# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Cr # implementation = 2017--Wu-C--Ni-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 7.415980524e+02 nan nan nan nan 0.68 nan nan nan nan nan 6.908741400e+02 nan nan nan nan 0.70 nan nan nan nan nan 6.434102838e+02 nan nan 8.052432517e+02 nan 0.72 nan nan nan nan nan 5.990068289e+02 nan nan 7.448463057e+02 nan 0.74 nan nan nan nan nan 5.574758709e+02 nan nan 6.887594904e+02 nan 0.76 nan nan nan nan nan 5.186405996e+02 nan nan 6.366861135e+02 nan 0.78 nan 1.292906828e+03 nan nan nan 4.823346609e+02 9.852029690e+02 nan 5.883492838e+02 7.951734584e+02 0.80 nan 1.192425608e+03 nan nan nan 4.484015543e+02 9.124358048e+02 nan 5.434906791e+02 7.395875315e+02 0.82 nan 1.099366888e+03 nan nan nan 4.166940927e+02 8.447820579e+02 nan 5.018693613e+02 6.876687723e+02 0.84 nan 1.013204442e+03 1.290760928e+03 nan nan 3.870738479e+02 7.818954366e+02 nan 4.632606125e+02 6.391855214e+02 0.86 1.279335409e+03 9.334479722e+02 1.198350318e+03 1.279331981e+03 1.279328553e+03 3.594106190e+02 7.234524115e+02 1.203525680e+03 4.274548427e+02 5.939202442e+02 0.88 1.191715934e+03 8.596408477e+02 1.112221226e+03 1.191712414e+03 1.191708894e+03 3.335819623e+02 6.691507910e+02 1.119203290e+03 3.942566252e+02 5.516686926e+02 0.90 1.109766184e+03 7.913579259e+02 1.031963969e+03 1.109762570e+03 1.109758956e+03 3.094727506e+02 6.187082869e+02 1.040460132e+03 3.634837770e+02 5.122391121e+02 0.92 1.033135995e+03 7.282033255e+02 9.571946407e+02 1.033132284e+03 1.033128574e+03 2.869747544e+02 5.718612443e+02 9.669438153e+02 3.349664231e+02 4.754515162e+02 0.94 9.614958670e+02 6.698084459e+02 8.875535469e+02 9.614920586e+02 9.614882502e+02 2.659862210e+02 5.283634278e+02 8.983232706e+02 3.085461649e+02 4.411369520e+02 0.96 8.945358173e+02 6.158301752e+02 8.227037212e+02 8.945319084e+02 8.945279994e+02 2.464115094e+02 4.879849094e+02 8.342875571e+02 2.840753372e+02 4.091368526e+02 0.98 8.319643673e+02 5.659492612e+02 7.623295356e+02 8.319603556e+02 8.319563439e+02 2.281607723e+02 4.505110539e+02 7.745447094e+02 2.614163311e+02 3.793024682e+02 1.00 7.735074774e+02 5.198686260e+02 7.061353924e+02 7.735033607e+02 7.734992439e+02 2.111496178e+02 4.157414962e+02 7.188206151e+02 2.404409218e+02 3.514942732e+02 1.02 7.189075333e+02 4.773117891e+02 6.538444941e+02 7.189033092e+02 7.188990851e+02 1.952987888e+02 3.834892252e+02 6.668579560e+02 2.210296016e+02 3.255814152e+02 1.04 6.679223914e+02 4.380215015e+02 6.051976861e+02 6.679180576e+02 6.679137238e+02 1.805338595e+02 3.535797682e+02 6.184152325e+02 2.030710317e+02 3.014411867e+02 1.06 6.203244811e+02 4.017585644e+02 5.599523696e+02 6.203200352e+02 6.203155894e+02 1.667849507e+02 3.258503504e+02 5.732658827e+02 1.864615415e+02 2.789585181e+02 1.08 5.759000296e+02 3.683006199e+02 5.178814783e+02 5.758954693e+02 5.758909090e+02 1.539864868e+02 3.001491517e+02 5.311973265e+02 1.711046301e+02 2.580255511e+02 1.10 5.344482526e+02 3.374409979e+02 4.787725182e+02 5.344435754e+02 5.344388983e+02 1.420769402e+02 