# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-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 2024-11-27 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 5.206610265e+03 nan 0.72 nan nan nan nan nan nan nan nan 4.642945224e+03 nan 0.74 nan nan nan nan nan nan nan nan 4.148959424e+03 nan 0.76 nan nan nan nan nan 3.237963973e+03 nan nan 3.714934708e+03 nan 0.78 nan nan nan nan nan 2.904129702e+03 nan nan 3.332540361e+03 nan 0.80 nan nan nan nan nan 2.610246088e+03 nan nan 2.993717434e+03 nan 0.82 nan nan nan nan nan 2.351803798e+03 nan nan 2.693129476e+03 nan 0.84 nan nan nan nan nan 2.123284409e+03 nan nan 2.426273665e+03 nan 0.86 nan nan nan 5.101331332e+03 5.102757052e+03 1.920368432e+03 nan nan 2.188609929e+03 3.249977334e+03 0.88 nan 2.879823150e+03 nan 4.643655886e+03 4.644066174e+03 1.739537573e+03 nan nan 1.976508801e+03 2.947307254e+03 0.90 nan 2.613841928e+03 nan 4.233949693e+03 4.233282788e+03 1.576625069e+03 2.700137344e+03 nan 1.787545333e+03 2.675542428e+03 0.92 nan 2.374119901e+03 nan 3.867419575e+03 3.865757342e+03 1.429452516e+03 2.454722666e+03 nan 1.619250934e+03 2.431179612e+03 0.94 nan 2.156694521e+03 nan 3.537911868e+03 3.535705180e+03 1.296823933e+03 2.233593052e+03 nan 1.468414002e+03 2.211395369e+03 0.96 nan 1.959368952e+03 nan 3.239178091e+03 3.237224570e+03 1.177214243e+03 2.034074804e+03 nan 1.332444955e+03 2.013580666e+03 0.98 2.968844025e+03 1.780873397e+03 2.627427185e+03 2.967448848e+03 2.966210634e+03 1.068904988e+03 1.853450027e+03 2.727918435e+03 1.209840598e+03 1.835660740e+03 1.00 2.720668933e+03 1.619718189e+03 2.406778859e+03 2.720329078e+03 2.719929811e+03 9.699403029e+02 1.689228149e+03 2.497232807e+03 1.099436941e+03 1.675779801e+03 1.02 2.494696605e+03 1.474307009e+03 2.204470895e+03 2.495325054e+03 2.495894180e+03 8.789405032e+02 1.539826853e+03 2.287299671e+03 9.998384242e+02 1.531310272e+03 1.04 2.288603899e+03 1.343255280e+03 2.019452394e+03 2.290148049e+03 2.291638582e+03 7.954738906e+02 1.404252276e+03 2.096398425e+03 9.094600484e+02 1.399882961e+03 1.06 2.100915790e+03 1.225193096e+03 1.850437548e+03 2.102946616e+03 2.104908228e+03 7.191172099e+02 1.281548515e+03 1.922751240e+03 8.270210539e+02 1.280585235e+03 1.08 1.930409939e+03 1.118431489e+03 1.695787659e+03 1.932277374e+03 1.934094476e+03 6.490737757e+02 1.170573291e+03 1.764550901e+03 7.516635267e+02 1.172872738e+03 1.10 1.775264750e+03 1.021293682e+03 1.554104682e+03 1.776528693e+03 1.777789108e+03 5.845919125e+02 1.070202113e+03 1.620110063e+03 6.827578707e+02 1.075395038e+03 1.12 1.632978335e+03 9.325155972e+02 1.424414786e+03 1.633588497e+03 1.634245114e+03 5.252556035e+02 9.794986640e+02 1.487711872e+03 6.196212560e+02 9.860626076e+02 1.14 1.501747179e+03 8.513384546e+02 1.305897952e+03 1.501874082e+03 1.502078789e+03 4.712775202e+02 8.973713691e+02 1.366059890e+03 5.615311059e+02 9.033653323e+02 1.16 1.380911575e+03 7.772469173e+02 1.197710184e+03 1.380687186e+03 1.380534566e+03 4.228019991e+02 8.226523586e+02 