# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Tramontina-D-R-Deluigi-O-R-Pinzon-R-et-al--Fe-Cu-Ni # implementation = 2023--Tramontina-D-R--Fe-Cu-Ni--LAMMPS--ipr1 # composition = Fe # 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 2023-06-29 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 1.307787222e+03 nan 0.74 nan nan nan nan nan nan nan nan 1.153302910e+03 nan 0.76 nan nan nan nan nan nan nan nan 1.018504181e+03 nan 0.78 nan nan nan nan nan 7.948079273e+02 nan nan 9.005922212e+02 nan 0.80 nan nan nan nan nan 7.041905376e+02 nan nan 7.973672188e+02 nan 0.82 nan nan nan nan nan 6.249043800e+02 nan nan 7.069876857e+02 nan 0.84 nan nan nan nan nan 5.554734995e+02 nan nan 6.275136044e+02 nan 0.86 nan nan nan nan nan 4.947395680e+02 nan nan 5.574479086e+02 nan 0.88 nan nan nan 1.268356588e+03 1.268485749e+03 4.416089973e+02 nan nan 4.955703352e+02 7.720404462e+02 0.90 nan 6.666155929e+02 nan 1.142943083e+03 1.142846274e+03 3.950605961e+02 6.947930520e+02 nan 4.408841752e+02 6.908876534e+02 0.92 nan 5.973925554e+02 nan 1.031503173e+03 1.031244276e+03 3.541832664e+02 6.226447392e+02 nan 3.925526327e+02 6.188976712e+02 0.94 nan 5.350872667e+02 nan 9.323085965e+02 9.320063696e+02 3.181786322e+02 5.584205384e+02 nan 3.498143312e+02 5.549022920e+02 0.96 nan 4.790973824e+02 nan 8.439422911e+02 8.436950527e+02 2.864128563e+02 5.011036705e+02 nan 3.120170385e+02 4.980107692e+02 0.98 nan 4.288190052e+02 nan 7.651176782e+02 7.649809475e+02 2.583317784e+02 4.497413439e+02 6.968806807e+02 2.785461409e+02 4.474984463e+02 1.00 6.946251623e+02 3.836848111e+02 6.045344453e+02 6.946909077e+02 6.946777229e+02 2.334567139e+02 4.037571069e+02 6.314284074e+02 2.488890994e+02 4.027162523e+02 1.02 6.308358448e+02 3.430808383e+02 5.471846626e+02 6.310319318e+02 6.311472689e+02 2.111993235e+02 3.624739117e+02 5.719685828e+02 2.224739240e+02 3.626741336e+02 1.04 5.725425159e+02 3.064816124e+02 4.948773407e+02 5.728306582e+02 5.730804061e+02 1.910767985e+02 3.252697910e+02 5.177507627e+02 1.988010692e+02 3.265050711e+02 1.06 5.192808271e+02 2.735309304e+02 4.471515099e+02 5.196097529e+02 5.199589447e+02 1.728390019e+02 2.917410491e+02 4.683405899e+02 1.775644956e+02 2.937882240e+02 1.08 4.706488363e+02 2.438898029e+02 4.035449205e+02 4.709402941e+02 4.712937092e+02 1.562456919e+02 2.615221732e+02 4.233788049e+02 1.585116619e+02 2.641794235e+02 1.10 4.262976652e+02 2.171814705e+02 3.638091701e+02 4.265026130e+02 4.267800350e+02 1.411699507e+02 2.342782606e+02 3.825180112e+02 1.414362652e+02 2.373967744e+02 1.12 3.859124361e+02 1.931635923e+02 3.276650173e+02 3.860061061e+02 3.861515925e+02 1.274722370e+02 2.096984052e+02 3.454053684e+02 1.261551092e+02 2.131943409e+02 1.14 3.491932590e+02 1.715517055e+02 2.948585089e+02 3.491642332e+02 3.491554979e+02 1.150357406e+02 1.875231171e+02 3.116618623e+02 1.124838503e+02 1.913408983e+02 1.16 3.158035559e+02 1.521153289e+02 2.651610169e+02 3.156657208e+02 3.155222301e+02 1.037625337e+02 1.675345760e+02 2.809266641e+02 1.002705594e+02 