# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Cr-Mn # implementation = 2017--Choi-W-M--Cr-Mn--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 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 5.990068315e+02 nan nan nan nan 0.74 nan nan nan nan nan 5.574758733e+02 nan nan nan nan 0.76 nan nan nan nan nan 5.186406019e+02 nan nan 6.366861161e+02 nan 0.78 nan nan nan nan nan 4.823346629e+02 nan nan 5.883492861e+02 nan 0.80 nan nan nan nan nan 4.484015562e+02 nan nan 5.434906812e+02 nan 0.82 nan nan nan nan nan 4.166940945e+02 nan nan 5.018693633e+02 nan 0.84 nan 1.013204446e+03 nan nan nan 3.870738496e+02 7.818954395e+02 nan 4.632606142e+02 6.391855239e+02 0.86 nan 9.334479753e+02 nan nan nan 3.594106205e+02 7.234524141e+02 nan 4.274548443e+02 5.939202465e+02 0.88 nan 8.596408505e+02 nan nan nan 3.335819637e+02 6.691507934e+02 nan 3.942566267e+02 5.516686947e+02 0.90 nan 7.913579285e+02 nan nan nan 3.094727519e+02 6.187082892e+02 nan 3.634837784e+02 5.122391141e+02 0.92 nan 7.282033279e+02 9.571946439e+02 nan nan 2.869747556e+02 5.718612463e+02 9.669438186e+02 3.349664243e+02 4.754515181e+02 0.94 9.614958704e+02 6.698084480e+02 8.875535500e+02 9.614920620e+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 4.879849111e+02 8.342875600e+02 2.840753383e+02 4.091368541e+02 0.98 8.319643702e+02 5.659492630e+02 7.623295381e+02 8.319603585e+02 8.319563468e+02 2.281607733e+02 4.505110555e+02 7.745447121e+02 2.614163321e+02 3.793024696e+02 1.00 7.735074801e+02 5.198686276e+02 7.061353948e+02 7.735033633e+02 7.734992466e+02 2.111496186e+02 4.157414977e+02 7.188206175e+02 2.404409228e+02 3.514942746e+02 1.02 7.189075357e+02 4.773117905e+02 6.538444963e+02 7.189033116e+02 7.188990875e+02 1.952987896e+02 3.834892265e+02 6.668579582e+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 6.184152345e+02 2.030710325e+02 3.014411878e+02 1.06 6.203244831e+02 4.017585656e+02 5.599523713e+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 4.597145395e+02 4.597096213e+02 1.206971184e+02 2.338460395e+02 4.215427118e+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 1.878612720e+02 1.18 3.947617732e+02 2.363419348e+02 3.481670172e+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 3.655566217e+02 3.655513234e+02 9.396139099e+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 8.628964022e+01 1.662637608e+02 3.076886394e+02 9.186581395e+01 1.471433619e+02 1.24 3.130304392e+02 1.796443502e+02 2.727611001e+02 3.130248748e+02 3.130193104e+02 7.917015792e+01 1.524182913e+02 2.840335051e+02 8.376855637e+01 1.354532246e+02 1.26 2.894478296e+02 1.636908810e+02 2.511719558e+02 2.894421284e+02 2.894364271e+02 7.256601470e+01 1.396221747e+02 2.620509405e+02 7.630722203e+01 1.246006395e+02 1.28 2.674994489e+02 1.490266621e+02 2.311554956e+02 2.674936083e+02 2.674877677e+02 6.644261710e+01 1.278001600e+02 2.416293018e+02 6.943488699e+01 1.145292884e+02 1.30 2.470783976e+02 1.355534784e+02 2.126032488e+02 2.470724150e+02 2.470664324e+02 6.076757044e+01 1.168821810e+02 2.226640640e+02 6.310794133e+01 1.051864750e+02 1.32 2.280844547e+02 1.231802319e+02 1.954138979e+02 2.280783276e+02 2.280722005e+02 5.551054456e+01 1.068029867e+02 2.050573816e+02 5.728585947e+01 9.652289827e+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 