# 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 = Hf3Ta # 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 4.061302586e+02 nan nan 1.14 3.760837402e+02 nan nan 1.16 3.483717301e+02 nan nan 1.18 3.227656444e+02 nan nan 1.20 2.990920066e+02 nan nan 1.22 2.772122963e+02 nan nan 1.24 2.569835169e+02 nan nan 1.26 2.382608244e+02 3.539767156e+02 nan 1.28 2.209180423e+02 3.299400127e+02 3.734310640e+02 1.30 2.048533863e+02 3.076206708e+02 3.487588056e+02 1.32 1.899743167e+02 2.868872563e+02 3.257859461e+02 1.34 1.761862422e+02 2.676056133e+02 3.043745934e+02 1.36 1.633944554e+02 2.496551824e+02 2.844069715e+02 1.38 1.515139046e+02 2.329292570e+02 2.657821373e+02 1.40 1.404732255e+02 2.173313854e+02 2.484122705e+02 1.42 1.302141507e+02 2.027767446e+02 2.322109540e+02 1.44 1.206826884e+02 1.891955591e+02 2.170917770e+02 1.46 1.118230017e+02 1.765295824e+02 2.029757256e+02 1.48 1.035783916e+02 1.647217756e+02 1.897918552e+02 1.50 9.589514149e+01 1.537065182e+02 1.774705970e+02 1.52 8.872795522e+01 1.434139273e+02 1.659416533e+02 1.54 8.204205125e+01 1.337828308e+02 1.551414337e+02 1.56 7.581370717e+01 1.247653019e+02 1.450154790e+02 1.58 7.001873902e+01 1.163204945e+02 1.355164073e+02 1.60 6.463069180e+01 1.084065743e+02 1.266007476e+02 1.62 5.962366962e+01 1.009828836e+02 1.182300421e+02 1.64 5.497104520e+01 9.401360227e+01 1.103734363e+02 1.66 5.064420866e+01 8.747002360e+01 1.030078313e+02 1.68 4.661472362e+01 8.132988667e+01 9.611037420e+01 1.70 4.285664255e+01 7.557805545e+01 8.965239588e+01 1.72 3.934877594e+01 7.019783181e+01 8.360019685e+01 1.74 3.607423402e+01 6.517006802e+01 7.792311471e+01 1.76 3.301821844e+01 6.047325957e+01 7.259725662e+01 1.78 3.016629158e+01 5.608554738e+01 6.760103651e+01 1.80 2.750366080e+01 5.198453318e+01 6.291427891e+01 1.82 2.501601235e+01 4.814877986e+01 5.851780506e+01 1.84 2.269121239e+01 4.456001139e+01 5.439082875e+01 1.86 2.052007658e+01 4.120274056e+01 5.051330534e+01 1.88 1.849517492e+01 3.806329660e+01 4.686731025e+01 1.90 1.660911851e+01 3.512821709e+01 4.343730763e+01 1.92 1.485363070e+01 3.238348973e+01 4.021062697e+01 1.94 1.321999797e+01 2.981436082e+01 3.717712580e+01 1.96 1.170017164e+01 2.740665736e+01 3.432870190e+01 1.98 1.028676313e+01 2.514801905e+01 3.165781377e+01 2.00 8.973300142e+00 2.302786104e+01 2.915574647e+01 2.02 7.753593652e+00 2.103689479e+01 2.681214287e+01 2.04 6.621876171e+00 1.916658683e+01 2.461656627e+01 2.06 5.572785036e+00 1.740924057e+01 2.255878359e+01 2.08 4.601122182e+00 1.575816011e+01 2.062911629e+01 2.10 3.701617770e+00 1.420736463e+01 1.881858187e+01 2.12 2.868337643e+00 1.275150585e+01 1.711916303e+01 2.14 2.095450942e+00 1.138535449e+01 1.552415244e+01 