# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Ti # 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 2025-07-01 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 4.752687283e+02 nan nan nan nan 0.80 nan nan nan nan nan 4.351852885e+02 nan nan nan nan 0.82 nan nan nan nan nan 3.989490138e+02 nan nan 4.437743166e+02 nan 0.84 nan nan nan nan nan 3.661378201e+02 nan nan 4.065129308e+02 nan 0.86 nan nan nan nan nan 3.363824739e+02 nan nan 3.728071023e+02 nan 0.88 nan nan nan nan nan 3.093590983e+02 nan nan 3.420515062e+02 nan 0.90 nan 6.084692608e+02 nan nan nan 2.847828680e+02 nan nan 3.135687102e+02 4.337393332e+02 0.92 nan 5.574261249e+02 nan nan nan 2.624026863e+02 4.893599457e+02 nan 2.873206022e+02 4.000741869e+02 0.94 nan 5.105936968e+02 nan nan nan 2.419966658e+02 4.492149101e+02 nan 2.632377651e+02 3.693714401e+02 0.96 nan 4.676578640e+02 nan nan nan 2.233682911e+02 4.126039731e+02 nan 2.412136463e+02 3.413362891e+02 0.98 nan 4.275664421e+02 6.143160270e+02 nan nan 2.063431445e+02 3.792526920e+02 nan 2.211197913e+02 3.157070773e+02 1.00 nan 3.902903530e+02 5.662440626e+02 nan 5.977575219e+02 1.907661019e+02 3.488889344e+02 5.544631946e+02 2.028167658e+02 2.922510886e+02 1.02 5.546125640e+02 3.559068612e+02 5.220761745e+02 5.545728025e+02 5.545330409e+02 1.764989301e+02 3.211124768e+02 5.140610243e+02 1.861618452e+02 2.707609440e+02 1.04 5.149538067e+02 3.243851141e+02 4.815740222e+02 5.149141211e+02 5.148744354e+02 1.634182175e+02 2.955227641e+02 4.768953477e+02 1.710142914e+02 2.510514969e+02 1.06 4.785300228e+02 2.956218561e+02 4.444839516e+02 4.784904147e+02 4.784508066e+02 1.514137109e+02 2.720086622e+02 4.417096443e+02 1.572389348e+02 2.329573390e+02 1.08 4.443705276e+02 2.693835633e+02 4.100986729e+02 4.443309987e+02 4.442914698e+02 1.401618943e+02 2.502212688e+02 4.082119754e+02 1.445396971e+02 2.159931681e+02 1.10 4.112898994e+02 2.453794376e+02 3.775513122e+02 4.112504514e+02 4.112110034e+02 1.292676723e+02 2.297207239e+02 3.762369175e+02 1.325680880e+02 1.995663130e+02 1.12 3.796619292e+02 2.234975348e+02 3.470057959e+02 3.796225638e+02 3.795831984e+02 1.188556861e+02 2.105750962e+02 3.460427498e+02 1.213681191e+02 1.838637080e+02 1.14 3.497514150e+02 2.036064673e+02 3.185502349e+02 3.497121340e+02 3.496728529e+02 1.090142451e+02 1.928098098e+02 3.177802868e+02 1.109600933e+02 1.690177902e+02 1.16 3.217074492e+02 1.855616546e+02 2.921962847e+02 3.216682542e+02 3.216290591e+02 9.979308984e+01 1.764093230e+02 2.915099940e+02 1.013393502e+02 1.551031431e+02 1.18 2.955930304e+02 1.692137703e+02 2.679014565e+02 2.955539231e+02 2.955148159e+02 9.121326189e+01 1.613297275e+02 2.672268385e+02 9.248380233e+01 1.421513027e+02 1.20 2.714082612e+02 1.544146468e+02 2.455862140e+02 2.713692434e+02 2.713302257e+02 8.327483701e+01 1.475083177e+02 2.448795350e+02 8.435967104e+01 1.301623565e+02 1.22 2.491084170e+02 1.410212677e+02 2.251469622e+02 2.490694905e+02 2.490305641e+02 7.596294789e+01 