1.647516849e+02 1.940015843e+02 1.939951606e+02 4.613881074e+01 8.892204652e+01 1.735592513e+02 4.700820428e+01 8.105198925e+01 1.38 1.787549442e+02 9.184500413e+01 1.511080074e+02 1.787483684e+02 1.787417925e+02 4.197266548e+01 8.101117362e+01 1.595019460e+02 4.248503377e+01 7.416121769e+01 1.40 1.645871756e+02 8.308533345e+01 1.384848198e+02 1.645804452e+02 1.645737147e+02 3.812144922e+01 7.372025134e+01 1.464708650e+02 3.833125846e+01 6.778242034e+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 6.771202961e+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 1.278876094e+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 1.173820908e+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 9.862724349e+01 4.407809623e+01 8.047405905e+01 9.861953387e+01 9.861182425e+01 2.050472258e+01 4.065912592e+01 8.621496257e+01 1.973272921e+01 3.844223314e+01 1.54 9.026954692e+01 3.938870007e+01 7.323224873e+01 9.026166592e+01 9.025378491e+01 1.832269797e+01 3.659913422e+01 7.864124443e+01 1.748512336e+01 3.478036053e+01 1.56 8.253224710e+01 3.511026032e+01 6.655511123e+01 8.252419251e+01 8.251613791e+01 1.631665102e+01 3.287356892e+01 7.164555289e+01 1.543248864e+01 3.140550686e+01 1.58 7.537265179e+01 3.120961965e+01 6.040167560e+01 7.536442149e+01 7.535619118e+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 6.262943046e+01 2.442151292e+01 4.951592061e+01 6.262084266e+01 6.261225486e+01 1.123201669e+01 2.345936680e+01 5.373137992e+01 1.029785080e+01 2.280498873e+01 1.64 5.697351602e+01 2.147959972e+01 4.471501080e+01 5.696474662e+01 5.695597722e+01 9.811511080e+00 2.083596024e+01 4.866517117e+01 8.883748755e+00 2.038661658e+01 1.66 5.175029082e+01 1.880624958e+01 4.030028670e+01 5.174133805e+01 5.173238528e+01 8.511568077e+00 1.843727533e+01 4.399784908e+01 7.598867120e+00 1.816558470e+01 1.68 4.692911377e+01 1.637917834e+01 3.624312116e+01 4.691997598e+01 4.691083820e+01 7.323201075e+00 1.624583088e+01 3.970043557e+01 6.432775731e+00 1.612735471e+01 1.70 4.248140104e+01 1.417789193e+01 3.251688839e+01 4.247207671e+01 4.246275238e+01 6.238049611e+00 1.424542733e+01 3.574594525e+01 5.375832177e+00 1.425839616e+01 1.72 3.838049317e+01 1.218357391e+01 2.909683071e+01 3.837098091e+01 3.836146865e+01 5.248338291e+00 1.242105802e+01 3.210925371e+01 4.419124844e+00 1.254611919e+01 1.74 3.460153053e+01 1.037886741e+01 2.595993377e+01 3.459182910e+01 3.458212767e+01 4.346838371e+00 1.075882960e+01 2.876697440e+01 3.554416997e+00 1.097881173e+01 1.76 3.112133671e+01 8.747761091e+00 2.308480984e+01 3.111144503e+01 3.110155336e+01 3.526831839e+00 9.245822797e+00 2.569734343e+01 2.774098337e+00 9.545580762e+00 1.78 2.791830924e+01 7.275473971e+00 2.045158856e+01 2.790822642e+01 2.789814360e+01 2.782077810e+00 7.870045311e+00 2.288011181e+01 2.071110834e+00 8.236299777e+00 1.80 2.497231755e+01 5.948256848e+00 1.804181468e+01 2.496204287e+01 2.495176820e+01 2.106781122e+00 6.620441104e+00 2.029644523e+01 1.438877121e+00 7.041571676e+00 1.82 2.226460674e+01 4.753412831e+00 1.583835245e+01 2.225413971e+01 2.224367267e+01 1.495562977e+00 5.486803227e+00 1.792882953e+01 8.713340970e-01 5.952667031e+00 1.84 1.977770758e+01 3.679283255e+00 1.382529616e+01 1.976704791e+01 1.975638824e+01 9.434335091e-01 4.459698023e+00 1.576103272e+01 3.629045852e-01 