# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Co-Cr # implementation = 2017--Choi-W-M--Co-Cr--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 1.830146855e+02 nan nan nan nan 0.68 nan nan nan nan nan 1.714414738e+02 nan nan nan nan 0.70 nan nan nan nan nan 1.605738733e+02 nan nan 2.548450985e+02 nan 0.72 nan nan nan nan nan 1.503675289e+02 nan nan 2.373078779e+02 nan 0.74 nan nan nan nan nan 1.407810529e+02 nan nan 2.209099601e+02 nan 0.76 nan nan nan nan nan 1.317758129e+02 nan nan 2.055787017e+02 nan 0.78 nan 3.308305897e+02 nan nan nan 1.233157366e+02 3.116780472e+02 nan 1.912460788e+02 2.687540804e+02 0.80 nan 3.094522631e+02 nan nan nan 1.153671302e+02 2.915062711e+02 nan 1.778483919e+02 2.515214928e+02 0.82 nan 2.893401409e+02 nan nan nan 1.078985111e+02 2.725513012e+02 nan 1.653259909e+02 2.353264399e+02 0.84 nan 2.704232273e+02 3.485438018e+02 nan nan 1.008804524e+02 2.547423107e+02 nan 1.536230165e+02 2.201079181e+02 0.86 3.332929570e+02 2.526343482e+02 3.277613838e+02 3.332243062e+02 3.331556554e+02 9.428543876e+01 2.380125110e+02 3.181663692e+02 1.426871591e+02 2.058084858e+02 0.88 3.141263990e+02 2.359099524e+02 3.081168304e+02 3.140599980e+02 3.139935971e+02 8.808773388e+01 2.222989250e+02 2.994167544e+02 1.324694323e+02 1.923740552e+02 0.90 2.959714330e+02 2.201899228e+02 2.895510857e+02 2.959072259e+02 2.958430188e+02 8.226325649e+01 2.075421726e+02 2.816798148e+02 1.229239613e+02 1.797536969e+02 0.92 2.787773192e+02 2.054173978e+02 2.720080401e+02 2.787152504e+02 2.786531816e+02 7.678946633e+01 1.936862685e+02 2.649036005e+02 1.140077848e+02 1.678994556e+02 0.94 2.624957781e+02 1.915386007e+02 2.554343882e+02 2.624357926e+02 2.623758070e+02 7.164525809e+01 1.806784308e+02 2.490387370e+02 1.056806696e+02 1.567661768e+02 0.96 2.470808744e+02 1.785026781e+02 2.397794932e+02 2.470229177e+02 2.469649610e+02 6.681086322e+01 1.684689006e+02 2.340383009e+02 9.790493658e+01 1.463113432e+02 0.98 2.324889057e+02 1.662615473e+02 2.249952576e+02 2.324329240e+02 2.323769422e+02 6.226775889e+01 1.570107714e+02 2.198577008e+02 9.064529863e+01 1.364949207e+02 1.00 2.186782967e+02 1.547697497e+02 2.110360005e+02 2.186242368e+02 2.185701769e+02 5.799858354e+01 1.462598279e+02 2.064545647e+02 8.386870807e+01 1.272792142e+02 1.02 2.056094984e+02 1.439843135e+02 1.978583402e+02 2.055573079e+02 2.055051173e+02 5.398705859e+01 1.361743942e+02 1.937886320e+02 7.754421445e+01 1.186287303e+02 1.04 1.932448914e+02 1.338646221e+02 1.854210821e+02 1.931945184e+02 1.931441455e+02 5.021791576e+01 1.267151900e+02 1.818216513e+02 7.164283107e+01 1.105100494e+02 1.06 1.815486944e+02 1.243722897e+02 1.736851124e+02 1.815000881e+02 1.814514818e+02 4.667682966e+01 1.178451952e+02 1.705172824e+02 6.613741024e+01 1.028917045e+02 1.08 1.704868768e+02 1.154710432e+02 1.626132967e+02 1.704399870e+02 1.703930973e+02 4.335035517e+01 1.095295217e+02 1.598410035e+02 6.100252637e+01 9.574406742e+01 1.10 1.600270751e+02 1.071266106e+02 1.521703830e+02 1.599818525e+02 1.599366300e+02 4.022586936e+01 