1.254504696e+03 5.079458142e+02 8.269219728e+02 1.18 1.270059836e+03 7.097080974e+02 1.099014076e+03 1.269524083e+03 1.269025448e+03 3.791688770e+02 7.542944748e+02 1.152511151e+03 4.585329744e+02 7.565603485e+02 1.20 1.168558249e+03 6.481844686e+02 1.009172842e+03 1.167732859e+03 1.166904121e+03 3.399444453e+02 6.914358839e+02 1.059225828e+03 4.135195504e+02 6.918721065e+02 1.22 1.075645972e+03 5.921627424e+02 9.276115438e+02 1.074594396e+03 1.073505596e+03 3.048087104e+02 6.334596681e+02 9.737035015e+02 3.732230441e+02 6.323646945e+02 1.24 9.903995650e+02 5.410714784e+02 8.536280516e+02 9.892890493e+02 9.881175940e+02 2.734847561e+02 5.800418562e+02 8.951753344e+02 3.371530230e+02 5.775037378e+02 1.26 9.119710219e+02 4.943687425e+02 7.865410804e+02 9.110612742e+02 9.100862781e+02 2.457336694e+02 5.308814718e+02 8.231301674e+02 3.048540213e+02 5.268254139e+02 1.28 8.397862059e+02 4.516710158e+02 7.255694348e+02 8.393023540e+02 8.387673249e+02 2.211914530e+02 4.855217229e+02 7.571545562e+02 2.758496173e+02 4.800017324e+02 1.30 7.735305537e+02 4.127322612e+02 6.696680679e+02 7.735016127e+02 7.734452014e+02 1.992846743e+02 4.434507343e+02 6.968629669e+02 2.497017475e+02 4.368244177e+02 1.32 7.128981590e+02 3.772061369e+02 6.178411316e+02 7.131655152e+02 7.134331869e+02 1.794829915e+02 4.043057668e+02 6.418828860e+02 2.260840874e+02 3.973568513e+02 1.34 6.574948492e+02 3.453587417e+02 5.696324224e+02 6.578785266e+02 6.582936283e+02 1.615677512e+02 3.685988998e+02 5.918388288e+02 2.047768873e+02 3.618501697e+02 1.36 6.069089294e+02 3.167538584e+02 5.249211819e+02 6.072979260e+02 6.077480674e+02 1.454955771e+02 3.362657248e+02 5.462799712e+02 1.855852130e+02 3.298485300e+02 1.38 5.608026011e+02 2.909515851e+02 4.835610990e+02 5.611395687e+02 5.615558908e+02 1.312054233e+02 3.069891219e+02 5.046963178e+02 1.682765279e+02 3.010192067e+02 1.40 5.188591639e+02 2.676129168e+02 4.452616278e+02 5.190971512e+02 5.194062546e+02 1.185594078e+02 2.804639899e+02 4.664572835e+02 1.526214478e+02 2.750917525e+02 1.42 4.804600340e+02 2.464580470e+02 4.097316609e+02 4.805764215e+02 4.807328359e+02 1.074202525e+02 2.564180944e+02 4.309121931e+02 1.384468559e+02 2.517101468e+02 1.44 4.448272746e+02 2.272237159e+02 3.768204351e+02 4.448422741e+02 4.448596644e+02 9.767973778e+01 2.346157150e+02 3.975424561e+02 1.256581902e+02 2.304784293e+02 1.46 4.112620502e+02 2.096691975e+02 3.470499310e+02 4.112468216e+02 4.111983474e+02 8.925732286e+01 2.148518982e+02 3.663132188e+02 1.141825576e+02 2.110407518e+02 1.48 3.795665798e+02 1.935960471e+02 3.203221537e+02 3.795831978e+02 3.795416361e+02 8.207761527e+01 1.969519807e+02 3.377813146e+02 1.039423070e+02 1.932114314e+02 1.50 3.503332195e+02 1.788356920e+02 2.962839380e+02 3.504057732e+02 3.504109930e+02 7.595734364e+01 1.807114677e+02 3.118090323e+02 9.481333043e+01 1.768823966e+02 1.52 3.237141395e+02 1.652429788e+02 2.744946256e+02 3.238312614e+02 3.238850550e+02 7.060551747e+01 1.659142413e+02 2.881570780e+02 8.661422558e+01 