4.961470796e+00 1.86 1.749535238e+01 2.715167748e+00 1.198788645e+01 1.748450003e+01 1.747364768e+01 4.457661622e-01 3.530409027e+00 1.377805747e+01 -9.153983952e-02 4.060441319e+00 1.88 1.540239960e+01 1.851250239e+00 1.031243212e+01 1.539135478e+01 1.538030996e+01 -1.725101887e-03 2.690885999e+00 1.196595666e+01 -4.967124089e-01 3.242573725e+00 1.90 1.348485618e+01 1.078542078e+00 8.786237001e+00 1.347361938e+01 1.346238259e+01 -4.029760722e-01 1.933728561e+00 1.031178446e+01 -8.569189568e-01 2.501412168e+00 1.92 1.172979631e+01 3.888167024e-01 7.397531565e+00 1.171836833e+01 1.170694034e+01 -7.615971642e-01 1.252137130e+00 8.803529651e+00 -1.176090417e+00 1.831010222e+00 1.94 1.012516911e+01 -2.254668285e-01 6.135409091e+00 1.011355103e+01 1.010193296e+01 -1.080935376e+00 6.398285401e-01 7.430014354e+00 -1.457841985e+00 1.225835702e+00 1.96 8.659737365e+00 -7.712820314e-01 4.989765965e+00 8.647930646e+00 8.636123927e+00 -1.364092574e+00 9.099696098e-02 6.180838629e+00 -1.705498470e+00 6.807410245e-01 1.98 7.323027079e+00 -1.255091739e+00 3.951245937e+00 7.311033522e+00 7.299039965e+00 -1.613940270e+00 -3.997201628e-01 5.046330712e+00 -1.922116062e+00 1.909388700e-01 2.00 6.105279780e+00 -1.682796130e+00 3.011188049e+00 6.093101581e+00 6.080923381e+00 -1.833133462e+00 -8.372736826e-01 4.017500185e+00 -2.110502511e+00 -2.480207423e-01 2.02 4.997407646e+00 -2.059772389e+00 2.161578026e+00 4.985047413e+00 4.972687179e+00 -2.024123609e+00 -1.226198622e+00 3.085993927e+00 -2.273235848e+00 -6.402720426e-01 2.04 3.990951187e+00 -2.390918294e+00 1.395002880e+00 3.978411972e+00 3.965872757e+00 -2.189170762e+00 -1.570611253e+00 2.244054679e+00 -2.412677733e+00 -9.896538327e-01 2.06 3.078039402e+00 -2.680637061e+00 7.046085543e-01 3.065324729e+00 3.052610056e+00 -2.330354935e+00 -1.874323592e+00 1.484482094e+00 -2.530934574e+00 -1.299728610e+00 2.08 2.251352250e+00 -2.932803565e+00 8.406038787e-02 2.238466146e+00 2.225580041e+00 -2.449586740e+00 -2.140890731e+00 8.005961314e-01 -2.629899807e+00 -1.573800558e+00 2.10 1.504085331e+00 -3.150943210e+00 -4.724937621e-01 1.491032356e+00 1.477979381e+00 -2.548617370e+00 -2.373599317e+00 1.862024425e-01 -2.711319532e+00 -1.814932467e+00 2.12 8.299166425e-01 -3.338283748e+00 -9.704579207e-01 8.167019278e-01 8.034872131e-01 -2.629047996e+00 -2.575481220e+00 -3.644880658e-01 -2.776803816e+00 -2.025961635e+00 2.14 2.229753160e-01 -3.497778729e+00 -1.414820073e+00 2.096045985e-01 1.962338809e-01 -2.692338660e+00 -2.749331607e+00 -8.569368922e-01 -2.827835899e+00 -2.209514822e+00 2.16 -3.221877446e-01 -3.632129203e+00 -1.810182040e+00 -3.357080844e-01 -3.492284242e-01 -2.739816769e+00 -2.897725807e+00 -1.296193993e+00 -2.865780784e+00 -2.368022262e+00 2.18 -8.106640877e-01 -3.743808375e+00 -2.160787511e+00 -8.243269848e-01 -8.379898819e-01 -2.772697528e+00 -3.023047258e+00 -1.686923799e+00 -2.891902427e+00 -2.503749147e+00 2.20 -1.247323729e+00 -3.835093936e+00 -2.470547703e+00 -1.261121391e+00 -1.274919054e+00 -2.792128773e+00 -3.127538895e+00 -2.033470898e+00 -2.907398759e+00 -2.618863022e+00 2.22 -1.636696574e+00 -3.908067367e+00 -2.743065877e+00 -1.650620439e+00 -1.664544304e+00 -2.799151571e+00 -3.213269202e+00 -2.339839411e+00 -2.913372955e+00 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