# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co # implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr1 # composition = Co # 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 2022-05-24 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 nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 9.250892275e+04 nan 0.82 nan nan nan nan nan nan nan nan 8.263985744e+04 nan 0.84 nan nan nan nan nan nan nan nan 7.373027795e+04 nan 0.86 nan nan nan nan nan 5.201824010e+04 nan nan 6.567222123e+04 nan 0.88 nan nan nan nan nan 4.580614292e+04 nan nan 5.835760540e+04 nan 0.90 nan nan nan nan nan 4.013026347e+04 nan nan 5.169066202e+04 nan 0.92 nan nan nan nan nan 3.491686510e+04 nan nan 4.559159576e+04 nan 0.94 nan nan nan nan nan 3.011698528e+04 nan nan 4.000718100e+04 nan 0.96 nan nan nan nan nan 2.570763292e+04 nan nan 3.489471657e+04 nan 0.98 nan nan nan 9.626340286e+04 9.626464215e+04 2.166720371e+04 nan nan 3.022488264e+04 5.484959724e+04 1.00 nan 4.874922560e+04 nan 8.788629624e+04 8.788163892e+04 1.796902434e+04 5.015879585e+04 nan 2.596230314e+04 4.902417356e+04 1.02 nan 4.332037353e+04 nan 8.015512260e+04 8.014855863e+04 1.458782234e+04 4.472143220e+04 nan 2.206552598e+04 4.364836460e+04 1.04 nan 3.831828617e+04 nan 7.301211673e+04 7.300760644e+04 1.148707682e+04 3.970686144e+04 nan 1.848984636e+04 3.868339143e+04 1.06 nan 3.370811291e+04 nan 6.640614858e+04 6.640803725e+04 8.631240394e+03 3.506236103e+04 nan 1.519052031e+04 3.410493797e+04 1.08 nan 2.945313557e+04 nan 6.028668263e+04 6.029544889e+04 5.992357384e+03 3.075671534e+04 nan 1.212923121e+04 2.988520325e+04 1.10 nan 2.552034527e+04 nan 5.461240146e+04 5.462470534e+04 3.563690625e+03 2.676634369e+04 4.886167881e+04 9.277081369e+03 2.600134059e+04 1.12 4.932029085e+04 2.188552753e+04 4.155568280e+04 4.934667732e+04 4.935687258e+04 2.109943794e+03 2.307002557e+04 4.391997671e+04 6.614822724e+03 2.242483991e+04 1.14 4.443749388e+04 1.852021384e+04 3.709024755e+04 4.445145471e+04 4.445379684e+04 1.543021598e+03 1.965850471e+04 3.933790401e+04 4.127393994e+03 1.912030564e+04 1.16 3.990899673e+04 1.540195382e+04 3.295618362e+04 3.989876276e+04 3.989182007e+04 1.360966340e+03 1.650915963e+04 3.507939344e+04 2.032505604e+03 1.605282981e+04 1.18 3.569290680e+04 1.251154316e+04 2.911889767e+04 3.566226955e+04 3.564714723e+04 1.244613315e+03 1.360133903e+04 3.111004669e+04 1.060970539e+03 1.318964148e+04 1.20 3.175788794e+04 9.829401834e+03 2.553871530e+04 3.171679350e+04 3.169815300e+04 1.129564066e+03 1.091188909e+04 2.740215592e+04 7.529636612e+02 1.050419642e+04 1.22 2.807442088e+04 7.337524508e+03 2.219609433e+04 2.803983264e+04 2.802511161e+04 1.017812959e+03 8.411004905e+03 2.393449110e+04 6.740811773e+02 7.976086619e+03 1.24 2.462519645e+04 5.022856232e+03 1.906278329e+04 2.461059743e+04 2.460536236e+04 9.108627397e+02 6.075686191e+03 2.069203833e+04 6.105777672e+02 5.596973525e+03 1.26 2.139022726e+04 2.868313326e+03 1.612396063e+04 2.140603874e+04 