1.619605045e+02 1.54 2.994614625e+02 1.526874803e+02 2.545289543e+02 2.995941796e+02 2.996790657e+02 6.573544255e+01 1.523649462e+02 2.665761305e+02 7.917120633e+01 1.483282937e+02 1.56 2.773079519e+02 1.410482704e+02 2.361128051e+02 2.774272277e+02 2.775227293e+02 6.119964093e+01 1.399517686e+02 2.468424578e+02 7.237052686e+01 1.358690037e+02 1.58 2.570153136e+02 1.302245006e+02 2.191397832e+02 2.571067298e+02 2.572008636e+02 5.700731750e+01 1.286081142e+02 2.287753081e+02 6.619503753e+01 1.244800773e+02 1.60 2.384032316e+02 1.201389934e+02 2.035258841e+02 2.384642599e+02 2.385497978e+02 5.318099583e+01 1.182781509e+02 2.122249776e+02 6.064435129e+01 1.140842016e+02 1.62 2.213235326e+02 1.107231201e+02 1.891604554e+02 2.213557633e+02 2.214270052e+02 4.971000651e+01 1.088967951e+02 1.970574477e+02 5.570538185e+01 1.046219153e+02 1.64 2.056443097e+02 1.019153660e+02 1.758903384e+02 2.056508706e+02 2.057027207e+02 4.653642412e+01 1.003973921e+02 1.831327660e+02 5.128586056e+01 9.604265691e+01 1.66 1.912475120e+02 9.366334374e+01 1.635689516e+02 1.912338123e+02 1.912632624e+02 4.360260542e+01 9.270633246e+01 1.703188818e+02 4.725860477e+01 8.830322829e+01 1.68 1.780282447e+02 8.591975206e+01 1.520815015e+02 1.780016202e+02 1.780079758e+02 4.086363348e+01 8.568158852e+01 1.584964480e+02 4.350302662e+01 8.136731181e+01 1.70 1.658997354e+02 7.864109805e+01 1.413490470e+02 1.658663046e+02 1.658507661e+02 3.829346378e+01 7.917108621e+01 1.475818754e+02 3.995059754e+01 7.520851514e+01 1.72 1.547686249e+02 7.178813240e+01 1.313052280e+02 1.547311905e+02 1.546960675e+02 3.587132041e+01 7.303772769e+01 1.375012937e+02 3.660106257e+01 6.976792582e+01 1.74 1.444942753e+02 6.533244479e+01 1.218903601e+02 1.444534757e+02 1.444025014e+02 3.357918183e+01 6.722335443e+01 1.281532350e+02 3.346346789e+01 6.488584543e+01 1.76 1.349347920e+02 5.925364893e+01 1.130507313e+02 1.348908157e+02 1.348290657e+02 3.140168966e+01 6.173614252e+01 1.194330739e+02 3.054523108e+01 6.038971359e+01 1.78 1.259591387e+02 5.353450577e+01 1.047372515e+02 1.259135763e+02 1.258467845e+02 2.932600121e+01 5.659068968e+01 1.112372160e+02 2.783233398e+01 5.611739187e+01 1.80 1.174953637e+02 4.816141603e+01 9.690870223e+01 1.174502409e+02 1.173836793e+02 2.734349140e+01 5.179427039e+01 1.035014040e+02 2.530633819e+01 5.201481956e+01 1.82 1.095160223e+02 4.312288931e+01 8.952910285e+01 1.094728098e+02 1.094106570e+02 2.544819469e+01 4.732752014e+01 9.619154169e+01 2.295082517e+01 4.810882624e+01 1.84 1.019989379e+02 3.840859367e+01 8.256597489e+01 1.019583240e+02 1.019037210e+02 2.363501592e+01 4.316900220e+01 8.927932579e+01 2.075572773e+01 4.443025876e+01 1.86 9.491839209e+01 3.401052827e+01 7.599350517e+01 9.488099503e+01 9.483645888e+01 2.190013395e+01 3.929992891e+01 8.273756293e+01 1.871557669e+01 4.099832641e+01 1.88 8.823012525e+01 2.992303721e+01 6.978872968e+01 8.819811475e+01 8.816597431e+01 2.024070724e+01 3.570935103e+01 7.653517133e+01 1.682611968e+01 3.779211374e+01 