1.017352928e+02 1.497600227e+02 5.621436661e+01 8.903924148e+01 1.12 1.501385134e+02 9.930661367e+01 1.423229097e+02 1.500949096e+02 1.500513058e+02 3.729151743e+01 9.443152890e+01 1.402431934e+02 5.175062842e+01 8.275096041e+01 1.14 1.407919278e+02 9.198046825e+01 1.330391179e+02 1.407498952e+02 1.407078625e+02 3.453616260e+01 8.758903995e+01 1.312609343e+02 4.759042371e+01 7.685449338e+01 1.16 1.319594939e+02 8.511928781e+01 1.242888678e+02 1.319189857e+02 1.318784775e+02 3.194933949e+01 8.118032370e+01 1.227851525e+02 4.371418907e+01 7.132655537e+01 1.18 1.236147579e+02 7.869579302e+01 1.160435587e+02 1.235757285e+02 1.235366991e+02 2.952121072e+01 7.517946980e+01 1.147891712e+02 4.010360178e+01 6.614522290e+01 1.20 1.157325715e+02 7.268422569e+01 1.082760538e+02 1.156949759e+02 1.156573804e+02 2.724252662e+01 6.956206920e+01 1.072476601e+02 3.674150109e+01 6.128985460e+01 1.22 1.082890287e+02 6.706026713e+01 1.009606073e+02 1.082528230e+02 1.082166173e+02 2.510458772e+01 6.430512872e+01 1.001365694e+02 3.361181463e+01 5.674101647e+01 1.24 1.012614063e+02 6.180096082e+01 9.407279616e+01 1.012265476e+02 1.011916888e+02 2.309920979e+01 5.938699031e+01 9.343306693e+01 3.069948938e+01 5.248041149e+01 1.26 9.462810755e+01 5.688463904e+01 8.758945423e+01 9.459455366e+01 9.456099977e+01 2.121869135e+01 5.478725496e+01 8.711547842e+01 2.799042718e+01 4.849081334e+01 1.28 8.836860735e+01 5.229085337e+01 8.148861018e+01 8.833631720e+01 8.830402704e+01 1.945578340e+01 5.048671086e+01 8.116323055e+01 2.547142421e+01 4.475600397e+01 1.30 8.246340111e+01 4.800030878e+01 7.574942797e+01 8.243233450e+01 8.240126789e+01 1.780366114e+01 4.646726555e+01 7.555679669e+01 2.313011443e+01 4.126071486e+01 1.32 7.689395538e+01 4.399480112e+01 7.035215043e+01 7.686407308e+01 7.683419078e+01 1.625589770e+01 4.271188200e+01 7.027764533e+01 2.095491659e+01 3.799057168e+01 1.34 7.164266102e+01 4.025715800e+01 6.527804545e+01 7.161392472e+01 7.158518842e+01 1.480643957e+01 3.920451819e+01 6.530819097e+01 1.893498453e+01 3.493204216e+01 1.36 6.669278861e+01 3.677118263e+01 6.050935484e+01 6.666516093e+01 6.663753325e+01 1.344958373e+01 3.593007023e+01 6.063174735e+01 1.706016079e+01 3.207238710e+01 1.38 6.202844582e+01 3.352160071e+01 5.602924552e+01 6.200189031e+01 6.197533480e+01 1.217995626e+01 3.287431853e+01 5.623248297e+01 1.532093302e+01 2.939961408e+01 1.40 5.763453697e+01 3.049401005e+01 5.182176328e+01 5.760901810e+01 5.758349923e+01 1.099249236e+01 3.002387716e+01 5.209537878e+01 1.370839327e+01 2.690243403e+01 1.42 5.349672434e+01 2.767483290e+01 4.787178859e+01 5.347220749e+01 5.344769064e+01 9.882417765e+00 2.736614600e+01 4.820618784e+01 1.221419980e+01 2.457022023e+01 1.44 4.960139146e+01 2.505127073e+01 4.416499467e+01 4.957784291e+01 4.955429437e+01 8.845231253e+00 2.488926563e+01 4.455139702e+01 1.083054133e+01 2.239296976e+01 1.46 4.593560800e+01 2.261126148e+01 4.068780756e+01 4.591299493e+01 4.589038186e+01 7.876688394e+00 2.258207473e+01 4.111819049e+01 9.550103569e+00 