2.141298627e+04 8.098065249e+02 3.879941113e+03 1.766515437e+04 5.473133012e+02 3.365164870e+03 1.28 1.837557225e+04 1.173626082e+03 1.338456543e+04 1.841377366e+04 1.843214125e+04 7.152169491e+02 1.906302179e+03 1.484998919e+04 4.860749763e+02 1.599084623e+03 1.30 1.556282817e+04 3.953002903e+02 1.082890040e+04 1.561423592e+04 1.563926306e+04 6.276931220e+02 8.227447744e+02 1.223330906e+04 4.281992558e+02 7.853718225e+02 1.32 1.294645755e+04 1.439182746e+02 8.455165365e+03 1.299866996e+04 1.302496085e+04 5.475026959e+02 4.063335697e+02 9.805723283e+03 3.745198461e+02 5.065241574e+02 1.34 1.051897435e+04 1.069656120e+02 6.253141530e+03 1.055441261e+04 1.057449159e+04 4.747989435e+02 3.059355009e+02 7.550354458e+03 3.255587361e+02 4.333250120e+02 1.36 8.260983743e+03 9.720938243e+01 4.213780526e+03 8.270418083e+03 8.278624599e+03 4.095389830e+02 2.735166117e+02 5.451737261e+03 2.815318291e+02 3.828906518e+02 1.38 6.155416807e+03 8.699694545e+01 2.318795130e+03 6.135924171e+03 6.129964380e+03 3.515705423e+02 2.414935452e+02 3.489014624e+03 2.424112715e+02 3.344896815e+02 1.40 4.188636573e+03 7.697523732e+01 9.705430726e+02 4.142658756e+03 4.122371698e+03 3.005972854e+02 2.107788801e+02 1.705066184e+03 2.080428751e+02 2.894498463e+02 1.42 2.339175193e+03 6.753472668e+01 3.296808279e+02 2.277782081e+03 2.246724591e+03 2.562226434e+02 1.822297896e+02 6.456788455e+02 1.781253314e+02 2.488306890e+02 1.44 9.789446229e+02 5.887732667e+01 9.924823931e+01 9.451438222e+02 9.263025481e+02 2.179350733e+02 1.564207228e+02 1.836496276e+02 1.523179924e+02 2.129499460e+02 1.46 3.189734980e+02 5.109383225e+01 5.789190381e+01 3.081402304e+02 3.012759619e+02 1.851918778e+02 1.336270865e+02 5.140330378e+01 1.301854151e+02 1.818748942e+02 1.48 7.912626676e+01 4.428395503e+01 5.269082530e+01 7.865922689e+01 7.830993011e+01 1.573467043e+02 1.139374081e+02 4.083612321e+01 1.113152315e+02 1.553394338e+02 1.50 3.826688613e+01 3.839594813e+01 4.835263857e+01 3.864615666e+01 3.935977722e+01 1.337878901e+02 9.718464540e+01 3.919352824e+01 9.525112392e+01 1.329345895e+02 1.52 3.732820778e+01 3.335326935e+01 4.462239372e+01 3.632402014e+01 3.625474828e+01 1.138584270e+02 8.305219748e+01 3.717572431e+01 8.154553741e+01 1.140617141e+02 1.54 3.602220304e+01 2.899814089e+01 4.118794062e+01 3.413436428e+01 3.342832551e+01 9.695914283e+01 7.117839545e+01 3.474205699e+01 6.978624103e+01 9.815943102e+01 1.56 3.409700719e+01 2.525837856e+01 3.786795719e+01 3.186931339e+01 3.075577368e+01 8.259429093e+01 6.120829311e+01 3.196000480e+01 5.966137544e+01 8.468252968e+01 1.58 3.172817016e+01 2.202511782e+01 3.461782477e+01 2.952300710e+01 2.822653978e+01 7.036413499e+01 5.279514259e+01 2.895168536e+01 5.092311312e+01 7.324374114e+01 1.60 2.898446432e+01 1.920723891e+01 3.135367717e+01 2.714180646e+01 2.587289646e+01 5.993426564e+01 4.569022447e+01 2.586796904e+01 4.337015264e+01 6.347855830e+01 1.62 2.606962642e+01 1.670580399e+01 2.811209987e+01 2.474887846e+01 