2.763345880e+02 4.920101090e+02 1.569104806e+02 2.385411994e+02 1.12 4.957804806e+02 3.089875652e+02 4.424266632e+02 4.957756842e+02 4.957708878e+02 1.309985534e+02 2.542746009e+02 4.555170886e+02 1.437954762e+02 2.204106804e+02 1.14 4.597194563e+02 2.827617863e+02 4.086579064e+02 4.597145381e+02 4.597096199e+02 1.206971179e+02 2.338460387e+02 4.215427105e+02 1.316817853e+02 2.035451350e+02 1.16 4.260986766e+02 2.585978602e+02 3.772922621e+02 4.260936341e+02 4.260885917e+02 1.111217658e+02 2.149341238e+02 3.899223233e+02 1.204969903e+02 1.878612714e+02 1.18 3.947617720e+02 2.363419341e+02 3.481670162e+02 3.947566029e+02 3.947514338e+02 1.022247761e+02 1.974318321e+02 3.605015329e+02 1.101737651e+02 1.732810187e+02 1.20 3.655619190e+02 2.158511939e+02 3.211300212e+02 3.655566206e+02 3.655513223e+02 9.396139062e+01 1.812393786e+02 3.331355651e+02 1.006494692e+02 1.597312236e+02 1.22 3.383612841e+02 1.969930340e+02 2.960390351e+02 3.383558540e+02 3.383504238e+02 8.628963988e+01 1.662637602e+02 3.076886384e+02 9.186581362e+01 1.471433614e+02 1.24 3.130304383e+02 1.796443497e+02 2.727610993e+02 3.130248739e+02 3.130193095e+02 7.917015761e+01 1.524182909e+02 2.840335043e+02 8.376855608e+01 1.354532241e+02 1.26 2.894478288e+02 1.636908805e+02 2.511719551e+02 2.894421275e+02 2.894364263e+02 7.256601442e+01 1.396221743e+02 2.620509397e+02 7.630722176e+01 1.246006390e+02 1.28 2.674994482e+02 1.490266617e+02 2.311554950e+02 2.674936075e+02 2.674877669e+02 6.644261684e+01 1.278001597e+02 2.416293011e+02 6.943488675e+01 1.145292880e+02 1.30 2.470783969e+02 1.355534780e+02 2.126032482e+02 2.470724143e+02 2.470664317e+02 6.076757020e+01 1.168821807e+02 2.226640634e+02 6.310794110e+01 1.051864746e+02 1.32 2.280844540e+02 1.231802315e+02 1.954138974e+02 2.280783270e+02 2.280721999e+02 5.551054435e+01 1.068029864e+02 2.050573810e+02 5.728585926e+01 9.652289795e+01 1.34 2.104236741e+02 1.118224198e+02 1.794928243e+02 2.104173999e+02 2.104111258e+02 5.064314844e+01 9.750178773e+01 1.887176760e+02 5.193096491e+01 8.849244196e+01 1.36 1.940080075e+02 1.014015856e+02 1.647516845e+02 1.940015838e+02 1.939951601e+02 4.613881056e+01 8.892204625e+01 1.735592508e+02 4.700820411e+01 8.105198897e+01 1.38 1.787549437e+02 9.184500389e+01 1.511080070e+02 1.787483679e+02 1.787417920e+02 4.197266531e+01 8.101117337e+01 1.595019455e+02 4.248503361e+01 7.416121743e+01 1.40 1.645871751e+02 8.308533323e+01 1.384848194e+02 1.645804447e+02 1.645737142e+02 3.812144906e+01 7.372025111e+01 1.464708646e+02 3.833125832e+01 6.778242009e+01 1.42 1.514323025e+02 7.506023492e+01 1.268102961e+02 1.514254149e+02 1.514185273e+02 3.456340839e+01 6.700379050e+01 1.343959653e+02 3.451887150e+01 6.188035126e+01 1.44 1.392226401e+02 6.771202944e+01 1.160174275e+02 1.392155929e+02 1.392085457e+02 3.127824167e+01 6.081953395e+01 1.232117606e+02 3.102192671e+01 5.642212487e+01 1.46 1.278948182e+02 6.098734565e+01 1.060437105e+02 1.278876090e+02 1.278803998e+02 2.824697258e+01 5.512819918e+01 1.128570043e+02 2.781636463e+01 