1.715965945e+02 1.18 2.852606191e+02 1.346530938e+02 2.383150063e+02 2.850715853e+02 2.848577982e+02 9.353999615e+01 1.495357881e+02 2.528563570e+02 8.936833194e+01 1.537001441e+02 1.20 2.573018155e+02 1.190019713e+02 2.140488456e+02 2.571150870e+02 2.568931873e+02 8.426217118e+01 1.333452382e+02 2.272658219e+02 7.963430670e+01 1.374966173e+02 1.22 2.317622091e+02 1.049931187e+02 1.921096419e+02 2.316098763e+02 2.314222525e+02 7.584011054e+01 1.187944715e+02 2.039875107e+02 7.094265356e+01 1.228783302e+02 1.24 2.084835357e+02 9.246295568e+01 1.722506225e+02 2.083779909e+02 2.082485249e+02 6.816964435e+01 1.057104486e+02 1.828619729e+02 6.317128914e+01 1.097436443e+02 1.26 1.873037345e+02 8.126948061e+01 1.542205037e+02 1.872494114e+02 1.871858235e+02 6.112953665e+01 9.394691479e+01 1.637255179e+02 5.618609532e+01 9.797980014e+01 1.28 1.680819844e+02 7.129326071e+01 1.378572721e+02 1.680819575e+02 1.680830347e+02 5.468732784e+01 8.339509194e+01 1.464229674e+02 4.990947732e+01 8.746564175e+01 1.30 1.506741353e+02 6.242518155e+01 1.230173849e+02 1.507255474e+02 1.507832148e+02 4.881810297e+01 7.395411057e+01 1.307896959e+02 4.427584249e+01 7.807829182e+01 1.32 1.349141479e+02 5.456808211e+01 1.095831393e+02 1.350102788e+02 1.351166518e+02 4.349806227e+01 6.552787270e+01 1.166728670e+02 3.922791228e+01 6.969414918e+01 1.34 1.206497444e+02 4.763108105e+01 9.744429275e+01 1.207803508e+02 1.209245869e+02 3.869560575e+01 5.802367676e+01 1.039376239e+02 3.471344384e+01 6.219802230e+01 1.36 1.077560088e+02 4.152563251e+01 8.649904159e+01 1.079071833e+02 1.080722083e+02 3.437688695e+01 5.135650862e+01 9.246565790e+01 3.065963639e+01 5.548763593e+01 1.38 9.612453954e+01 3.616115175e+01 7.664094592e+01 9.627842041e+01 9.644276543e+01 3.049624626e+01 4.543242058e+01 8.215156247e+01 2.700968301e+01 4.947615224e+01 1.40 8.565281989e+01 3.144714123e+01 6.777242333e+01 8.579052283e+01 8.593373105e+01 2.700603739e+01 4.013639847e+01 7.289732783e+01 2.372827340e+01 4.408814112e+01 1.42 7.624419062e+01 2.729918501e+01 5.980522322e+01 7.634873209e+01 7.645484531e+01 2.386191356e+01 3.540412670e+01 6.460454985e+01 2.077983327e+01 3.925277921e+01 1.44 6.777502055e+01 2.364603776e+01 5.266534040e+01 6.783593855e+01 6.789576433e+01 2.102865963e+01 3.118179832e+01 5.716396303e+01 1.813342784e+01 3.485638886e+01 1.46 6.015139318e+01 2.042583129e+01 4.628713329e+01 6.016436520e+01 6.017455851e+01 1.847860570e+01 2.742009979e+01 5.048700336e+01 1.576561126e+01 3.084299378e+01 1.48 5.328794921e+01 1.758825452e+01 4.060718807e+01 5.325482073e+01 5.321763707e+01 1.617157750e+01 2.407401395e+01 4.449773382e+01 1.365612495e+01 2.718042800e+01 1.50 4.710554444e+01 1.509048754e+01 3.556644916e+01 4.703371914e+01 4.695680211e+01 1.408490167e+01 2.110182346e+01 3.912718459e+01 1.178047553e+01 2.384279849e+01 1.52 4.154192890e+01 1.289739531e+01 3.110964036e+01 4.144094875e+01 4.133467341e+01 1.220442520e+01 1.846509334e+01 3.431950773e+01 1.009631395e+01 2.081786850e+01 1.54 3.654797717e+01 1.097792382e+01 