# 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 = Cr # 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 7.415980557e+02 nan nan nan nan 0.68 nan nan nan nan nan 6.908741430e+02 nan nan nan nan 0.70 nan nan nan nan nan 6.434102866e+02 nan nan 8.052432550e+02 nan 0.72 nan nan nan nan nan 5.990068315e+02 nan nan 7.448463087e+02 nan 0.74 nan nan nan nan nan 5.574758733e+02 nan nan 6.887594931e+02 nan 0.76 nan nan nan nan nan 5.186406019e+02 nan nan 6.366861161e+02 nan 0.78 nan 1.292906832e+03 nan nan nan 4.823346629e+02 9.852029727e+02 nan 5.883492862e+02 7.951734616e+02 0.80 nan 1.192425612e+03 nan nan nan 4.484015562e+02 9.124358082e+02 nan 5.434906812e+02 7.395875345e+02 0.82 nan 1.099366892e+03 nan nan nan 4.166940945e+02 8.447820610e+02 nan 5.018693633e+02 6.876687750e+02 0.84 nan 1.013204446e+03 1.290760932e+03 nan nan 3.870738496e+02 7.818954395e+02 nan 4.632606143e+02 6.391855240e+02 0.86 1.279335414e+03 9.334479753e+02 1.198350322e+03 1.279331986e+03 1.279328557e+03 3.594106205e+02 7.234524141e+02 1.203525685e+03 4.274548443e+02 5.939202465e+02 0.88 1.191715938e+03 8.596408506e+02 1.112221230e+03 1.191712418e+03 1.191708898e+03 3.335819637e+02 6.691507935e+02 1.119203294e+03 3.942566267e+02 5.516686947e+02 0.90 1.109766188e+03 7.913579285e+02 1.031963972e+03 1.109762574e+03 1.109758960e+03 3.094727519e+02 6.187082892e+02 1.040460136e+03 3.634837784e+02 5.122391140e+02 0.92 1.033135998e+03 7.282033279e+02 9.571946439e+02 1.033132288e+03 1.033128578e+03 2.869747556e+02 5.718612463e+02 9.669438187e+02 3.349664243e+02 4.754515181e+02 0.94 9.614958704e+02 6.698084481e+02 8.875535499e+02 9.614920619e+02 9.614882535e+02 2.659862221e+02 5.283634296e+02 8.983232737e+02 3.085461661e+02 4.411369537e+02 0.96 8.945358204e+02 6.158301772e+02 8.227037240e+02 8.945319114e+02 8.945280025e+02 2.464115104e+02 4.879849112e+02 8.342875600e+02 2.840753383e+02 4.091368541e+02 0.98 8.319643701e+02 5.659492630e+02 7.623295381e+02 8.319603584e+02 8.319563467e+02 2.281607732e+02 4.505110555e+02 7.745447120e+02 2.614163321e+02 3.793024696e+02 1.00 7.735074800e+02 5.198686276e+02 7.061353947e+02 7.735033633e+02 7.734992465e+02 2.111496186e+02 4.157414977e+02 7.188206175e+02 2.404409228e+02 3.514942746e+02 1.02 7.189075357e+02 4.773117905e+02 6.538444962e+02 7.189033116e+02 7.188990875e+02 1.952987896e+02 3.834892265e+02 6.668579583e+02 2.210296025e+02 3.255814164e+02 1.04 6.679223936e+02 4.380215028e+02 6.051976881e+02 6.679180598e+02 6.679137260e+02 1.805338602e+02 3.535797694e+02 6.184152346e+02 2.030710325e+02 3.014411878e+02 1.06 6.203244831e+02 4.017585656e+02 5.599523714e+02 6.203200373e+02 6.203155914e+02 1.667849514e+02 3.258503515e+02 5.732658846e+02 1.864615422e+02 2.789585192e+02 1.08 5.759000315e+02 3.683006210e+02 5.178814800e+02 5.758954712e+02 5.758909109e+02 1.539864875e+02 3.001491527e+02 5.311973282e+02 1.711046308e+02 2.580255521e+02 1.10 5.344482543e+02 3.374409989e+02 4.787725197e+02 5.344435771e+02 5.344389000e+02 1.420769408e+02 2.763345889e+02 