1.348707903e+02 2.243853435e+02 7.692581249e+01 1.191139774e+02 1.24 2.286179086e+02 1.288983313e+02 2.064658018e+02 2.285790753e+02 2.285402419e+02 6.925243838e+01 1.233365901e+02 2.056413439e+02 7.013694004e+01 1.089684057e+02 1.26 2.098409978e+02 1.179197617e+02 1.894177676e+02 2.098022593e+02 2.097635208e+02 6.311143524e+01 1.128228246e+02 1.885329337e+02 6.394599429e+01 9.967780621e+01 1.28 1.926699270e+02 1.079694568e+02 1.738761039e+02 1.926312852e+02 1.925926435e+02 5.750405836e+01 1.032470689e+02 1.729401426e+02 5.830585121e+01 9.118833374e+01 1.30 1.769910100e+02 9.894149067e+01 1.597160196e+02 1.769524668e+02 1.769139236e+02 5.239245066e+01 9.452931971e+01 1.587422390e+02 5.317052251e+01 8.344317799e+01 1.32 1.626891202e+02 9.073993941e+01 1.468172806e+02 1.626506774e+02 1.626122345e+02 4.773827435e+01 8.659330394e+01 1.458210117e+02 4.849596903e+01 7.638480788e+01 1.34 1.496509226e+02 8.327845508e+01 1.350659117e+02 1.496125820e+02 1.495742415e+02 4.350378829e+01 7.936729658e+01 1.340630254e+02 4.424062075e+01 6.995658764e+01 1.36 1.377671335e+02 7.647968199e+01 1.243552288e+02 1.377288971e+02 1.376906606e+02 3.965260114e+01 7.278457634e+01 1.233610937e+02 4.036567818e+01 6.410390644e+01 1.38 1.269340268e+02 7.027458296e+01 1.145863730e+02 1.268958964e+02 1.268577660e+02 3.615017355e+01 6.678361268e+01 1.136151575e+02 3.683525164e+01 5.877493178e+01 1.40 1.170543679e+02 6.460172653e+01 1.056684788e+02 1.170163455e+02 1.169783230e+02 3.296412940e+01 6.130806108e+01 1.047327215e+02 3.361638391e+01 5.392107628e+01 1.42 1.080379155e+02 5.940656961e+01 9.751858222e+01 1.080000029e+02 1.079620903e+02 3.006442310e+01 5.630662341e+01 9.662896312e+01 3.067899011e+01 4.949724871e+01 1.44 9.980160057e+01 5.464075967e+01 9.006134644e+01 9.976379979e+01 9.972599901e+01 2.742339930e+01 5.173281699e+01 8.922660945e+01 2.799574093e+01 4.546194343e+01 1.46 9.226947371e+01 5.026147281e+01 8.322866809e+01 9.223178670e+01 9.219409970e+01 2.501577523e+01 4.754468670e+01 8.245565148e+01 2.554190959e+01 4.177721406e+01 1.48 8.537248617e+01 4.623079681e+01 7.695920934e+01 8.533491492e+01 8.529734367e+01 2.281856784e+01 4.370448422e+01 7.625295100e+01 2.329519723e+01 3.840856406e+01 1.50 7.904815803e+01 4.251516470e+01 7.119789003e+01 7.901070454e+01 7.897325104e+01 2.081098309e+01 4.017833273e+01 7.056178131e+01 2.123554749e+01 3.532478077e+01 1.52 7.324017634e+01 3.908484064e+01 6.589536692e+01 7.320284261e+01 7.316550887e+01 1.897428207e+01 3.693589116e+01 6.533133438e+01 1.934495910e+01 3.249773451e+01 1.54 6.789795089e+01 3.591345765e+01 6.100751627e+01 6.786073894e+01 6.782352700e+01 1.729163287e+01 3.395002630e+01 6.051621646e+01 1.760730127e+01 2.990215650e+01 1.56 6.297615288e+01 3.297760529e+01 5.649493362e+01 6.293906477e+01 6.290197666e+01 1.574795686e+01 3.119649967e+01 5.607594923e+01 1.600813652e+01 2.751540818e+01 1.58 5.843425361e+01 3.025646455e+01 5.232245970e+01 5.839729140e+01 5.836032918e+01 