5.137701145e+01 1.48 1.173894641e+02 5.483673539e+01 9.683085794e+01 1.173820904e+02 1.173747167e+02 2.545184957e+01 4.989325849e+01 1.032744123e+02 2.487986252e+01 4.671627502e+01 1.50 1.076509648e+02 4.921441914e+01 8.832452606e+01 1.076434243e+02 1.076358838e+02 2.287627235e+01 4.508074954e+01 9.441042149e+01 2.219171607e+01 4.241305133e+01 1.52 9.862724322e+01 4.407809613e+01 8.047405884e+01 9.861953359e+01 9.861182397e+01 2.050472249e+01 4.065912579e+01 8.621496235e+01 1.973272914e+01 3.844223300e+01 1.54 9.026954668e+01 3.938869998e+01 7.323224854e+01 9.026166568e+01 9.025378467e+01 1.832269789e+01 3.659913411e+01 7.864124423e+01 1.748512329e+01 3.478036042e+01 1.56 8.253224687e+01 3.511026024e+01 6.655511105e+01 8.252419228e+01 8.251613769e+01 1.631665095e+01 3.287356882e+01 7.164555269e+01 1.543248857e+01 3.140550675e+01 1.58 7.537265160e+01 3.120961957e+01 6.040167545e+01 7.536442129e+01 7.535619099e+01 1.447393030e+01 2.945713481e+01 6.518705761e+01 1.355962515e+01 2.829719026e+01 1.60 6.875082708e+01 2.765613863e+01 5.473378661e+01 6.874241901e+01 6.873401094e+01 1.278272579e+01 2.632633858e+01 5.922757086e+01 1.185243580e+01 2.543629575e+01 1.62 6.262943028e+01 2.442151286e+01 4.951592047e+01 6.262084248e+01 6.261225468e+01 1.123201663e+01 2.345936672e+01 5.373137977e+01 1.029785075e+01 2.280498864e+01 1.64 5.697351588e+01 2.147959967e+01 4.471501069e+01 5.696474648e+01 5.695597707e+01 9.811511033e+00 2.083596017e+01 4.866517106e+01 8.883748715e+00 2.038661651e+01 1.66 5.175029069e+01 1.880624953e+01 4.030028660e+01 5.174133792e+01 5.173238516e+01 8.511568034e+00 1.843727527e+01 4.399784897e+01 7.598867085e+00 1.816558463e+01 1.68 4.692911366e+01 1.637917830e+01 3.624312107e+01 4.691997587e+01 4.691083808e+01 7.323201037e+00 1.624583083e+01 3.970043547e+01 6.432775701e+00 1.612735466e+01 1.70 4.248140094e+01 1.417789189e+01 3.251688831e+01 4.247207661e+01 4.246275228e+01 6.238049577e+00 1.424542729e+01 3.574594516e+01 5.375832149e+00 1.425839611e+01 1.72 3.838049308e+01 1.218357389e+01 2.909683064e+01 3.837098082e+01 3.836146856e+01 5.248338261e+00 1.242105798e+01 3.210925363e+01 4.419124820e+00 1.254611914e+01 1.74 3.460153045e+01 1.037886738e+01 2.595993371e+01 3.459182902e+01 3.458212759e+01 4.346838343e+00 1.075882956e+01 2.876697433e+01 3.554416974e+00 1.097881169e+01 1.76 3.112133664e+01 8.747761075e+00 2.308480979e+01 3.111144496e+01 3.110155328e+01 3.526831815e+00 9.245822766e+00 2.569734337e+01 2.774098323e+00 9.545580726e+00 1.78 2.791830917e+01 7.275473950e+00 2.045158851e+01 2.790822635e+01 2.789814353e+01 2.782077788e+00 7.870045282e+00 2.288011176e+01 2.071110816e+00 8.236299743e+00 1.80 2.497231749e+01 5.948256831e+00 1.804181463e+01 2.496204282e+01 2.495176814e+01 2.106781103e+00 6.620441080e+00 2.029644518e+01 1.438877106e+00 7.041571647e+00 1.82 2.226460668e+01 4.753412815e+00 1.583835241e+01 2.225413965e+01 2.224367262e+01 1.495562959e+00 5.486803204e+00 1.792882949e+01 8.713340829e-01 5.952667004e+00 1.84 1.977770753e+01 3.679283242e+00 1.382529612e+01 