4.920101106e+02 1.569104812e+02 2.385412003e+02 1.12 4.957804822e+02 3.089875662e+02 4.424266646e+02 4.957756858e+02 4.957708893e+02 1.309985540e+02 2.542746018e+02 4.555170901e+02 1.437954767e+02 2.204106812e+02 1.14 4.597194577e+02 2.827617871e+02 4.086579077e+02 4.597145396e+02 4.597096214e+02 1.206971184e+02 2.338460395e+02 4.215427119e+02 1.316817858e+02 2.035451357e+02 1.16 4.260986779e+02 2.585978610e+02 3.772922633e+02 4.260936355e+02 4.260885931e+02 1.111217663e+02 2.149341245e+02 3.899223245e+02 1.204969908e+02 1.878612721e+02 1.18 3.947617733e+02 2.363419348e+02 3.481670173e+02 3.947566041e+02 3.947514350e+02 1.022247765e+02 1.974318328e+02 3.605015340e+02 1.101737655e+02 1.732810193e+02 1.20 3.655619201e+02 2.158511945e+02 3.211300222e+02 3.655566218e+02 3.655513234e+02 9.396139100e+01 1.812393792e+02 3.331355661e+02 1.006494695e+02 1.597312242e+02 1.22 3.383612851e+02 1.969930346e+02 2.960390360e+02 3.383558550e+02 3.383504249e+02 8.628964023e+01 1.662637608e+02 3.076886394e+02 9.186581396e+01 1.471433619e+02 1.24 3.130304393e+02 1.796443502e+02 2.727611001e+02 3.130248748e+02 3.130193104e+02 7.917015793e+01 1.524182914e+02 2.840335052e+02 8.376855638e+01 1.354532246e+02 1.26 2.894478296e+02 1.636908810e+02 2.511719558e+02 2.894421284e+02 2.894364271e+02 7.256601471e+01 1.396221747e+02 2.620509405e+02 7.630722204e+01 1.246006395e+02 1.28 2.674994490e+02 1.490266621e+02 2.311554956e+02 2.674936083e+02 2.674877677e+02 6.644261711e+01 1.278001601e+02 2.416293018e+02 6.943488700e+01 1.145292884e+02 1.30 2.470783976e+02 1.355534784e+02 2.126032488e+02 2.470724150e+02 2.470664324e+02 6.076757045e+01 1.168821810e+02 2.226640640e+02 6.310794133e+01 1.051864750e+02 1.32 2.280844547e+02 1.231802319e+02 1.954138980e+02 2.280783276e+02 2.280722006e+02 5.551054457e+01 1.068029867e+02 2.050573816e+02 5.728585947e+01 9.652289828e+01 1.34 2.104236747e+02 1.118224201e+02 1.794928248e+02 2.104174006e+02 2.104111264e+02 5.064314864e+01 9.750178803e+01 1.887176765e+02 5.193096510e+01 8.849244226e+01 1.36 1.940080081e+02 1.014015858e+02 1.647516850e+02 1.940015844e+02 1.939951606e+02 4.613881075e+01 8.892204653e+01 1.735592513e+02 4.700820428e+01 8.105198926e+01 1.38 1.787549442e+02 9.184500413e+01 1.511080074e+02 1.787483684e+02 1.787417925e+02 4.197266548e+01 8.101117363e+01 1.595019460e+02 4.248503377e+01 7.416121769e+01 1.40 1.645871756e+02 8.308533345e+01 1.384848198e+02 1.645804451e+02 1.645737147e+02 3.812144922e+01 7.372025134e+01 1.464708650e+02 3.833125846e+01 6.778242033e+01 1.42 1.514323029e+02 7.506023511e+01 1.268102964e+02 1.514254153e+02 1.514185277e+02 3.456340853e+01 6.700379071e+01 1.343959656e+02 3.451887163e+01 6.188035147e+01 1.44 1.392226405e+02 6.771202962e+01 1.160174278e+02 1.392155933e+02 1.392085461e+02 3.127824180e+01 6.081953414e+01 1.232117610e+02 3.102192682e+01 5.642212507e+01 1.46 1.278948186e+02 6.098734580e+01 1.060437108e+02 1.278876093e+02 1.278804001e+02 2.824697270e+01 5.512819935e+01 1.128570046e+02 2.781636473e+01 5.137701163e+01 