1.432977486e+01 2.865367346e+01 5.197448854e+01 1.453455326e+01 2.531725055e+01 1.60 5.423607332e+01 2.773148590e+01 4.845873631e+01 5.419923908e+01 5.416240485e+01 1.302505679e+01 2.630223698e+01 4.817976806e+01 1.317500944e+01 2.328961862e+01 1.62 5.034935085e+01 2.538610739e+01 4.487579660e+01 5.031264669e+01 5.027594253e+01 1.182307820e+01 2.412495573e+01 4.466327355e+01 1.191918851e+01 2.141640626e+01 1.64 4.674533868e+01 2.320550830e+01 4.154869027e+01 4.670876671e+01 4.667219474e+01 1.071428528e+01 2.210644260e+01 4.139964976e+01 1.075786755e+01 1.968326370e+01 1.66 4.339842587e+01 2.117639481e+01 3.845514297e+01 4.336198823e+01 4.332555058e+01 9.690169185e+00 2.023295077e+01 3.836634118e+01 9.682797487e+00 1.807740902e+01 1.68 4.028579223e+01 1.928681410e+01 3.557524997e+01 4.024949106e+01 4.021318989e+01 8.743150723e+00 1.849218766e+01 3.554326678e+01 8.686595113e+00 1.658745524e+01 1.70 3.738709257e+01 1.752599322e+01 3.289120155e+01 3.735093004e+01 3.731476752e+01 7.866475111e+00 1.687314845e+01 3.291252741e+01 7.762646046e+00 1.520325247e+01 1.72 3.468417106e+01 1.588419986e+01 3.038703818e+01 3.464814936e+01 3.461212766e+01 7.054116748e+00 1.536596769e+01 3.045814423e+01 6.905017989e+00 1.391574507e+01 1.74 3.216080495e+01 1.435262203e+01 2.804843379e+01 3.212492628e+01 3.208904762e+01 6.300693781e+00 1.396178790e+01 2.816582638e+01 6.108383615e+00 1.271684354e+01 1.76 2.980247523e+01 1.292326413e+01 2.586250388e+01 2.976674183e+01 2.973100842e+01 5.601391637e+00 1.265264315e+01 2.602276536e+01 5.367952013e+00 1.159930985e+01 1.78 2.759616294e+01 1.158885715e+01 2.381763671e+01 2.756057704e+01 2.752499114e+01 4.951895109e+00 1.143135656e+01 2.401745427e+01 4.679408070e+00 1.055665560e+01 1.80 2.553016915e+01 1.034278101e+01 2.190334525e+01 2.549473300e+01 2.545929686e+01 4.348328343e+00 1.029145010e+01 2.213952911e+01 4.038858989e+00 9.583052000e+00 1.82 2.359395603e+01 9.178997224e+00 2.011013724e+01 2.355867193e+01 2.352338782e+01 3.787201841e+00 9.227065294e+00 2.037963016e+01 3.442787076e+00 8.673250464e+00 1.84 2.177800765e+01 8.091990470e+00 1.842940178e+01 2.174287789e+01 2.170774813e+01 3.265366033e+00 8.232893839e+00 1.872928127e+01 2.888008240e+00 7.822512965e+00 1.86 2.007370812e+01 7.076717637e+00 1.685331039e+01 2.003873502e+01 2.000376191e+01 2.779970641e+00 7.304115461e+00 1.718078496e+01 2.371635505e+00 7.026551132e+00 1.88 1.847323516e+01 6.128563249e+00 1.537473059e+01 1.843842105e+01 1.840360694e+01 2.328429174e+00 6.436329354e+00 1.572713144e+01 1.891046846e+00 6.281473039e+00 1.90 1.696946765e+01 5.243297764e+00 1.398715075e+01 1.693481489e+01 1.690016213e+01 1.908388095e+00 5.625492568e+00 1.436191994e+01 1.443852442e+00 5.583736992e+00 1.92 1.555590526e+01 4.417019495e+00 1.268461457e+01 1.552141623e+01 1.548692719e+01 1.517700002e+00 4.867881100e+00 1.307929068e+01 1.027855567e+00 4.930111349e+00 1.94 1.422659876e+01 3.646106061e+00 1.146166393e+01 1.419227585e+01 