1.90 8.188790328e+01 2.614465123e+01 6.393020114e+01 8.186536451e+01 8.184777841e+01 1.865446521e+01 3.239062052e+01 7.064520660e+01 1.508439878e+01 3.478365427e+01 1.92 7.585363451e+01 2.267860098e+01 5.839878646e+01 7.584455261e+01 7.584276392e+01 1.713928161e+01 2.933771956e+01 6.504489418e+01 1.348856960e+01 3.194643645e+01 1.94 7.010726509e+01 1.952956988e+01 5.318135947e+01 7.011337973e+01 7.012702521e+01 1.569247583e+01 2.653974763e+01 5.971774982e+01 1.203674310e+01 2.926336278e+01 1.96 6.463545458e+01 1.670257261e+01 4.826820755e+01 6.465643462e+01 6.468389766e+01 1.431131757e+01 2.396135246e+01 5.465090024e+01 1.072691949e+01 2.672498869e+01 1.98 5.942572539e+01 1.419351340e+01 4.365223786e+01 5.946002588e+01 5.949923762e+01 1.299239843e+01 2.156150706e+01 4.983262076e+01 9.545810371e+00 2.432242117e+01 2.00 5.446638391e+01 1.196291381e+01 3.932720759e+01 5.451149320e+01 5.456008397e+01 1.173207479e+01 1.930004879e+01 4.525206230e+01 8.466798020e+00 2.204721679e+01 2.02 4.974653696e+01 9.963198657e+00 3.528956433e+01 4.979954444e+01 4.985485700e+01 1.052758797e+01 1.714607965e+01 4.089930434e+01 7.462748009e+00 1.989149085e+01 2.04 4.525563895e+01 8.146791754e+00 3.153757028e+01 4.531370041e+01 4.537292765e+01 9.376783195e+00 1.509852118e+01 3.676552683e+01 6.507136134e+00 1.784735182e+01 2.06 4.098404589e+01 6.474547839e+00 2.806996487e+01 4.104432675e+01 4.110461796e+01 8.277641671e+00 1.316386096e+01 3.284360846e+01 5.586164900e+00 1.590722728e+01 2.08 3.692365711e+01 4.948067664e+00 2.488591961e+01 3.698300710e+01 3.704145898e+01 7.228265817e+00 1.134877402e+01 2.912996773e+01 4.703284600e+00 1.406572022e+01 2.10 3.306679655e+01 3.581415283e+00 2.197580093e+01 3.312183011e+01 3.317553734e+01 6.226872036e+00 9.657806570e+00 2.562167443e+01 3.863315242e+00 1.231825634e+01 2.12 2.940630013e+01 2.389128709e+00 1.930183098e+01 2.945396248e+01 2.950027660e+01 5.272170676e+00 8.086869503e+00 2.231642259e+01 3.071711966e+00 1.066112802e+01 2.14 2.594008171e+01 1.384638081e+00 1.682394998e+01 2.597818557e+01 2.601518766e+01 4.364561971e+00 6.631463021e+00 1.921413949e+01 2.331758144e+00 9.093328842e+00 2.16 2.266785808e+01 5.675145242e-01 1.450289421e+01 2.269507247e+01 2.272156198e+01 3.504994840e+00 5.287707176e+00 1.631624279e+01 1.641436807e+00 7.614934611e+00 2.18 1.958983510e+01 -9.008683259e-02 1.230328934e+01 1.960557326e+01 1.962095585e+01 2.694884508e+00 4.052236457e+00 1.362469920e+01 9.987065597e-01 6.226317743e+00 2.20 1.670664345e+01 -6.305206210e-01 1.022203329e+01 1.671102356e+01 1.671528459e+01 1.936102404e+00 2.924004042e+00 1.114178966e+01 4.017894644e-01 4.928058870e+00 2.22 1.401931311e+01 -1.095188427e+00 8.272381335e+00 1.401300800e+01 1.400668207e+01 1.230482550e+00 1.902997642e+00 8.869834143e+00 -1.502433407e-01 3.720934243e+00 2.24 1.152925200e+01 -1.522104481e+00 6.467718561e+00 1.151339482e+01 1.149753744e+01 5.797897268e-01 9.894358716e-01 6.811276852e+00 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