# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Jeong-G-U-Park-C-S-Do-H-S-et-al--Pd-Co # implementation = 2018--Jeong-G-U--Pd-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 1.503675289e+02 nan nan nan nan 0.74 nan nan nan nan nan 1.407810529e+02 nan nan nan nan 0.76 nan nan nan nan nan 1.317758129e+02 nan nan 2.055791491e+02 nan 0.78 nan nan nan nan nan 1.233157366e+02 nan nan 1.912465365e+02 nan 0.80 nan nan nan nan nan 1.153671302e+02 nan nan 1.778488602e+02 nan 0.82 nan nan nan nan nan 1.078985111e+02 nan nan 1.653264699e+02 nan 0.84 nan 2.704232273e+02 nan nan nan 1.008804524e+02 2.547423107e+02 nan 1.536235065e+02 2.201079181e+02 0.86 nan 2.526343483e+02 nan nan nan 9.428543876e+01 2.380125110e+02 nan 1.426876602e+02 2.058084858e+02 0.88 nan 2.359099524e+02 nan nan nan 8.808773387e+01 2.222989250e+02 nan 1.324699445e+02 1.923740552e+02 0.90 nan 2.201899228e+02 nan nan nan 8.226325649e+01 2.075421726e+02 nan 1.229244849e+02 1.797536969e+02 0.92 nan 2.054173978e+02 2.720080401e+02 nan nan 7.678946633e+01 1.936862685e+02 2.649036005e+02 1.140083199e+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 1.056812163e+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 9.790549511e+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 9.064586909e+01 1.364949208e+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 8.386929059e+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 7.754480915e+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 7.164343809e+01 1.105100494e+02 1.06 1.815486944e+02 1.243722896e+02 1.736851124e+02 1.815000881e+02 1.814514818e+02 4.667682966e+01 1.178451952e+02 1.705172824e+02 6.613802968e+01 1.028917045e+02 1.08 1.704868768e+02 1.154710432e+02 1.626132967e+02 1.704399870e+02 1.703930973e+02 4.335035518e+01 1.095295217e+02 1.598410035e+02 6.100315836e+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 5.621501124e+01 8.903924148e+01 1.12 1.501385134e+02 9.930661368e+01 1.423229097e+02 1.500949096e+02 1.500513058e+02 3.729151743e+01 9.443152890e+01 1.402431934e+02 5.175128579e+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 4.759109391e+01 7.685449337e+01 1.16 1.319594938e+02 8.511928781e+01 1.242888678e+02 1.319189857e+02 1.318784775e+02 3.194933949e+01 8.118032370e+01 1.227851525e+02 4.371487219e+01 7.132655536e+01 1.18 1.236147579e+02 7.869579302e+01 1.160435587e+02 1.235757285e+02 1.235366990e+02 2.952121072e+01 7.517946980e+01 1.147891712e+02 4.010429788e+01 6.614522289e+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 3.674221025e+01 6.128985459e+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 3.361253689e+01 5.674101647e+01 1.24 1.012614063e+02 6.180096082e+01 9.407279615e+01 1.012265476e+02 1.011916888e+02 2.309920979e+01 5.938699031e+01 9.343306693e+01 3.070022479e+01 5.248041149e+01 1.26 9.462810755e+01 5.688463904e+01 8.758945423e+01 9.459455365e+01 9.456099976e+01 2.121869135e+01 5.478725496e+01 8.711547841e+01 2.799117577e+01 4.849081334e+01 1.28 8.836860735e+01 5.229085337e+01 8.148861018e+01 8.833631719e+01 8.830402703e+01 1.945578340e+01 5.048671086e+01 8.116323054e+01 2.547218600e+01 4.475600397e+01 1.30 8.246340110e+01 4.800030877e+01 7.574942796e+01 8.243233450e+01 8.240126789e+01 1.780366114e+01 4.646726555e+01 7.555679668e+01 2.313088943e+01 4.126071486e+01 1.32 7.689395537e+01 4.399480112e+01 7.035215043e+01 7.686407307e+01 7.683419077e+01 1.625589770e+01 4.271188199e+01 7.027764533e+01 2.095570479e+01 3.799057167e+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 1.893578591e+01 