2.718474626e+01 3.642865179e+01 3.630485536e+01 1.051787397e+01 1.612373053e+01 3.002510567e+01 8.585169770e+00 1.809547409e+01 1.56 3.208009328e+01 9.304546297e+00 2.374102635e+01 3.195420429e+01 3.182553785e+01 9.011461097e+00 1.403929661e+01 2.619921324e+01 7.231112494e+00 1.566400307e+01 1.58 2.809469955e+01 7.853880202e+00 2.072827940e+01 2.797437890e+01 2.785340087e+01 7.669167675e+00 1.217617518e+01 2.279892598e+01 6.019210952e+00 1.350752295e+01 1.60 2.454203149e+01 6.606173247e+00 1.809433734e+01 2.443819391e+01 2.433539519e+01 6.472979586e+00 1.050592012e+01 1.978020108e+01 4.935817664e+00 1.159813290e+01 1.62 2.137644005e+01 5.542212613e+00 1.578983509e+01 2.129747375e+01 2.122044595e+01 5.406821097e+00 9.000767748e+00 1.710289855e+01 3.968440916e+00 9.907574098e+00 1.64 1.855822423e+01 4.620395646e+00 1.377162831e+01 1.850962460e+01 1.846311866e+01 4.458298045e+00 7.636847873e+00 1.473483001e+01 3.103779470e+00 8.408213827e+00 1.66 1.605527107e+01 3.792324923e+00 1.200069938e+01 1.603953506e+01 1.602554243e+01 3.615626620e+00 6.386494821e+00 1.264961555e+01 2.324521040e+00 7.064502895e+00 1.68 1.384100289e+01 3.044734482e+00 1.044268262e+01 1.385738364e+01 1.387504986e+01 2.866889296e+00 5.241737180e+00 1.082331015e+01 1.625960880e+00 5.861153341e+00 1.70 1.189029961e+01 2.371338135e+00 9.067044402e+00 1.193526304e+01 1.198111649e+01 2.199738432e+00 4.201120627e+00 9.231488886e+00 1.001872783e+00 4.786134025e+00 1.72 1.018031694e+01 1.765590041e+00 7.846307662e+00 1.024787429e+01 1.031590929e+01 1.602726295e+00 3.262176160e+00 7.851425946e+00 4.437480474e-01 3.827864682e+00 1.74 8.691171412e+00 1.221193797e+00 6.754251006e+00 8.773100369e+00 8.855033514e+00 1.065896775e+00 2.420726220e+00 6.661285520e+00 -5.571853539e-02 2.977180027e+00 1.76 7.402830509e+00 7.316898754e-01 5.756812016e+00 7.490632759e+00 7.577987973e+00 5.839304368e-01 1.672255174e+00 5.638724401e+00 -5.019101271e-01 2.226017773e+00 1.78 6.293626519e+00 2.907603734e-01 4.832803091e+00 6.379620785e+00 6.464911676e+00 1.534943460e-01 1.011501456e+00 4.763136071e+00 -8.974360831e-01 1.565767344e+00 1.80 5.342037132e+00 -1.088655121e-01 3.967452663e+00 5.419778073e+00 5.496839340e+00 -2.283083726e-01 4.298032486e-01 4.000165480e+00 -1.244102718e+00 9.861945328e-01 1.82 4.525523934e+00 -4.881649787e-01 3.163657236e+00 4.590215897e+00 4.654438844e+00 -5.639667955e-01 -8.060774335e-02 3.322712657e+00 -1.545117166e+00 4.760243654e-01 1.84 3.806890935e+00 -8.512008060e-01 2.424758807e+00 3.855339961e+00 3.903601330e+00 -8.554882248e-01 -5.268049104e-01 2.716161835e+00 -1.805037521e+00 2.445563377e-02 1.86 3.165747802e+00 -1.198582031e+00 1.753681780e+00 3.196166157e+00 3.226646462e+00 -1.104916619e+00 -9.154512178e-01 2.168121761e+00 -2.028471447e+00 -3.778597723e-01 1.88 2.589653914e+00 -1.530033559e+00 1.151093237e+00 2.601868749e+00 2.614295880e+00 -1.315688763e+00 -1.252422469e+00 1.669020234e+00 -2.219995346e+00 -7.371954397e-01 1.90 2.066246017e+00 -1.845107985e+00 6.166420728e-01 