2.364551405e+01 5.102908817e+01 3.963205631e+01 2.286070536e+01 3.684443590e+01 5.510451940e+01 1.64 2.316080258e+01 1.447713116e+01 2.494412257e+01 2.239934750e+01 2.156419695e+01 4.341651639e+01 3.443597956e+01 2.001770879e+01 3.121121672e+01 4.788217662e+01 1.66 2.034968341e+01 1.247549189e+01 2.192038890e+01 2.013654828e+01 1.961768306e+01 3.690126303e+01 2.993220535e+01 1.743711652e+01 2.635177953e+01 4.161200177e+01 1.68 1.778031344e+01 1.065903381e+01 1.909277943e+01 1.799826702e+01 1.778739752e+01 3.131838415e+01 2.599456986e+01 1.515079656e+01 2.216330952e+01 3.612989343e+01 1.70 1.548880704e+01 9.002942155e+00 1.650873687e+01 1.601349447e+01 1.607688925e+01 2.652800213e+01 2.252136601e+01 1.317190966e+01 1.855643972e+01 3.130709282e+01 1.72 1.349184642e+01 7.495970442e+00 1.420013232e+01 1.419779107e+01 1.447981599e+01 2.241181634e+01 1.943296943e+01 1.147774145e+01 1.545133801e+01 2.703498470e+01 1.74 1.178364224e+01 6.121353934e+00 1.217350911e+01 1.254838515e+01 1.298239552e+01 1.886922734e+01 1.667886287e+01 1.003030574e+01 1.277935945e+01 2.324326444e+01 1.76 1.035360025e+01 4.876121193e+00 1.041086526e+01 1.107378882e+01 1.158966903e+01 1.581480323e+01 1.421193267e+01 8.804840118e+00 1.048032707e+01 1.987220582e+01 1.78 9.120440309e+00 3.753735183e+00 8.900443595e+00 9.743878349e+00 1.028021407e+01 1.317637104e+01 1.200149741e+01 7.738724199e+00 8.501422335e+00 1.687407167e+01 1.80 8.079392513e+00 2.746216628e+00 7.606254302e+00 8.563281245e+00 9.065565440e+00 1.089293832e+01 1.002277984e+01 6.810786626e+00 6.797846671e+00 1.421575685e+01 1.82 7.179717655e+00 1.846437867e+00 6.496832794e+00 7.502564635e+00 7.929250355e+00 8.913473062e+00 8.256100395e+00 5.961892929e+00 5.330312319e+00 1.186542311e+01 1.84 6.352321609e+00 1.045482329e+00 5.509641003e+00 6.537660546e+00 6.869099818e+00 7.195616592e+00 6.683320682e+00 5.176736579e+00 4.064931783e+00 9.792596244e+00 1.86 5.588263045e+00 3.373575800e-01 4.633359522e+00 5.660097074e+00 5.886231887e+00 5.704368861e+00 5.285911614e+00 4.434278810e+00 2.972446252e+00 7.971246053e+00 1.88 4.860935173e+00 -2.873366273e-01 3.826089729e+00 4.845969127e+00 4.969282988e+00 4.411240644e+00 4.049762037e+00 3.716868538e+00 2.027745843e+00 6.375366011e+00 1.90 4.161766219e+00 -8.376726259e-01 3.075207235e+00 4.086537372e+00 4.120307479e+00 3.291975453e+00 2.958949438e+00 3.023026281e+00 1.209307691e+00 4.981418067e+00 1.92 3.469894677e+00 -1.321411849e+00 2.366529405e+00 3.363468439e+00 3.328238362e+00 2.326173217e+00 1.998958168e+00 2.350929809e+00 4.988949481e-01 3.765062512e+00 1.94 2.799695748e+00 -1.746536136e+00 1.696344313e+00 2.679486710e+00 2.595903101e+00 1.495856989e+00 1.156480662e+00 1.705468120e+00 -1.187482984e-01 2.707470876e+00 1.96 2.151300075e+00 -2.120512598e+00 1.063738611e+00 2.031527907e+00 1.919701310e+00 7.850419686e-01 4.193935515e-01 1.089565643e+00 -6.560498493e-01 1.789505042e+00 1.98 1.528028290e+00 -2.449690825e+00 4.729976782e-01 1.414200367e+00 