1.976704786e+01 1.975638819e+01 9.434334934e-01 4.459698003e+00 1.576103268e+01 3.629045729e-01 4.961470773e+00 1.86 1.749535234e+01 2.715167737e+00 1.198788642e+01 1.748449999e+01 1.747364764e+01 4.457661478e-01 3.530409009e+00 1.377805743e+01 -9.153985063e-02 4.060441297e+00 1.88 1.540239956e+01 1.851250230e+00 1.031243210e+01 1.539135474e+01 1.538030992e+01 -1.725115451e-03 2.690885982e+00 1.196595663e+01 -4.967124194e-01 3.242573704e+00 1.90 1.348485615e+01 1.078542069e+00 8.786236976e+00 1.347361935e+01 1.346238255e+01 -4.029760837e-01 1.933728547e+00 1.031178444e+01 -8.569189655e-01 2.501412151e+00 1.92 1.172979628e+01 3.888166954e-01 7.397531543e+00 1.171836830e+01 1.170694031e+01 -7.615971748e-01 1.252137117e+00 8.803529626e+00 -1.176090425e+00 1.831010206e+00 1.94 1.012516908e+01 -2.254668340e-01 6.135409072e+00 1.011355101e+01 1.010193293e+01 -1.080935385e+00 6.398285292e-01 7.430014332e+00 -1.457841992e+00 1.225835688e+00 1.96 8.659737340e+00 -7.712820363e-01 4.989765948e+00 8.647930621e+00 8.636123902e+00 -1.364092582e+00 9.099695057e-02 6.180838610e+00 -1.705498476e+00 6.807410118e-01 1.98 7.323027058e+00 -1.255091743e+00 3.951245922e+00 7.311033501e+00 7.299039944e+00 -1.613940277e+00 -3.997201712e-01 5.046330697e+00 -1.922116067e+00 1.909388596e-01 2.00 6.105279761e+00 -1.682796134e+00 3.011188036e+00 6.093101561e+00 6.080923361e+00 -1.833133469e+00 -8.372736894e-01 4.017500171e+00 -2.110502516e+00 -2.480207522e-01 2.02 4.997407630e+00 -2.059772392e+00 2.161578015e+00 4.985047397e+00 4.972687163e+00 -2.024123614e+00 -1.226198628e+00 3.085993916e+00 -2.273235851e+00 -6.402720506e-01 2.04 3.990951172e+00 -2.390918294e+00 1.395002870e+00 3.978411958e+00 3.965872743e+00 -2.189170756e+00 -1.570611256e+00 2.244054669e+00 -2.412677194e+00 -9.896538401e-01 2.06 3.078039390e+00 -2.680637063e+00 7.046085463e-01 3.065324717e+00 3.052610045e+00 -2.330329692e+00 -1.874323597e+00 1.484482084e+00 -2.530930468e+00 -1.299728616e+00 2.08 2.251352240e+00 -2.932803567e+00 8.406038091e-02 2.238466135e+00 2.225580031e+00 -2.449362082e+00 -2.140890735e+00 8.005961236e-01 -2.629894801e+00 -1.573800563e+00 2.10 1.504085322e+00 -3.150943211e+00 -4.724937679e-01 1.491032347e+00 1.477979372e+00 -2.548315944e+00 -2.373599321e+00 1.862024506e-01 -2.711311715e+00 -1.814932471e+00 2.12 8.299166355e-01 -3.338283749e+00 -9.704579252e-01 8.167019208e-01 8.034872061e-01 -2.628752051e+00 -2.575481223e+00 -3.644880705e-01 -2.776791159e+00 -2.025961639e+00 2.14 2.229753099e-01 -3.497778729e+00 -1.414820077e+00 2.096045923e-01 1.962338747e-01 -2.692043345e+00 -2.749331610e+00 -8.569368962e-01 -2.827823999e+00 -2.209514825e+00 2.16 -3.221877965e-01 -3.632129209e+00 -1.810182075e+00 -3.357081363e-01 -3.492284761e-01 -2.739516832e+00 -2.897725824e+00 -1.296194012e+00 -2.865769582e+00 -2.368022288e+00 2.18 -8.106640919e-01 -3.743808375e+00 -2.160787513e+00 -8.243269889e-01 -8.379898860e-01 -2.772387270e+00 -3.023047260e+00 -1.686923802e+00 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