1.48 1.173894644e+02 5.483673553e+01 9.683085820e+01 1.173820907e+02 1.173747171e+02 2.545184968e+01 4.989325865e+01 1.032744126e+02 2.487986262e+01 4.671627519e+01 1.50 1.076509651e+02 4.921441926e+01 8.832452630e+01 1.076434246e+02 1.076358841e+02 2.287627245e+01 4.508074968e+01 9.441042174e+01 2.219171615e+01 4.241305148e+01 1.52 9.862724348e+01 4.407809624e+01 8.047405905e+01 9.861953386e+01 9.861182424e+01 2.050472258e+01 4.065912591e+01 8.621496258e+01 1.973272921e+01 3.844223313e+01 1.54 9.026954693e+01 3.938870007e+01 7.323224873e+01 9.026166592e+01 9.025378491e+01 1.832269797e+01 3.659913422e+01 7.864124444e+01 1.748512336e+01 3.478036054e+01 1.56 8.253224709e+01 3.511026032e+01 6.655511123e+01 8.252419250e+01 8.251613791e+01 1.631665102e+01 3.287356892e+01 7.164555288e+01 1.543248864e+01 3.140550686e+01 1.58 7.537265180e+01 3.120961965e+01 6.040167560e+01 7.536442149e+01 7.535619119e+01 1.447393037e+01 2.945713490e+01 6.518705778e+01 1.355962521e+01 2.829719036e+01 1.60 6.875082726e+01 2.765613870e+01 5.473378675e+01 6.874241919e+01 6.873401112e+01 1.278272585e+01 2.632633866e+01 5.922757101e+01 1.185243585e+01 2.543629584e+01 1.62 6.262943044e+01 2.442151292e+01 4.951592059e+01 6.262084264e+01 6.261225484e+01 1.123201668e+01 2.345936680e+01 5.373137991e+01 1.029785079e+01 2.280498872e+01 1.64 5.697351602e+01 2.147959972e+01 4.471501081e+01 5.696474662e+01 5.695597722e+01 9.811511082e+00 2.083596024e+01 4.866517118e+01 8.883748756e+00 2.038661658e+01 1.66 5.175029083e+01 1.880624958e+01 4.030028670e+01 5.174133806e+01 5.173238529e+01 8.511568078e+00 1.843727533e+01 4.399784908e+01 7.598867121e+00 1.816558470e+01 1.68 4.692911378e+01 1.637917834e+01 3.624312116e+01 4.691997599e+01 4.691083820e+01 7.323201077e+00 1.624583088e+01 3.970043557e+01 6.432775733e+00 1.612735472e+01 1.70 4.248140105e+01 1.417789193e+01 3.251688840e+01 4.247207672e+01 4.246275238e+01 6.238049612e+00 1.424542734e+01 3.574594525e+01 5.375832178e+00 1.425839616e+01 1.72 3.838049318e+01 1.218357392e+01 2.909683072e+01 3.837098092e+01 3.836146865e+01 5.248338293e+00 1.242105802e+01 3.210925371e+01 4.419124846e+00 1.254611919e+01 1.74 3.460153053e+01 1.037886741e+01 2.595993377e+01 3.459182910e+01 3.458212767e+01 4.346838372e+00 1.075882960e+01 2.876697441e+01 3.554416998e+00 1.097881173e+01 1.76 3.112133671e+01 8.747761099e+00 2.308480984e+01 3.111144504e+01 3.110155336e+01 3.526831841e+00 9.245822800e+00 2.569734344e+01 2.774098343e+00 9.545580765e+00 1.78 2.791830924e+01 7.275473971e+00 2.045158856e+01 2.790822642e+01 2.789814360e+01 2.782077811e+00 7.870045312e+00 2.288011182e+01 2.071110835e+00 8.236299778e+00 1.80 2.497231755e+01 5.948256849e+00 1.804181468e+01 2.496204288e+01 2.495176821e+01 2.106781124e+00 6.620441106e+00 2.029644523e+01 1.438877122e+00 7.041571678e+00 1.82 2.226460674e+01 4.753412831e+00 1.583835245e+01 2.225413971e+01 2.224367268e+01 1.495562978e+00 5.486803228e+00 1.792882954e+01 8.713340974e-01 5.952667032e+00 1.84 1.977770758e+01 3.679283256e+00 