1.291381532e+00 1.786959184e-01 -2.237941648e-01 5.073592713e-01 -1.123130779e+00 9.940169441e-01 2.00 9.355878375e-01 -2.739408586e+00 -7.390673104e-02 8.334044816e-01 7.129986130e-01 -3.367690448e-01 -7.833424777e-01 -3.783551690e-02 -1.528100656e+00 3.056804738e-01 2.02 3.736441724e-01 -2.994088054e+00 -5.759413452e-01 2.873730950e-01 1.785720373e-01 -7.736639533e-01 -1.268686194e+00 -5.447997704e-01 -1.877200514e+00 -2.897236509e-01 2.04 -1.511099148e-01 -3.217359692e+00 -1.033458873e+00 -2.208046384e-01 -3.122024919e-01 -1.142904212e+00 -1.688608356e+00 -1.010525894e+00 -2.175798807e+00 -8.044663643e-01 2.06 -6.378623763e-01 -3.412232095e+00 -1.448117778e+00 -6.920821882e-01 -7.643683588e-01 -1.453994690e+00 -2.051101897e+00 -1.436393168e+00 -2.428250112e+00 -1.249919012e+00 2.08 -1.086215080e+00 -3.581085669e+00 -1.822584142e+00 -1.125744771e+00 -1.178608642e+00 -1.715114783e+00 -2.363375573e+00 -1.822542432e+00 -2.638541432e+00 -1.636175918e+00 2.10 -1.494941833e+00 -3.726069488e+00 -2.159408959e+00 -1.521988360e+00 -1.557190644e+00 -1.933257687e+00 -2.632002007e+00 -2.170210547e+00 -2.810608573e+00 -1.972318132e+00 2.12 -1.868880326e+00 -3.848835469e+00 -2.463754346e+00 -1.884052312e+00 -1.903766792e+00 -2.114393519e+00 -2.862736589e+00 -2.482478276e+00 -2.948496677e+00 -2.265541241e+00 2.14 -2.205899078e+00 -3.951191951e+00 -2.737157124e+00 -2.211727908e+00 -2.219174975e+00 -2.263632037e+00 -3.060578253e+00 -2.760412805e+00 -3.056210594e+00 -2.522697990e+00 2.16 -2.508371804e+00 -4.034729931e+00 -2.982740062e+00 -2.507149496e+00 -2.505589462e+00 -2.385337817e+00 -3.230065198e+00 -3.006520197e+00 -3.137740864e+00 -2.748936756e+00 2.18 -2.778459413e+00 -4.101044235e+00 -3.202897989e+00 -2.772366565e+00 -2.764918416e+00 -2.483271311e+00 -3.374735159e+00 -3.223260645e+00 -3.196742754e+00 -2.948069931e+00 2.20 -3.018270139e+00 -4.151727235e+00 -3.399428003e+00 -3.009356126e+00 -2.998860819e+00 -2.560676131e+00 -3.497807609e+00 -3.413087281e+00 -3.236478497e+00 -3.122700654e+00 2.22 -3.229957853e+00 -4.188316031e+00 -3.573690280e+00 -3.220264762e+00 -3.209177023e+00 -2.620353225e+00 -3.601613048e+00 -3.578451703e+00 -3.259864403e+00 -3.274443179e+00 2.24 -3.415735524e+00 -4.212287198e+00 -3.726830221e+00 -3.406975673e+00 -3.397296506e+00 -2.664659788e+00 -3.688068957e+00 -3.721788187e+00 -3.269412326e+00 -3.404301160e+00 2.26 -3.577931511e+00 -4.224662234e+00 -3.859598876e+00 -3.571514734e+00 -3.564709361e+00 -2.695870701e+00 -3.758827138e+00 -3.845457916e+00 -3.267302257e+00 -3.512568812e+00 2.28 -3.718828865e+00 -4.226672467e+00 -3.973070316e+00 -3.715782987e+00 -3.712795870e+00 -2.715649297e+00 -3.814943503e+00 -3.951711147e+00 -3.255417843e+00 -3.599859213e+00 2.30 -3.840735627e+00 -4.219311529e+00 -4.068215331e+00 -3.841618069e+00 -3.842854826e+00 -2.725604619e+00 -3.857208894e+00 -4.042683352e+00 -3.235381896e+00 -3.666789005e+00 2.32 -3.945854621e+00 -4.202946450e+00 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