# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = 2012--Schopf-D--Al-Mn-Pd--LAMMPS--ipr1 # composition = Pd # 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 nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan -7.486132855e+03 nan 0.86 nan nan nan nan nan nan nan nan -6.854335134e+03 nan 0.88 nan nan nan nan nan nan nan nan -6.279491979e+03 nan 0.90 nan nan nan nan nan nan nan nan -5.755095026e+03 nan 0.92 nan nan nan nan nan -4.375253759e+03 nan nan -5.274720292e+03 nan 0.94 nan nan nan nan nan -3.989749216e+03 nan nan -4.833072944e+03 nan 0.96 nan nan nan nan nan -3.639689696e+03 nan nan -4.426293724e+03 nan 0.98 nan nan nan nan nan -3.322040860e+03 nan nan -4.051393590e+03 nan 1.00 nan nan nan nan nan -3.034592914e+03 nan nan -3.705822488e+03 nan 1.02 nan nan nan nan nan -2.775229461e+03 nan nan -3.387260463e+03 nan 1.04 nan nan nan -7.345724115e+03 -7.340367903e+03 -2.541791340e+03 nan nan -3.094121500e+03 -4.723025946e+03 1.06 nan -4.301380457e+03 nan -6.826034288e+03 -6.820964613e+03 -2.332096211e+03 -4.448534834e+03 nan -2.824963576e+03 -4.354773638e+03 1.08 nan -3.975835496e+03 nan -6.348154006e+03 -6.344048669e+03 -2.143937021e+03 -4.107704044e+03 nan -2.578295771e+03 -4.013368945e+03 1.10 nan -3.675935991e+03 nan -5.908104367e+03 -5.905514662e+03 -1.975093220e+03 -3.789270832e+03 nan -2.352596916e+03 -3.696895994e+03 1.12 nan -3.398693346e+03 nan -5.501928445e+03 -5.501262851e+03 -1.823333197e+03 -3.492093358e+03 nan -2.146321552e+03 -3.403436899e+03 1.14 nan -3.141594909e+03 nan -5.126380206e+03 -5.127657404e+03 -1.686416950e+03 -3.214973639e+03 nan -1.957903672e+03 -3.131537626e+03 1.16 nan -2.902399303e+03 nan -4.778624374e+03 -4.781331829e+03 -1.562101904e+03 -2.956687872e+03 -4.407782411e+03 -1.785799246e+03 -2.880009147e+03 1.18 -4.452688956e+03 -2.678842387e+03 -3.977570487e+03 -4.456007929e+03 -4.459323194e+03 -1.448569378e+03 -2.716264765e+03 -4.105732837e+03 -1.628704884e+03 -2.647633803e+03 1.20 -4.153053025e+03 -2.468777043e+03 -3.700232833e+03 -4.156322333e+03 -4.159589094e+03 -1.344935601e+03 -2.492898847e+03 -3.825141531e+03 -1.485451653e+03 -2.433169266e+03 1.22 -3.874607864e+03 -2.270959533e+03 -3.439980068e+03 -3.877375007e+03 -3.880142232e+03 -1.250381759e+03 -2.285761203e+03 -3.563435154e+03 -1.354919618e+03 -2.235356629e+03 1.24 -3.614934414e+03 -2.084457324e+03 -3.195848509e+03 -3.616949300e+03 -3.618966862e+03 -1.164070529e+03 -2.094001361e+03 -3.318052062e+03 -1.235983819e+03 -2.052924048e+03 1.26 -3.371600428e+03 -1.908659671e+03 -2.966842554e+03 -3.372811133e+03 -3.374025600e+03 -1.085201813e+03 -1.916753099e+03 -3.086887397e+03 -1.127716078e+03 -1.884592171e+03 1.28 -3.142161575e+03 -1.743170280e+03 -2.751939930e+03 -3.142709989e+03 -3.143261322e+03 -1.012810805e+03 -1.753138227e+03 -2.868243634e+03 -1.029119004e+03 -1.729071786e+03 1.30 -2.924656501e+03 -1.587612163e+03 -2.550098957e+03 -2.924813626e+03 -2.924971491e+03 -9.459797429e+02 -1.602270045e+03 -2.661372562e+03 -9.393475826e+02 -1.585230841e+03 1.32 -2.718595893e+03 -1.441779170e+03 -2.360260158e+03 -2.718574624e+03 -2.718551586e+03 -8.838385289e+02 -1.463254872e+03 -2.465923942e+03 -8.575607068e+02 -1.452425974e+03 1.34 -2.523653692e+03 -1.305205673e+03 -2.181350730e+03 -2.523586104e+03 -2.523514954e+03 -8.255088465e+02 -1.335229043e+03 -2.281514275e+03 -7.829114113e+02 -1.330066852e+03 1.36 -2.339476579e+03 -1.177633886e+03 -2.012288526e+03 -2.339416021e+03 -2.339351619e+03 -7.701124732e+02 -1.217252276e+03 -2.107736961e+03 -7.145481970e+02 -1.217608481e+03 1.38 -2.165687682e+03 -1.058802240e+03 -1.852262241e+03 -2.165634347e+03 -2.165578464e+03 -7.170463560e+02 -1.108479434e+03 -1.944167125e+03 -6.517159231e+02 -1.114326812e+03 1.40 -2.001892139e+03 -9.484305438e+02 -1.701036946e+03 -2.001843651e+03 -2.001794780e+03 -6.662774126e+02 -1.008336328e+03 -1.790364465e+03 -5.939664723e+02 -1.019574948e+03 1.42 -1.847681813e+03 -8.462209057e+02 -1.558424049e+03 -1.847637070e+03 -1.847594020e+03 -6.177941503e+02 -9.162350132e+02 -1.645878741e+03 -5.408812900e+02 -9.327392738e+02 1.44 -1.702635417e+03 -7.518665163e+02 -1.424208281e+03 -1.702594419e+03 -1.702556431e+03 -5.715719989e+02 -8.315714758e+02 -1.510301440e+03 -4.920322792e+02 -8.532031744e+02 1.46 -1.566337608e+03 -6.650603814e+02 -1.298024943e+03 -1.566305357e+03 -1.566274402e+03 -5.275755269e+02 -7.537360197e+02 -1.383059278e+03 -4.469870665e+02 -7.803535582e+02 1.48 -1.438376419e+03 -5.854908373e+02 -1.179647615e+03 -1.438344799e+03 -1.438316048e+03 -4.857622758e+02 -6.821166867e+02 -1.263619770e+03 -4.053129870e+02 -7.135755371e+02 1.50 -1.318147784e+03 -5.128402613e+02 -1.068843944e+03 -1.318124691e+03 -1.318101066e+03 -4.460952815e+02 -6.161012634e+02 -1.151565203e+03 -3.666198661e+02 -6.522469508e+02 1.52 -1.205228733e+03 -4.467912129e+02 -9.653833935e+02 -1.205220257e+03 -1.205203745e+03 -4.085483457e+02 -5.550781127e+02 -1.046551429e+03 -3.307592874e+02 -5.957384673e+02 1.54 -1.099196206e+03 -3.870182233e+02 -8.690319247e+02 -1.099202158e+03 -1.099193088e+03 -3.730988835e+02 -4.986050954e+02 -9.482365816e+02 -2.976321040e+02 -5.434190500e+02 1.56 -9.996238479e+02 -3.331808160e+02 -7.795433251e+02 -9.996379078e+02 -9.996358056e+02 -3.397153392e+02 -4.464824668e+02 -8.562708587e+02 -2.671223518e+02 -4.946590391e+02 1.58 -9.060948542e+02 -2.849353773e+02 -6.966621862e+02 -9.061108251e+02 -9.061151580e+02 -3.083470789e+02 -3.985095646e+02 -7.703075618e+02 -2.391034820e+02 -4.488680276e+02 1.60 -8.183768853e+02 -2.419482532e+02 -6.201317997e+02 -8.183918532e+02 -8.184011401e+02 -2.789323432e+02 -3.544858860e+02 -6.901223339e+02 -2.134468909e+02 -4.058428986e+02 1.62 -7.363192496e+02 -2.038950707e+02 -5.497009413e+02 -7.363299358e+02 -7.363403455e+02 -2.514159332e+02 -3.142115480e+02 -6.155412919e+02 -1.900247394e+02 -3.655473843e+02 1.64 -6.597621155e+02 -1.704435052e+02 -4.851128846e+02 -6.597621274e+02 -6.597677191e+02 -2.257481230e+02 -2.774864933e+02 -5.463804528e+02 -1.687073274e+02 -3.279286732e+02 1.66 -5.885329329e+02 -1.412523180e+02 -4.260942067e+02 -5.885167412e+02 -5.885121885e+02 -2.018721027e+02 -2.441097170e+02 -4.824457553e+02 -1.493658982e+02 -2.929145006e+02 1.68 -5.224488586e+02 -1.159843482e+02 -3.723589401e+02 -5.224158385e+02 -5.223993971e+02 -1.797215186e+02 -2.138725133e+02 -4.235365780e+02 -1.318733698e+02 -2.604180879e+02 1.70 -4.613283618e+02 -9.431199638e+01 -3.236220772e+02 -4.612819823e+02 -4.612559705e+02 -1.592267115e+02 -1.865555313e+02 -3.694519170e+02 -1.160986792e+02 -2.303480531e+02 1.72 -4.049922406e+02 -7.590617559e+01 -2.796034725e+02 -4.049357358e+02 -4.049040352e+02 -1.403173372e+02 -1.619287510e+02 -3.199921671e+02 -1.019015816e+02 -2.026117303e+02 1.74 -3.532580150e+02 -6.042544815e+01 -2.400296682e+02 -3.531936198e+02 -3.531598287e+02 -1.229256426e+02 -1.397577785e+02 -2.749562246e+02 -8.913770926e+01 -1.771177973e+02 1.76 -3.059317958e+02 -4.752031049e+01 -2.046307632e+02 -3.058656737e+02 -3.058335404e+02 -1.069885396e+02 -1.198104544e+02 -2.341413079e+02 -7.766551388e+01 -1.537809455e+02 1.78 -2.628085676e+02 -3.684466096e+01 -1.731311735e+02 -2.627537809e+02 -2.627276289e+02 -9.244509225e+01 -1.018599489e+02 -1.973424899e+02 -6.734691648e+01 -1.325222757e+02 1.80 -2.236872192e+02 -2.806400787e+01 -1.452501155e+02 -2.236612034e+02 -2.236453935e+02 -7.923742528e+01 -8.574835010e+01 -1.643589218e+02 -5.804514030e+01 -1.132638678e+02 1.82 -1.883795888e+02 -2.086040259e+01 -1.207066896e+02 -1.883968990e+02 -1.883947513e+02 -6.731257662e+01 -7.138688738e+01 -1.349947023e+02 -4.963812976e+01 -9.591881231e+01 1.84 -1.567099501e+02 -1.503104056e+01 -9.922093599e+01 -1.567732164e+02 -1.567861033e+02 -5.661716046e+01 -5.868081583e+01 -1.090557618e+02 -4.207273672e+01 -8.039130001e+01 1.86 -1.285073680e+02 -1.043449328e+01 -8.051190786e+01 -1.286039053e+02 -1.286309865e+02 -4.708939035e+01 -4.753370602e+01 -8.634602009e+01 -3.530738206e+01 -6.658413050e+01 1.88 -1.035915876e+02 -6.914703564e+00 -6.429755409e+01 -1.037002981e+02 -1.037391036e+02 -3.865769425e+01 -3.784898017e+01 -6.666342424e+01 -2.930291040e+01 -5.439913544e+01 1.90 -8.176910696e+01 -4.311681636e+00 -5.030063124e+01 -8.187126012e+01 -8.191847358e+01 -3.124929701e+01 -2.953098492e+01 -4.980091480e+01 -2.401908108e+01 -4.373576856e+01 1.92 -6.284191435e+01 -2.468810875e+00 -3.825454050e+01 -6.292602221e+01 -6.297793122e+01 -2.479941748e+01 -2.248578595e+01 -3.555082152e+01 -1.941343767e+01 -3.449220715e+01 1.94 -4.661431274e+01 -1.234644225e+00 -2.794149170e+01 -4.667540165e+01 -4.672850963e+01 -1.925397660e+01 -1.661957461e+01 -2.370736820e+01 -1.544389787e+01 -2.656767832e+01 1.96 -3.289233671e+01 -4.612006524e-01 -1.925611045e+01 -3.293050964e+01 -3.298235256e+01 -1.456277354e+01 -1.183365658e+01 -1.406722207e+01 -1.206983794e+01 -1.986305696e+01 1.98 -2.148219018e+01 -1.435058605e-03 -1.208516752e+01 -2.150072909e+01 -2.154976515e+01 -1.066914242e+01 -8.021611180e+00 -6.427851506e+00 -9.249126146e+00 -1.428131508e+01 2.00 -1.219133715e+01 2.711951374e-01 -6.302502930e+00 -1.219333263e+01 -1.223770714e+01 -7.506853859e+00 -5.072340541e+00 -5.850790355e-01 -6.935199518e+00 -9.728487546e+00 2.02 -4.828689716e+00 3.814839489e-01 -1.777206867e+00 -4.814627895e+00 -4.851133951e+00 -5.006427837e+00 -2.875250752e+00 3.668088145e+00 -5.079628895e+00 -6.112145588e+00 2.04 7.982829988e-01 3.473968744e-01 1.619033126e+00 8.295380857e-01 8.053791361e-01 -3.101071040e+00 -1.323135442e+00 6.540817567e+00 -3.636842007e+00 -3.337271443e+00 2.06 4.884827416e+00 1.911771406e-01 4.012075886e+00 4.933007629e+00 4.925980222e+00 -1.725720926e+00 -3.123493586e-01 8.241993329e+00 -2.565869363e+00 -1.305252250e+00 2.08 7.626394093e+00 -6.402555727e-02 5.528709922e+00 7.688332135e+00 7.702476020e+00 -8.128576384e-01 2.588444137e-01 8.977736725e+00 -1.827458169e+00 8.233334466e-02 2.10 9.215963633e+00 -3.965673279e-01 6.298378605e+00 9.287057661e+00 9.324651802e+00 -2.911369873e-01 4.904488563e-01 8.951630236e+00 -1.379872025e+00 9.200343342e-01 2.12 9.845233019e+00 -7.869440746e-01 6.451945405e+00 9.920817964e+00 9.981163828e+00 -8.820139268e-02 4.572376716e-01 8.367139221e+00 -1.177100629e+00 1.300015328e+00 2.14 9.707801533e+00 -1.218077769e+00 6.120121504e+00 9.782542187e+00 9.861133162e+00 -1.332975883e-01 2.182875814e-01 7.429712020e+00 -1.169638508e+00 1.316436794e+00 2.16 8.999961559e+00 -1.675020300e+00 5.432266902e+00 9.066979657e+00 9.156129740e+00 -3.584674979e-01 -1.666409144e-01 6.342219826e+00 -1.306310484e+00 1.067069427e+00 2.18 7.917388941e+00 -2.142841383e+00 4.515407312e+00 7.969948215e+00 8.061171397e+00 -6.989151040e-01 -6.371369089e-01 5.215739709e+00 -1.536303963e+00 6.492850762e-01 2.20 6.651914827e+00 -2.603870354e+00 3.493726180e+00 6.686705685e+00 6.773272138e+00 -1.092887485e+00 -1.131189442e+00 4.099834768e+00 -1.810510234e+00 1.553641571e-01 2.22 5.391277270e+00 -3.036363186e+00 2.489401691e+00 5.410849695e+00 5.488972707e+00 -1.480460425e+00 -1.586220286e+00 3.049102392e+00 -2.081835747e+00 -3.278987980e-01 2.24 4.247650688e+00 -3.424576448e+00 1.575716958e+00 4.259536763e+00 4.327877750e+00 -1.825434874e+00 -1.965889560e+00 2.094684938e+00 -2.323211945e+00 -7.520383851e-01 2.26 3.201580797e+00 -3.767816202e+00 7.397538420e-01 3.214383141e+00 3.272536230e+00 -2.132886324e+00 -2.280949389e+00 1.226223120e+00 -2.541357973e+00 -1.131153611e+00 2.28 2.247064379e+00 -4.064002831e+00 -2.148354269e-02 2.266313191e+00 2.313573416e+00 -2.401959847e+00 -2.540762981e+00 4.393624311e-01 -2.739870275e+00 -1.468918772e+00 2.30 1.379075255e+00 -4.312256146e+00 -7.108133162e-01 1.405308499e+00 1.440371834e+00 -2.632952215e+00 -2.755754672e+00 -2.693867345e-01 -2.921653909e+00 -1.767442408e+00 2.32 5.931850395e-01 -4.513262119e+00 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