# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Ko-W-S-Yoon-E-Y-Jeon-J-B-Lee-Y--Au-Ti # implementation = 2022--Ko-W-S--Au-Ti--LAMMPS--ipr1 # composition = Au # 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 2026-08-31 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 2.739961593e+03 nan nan nan nan 0.74 nan nan nan nan nan 2.542572342e+03 nan nan nan nan 0.76 nan nan nan nan nan 2.359479347e+03 nan nan 2.902650593e+03 nan 0.78 nan nan nan nan nan 2.189616739e+03 nan nan 2.676435249e+03 nan 0.80 nan nan nan nan nan 2.032001887e+03 nan nan 2.467692682e+03 nan 0.82 nan nan nan nan nan 1.885728535e+03 nan nan 2.275072856e+03 nan 0.84 nan 3.576506991e+03 nan nan nan 1.749960546e+03 3.153173208e+03 nan 2.097330578e+03 2.844665481e+03 0.86 nan 3.300304106e+03 nan nan nan 1.623926175e+03 2.917863906e+03 nan 1.933317305e+03 2.638873547e+03 0.88 nan 3.044705627e+03 nan nan nan 1.506912840e+03 2.699717689e+03 nan 1.781973579e+03 2.447679438e+03 0.90 nan 2.808218977e+03 nan nan nan 1.398262335e+03 2.497500624e+03 nan 1.642322077e+03 2.270055853e+03 0.92 nan 2.589456864e+03 3.402183395e+03 nan nan 1.297366453e+03 2.310066665e+03 3.522089426e+03 1.513461193e+03 2.105047769e+03 0.94 3.501563120e+03 2.387130037e+03 3.159790622e+03 3.501923741e+03 3.502284407e+03 1.203662980e+03 2.136351429e+03 3.275855267e+03 1.394559132e+03 1.951767329e+03 0.96 3.261392335e+03 2.200040527e+03 2.934061367e+03 3.261736160e+03 3.262080026e+03 1.116632031e+03 1.975366416e+03 3.046184852e+03 1.284848466e+03 1.809389104e+03 0.98 3.037065623e+03 2.027075340e+03 2.723883703e+03 3.037393644e+03 3.037721703e+03 1.035792687e+03 1.826193631e+03 2.831999259e+03 1.183621118e+03 1.677145678e+03 1.00 2.827571228e+03 1.867200585e+03 2.528217953e+03 2.827884360e+03 2.828197528e+03 9.606999211e+02 1.687980589e+03 2.632287896e+03 1.090223741e+03 1.554323554e+03 1.02 2.631960183e+03 1.719455982e+03 2.346092115e+03 2.632259275e+03 2.632558400e+03 8.909417775e+02 1.559935672e+03 2.446104274e+03 1.004053456e+03 1.440259355e+03 1.04 2.449342518e+03 1.582949764e+03 2.176597556e+03 2.449628354e+03 2.449914222e+03 8.261367870e+02 1.441323812e+03 2.272562045e+03 9.245539288e+02 1.334336287e+03 1.06 2.278883677e+03 1.456853904e+03 2.018884988e+03 2.279156985e+03 2.279430323e+03 7.659315944e+02 1.331462480e+03 2.110831273e+03 8.512117541e+02 1.235980857e+03 1.08 2.119801159e+03 1.340399678e+03 1.872160683e+03 2.120062615e+03 2.120324097e+03 7.099987825e+02 1.229717957e+03 1.960134935e+03 7.835531179e+02 1.144659823e+03 1.10 1.971361352e+03 1.232873525e+03 1.735682928e+03 1.971611582e+03 1.971861837e+03 6.580348746e+02 1.135501872e+03 1.819745636e+03 7.211407268e+02 1.059877362e+03 1.12 1.832876558e+03 1.133613195e+03 1.608758702e+03 1.833116145e+03 1.833355754e+03 6.097584993e+02 1.048267978e+03 1.688982517e+03 6.635709751e+02 9.811724371e+02 1.14 1.703702191e+03 1.042004149e+03 1.490740558e+03 1.703931677e+03 1.704161185e+03 5.649087047e+02 9.675091612e+02 1.567208357e+03 6.104713336e+02 9.081163490e+02 