2.16 1.377208654e+00 1.010403666e+01 1.402736128e+01 2.18 7.086834772e-01 8.902584351e+00 1.262386468e+01 2.20 8.581329354e-02 7.776020420e+00 1.130859710e+01 2.22 -4.948111969e-01 6.719551036e+00 1.007614478e+01 2.24 -1.036215773e+00 5.729061595e+00 8.920815110e+00 2.26 -1.541191025e+00 4.801373458e+00 7.836794952e+00 2.28 -2.011967569e+00 3.934102246e+00 6.819004690e+00 2.30 -2.450279901e+00 3.125414855e+00 5.862966865e+00 2.32 -2.857046569e+00 2.372620021e+00 4.964835996e+00 2.34 -3.232663979e+00 1.671996668e+00 4.121345381e+00 2.36 -3.577664216e+00 1.019288515e+00 3.329481147e+00 2.38 -3.893318260e+00 4.102933493e-01 2.586719732e+00 2.40 -4.181838134e+00 -1.583827891e-01 1.890633126e+00 2.42 -4.446056181e+00 -6.894296163e-01 1.238765874e+00 2.44 -4.688891551e+00 -1.184939694e+00 6.285427694e-01 2.46 -4.912924077e+00 -1.646647974e+00 5.693799966e-02 2.48 -5.120191532e+00 -2.076162757e+00 -4.788306204e-01 2.50 -5.312105370e+00 -2.475164133e+00 -9.812949754e-01 2.52 -5.489885854e+00 -2.845553410e+00 -1.452327713e+00 2.54 -5.654165259e+00 -3.189522143e+00 -1.893170048e+00 2.56 -5.805555785e+00 -3.509509189e+00 -2.304784758e+00 2.58 -5.944535176e+00 -3.807971829e+00 -2.688154465e+00 2.60 -6.069884964e+00 -4.087475935e+00 -3.044781038e+00 2.62 -6.179813921e+00 -4.349916979e+00 -3.376066419e+00 2.64 -6.275375865e+00 -4.596674153e+00 -3.683607262e+00 2.66 -6.357649578e+00 -4.828407718e+00 -3.969001239e+00 2.68 -6.427590884e+00 -5.045183321e+00 -4.233804244e+00 2.70 -6.485956617e+00 -5.246802849e+00 -4.479493336e+00 2.72 -6.533223689e+00 -5.433180633e+00 -4.707424314e+00 2.74 -6.569758790e+00 -5.604483835e+00 -4.918773855e+00 2.76 -6.596096544e+00 -5.761435849e+00 -5.114596335e+00 2.78 -6.612709004e+00 -5.904756340e+00 -5.295723923e+00 2.80 -6.620606442e+00 -6.035352956e+00 -5.462878440e+00 2.82 -6.621103506e+00 -6.153810141e+00 -5.616696229e+00 2.84 -6.614866925e+00 -6.259596287e+00 -5.757782282e+00 2.86 -6.602189594e+00 -6.351918355e+00 -5.886769786e+00 2.88 -6.583632575e+00 -6.432050531e+00 -6.004379238e+00 2.90 -6.559591197e+00 -6.501222612e+00 -6.111425865e+00 2.92 -6.530538933e+00 -6.560489897e+00 -6.206616852e+00 2.94 -6.496926534e+00 -6.610689866e+00 -6.289858292e+00 2.96 -6.459153631e+00 -6.652421232e+00 -6.362632545e+00 2.98 -6.417542734e+00 -6.686118608e+00 -6.426608635e+00 3.00 -6.372323093e+00 -6.712063248e+00 -6.483160251e+00 3.02 -6.323629944e+00 -6.730773055e+00 -6.533225086e+00 3.04 -6.271518839e+00 -6.742635835e+00 -6.577185502e+00 3.06 -6.215988416e+00 -6.748039055e+00 -6.615077688e+00 3.08 -6.157003389e+00 -6.747805378e+00 -6.646739773e+00 3.10 -6.094512279e+00 -6.741895701e+00 -6.671921512e+00 3.12 -6.028458605e+00 -6.730293248e+00 -6.690400959e+00 3.14 -5.958787478e+00 -6.712903890e+00 -6.702592484e+00 3.16 -5.885450958e+00 -6.689636335e+00 -6.708749601e+00 3.18 -5.808415074e+00 -6.660409751e+00 -6.708917275e+00 3.20 -5.727670163e+00 -6.625165713e+00 -6.703096834e+00 3.22 -5.643243923e+00 -6.583883615e+00 -6.691438504e+00 3.24 -5.555213701e+00 -6.536596516e+00 -6.674193671e+00 3.26 -5.463713467e+00 -6.483403056e+00 -6.651700520e+00 3.28 -5.368933277e+00 -6.424472703e+00 -6.624364494e+00 3.30 -5.271048038e+00 -6.360044507e+00 -6.592627189e+00 3.32 -5.170409722e+00 -6.290425242e+00 -6.556925617e+00 3.34 -5.067207828e+00 -6.215964341e+00 -6.517651371e+00 3.36 -4.961694618e+00 -6.137197387e+00 -6.475120636e+00 3.38 -4.854061595e+00 -6.054667263e+00 -6.429561559e+00 3.40 -4.744727880e+00 -5.969083476e+00 -6.381118207e+00 3.42 -4.633994511e+00 -5.881273208e+00 -6.329865067e+00 3.44 -4.522339622e+00 -5.792133704e+00 -6.275831189e+00 3.46 -4.410297873e+00 -5.702552493e+00 -6.218876375e+00 3.48 -4.298700091e+00 -5.613314938e+00 -6.159219829e+00 3.50 -4.188245635e+00 -5.525027428e+00 -6.096659741e+00 3.52 -4.079695786e+00 -5.438076468e+00 -6.031120466e+00 3.54 -3.973723933e+00 -5.352629947e+00 -5.962507580e+00 3.56 -3.870855217e+00 -5.268671853e+00 -5.890707367e+00 3.58 -3.771443482e+00 -5.186054029e+00 -5.815587925e+00 3.60 -3.675688726e+00 -5.104549869e+00 -5.737003805e+00 3.62 -3.583676582e+00 -5.023899171e+00 -5.654806023e+00 3.64 -3.495418525e+00 -4.943839950e+00 -5.568859191e+00 3.66 -3.410877780e+00 -4.864126929e+00 -5.479066895e+00 3.68 -3.329978123e+00 -4.784538838e+00 -5.385405110e+00 3.70 -3.252604082e+00 -4.704878422e+00 -5.287961376e+00 3.72 -3.178599371e+00 -4.624968664e+00 -5.186974352e+00 3.74 -3.107770304e+00 -4.544650009e+00 -5.082864589e+00 3.76 -3.039894433e+00 -4.463781622e+00 -4.976246318e+00 3.78 -2.974732787e+00 -4.382249114e+00 -4.867911445e+00 3.80 -2.912042829e+00 -4.299976895e+00 -4.758782432e+00 3.82 -2.851589715e+00 -4.216940626e+00 -4.649839831e+00 3.84 -2.793154701e+00 -4.133175782e+00 -4.542038952e+00 3.86 -2.736486146e+00 -4.048716327e+00 -4.436147060e+00 3.88 -2.681529272e+00 -3.963851160e+00 -4.333050294e+00 3.90 -2.628066201e+00 -3.878704486e+00 -4.233156181e+00 3.92 -2.575969787e+00 -3.793521996e+00 -4.136798472e+00 3.94 -2.525133228e+00 -3.708590655e+00 -4.044150375e+00 3.96 -2.475467461e+00 -3.624237677e+00 -3.955255439e+00 3.98 -2.426898627e+00 -3.540827140e+00 -3.870060240e+00 4.00 -2.379365566e+00 -3.458750285e+00 -3.788444137e+00 4.02 -2.332817746e+00 -3.378426736e+00 -3.710243881e+00 4.04 -2.287213482e+00 -3.299994873e+00 -3.635272398e+00 4.06 -2.242518532e+00 -3.224263013e+00 -3.563332546e+00 4.08 -2.198704943e+00 -3.151245888e+00 -3.494227142e+00 4.10 -2.155750105e+00 -3.081122275e+00 -3.427765789e+00 4.12 -2.113472102e+00 -3.013976130e+00 -3.363769272e+00 4.14 -2.072216789e+00 -2.949802982e+00 -3.302071941e+00 4.16 -2.031769694e+00 -2.888524869e+00 -3.242522292e+00 4.18 -1.992122709e+00 -2.830009339e+00 -3.184981744e+00 4.20 -1.953268248e+00 -2.774088189e+00 -3.129321591e+00 4.22 -1.915197887e+00 -2.720572874e+00 -3.075418110e+00 4.24 -1.877900735e+00 -2.669265070e+00 -3.023146017e+00 4.26 -1.841361662e+00 -2.619962384e+00 -2.972370873e+00 4.28 -1.805513427e+00 -2.572460411e+00 -2.922941712e+00 4.30 -1.770428672e+00 -2.526553040e+00 -2.874685599e+00 4.32 -1.736015312e+00 -2.482033195e+00 -2.827406217e+00 4.34 -1.702232181e+00 -2.438696084e+00 -2.780888511e+00 4.36 -1.669034983e+00 -2.396345673e+00 -2.734909691e+00 4.38 -1.636380342e+00 -2.354803773e+00 -2.689255083e+00 4.40 -1.604230067e+00 -2.313919471e+00 -2.643735139e+00 4.42 -1.572554558e+00 -2.273576273e+00 -2.598199501e+00 4.44 -1.541334559e+00 -2.233694959e+00 -2.552554601e+00 4.46 -1.510561019e+00 -2.194231611e+00 -2.506494887e+00 4.48 -1.480233320e+00 -2.155171480e+00 -2.460524100e+00 4.50 -1.450356691e+00 -2.116520930e+00 -2.414388262e+00 4.52 -1.420939511e+00 -2.078299309e+00 -2.368145168e+00 4.54 -1.391990994e+00 -2.040532026e+00 -2.321876463e+00 4.56 -1.363519497e+00 -2.003245426e+00 -2.275683676e+00 4.58 -1.335531477e+00 -1.966463567e+00 -2.229685296e+00 4.60 -1.308030996e+00 -1.930206525e+00 -2.184013657e+00 4.62 -1.281019595e+00 -1.894489800e+00 -2.138810602e+00 4.64 -1.254496393e+00 -1.859324396e+00 -2.094221375e+00 4.66 -1.228458294e+00 -1.824717255e+00 -2.050386981e+00 4.68 -1.202900240e+00 -1.790671872e+00 -2.007435949e+00 4.70 -1.177815444e+00 -1.757188984e+00 -1.965476736e+00 4.72 -1.153195582e+00 -1.724139393e+00 -1.924592010e+00 4.74 -1.129030930e+00 -1.691797356e+00 -1.884835688e+00 4.76 -1.105310467e+00 -1.660004125e+00 -1.846232921e+00 4.78 -1.082021904e+00 -1.628754774e+00 -1.808782644e+00 4.80 -1.059151680e+00 -1.598043459e+00 -1.772461930e+00 4.82 -1.036684916e+00 -1.567863643e+00 -1.737231281e+00 4.84 -1.014605327e+00 -1.538208252e+00 -1.703039995e+00 4.86 -9.928951109e-01 -1.509069797e+00 -1.669831015e+00 4.88 -9.715348015e-01 -1.480440447e+00 -1.637544918e+00 4.90 -9.505031217e-01 -1.452312091e+00 -1.606122938e+00 4.92 -9.297768088e-01 -1.424676361e+00 -1.575509048e+00 4.94 -9.093304589e-01 -1.397524650e+00 -1.545651248e+00 4.96 -8.891363869e-01 -1.370848102e+00 -1.516502214e+00 4.98 -8.691645194e-01 -1.344637603e+00 -1.488019498e+00 5.00 -8.493823766e-01 -1.318883745e+00 -1.460165405e+00 5.02 -8.297551323e-01 -1.293576793e+00 -1.432906692e+00 5.04 -8.102458486e-01 -1.268706630e+00 -1.406214147e+00 