1.382529616e+01 1.976704791e+01 1.975638824e+01 9.434335099e-01 4.459698024e+00 1.576103272e+01 3.629045858e-01 4.961470797e+00 1.86 1.749535238e+01 2.715167748e+00 1.198788645e+01 1.748450003e+01 1.747364768e+01 4.457661624e-01 3.530409027e+00 1.377805747e+01 -9.153983923e-02 4.060441319e+00 1.88 1.540239960e+01 1.851250239e+00 1.031243212e+01 1.539135478e+01 1.538030996e+01 -1.725102409e-03 2.690885999e+00 1.196595666e+01 -4.967124093e-01 3.242573724e+00 1.90 1.348485618e+01 1.078542077e+00 8.786237001e+00 1.347361938e+01 1.346238259e+01 -4.029760721e-01 1.933728561e+00 1.031178446e+01 -8.569189567e-01 2.501412168e+00 1.92 1.172979631e+01 3.888167026e-01 7.397531565e+00 1.171836833e+01 1.170694034e+01 -7.615971646e-01 1.252137130e+00 8.803529650e+00 -1.176090418e+00 1.831010221e+00 1.94 1.012516911e+01 -2.254668279e-01 6.135409091e+00 1.011355103e+01 1.010193296e+01 -1.080935376e+00 6.398285403e-01 7.430014353e+00 -1.457841985e+00 1.225835702e+00 1.96 8.659737364e+00 -7.712820311e-01 4.989765964e+00 8.647930645e+00 8.636123925e+00 -1.364092574e+00 9.099696024e-02 6.180838629e+00 -1.705498470e+00 6.807410237e-01 1.98 7.323027079e+00 -1.255091739e+00 3.951245937e+00 7.311033522e+00 7.299039965e+00 -1.613940270e+00 -3.997201628e-01 5.046330713e+00 -1.922116062e+00 1.909388700e-01 2.00 6.105279779e+00 -1.682796130e+00 3.011188049e+00 6.093101579e+00 6.080923379e+00 -1.833133463e+00 -8.372736821e-01 4.017500185e+00 -2.110502511e+00 -2.480207430e-01 2.02 4.997407646e+00 -2.059772389e+00 2.161578026e+00 4.985047413e+00 4.972687179e+00 -2.024123609e+00 -1.226198622e+00 3.085993928e+00 -2.273235847e+00 -6.402720426e-01 2.04 3.990951186e+00 -2.390918292e+00 1.395002880e+00 3.978411971e+00 3.965872757e+00 -2.189170751e+00 -1.570611250e+00 2.244054679e+00 -2.412677191e+00 -9.896538331e-01 2.06 3.078039402e+00 -2.680637061e+00 7.046085545e-01 3.065324729e+00 3.052610057e+00 -2.330329688e+00 -1.874323592e+00 1.484482093e+00 -2.530930465e+00 -1.299728610e+00 2.08 2.251352250e+00 -2.932803565e+00 8.406038791e-02 2.238466146e+00 2.225580041e+00 -2.449362078e+00 -2.140890731e+00 8.005961312e-01 -2.629894798e+00 -1.573800558e+00 2.10 1.504085331e+00 -3.150943210e+00 -4.724937619e-01 1.491032356e+00 1.477979381e+00 -2.548315941e+00 -2.373599317e+00 1.862024571e-01 -2.711311713e+00 -1.814932467e+00 2.12 8.299166431e-01 -3.338283748e+00 -9.704579202e-01 8.167019284e-01 8.034872137e-01 -2.628752049e+00 -2.575481220e+00 -3.644880650e-01 -2.776791157e+00 -2.025961635e+00 2.14 2.229753164e-01 -3.497778729e+00 -1.414820073e+00 2.096045988e-01 1.962338812e-01 -2.692043343e+00 -2.749331607e+00 -8.569368916e-01 -2.827823997e+00 -2.209514822e+00 2.16 -3.221877910e-01 -3.632129208e+00 -1.810182071e+00 -3.357081308e-01 -3.492284706e-01 -2.739516830e+00 -2.897725822e+00 -1.296194008e+00 -2.865769581e+00 -2.368022285e+00 2.18 -8.106640872e-01 -3.743808375e+00 -2.160787510e+00 -8.243269843e-01 -8.379898813e-01 -2.772387268e+00 -3.023047258e+00 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