3.493204216e+01 1.36 6.669278861e+01 3.677118263e+01 6.050935483e+01 6.666516093e+01 6.663753325e+01 1.344958373e+01 3.593007023e+01 6.063174735e+01 1.706097530e+01 3.207238710e+01 1.38 6.202844583e+01 3.352160070e+01 5.602924552e+01 6.200189031e+01 6.197533480e+01 1.217995626e+01 3.287431853e+01 5.623248297e+01 1.532176062e+01 2.939961408e+01 1.40 5.763453697e+01 3.049401005e+01 5.182176327e+01 5.760901810e+01 5.758349923e+01 1.099249236e+01 3.002387716e+01 5.209537878e+01 1.370923389e+01 2.690243403e+01 1.42 5.349672435e+01 2.767483290e+01 4.787178859e+01 5.347220750e+01 5.344769064e+01 9.882417765e+00 2.736614600e+01 4.820618784e+01 1.221505335e+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 4.455139703e+01 1.083140769e+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 9.550982611e+00 2.036126715e+01 1.48 4.248709644e+01 2.034343898e+01 3.742736812e+01 4.246538690e+01 4.244367737e+01 6.972786296e+00 2.043406996e+01 3.789441499e+01 8.366929410e+00 1.846625020e+01 1.50 3.924420022e+01 1.823709465e+01 3.437149593e+01 3.922336315e+01 3.920252608e+01 6.129749340e+00 1.843536809e+01 3.486854684e+01 7.272835646e+00 1.669957776e+01 1.52 3.619585353e+01 1.628214109e+01 3.150865488e+01 3.617585870e+01 3.615586388e+01 5.344015831e+00 1.657667024e+01 3.202966049e+01 6.262697616e+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 5.330894586e+00 1.352032685e+01 1.56 3.064132717e+01 1.278895827e+01 2.631894909e+01 3.062292956e+01 3.060453196e+01 3.931207743e+00 1.324481265e+01 2.687194367e+01 4.472164646e+00 1.209340707e+01 1.58 2.811571652e+01 1.123335982e+01 2.397194767e+01 2.809807554e+01 2.808043455e+01 3.297970714e+00 1.175568322e+01 2.453399086e+01 3.681582100e+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 2.954536273e+00 9.532239455e+00 1.62 2.352288614e+01 8.464478147e+00 1.972727155e+01 2.350667845e+01 2.349047076e+01 2.163703719e+00 9.094597727e+00 2.029578295e+01 2.286711666e+00 8.386041118e+00 1.64 2.143906635e+01 7.236711569e+00 1.781252027e+01 2.142353690e+01 2.140800745e+01 1.657493990e+00 7.909359026e+00 1.837925650e+01 1.674069360e+00 7.322050911e+00 1.66 1.948661689e+01 6.104448452e+00 1.602553634e+01 1.947174108e+01 1.945686528e+01 1.188687863e+00 6.812792321e+00 1.658764407e+01 1.112829590e+00 6.335140301e+00 1.68 1.765826664e+01 5.061475666e+00 1.435888727e+01 1.764402064e+01 1.762977464e+01 7.550445913e-01 5.799208671e+00 1.491384270e+01 5.994554206e-01 5.420484482e+00 1.70 1.594711996e+01 4.101950425e+00 1.280554248e+01 1.593348065e+01 1.591984133e+01 3.544490578e-01 4.863260855e+00 1.335112547e+01 1.306374487e-01 4.573544693e+00 1.72 1.434663809e+01 3.220379360e+00 1.135885256e+01 1.433358307e+01 1.432052804e+01 -1.509529728e-02 3.999923503e+00 1.189312237e+01 -2.967205295e-01 3.790051568e+00 1.74 1.285062152e+01 2.411598747e+00 1.001252963e+01 1.283812907e+01 1.282563663e+01 -3.554731240e-01 3.204474354e+00 1.053380227e+01 -6.855149513e-01 3.065989452e+00 1.76 1.145319309e+01 1.670755793e+00 8.760628534e+00 1.144124221e+01 1.142929133e+01 -6.684634189e-01 2.472476598e+00 9.267455666e+00 -1.038455074e+00 2.397581625e+00 1.78 1.014878207e+01 9.932909587e-01 7.597529149e+00 1.013735240e+01 1.012592273e+01 -9.557454124e-01 1.799762216e+00 8.088678316e+00 -1.358074770e+00 1.781276387e+00 1.80 8.932108816e+00 3.749212287e-01 6.517919437e+00 8.921180652e+00 8.910252489e+00 -1.218904112e+00 1.182416284e+00 6.992355674e+00 -1.646743585e+00 1.213733956e+00 1.82 7.798170330e+00 -1.883756849e-01 5.516779422e+00 7.787724610e+00 