5.06 -7.908158889e-01 -1.244262706e+00 -1.380062139e+00 5.08 -7.714256043e-01 -1.220233959e+00 -1.354428162e+00 5.10 -7.520353274e-01 -1.196608746e+00 -1.329292397e+00 5.12 -7.326067490e-01 -1.173374751e+00 -1.304637327e+00 5.14 -7.131047009e-01 -1.150518889e+00 -1.280447378e+00 5.16 -6.934993467e-01 -1.128027203e+00 -1.256708619e+00 5.18 -6.737687779e-01 -1.105884759e+00 -1.233408497e+00 5.20 -6.539017748e-01 -1.084075524e+00 -1.210535616e+00 5.22 -6.339007259e-01 -1.062582267e+00 -1.188079544e+00 5.24 -6.137841127e-01 -1.041386443e+00 -1.166030657e+00 5.26 -5.935884719e-01 -1.020468117e+00 -1.144380008e+00 5.28 -5.733691659e-01 -9.998058866e-01 -1.123119215e+00 5.30 -5.531996838e-01 -9.793768760e-01 -1.102240369e+00 5.32 -5.331692642e-01 -9.591567612e-01 -1.081735962e+00 5.34 -5.133786150e-01 -9.391198988e-01 -1.061598817e+00 5.36 -4.939342604e-01 -9.192395493e-01 -1.041822037e+00 5.38 -4.749417453e-01 -8.994882477e-01 -1.022398965e+00 5.40 -4.564987598e-01 -8.798383461e-01 -1.003323139e+00 5.42 -4.386886845e-01 -8.602627484e-01 -9.845882667e-01 5.44 -4.215756632e-01 -8.407358963e-01 -9.661921505e-01 5.46 -4.052012948e-01 -8.212349544e-01 -9.480547963e-01 5.48 -3.895835679e-01 -8.017412839e-01 -9.303158953e-01 5.50 -3.747175743e-01 -7.822420215e-01 -9.128923694e-01 5.52 -3.605778627e-01 -7.627318651e-01 -8.957786343e-01 5.54 -3.471218788e-01 -7.432147052e-01 -8.789690936e-01 5.56 -3.342939615e-01 -7.237051925e-01 -8.624581266e-01 5.58 -3.220295972e-01 -7.042297245e-01 -8.462400738e-01 5.60 -3.102594011e-01 -6.848269406e-01 -8.303092212e-01 5.62 -2.989128270e-01 -6.655472117e-01 -8.146597815e-01 5.64 -2.879213579e-01 -6.464512701e-01 -7.992858731e-01 5.66 -2.772213090e-01 -6.276077419e-01 -7.841814958e-01 5.68 -2.667561035e-01 -6.090898436e-01 -7.693405037e-01 5.70 -2.564782517e-01 -5.909714790e-01 -7.547565748e-01 5.72 -2.463508274e-01 -5.733230435e-01 -7.404231753e-01 5.74 -2.363486257e-01 -5.562075583e-01 -7.263335203e-01 5.76 -2.264588080e-01 -5.396772702e-01 -7.124805310e-01 5.78 -2.166809981e-01 -5.237713723e-01 -6.988567845e-01 5.80 -2.070268243e-01 -5.085146353e-01 -6.854544577e-01 5.82 -1.975186747e-01 -4.939173371e-01 -6.722652680e-01 5.84 -1.881879063e-01 -4.799759983e-01 -6.592804058e-01 5.86 -1.790723598e-01 -4.666749937e-01 -6.464904575e-01 5.88 -1.702134334e-01 -4.539885251e-01 -6.338853259e-01 5.90 -1.616530197e-01 -4.418828631e-01 -6.214541433e-01 5.92 -1.534301396e-01 -4.303185093e-01 -6.091851737e-01 5.94 -1.455787743e-01 -4.192521821e-01 -5.970657098e-01 5.96 -1.381257931e-01 -4.086385074e-01 -5.850819711e-01 5.98 -1.310890583e-01 -3.984313506e-01 -5.732189911e-01 6.00 -1.244737513e-01 -3.885848175e-01 -5.614604996e-01