1.415795294e+01 1.154400358e+00 4.160057712e+00 1.187386609e+01 6.410276915e-01 4.317639670e+00 1.96 1.297608974e+01 2.927190515e+00 1.031328907e+01 1.294193536e+01 1.290778099e+01 8.166873799e-01 3.498843930e+00 1.074070013e+01 2.814918385e-01 3.743610594e+00 1.98 1.179935833e+01 2.257141719e+00 9.234885094e+00 1.176537493e+01 1.173139153e+01 5.029045835e-01 2.881295619e+00 9.675234413e+00 -5.249189829e-02 3.205531712e+00 2.00 1.069177806e+01 1.633046802e+00 8.222213700e+00 1.065796809e+01 1.062415811e+01 2.115256870e-01 2.304681650e+00 8.673260329e+00 -3.625390060e-01 2.701106983e+00 2.02 9.649076740e+00 1.052195402e+00 7.271364391e+00 9.615442670e+00 9.581808600e+00 -5.885844624e-02 1.766465281e+00 7.730886226e+00 -6.501516060e-01 2.228217198e+00 2.04 8.667302541e+00 5.120654151e-01 6.378702784e+00 8.633846872e+00 8.600391203e+00 -3.095511612e-01 1.264287769e+00 6.844508875e+00 -9.167281705e-01 1.784903015e+00 2.06 7.742794566e+00 1.031002426e-02 5.540837203e+00 7.709519815e+00 7.676245063e+00 -5.417598528e-01 7.959539942e-01 6.010788628e+00 -1.163572044e+00 1.369350255e+00 2.08 6.872157249e+00 -4.552561765e-01 4.754599089e+00 6.839065954e+00 6.805974658e+00 -7.566045382e-01 3.594197331e-01 5.226627688e+00 -1.391898960e+00 9.798771093e-01 2.10 6.052237956e+00 -8.866850008e-01 4.017025959e+00 6.019332675e+00 5.986427394e+00 -9.551253634e-01 -4.721963854e-02 4.489151002e+00 -1.602843699e+00 6.149229383e-01 2.12 5.280107399e+00 -1.285916764e+00 3.325346322e+00 5.247390713e+00 5.214674026e+00 -1.138289170e+00 -4.257392145e-01 3.795689375e+00 -1.797466000e+00 2.730384910e-01 2.14 4.553042366e+00 -1.654787371e+00 2.676966240e+00 4.520516875e+00 4.487991384e+00 -1.306995291e+00 -7.777935987e-01 3.143764452e+00 -1.976755837e+00 -4.712272890e-02 2.16 3.868510409e+00 -1.995033904e+00 2.069457268e+00 3.836178737e+00 3.803847064e+00 -1.462080699e+00 -1.104925069e+00 2.531075270e+00 -2.141638166e+00 -3.468121112e-01 2.18 3.224156257e+00 -2.308299839e+00 1.500545631e+00 3.192021048e+00 3.159885838e+00 -1.604324568e+00 -1.408571005e+00 1.955486156e+00 -2.292977197e+00 -6.271927308e-01 2.20 2.617789586e+00 -2.596139923e+00 9.681023842e-01 2.585853505e+00 2.553917425e+00 -1.734452397e+00 -1.690072574e+00 1.415015709e+00 -2.431580280e+00 -8.893454552e-01 2.22 2.047373996e+00 -2.860024763e+00 4.701344546e-01 2.015639733e+00 1.983905470e+00 -1.853139713e+00 -1.950686272e+00 9.078267374e-01 -2.558201451e+00 -1.134274451e+00 2.24 1.511017019e+00 -3.101345129e+00 4.776430728e-03 1.479487283e+00 1.447957547e+00 -1.961015449e+00 -2.191590684e+00 4.322169571e-01 -2.673544691e+00 -1.362912177e+00 2.26 1.006960919e+00 -3.321416028e+00 -4.297170353e-01 9.756384436e-01 9.443159679e-01 -2.058665036e+00 -2.413891006e+00 -1.339443493e-02 -2.778266939e+00 -1.576123977e+00 2.28 5.335742537e-01 -3.521480549e+00 -8.349782687e-01 5.024617933e-01 4.713493330e-01 -2.146633254e+00 -2.618623228e+00 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