7.777278889e+00 -1.459435525e+00 6.167621692e-01 5.973648103e+00 -1.906677092e+00 6.918141140e-01 1.84 6.742226419e+00 -7.003762912e-01 4.589365945e+00 6.732244695e+00 6.722262972e+00 -1.678751574e+00 9.934758307e-02 5.027976814e+00 -2.139946609e+00 2.125645830e-01 1.86 5.759786555e+00 -1.164625432e+00 3.731198187e+00 5.750250989e+00 5.740715423e+00 -1.878184736e+00 -3.730685730e-01 4.151010495e+00 -2.348488294e+00 -2.267899335e-01 1.88 4.846597375e+00 -1.584449633e+00 2.938043924e+00 4.837490715e+00 4.828384055e+00 -2.058992412e+00 -8.035286017e-01 3.338652612e+00 -2.534111678e+00 -6.288580690e-01 1.90 3.998630775e+00 -1.962969702e+00 2.205906471e+00 3.989936345e+00 3.981241916e+00 -2.222361047e+00 -1.194887694e+00 2.587029329e+00 -2.698507662e+00 -9.960915167e-01 1.92 3.212072587e+00 -2.303112647e+00 1.531012291e+00 3.203774271e+00 3.195475956e+00 -2.369410685e+00 -1.549824939e+00 1.892478042e+00 -2.843256007e+00 -1.330794186e+00 1.94 2.483311810e+00 -2.607622924e+00 9.097992227e-01 2.475394037e+00 2.467476263e+00 -2.501211042e+00 -1.870853704e+00 1.251536468e+00 -2.969832365e+00 -1.635130832e+00 1.96 1.808930356e+00 -2.879073067e+00 3.389053144e-01 1.801378083e+00 1.793825809e+00 -2.618736023e+00 -2.160331410e+00 6.609322920e-01 -3.079614861e+00 -1.911135181e+00 1.98 1.185693300e+00 -3.119873722e+00 -1.848417866e-01 1.178492001e+00 1.171290701e+00 -2.722924588e+00 -2.420468755e+00 1.175733178e-01 -3.173890282e+00 -2.160717587e+00 2.00 6.105396072e-01 -3.332283131e+00 -6.644348959e-01 6.036752564e-01 5.968109055e-01 -2.814670748e+00 -2.653338391e+00 -3.814618792e-01 -3.253859816e+00 -2.385672247e+00 2.02 8.057330768e-02 -3.518416073e+00 -1.102696845e+00 7.403236789e-02 6.749142811e-02 -2.894809659e+00 -2.860883113e+00 -8.389328395e-01 -3.320644514e+00 -2.587683995e+00 2.04 -4.069448930e-01 -3.680252321e+00 -1.502289547e+00 -4.131754861e-01 -4.194060792e-01 -2.964128570e+00 -3.044923567e+00 -1.257445658e+00 -3.375290403e+00 -2.768334706e+00 2.06 -8.546055950e-01 -3.819644612e+00 -1.865722600e+00 -8.605384460e-01 -8.664712971e-01 -3.023369436e+00 -3.207165516e+00 -1.639461000e+00 -3.418773207e+00 -2.929109325e+00 2.08 -1.264858294e+00 -3.938326179e+00 -2.195361449e+00 -1.270505561e+00 -1.276152828e+00 -3.073231374e+00 -3.349206684e+00 -1.987301717e+00 -3.452002832e+00 -3.071401549e+00 2.10 -1.640018598e+00 -4.037917851e+00 -2.493435124e+00 -1.645392006e+00 -1.650765414e+00 -3.114372994e+00 -3.472543202e+00 -2.303160073e+00 -3.475827562e+00 -3.196519188e+00 2.12 -1.982275090e+00 -4.119934759e+00 -2.762043594e+00 -1.987385943e+00 -1.992496796e+00 -3.147414601e+00 -3.578575687e+00 -2.589104617e+00 -3.491037980e+00 -3.305689198e+00 2.14 -2.293695851e+00 -4.185792661e+00 -3.003164726e+00 -2.298555047e+00 -2.303414242e+00 -3.172940272e+00 -3.668614960e+00 -2.847086697e+00 -3.498370660e+00 -3.400062442e+00 2.16 -2.576234668e+00 -4.236813904e+00 -3.218660897e+00 -2.580852706e+00 -2.585470744e+00 -3.191499831e+00 -3.743887436e+00 -3.078946659e+00 -3.498511612e+00 -3.480718163e+00 2.18 -2.831736923e+00 -4.274233060e+00 -3.410285260e+00 -2.836123923e+00 -2.840510922e+00 -3.203610707e+00 -3.805540202e+00 -3.286419718e+00 -3.492099528e+00 -3.548668205e+00 2.20 -3.061945208e+00 -4.299202223e+00 -3.579687685e+00 -3.066110914e+00 -3.070276621e+00 -3.209759702e+00 -3.854645796e+00 -3.471141544e+00 -3.479728811e+00 -3.604860982e+00 2.22 -3.268504645e+00 -4.312796023e+00 -3.728420394e+00 -3.272458445e+00 -3.276412245e+00 -3.210404657e+00 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