1.16 1.583234150e+03 9.574762166e+02 1.381023701e+03 1.583454042e+03 1.583673953e+03 5.232434088e+02 8.927546621e+02 1.453826850e+03 5.614979429e+02 8.403104659e+02 1.18 1.470906340e+03 8.795004743e+02 1.279043250e+03 1.471117109e+03 1.471327896e+03 4.845379742e+02 8.235674881e+02 1.348280045e+03 5.163333940e+02 7.773841101e+02 1.20 1.366188346e+03 8.075863429e+02 1.184271672e+03 1.366390433e+03 1.366592536e+03 4.485838971e+02 7.595420136e+02 1.250045948e+03 4.746846832e+02 7.189925949e+02 1.22 1.268583245e+03 7.412788804e+02 1.096216371e+03 1.268777061e+03 1.268970893e+03 4.151876004e+02 7.003017479e+02 1.158636266e+03 4.362813252e+02 6.648154011e+02 1.24 1.177625547e+03 6.801562649e+02 1.014417442e+03 1.177811480e+03 1.177997427e+03 3.841693223e+02 6.454972619e+02 1.073594288e+03 4.008736139e+02 6.145544812e+02 1.26 1.092879266e+03 6.238274472e+02 9.384455491e+02 1.093057676e+03 1.093236101e+03 3.553620923e+02 5.948042606e+02 9.944929048e+02 3.682310190e+02 5.679326838e+02 1.28 1.013936095e+03 5.719299693e+02 8.678999538e+02 1.014107324e+03 1.014278566e+03 3.286107882e+02 5.479217927e+02 9.209327364e+02 3.381407065e+02 5.246922890e+02 1.30 9.404137041e+02 5.241279302e+02 8.024066566e+02 9.405780712e+02 9.407424504e+02 3.037712651e+02 5.045705874e+02 8.525403873e+02 3.104061749e+02 4.845936471e+02 1.32 8.719541329e+02 4.801100957e+02 7.416166614e+02 8.721119392e+02 8.722697566e+02 2.807095531e+02 4.644915080e+02 7.889668019e+02 2.848459969e+02 4.474139131e+02 1.34 8.082222801e+02 4.395881369e+02 6.852043487e+02 8.083738093e+02 8.085253489e+02 2.593011167e+02 4.274441159e+02 7.298857235e+02 2.612926592e+02 4.129458701e+02 1.36 7.489044874e+02 4.022949930e+02 6.328659525e+02 7.490500073e+02 7.491955368e+02 2.394301703e+02 3.932053357e+02 6.749922488e+02 2.395914920e+02 3.809968360e+02 1.38 6.937072067e+02 3.679833471e+02 5.843181328e+02 6.938469704e+02 6.939867432e+02 2.209890463e+02 3.615682161e+02 6.240014707e+02 2.195996817e+02 3.513876463e+02 1.40 6.423557493e+02 3.364242089e+02 5.392966402e+02 6.424899964e+02 6.426242519e+02 2.038776119e+02 3.323407769e+02 5.766472056e+02 2.011853597e+02 3.239517092e+02 1.42 5.945931100e+02 3.074055960e+02 4.975550656e+02 5.947220673e+02 5.948510325e+02 1.880027281e+02 3.053449398e+02 5.326808001e+02 1.842267622e+02 2.985341261e+02 1.44 5.501788628e+02 2.807313081e+02 4.588636689e+02 5.503027457e+02 5.504266358e+02 1.732777515e+02 2.804155334e+02 4.918700108e+02 1.686114545e+02 2.749908750e+02 1.46 5.088881244e+02 2.562197866e+02 4.230082834e+02 5.090071370e+02 5.091261565e+02 1.596220713e+02 2.573993697e+02 4.539979543e+02 1.542356155e+02 2.531880496e+02 1.48 4.705105793e+02 2.337030548e+02 3.897892900e+02 4.706249162e+02 4.707392593e+02 1.469606823e+02 2.361543862e+02 4.188621230e+02 1.410033776e+02 2.330011534e+02 1.50 4.348495666e+02 2.130257327e+02 3.590206577e+02 4.349594124e+02 4.350692642e+02 1.352237884e+02 2.165488484e+02 3.862734615e+02 1.288262170e+02 2.143144420e+02 1.52 4.017212199e+02 1.940441213e+02 3.305290451e+02 