2.036126715e+01 1.48 4.248709643e+01 2.034343898e+01 3.742736812e+01 4.246538690e+01 4.244367736e+01 6.972786295e+00 2.043406996e+01 3.789441499e+01 8.366037833e+00 1.846625019e+01 1.50 3.924420022e+01 1.823709465e+01 3.437149592e+01 3.922336315e+01 3.920252608e+01 6.129749339e+00 1.843536809e+01 3.486854685e+01 7.271931711e+00 1.669957776e+01 1.52 3.619585353e+01 1.628214109e+01 3.150865488e+01 3.617585870e+01 3.615586388e+01 5.344015830e+00 1.657667024e+01 3.202966049e+01 6.261781522e+00 1.505339940e+01 1.54 3.333155238e+01 1.446907774e+01 2.882792055e+01 3.331237043e+01 3.329318848e+01 4.612225493e+00 1.484922819e+01 2.936739861e+01 5.329966558e+00 1.352032685e+01 1.56 3.064132716e+01 1.278895827e+01 2.631894909e+01 3.062292956e+01 3.060453196e+01 3.931207743e+00 1.324481265e+01 2.687194367e+01 4.471224936e+00 1.209340706e+01 1.58 2.811571652e+01 1.123335982e+01 2.397194767e+01 2.809807554e+01 2.808043456e+01 3.297970714e+00 1.175568322e+01 2.453399086e+01 3.680630988e+00 1.076609695e+01 1.60 2.574574235e+01 9.794353760e+00 2.177764639e+01 2.572883107e+01 2.571191980e+01 2.709690945e+00 1.037456016e+01 2.234472239e+01 2.953574069e+00 9.532239455e+00 1.62 2.352288614e+01 8.464478147e+00 1.972727155e+01 2.350667845e+01 2.349047077e+01 2.163703719e+00 9.094597727e+00 2.029578295e+01 2.285738712e+00 8.386041119e+00 1.64 2.143906635e+01 7.236711570e+00 1.781252027e+01 2.142353690e+01 2.140800745e+01 1.657493990e+00 7.909359027e+00 1.837925651e+01 1.673086030e+00 7.322050912e+00 1.66 1.948661689e+01 6.104448452e+00 1.602553634e+01 1.947174108e+01 1.945686528e+01 1.188687863e+00 6.812792322e+00 1.658764407e+01 1.111836294e+00 6.335140302e+00 1.68 1.765826664e+01 5.061475667e+00 1.435888727e+01 1.764402064e+01 1.762977464e+01 7.550445920e-01 5.799208672e+00 1.491384270e+01 5.984526039e-01 5.420484483e+00 1.70 1.594711996e+01 4.101950425e+00 1.280554248e+01 1.593348065e+01 1.591984133e+01 3.544487289e-01 4.863260856e+00 1.335112547e+01 1.296255954e-01 4.573544693e+00 1.72 1.434663810e+01 3.220379361e+00 1.135885257e+01 1.433358307e+01 1.432052804e+01 -1.511174801e-02 3.999923504e+00 1.189312237e+01 -2.977408948e-01 3.790051570e+00 1.74 1.285062152e+01 2.411598747e+00 1.001252963e+01 1.283812907e+01 1.282563663e+01 -3.555070905e-01 3.204474355e+00 1.053380227e+01 -6.865432638e-01 3.065989453e+00 1.76 1.145319310e+01 1.670755794e+00 8.760628536e+00 1.144124222e+01 1.142929133e+01 -6.684962921e-01 2.472476599e+00 9.267455668e+00 -1.039490743e+00 2.397581626e+00 1.78 1.014878207e+01 9.932909587e-01 7.597529149e+00 1.013735240e+01 1.012592273e+01 -9.557772131e-01 1.799762217e+00 8.088678317e+00 -1.359117133e+00 1.781276388e+00 1.80 8.932108817e+00 3.749212294e-01 6.517919438e+00 8.921180654e+00 8.910252490e+00 -1.218934859e+00 1.182416284e+00 6.992355674e+00 -1.647791920e+00 1.213733957e+00 1.82 7.798170331e+00 -1.883756851e-01 5.516779423e+00 7.787724610e+00 7.777278889e+00 -1.459465238e+00 6.167621695e-01 5.973648103e+00 -1.907730644e+00 6.918141142e-01 1.84 6.742226420e+00 -7.003762908e-01 4.589365946e+00 6.732244696e+00 6.722262973e+00 -1.678780272e+00 9.934758343e-02 5.027976815e+00 -2.141004568e+00 2.125645834e-01 1.86 5.759786556e+00 -1.164625432e+00 3.731198188e+00 5.750250989e+00 5.740715423e+00 -1.878212438e+00 -3.730685728e-01 4.151010496e+00 -2.349549796e+00 -2.267899333e-01 1.88 4.846597375e+00 -1.584449633e+00 2.938043924e+00 4.837490715e+00 4.828384056e+00 -2.059019137e+00 -8.035286015e-01 3.338652612e+00 -2.535175800e+00 -6.288580690e-01 1.90 3.998630775e+00 -1.962969702e+00 2.205906471e+00 3.989936345e+00 3.981241916e+00 -2.222386816e+00 -1.194887694e+00 2.587029330e+00 -2.699573420e+00 -9.960915167e-01 1.92 3.212072587e+00 -2.303112647e+00 1.531012290e+00 3.203774271e+00 3.195475955e+00 -2.369434857e+00 -1.549824939e+00 1.892478042e+00 -2.844322354e+00 -1.330794187e+00 1.94 2.483311810e+00 -2.607622924e+00 9.097992230e-01 2.475394037e+00 2.467476263e+00 -2.501219241e+00 -1.870853704e+00 1.251536468e+00 -2.970898186e+00 -1.635130832e+00 1.96 1.808930355e+00 -2.879073067e+00 3.389053138e-01 1.801378082e+00 1.793825808e+00 -2.618736023e+00 -2.160331411e+00 6.609322917e-01 -3.080678974e+00 -1.911135181e+00 1.98 1.185693300e+00 -3.119873722e+00 -1.848417867e-01 1.178492001e+00 1.171290701e+00 -2.722924588e+00 -2.420468755e+00 1.175733182e-01 -3.174951414e+00 -2.160717587e+00 2.00 6.105396065e-01 -3.332283131e+00 -6.644348962e-01 6.036752556e-01 5.968109048e-01 -2.814670749e+00 -2.653338391e+00 -3.814618792e-01 -3.254916638e+00 -2.385672247e+00 2.02 8.057330770e-02 -3.518416073e+00 -1.102696844e+00 7.403236791e-02 6.749142812e-02 -2.894809659e+00 -2.860883113e+00 -8.389328391e-01 -3.321697263e+00 -2.587683995e+00 2.04 -4.069448934e-01 -3.680252321e+00 -1.502289547e+00 -4.131754865e-01 -4.194060796e-01 -2.964131064e+00 -3.044923568e+00 -1.257445658e+00 -3.377459336e+00 -2.768334706e+00 2.06 -8.546055949e-01 -3.819644612e+00 -1.865722600e+00 -8.605384460e-01 -8.664712970e-01 -3.029382108e+00 -3.207165516e+00 -1.639461001e+00 -3.428285942e+00 -2.929109324e+00 2.08 -1.264858294e+00 -3.938326179e+00 -2.195361449e+00 -1.270505561e+00 -1.276152828e+00 -3.127098312e+00 -3.349206684e+00 -1.987301717e+00 -3.463281113e+00 -3.071401549e+00 2.10 -1.640018598e+00 -4.037917851e+00 -2.493435124e+00 -1.645392006e+00 -1.650765414e+00 -3.187187306e+00 -3.472543202e+00 -2.303160073e+00 -3.488659627e+00 -3.196519188e+00 2.12 -1.982275089e+00 -4.119934759e+00 -2.762043594e+00 -1.987385943e+00 -1.992496796e+00 -3.219035414e+00 -3.578575687e+00 -2.589104616e+00 -3.505803338e+00 -3.305689198e+00 2.14 -2.293695851e+00 -4.185792660e+00 -3.003164726e+00 -2.298555046e+00 -2.303414242e+00 -3.243337971e+00 -3.668614960e+00 -2.847086697e+00 -3.512735739e+00 -3.400062442e+00 2.16 -2.576234667e+00 -4.236813904e+00 -3.218660897e+00 -2.580852705e+00 -2.585470744e+00 -3.260646312e+00 -3.743887436e+00 -3.078946658e+00 -3.512483681e+00 -3.480718163e+00 2.18 -2.831736923e+00 -4.274233060e+00 -3.410285260e+00 -2.836123922e+00 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