2.061841091e+00 2.057694796e+00 -1.491373240e+00 -1.545483380e+00 1.210520918e+00 -2.383211537e+00 -1.059054278e+00 1.92 1.585114495e+00 -2.141209700e+00 1.496369729e-01 1.567112437e+00 1.549349343e+00 -1.635400025e+00 -1.804951305e+00 7.884854571e-01 -2.520497213e+00 -1.347485254e+00 1.94 1.140992882e+00 -2.414974812e+00 -2.536415579e-01 1.113201613e+00 1.085596098e+00 -1.750972082e+00 -2.034436282e+00 4.009143619e-01 -2.633984363e+00 -1.605199938e+00 1.96 7.312647368e-01 -2.662860065e+00 -6.001014412e-01 6.975488367e-01 6.639426726e-01 -1.841909625e+00 -2.236481742e+00 3.146190904e-02 -2.725924312e+00 -1.834649291e+00 1.98 3.537644820e-01 -2.881407930e+00 -8.987315681e-01 3.174650380e-01 2.811876878e-01 -1.912961188e+00 -2.413182956e+00 -3.329619944e-01 -2.798362661e+00 -2.038061120e+00 2.00 6.801957635e-03 -3.069776588e+00 -1.158439874e+00 -2.935081829e-02 -6.555656297e-02 -1.968754153e+00 -2.566441291e+00 -6.880321703e-01 -2.853185593e+00 -2.217277706e+00 2.02 -3.319044757e-01 -3.232915728e+00 -1.401007727e+00 -3.658454109e-01 -3.998791729e-01 -2.020793554e+00 -2.705101753e+00 -1.036495016e+00 -2.897526204e+00 -2.384025781e+00 2.04 -6.791602695e-01 -3.375438053e+00 -1.642751420e+00 -7.094211959e-01 -7.397810874e-01 -2.078202978e+00 -2.835920994e+00 -1.379687034e+00 -2.937606183e+00 -2.547110253e+00 2.06 -1.028149269e+00 -3.499217648e+00 -1.881974334e+00 -1.053663587e+00 -1.079260437e+00 -2.139985572e+00 -2.957085135e+00 -1.711158459e+00 -2.973414491e+00 -2.703460961e+00 2.08 -1.372255315e+00 -3.606842892e+00 -2.116581776e+00 -1.392314906e+00 -1.412429199e+00 -2.204583703e+00 -3.067458760e+00 -2.024839378e+00 -3.004921907e+00 -2.850066733e+00 2.10 -1.705042069e+00 -3.700260818e+00 -2.344518386e+00 -1.719308661e+00 -1.733601904e+00 -2.270452182e+00 -3.166923212e+00 -2.315405732e+00 -3.032433721e+00 -2.983969045e+00 2.12 -2.020178399e+00 -3.781196232e+00 -2.563361720e+00 -2.028699778e+00 -2.037229788e+00 -2.336047848e+00 -3.255513234e+00 -2.577748211e+00 -3.056327870e+00 -3.102246700e+00 2.14 -2.311431131e+00 -3.851086789e+00 -2.770484633e+00 -2.314692256e+00 -2.317954759e+00 -2.399840689e+00 -3.333204711e+00 -2.807681300e+00 -3.076711409e+00 -3.202278109e+00 2.16 -2.574105492e+00 -3.910365537e+00 -2.963288666e+00 -2.572934343e+00 -2.571763200e+00 -2.460300408e+00 -3.400029633e+00 -3.004489526e+00 -3.093276749e+00 -3.282961302e+00 2.18 -2.805754382e+00 -3.958919474e+00 -3.139302511e+00 -2.801076293e+00 -2.796398205e+00 -2.515880114e+00 -3.456143507e+00 -3.170804587e+00 -3.105698967e+00 -3.344242989e+00 2.20 -3.004304306e+00 -3.996456990e+00 -3.296725457e+00 -2.997102719e+00 -2.989901133e+00 -2.565008819e+00 -3.501630667e+00 -3.309630002e+00 -3.113608190e+00 -3.386222951e+00 2.22 -3.168913725e+00 -4.022865461e+00 -3.434538449e+00 -3.160140086e+00 -3.151366447e+00 -2.606320215e+00 -3.536667456e+00 -3.424333089e+00 -3.116913201e+00 -3.409612377e+00 2.24 -3.303415025e+00 -4.038900189e+00 -3.554283172e+00 -3.293851371e+00 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