4.018267509e+02 4.019322875e+02 1.243464359e+02 1.984606096e+02 3.560555012e+02 1.176223915e+02 1.970203120e+02 1.54 3.709536624e+02 1.766253512e+02 3.041529602e+02 3.710550466e+02 3.711564358e+02 1.142681734e+02 1.817764228e+02 3.280435489e+02 1.073164212e+02 1.810187324e+02 1.56 3.423862493e+02 1.606465921e+02 2.797419743e+02 3.424836469e+02 3.425810493e+02 1.049327363e+02 1.663913019e+02 3.020839262e+02 9.783860974e+01 1.662167161e+02 1.58 3.158688578e+02 1.459943182e+02 2.571559869e+02 3.159624219e+02 3.160559906e+02 9.628775468e+01 1.522079280e+02 2.780332564e+02 8.912460163e+01 1.525278278e+02 1.60 2.912612202e+02 1.325636256e+02 2.362645374e+02 2.913510974e+02 2.914409788e+02 8.828448188e+01 1.391360983e+02 2.557577974e+02 8.111497413e+01 1.398717269e+02 1.62 2.684322987e+02 1.202575988e+02 2.169461624e+02 2.685186291e+02 2.686049633e+02 8.087754268e+01 1.270922140e+02 2.351328148e+02 7.375486024e+01 1.281737418e+02 1.64 2.472596977e+02 1.089867217e+02 1.990877939e+02 2.473426154e+02 2.474255368e+02 7.402469955e+01 1.159988049e+02 2.160419961e+02 6.699360070e+01 1.173644740e+02 1.66 2.276291135e+02 9.866833177e+01 1.825841972e+02 2.277087472e+02 2.277883843e+02 6.768663559e+01 1.057840874e+02 1.983769012e+02 6.078442265e+01 1.073794302e+02 1.68 2.094338172e+02 8.922611211e+01 1.673374452e+02 2.095102902e+02 2.095867664e+02 6.182675275e+01 9.638155464e+01 1.820364475e+02 5.508414289e+01 9.815867939e+01 1.70 1.925741702e+02 8.058962111e+01 1.532564268e+02 1.926476008e+02 1.927210344e+02 5.641098449e+01 8.772959529e+01 1.669264286e+02 4.985289393e+01 8.964653441e+01 1.72 1.769571693e+02 7.269385520e+01 1.402563879e+02 1.770276712e+02 1.770981759e+02 5.140762148e+01 7.977114009e+01 1.529590621e+02 4.505387087e+01 8.179125538e+01 1.74 1.624960207e+02 6.547884360e+01 1.282585020e+02 1.625637031e+02 1.626313881e+02 4.678714965e+01 7.245333319e+01 1.400525678e+02 4.065309782e+01 7.454477387e+01 1.76 1.491097399e+02 5.888927199e+01 1.171894689e+02 1.491747076e+02 1.492396778e+02 4.252209948e+01 6.572722711e+01 1.281307714e+02 3.661921202e+01 6.786243629e+01 1.78 1.367227767e+02 5.287413382e+01 1.069811408e+02 1.367851306e+02 1.368474869e+02 3.858690590e+01 5.954749958e+01 1.171227346e+02 3.292326450e+01 6.170276509e+01 1.80 1.252646641e+02 4.738640655e+01 9.757017136e+01 1.253245014e+02 1.253843408e+02 3.495777778e+01 5.387219057e+01 1.069624079e+02 2.953853599e+01 5.602723659e+01 1.82 1.146696888e+02 4.238275179e+01 8.889768936e+01 1.147271027e+02 1.147845187e+02 3.161257663e+01 4.866245809e+01 9.758830664e+01 2.644036676e+01 5.080007426e+01 1.84 1.048765821e+02 3.782323699e+01 8.090899307e+01 1.049316626e+02 1.049867450e+02 2.853070355e+01 4.388235152e+01 8.894320687e+01 2.360599953e+01 4.598805639e+01 1.86 9.582823096e+01 3.367107775e+01 7.355326524e+01 9.588106465e+01 9.593390009e+01 2.569299399e+01 3.949860123e+01 8.097386159e+01 2.101443477e+01 4.156033711e+01 1.88 8.747140661e+01 2.989239876e+01 6.678330680e+01 8.752207687e+01 8.757274877e+01 2.308161985e+01 