685550613e+00 -5.092878849e+00 3.64 -3.533914461e+00 -4.625437144e+00 -5.028156539e+00 3.66 -3.466867299e+00 -4.565579793e+00 -4.961689381e+00 3.68 -3.401429412e+00 -4.505866492e+00 -4.893408365e+00 3.70 -3.337576598e+00 -4.446207720e+00 -4.823313604e+00 3.72 -3.275275815e+00 -4.386524263e+00 -4.751514003e+00 3.74 -3.214480949e+00 -4.326733316e+00 -4.678254541e+00 3.76 -3.155132218e+00 -4.266736887e+00 -4.603923485e+00 3.78 -3.097158115e+00 -4.206418553e+00 -4.529034051e+00 3.80 -3.040477584e+00 -4.145650071e+00 -4.454180272e+00 3.82 -2.985001651e+00 -4.084305230e+00 -4.379974142e+00 3.84 -2.930633798e+00 -4.022276263e+00 -4.306977683e+00 3.86 -2.877220161e+00 -3.959431783e+00 -4.235563607e+00 3.88 -2.824765416e+00 -3.895854925e+00 -4.166223063e+00 3.90 -2.773100879e+00 -3.831485611e+00 -4.099014456e+00 3.92 -2.722131990e+00 -3.766382497e+00 -4.033961325e+00 3.94 -2.671782992e+00 -3.700660188e+00 -3.970979147e+00 3.96 -2.622003264e+00 -3.634494184e+00 -3.909910136e+00 3.98 -2.572769242e+00 -3.568121785e+00 -3.850556323e+00 4.00 -2.524081357e+00 -3.501835056e+00 -3.792706705e+00 4.02 -2.475958070e+00 -3.435980888e+00 -3.736157023e+00 4.04 -2.428428721e+00 -3.370690911e+00 -3.680722640e+00 4.06 -2.381527222e+00 -3.306698592e+00 -3.626245803e+00 4.08 -2.335287518e+00 -3.244070642e+00 -3.572598731e+00 4.10 -2.289740811e+00 -3.183029094e+00 -3.519683925e+00 4.12 -2.244758438e+00 -3.123723342e+00 -3.467432660e+00 4.14 -2.200705750e+00 -3.066231876e+00 -3.415802157e+00 4.16 -2.157408362e+00 -3.010572031e+00 -3.364771788e+00 4.18 -2.114881981e+00 -2.956713709e+00 -3.314338341e+00 4.20 -2.073137806e+00 -2.904593102e+00 -3.264510189e+00 4.22 -2.032182162e+00 -2.854123542e+00 -3.215300075e+00 4.24 -1.992015675e+00 -2.805202042e+00 -3.166716323e+00 4.26 -1.952632158e+00 -2.757711584e+00 -3.118752739e+00 4.28 -1.913985168e+00 -2.711520639e+00 -3.071378448e+00 4.30 -1.876122440e+00 -2.666481897e+00 -3.024529286e+00 4.32 -1.838972928e+00 -2.622432752e+00 -2.978103397e+00 4.34 -1.802498489e+00 -2.579199996e+00 -2.931964109e+00 4.36 -1.766657092e+00 -2.536609368e+00 -2.885951084e+00 4.38 -1.731407019e+00 -2.494498811e+00 -2.839898431e+00 4.40 -1.696711252e+00 -2.452732335e+00 -2.793655595e+00 4.42 -1.662540978e+00 -2.411210864e+00 -2.747105810e+00 4.44 -1.628877421e+00 -2.369877236e+00 -2.700185925e+00 4.46 -1.595711471e+00 -2.328714618e+00 -2.652657384e+00 4.48 -1.563043081e+00 -2.287739290e+00 -2.604984547e+00 4.50 -1.530877005e+00 -2.246990687e+00 -2.556984726e+00 4.52 -1.499221314e+00 -2.206521242e+00 -2.508745849e+00 4.54 -1.468084793e+00 -2.166387739e+00 -2.460376700e+00 4.56 -1.437475266e+00 -2.126645008e+00 -2.412002040e+00 4.58 -1.407398567e+00 -2.087342063e+00 -2.363759291e+00 4.60 -1.377858051e+00 -2.048520219e+00 -2.315795513e+00 4.62 -1.348854481e+00 -2.010212647e+00 -2.268263582e+00 4.64 -1.320386122e+00 -1.972444757e+00 -2.221316810e+00 4.66 -1.292448957e+00 -1.935235008e+00 -2.175102112e+00 4.68 -1.265036929e+00 -1.898595940e+00 -2.129752615e+00 4.70 -1.238142176e+00 -1.862535231e+00 -2.085380748e+00 4.72 -1.211755210e+00 -1.826933320e+00 -2.042073032e+00 4.74 -1.185865047e+00 -1.792058274e+00 -1.999887424e+00 4.76 -1.160459288e+00 -1.757759227e+00 -1.958853425e+00 4.78 -1.135524136e+00 -1.724032433e+00 -1.918974588e+00 4.80 -1.111044365e+00 -1.690872227e+00 -1.880232753e+00 4.82 -1.087003245e+00 -1.658271326e+00 -1.842593167e+00 4.84 -1.063382423e+00 -1.626221043e+00 -1.806009696e+00 4.86 -1.040161765e+00 -1.594711427e+00 -1.770429525e+00 4.88 -1.017319168e+00 -1.563731352e+00 -1.735797062e+00 4.90 -9.948303524e-01 -1.533268565e+00 -1.702056904e+00 4.92 -9.726686255e-01 -1.503309706e+00 -1.669155897e+00 4.94 -9.508046492e-01 -1.473840317e+00 -1.637044436e+00 4.96 -9.292062170e-01 -1.444844846e+00 -1.605677143e+00 4.98 -9.078380544e-01 -1.416306675e+00 -1.575013106e+00 5.00 -8.866616928e-01 -1.388208183e+00 -1.545015803e+00 5.02 -8.656354247e-01 -1.360530866e+00 -1.515652839e+00 5.04 -8.447144134e-01 -1.333255550e+00 -1.486895581e+00 5.06 -8.238509987e-01 -1.306362709e+00 -1.458718740e+00 5.08 -8.029952657e-01 -1.279832923e+00 -1.431099947e+00 5.10 -7.820959566e-01 -1.253647472e+00 -1.404019358e+00 5.12 -7.611017891e-01 -1.227789097e+00 -1.377459279e+00 5.14 -7.399632454e-01 -1.202242837e+00 -1.351403839e+00 5.16 -7.186348587e-01 -1.176996947e+00 -1.325838704e+00 5.18 -6.970780202e-01 -1.152043689e+00 -1.300750821e+00 5.20 -6.752641336e-01 -1.127379959e+00 -1.276128209e+00 5.22 -6.531781275e-01 -1.103007451e+00 -1.251959776e+00 5.24 -6.308217980e-01 -1.078932323e+00 -1.228235161e+00 5.26 -6.082169332e-01 -1.055164184e+00 -1.204944604e+00 5.28 -5.854074989e-01 -1.031714484e+00 -1.182078835e+00 5.30 -5.624606839e-01 -1.008594436e+00 -1.159628977e+00 5.32 -5.394663312e-01 -9.858127170e-01 -1.137586463e+00 5.34 -5.165345352e-01 -9.633733958e-01 -1.115942962e+00 5.36 -4.937915355e-01 -9.412742657e-01 -1.094690316e+00 5.38 -4.713738992e-01 -9.195060362e-01 -1.073820476e+00 5.40 -4.494218107e-01 -8.980523094e-01 -1.053325448e+00 5.42 -4.280715385e-01 -8.768905028e-01 -1.033197243e+00 5.44 -4.074483831e-01 -8.559934520e-01 -1.013431713e+00 5.46 -3.876600234e-01 -8.353315771e-01 -9.939479189e-01 5.48 -3.687914256e-01 -8.148753891e-01 -9.748808857e-01 5.50 -3.509013250e-01 -7.945980659e-01 -9.561461239e-01 5.52 -3.340205880e-01 -7.744780455e-01 -9.377350600e-01 5.54 -3.181526829e-01 -7.545012663e-01 -9.196387290e-01 5.56 -3.032757405e-01 -7.346631385e-01 -9.018477120e-01 5.58 -2.893462043e-01 -7.149697825e-01 -8.843520649e-01 5.60 -2.763033551e-01 -6.954386828e-01 -8.671412413e-01 5.62 -2.640743519e-01 -6.760983172e-01 -8.502040160e-01 5.64 -2.525793707e-01 -6.569869597e-01 -8.335284029e-01 5.66 -2.417363278e-01 -6.381504490e-01 -8.171015695e-01 5.68 -2.314650607e-01 -6.196392163e-01 -8.009097625e-01 5.70 -2.216908255e-01 -6.015047688e-01 -7.849382424e-01 5.72 -2.123469559e-01 -5.837959335e-01 -7.691712306e-01 5.74 -2.033768338e-01 -5.665553998e-01 -7.535918859e-01 5.76 -1.947350605e-01 -5.498167140e-01 -7.381823263e-01 5.78 -1.863879125e-01 -5.336022806e-01 -7.229236999e-01 5.80 -1.783131650e-01 -5.179222213e-01 -7.077963246e-01 5.82 -1.704991765e-01 -5.027744289e-01 -6.927799259e-01 5.84 -1.629435178e-01 -4.881454085e-01 -6.778539782e-01 5.86 -1.556510294e-01 -4.740119760e-01 -6.629981741e-01 5.88 -1.486315988e-01 -4.603433652e-01 -6.481930202e-01 5.90 -1.418978068e-01 -4.471036668e-01 -6.334205619e-01 5.92 -1.354625249e-01 -4.342542934e-01 -6.186652297e-01 5.94 -1.293366296e-01 -4.217563347e-01 -6.039147387e-01 5.96 -1.235281324e-01 -4.095726463e-01 -5.891609636e-01 5.98 -1.180405107e-01 -3.976695690e-01 -5.744007216e-01 6.00 -1.128704170e-01 -3.860182308e-01 -5.596363373e-01