3.548042319e+01 7.363073488e+01 1.864629584e+01 3.748827983e+01 1.90 7.975651062e+01 2.645601248e+01 6.055528844e+01 7.980509779e+01 7.985368651e+01 2.067999814e+01 3.179933767e+01 6.686775325e+01 1.648370560e+01 3.374530233e+01 1.92 7.263733687e+01 2.333321396e+01 5.482851848e+01 7.268391841e+01 7.273050139e+01 1.847270525e+01 2.842900090e+01 6.064207316e+01 1.451017184e+01 3.030673252e+01 1.94 6.607084872e+01 2.049759091e+01 4.956522647e+01 6.611549926e+01 6.616015116e+01 1.644538773e+01 2.534504887e+01 5.491386357e+01 1.271048167e+01 2.714967430e+01 1.96 6.001697016e+01 1.792484771e+01 4.473036111e+01 6.005976168e+01 6.010255446e+01 1.458473383e+01 2.252495235e+01 4.964610266e+01 1.107060365e+01 2.425288272e+01 1.98 5.443839043e+01 1.559264254e+01 4.029140175e+01 5.447939231e+01 5.452039537e+01 1.287834232e+01 1.994788233e+01 4.480438779e+01 9.577596850e+00 2.159664779e+01 2.00 4.930038093e+01 1.348043652e+01 3.621818249e+01 4.933966009e+01 4.937894036e+01 1.131468362e+01 1.759458520e+01 4.035675781e+01 8.219530333e+00 1.916268638e+01 2.02 4.457062391e+01 1.156935425e+01 3.248272820e+01 4.460824488e+01 4.464586690e+01 9.883049599e+00 1.544726682e+01 3.627352704e+01 6.985403037e+00 1.693404169e+01 2.04 4.021905209e+01 9.842054586e+00 2.905910150e+01 4.025507713e+01 4.029110314e+01 8.573490751e+00 1.348948505e+01 3.252713014e+01 5.865072261e+00 1.489498963e+01 2.06 3.621769856e+01 8.282611085e+00 2.592326009e+01 3.625218771e+01 3.628667777e+01 7.376764216e+00 1.170604939e+01 2.909197711e+01 4.849189937e+00 1.303095171e+01 2.08 3.254055635e+01 6.876401597e+00 2.305292381e+01 3.257356754e+01 3.260657959e+01 6.284285345e+00 1.008293081e+01 2.594431793e+01 3.929140973e+00 1.132841406e+01 2.10 2.916344703e+01 5.610006018e+00 2.042745056e+01 2.919503615e+01 2.922662607e+01 5.288082524e+00 8.607173546e+00 2.306211606e+01 3.096987060e+00 9.774852034e+00 2.12 2.606389778e+01 4.471111799e+00 1.802772080e+01 2.609411874e+01 2.612434045e+01 4.380755043e+00 7.266814375e+00 2.042493032e+01 2.345414760e+00 8.358660086e+00 2.14 2.322102642e+01 3.448426593e+00 1.583602988e+01 2.324993122e+01 2.327883674e+01 3.555433816e+00 6.050806588e+00 1.801380464e+01 1.667687517e+00 7.069086506e+00 2.16 2.061543387e+01 2.531597542e+00 1.383598760e+01 2.064307271e+01 2.067071221e+01 2.805744739e+00 4.948972881e+00 1.581116505e+01 1.057601330e+00 5.896172718e+00 2.18 1.822910368e+01 1.711136682e+00 1.201242484e+01 1.825552496e+01 1.828194686e+01 2.125774530e+00 3.951909218e+00 1.380072366e+01 5.094437824e-01 4.830696809e+00 2.20 1.604530800e+01 9.783520622e-01 1.035130642e+01 1.607055842e+01 1.609580943e+01 1.510038865e+00 3.050941630e+00 1.196738890e+01 1.795618449e-02 3.864120996e+00 2.22 1.404851973e+01 3.252835166e-01 8.839650014e+00 1.407264435e+01 1.409676952e+01 9.534526629e-01 2.238074023e+00 1.029718190e+01 -4.217014024e-01 2.988542753e+00 2.24 1.222433045e+01 -2.553592847e-01 7.465450683e+00 1.224737273e+01 1.227041553e+01 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