# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2010--Mendelev-M-I-Rahman-M-J-Hoyt-J-J-Asta-M--fictional-Al-2 # implementation = 2010--Mendelev-M-I--fictional-Al-2--LAMMPS--ipr1 # composition = Al # 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 8.348000213e+14 nan 0.82 nan nan nan nan nan nan nan nan 7.340779214e+14 nan 0.84 nan nan nan nan nan nan nan nan 6.427550319e+14 nan 0.86 nan nan nan nan nan 4.115787804e+14 nan nan 5.597661966e+14 nan 0.88 nan nan nan nan nan 3.460545221e+14 nan nan 4.841873031e+14 nan 0.90 nan nan nan nan nan 2.862553537e+14 nan nan 4.152122431e+14 nan 0.92 nan nan nan nan nan 2.315695061e+14 nan nan 3.521369564e+14 nan 0.94 nan nan nan nan nan 1.814636903e+14 nan nan 2.943457973e+14 nan 0.96 nan nan nan nan nan 1.354715307e+14 nan nan 2.412993422e+14 nan 0.98 nan nan nan 8.739236042e+14 8.739243933e+14 9.318446257e+13 nan nan 1.925242912e+14 4.497350741e+14 1.00 nan 3.890519696e+14 nan 7.885932045e+14 7.885951946e+14 5.472581365e+13 4.029075452e+14 nan 1.476028486e+14 3.895299276e+14 1.02 nan 3.334832069e+14 nan 7.098443843e+14 7.098470675e+14 2.998197970e+13 3.465573522e+14 nan 1.061639114e+14 3.339807932e+14 1.04 nan 2.821321703e+14 nan 6.370566659e+14 6.370597931e+14 1.655350451e+13 2.944853017e+14 nan 6.787731739e+13 2.826486329e+14 1.06 nan 2.346087299e+14 nan 5.696785477e+14 5.696819864e+14 9.206245624e+12 2.462947064e+14 nan 3.816920466e+13 2.351426868e+14 1.08 nan 1.905646807e+14 nan 5.072192959e+14 5.072229194e+14 5.155147944e+12 2.016328050e+14 nan 2.155167926e+13 1.911142077e+14 1.10 nan 1.496892998e+14 nan 4.492407388e+14 4.492443794e+14 2.905203785e+12 1.601841813e+14 3.906673845e+14 1.224914383e+13 1.502517351e+14 1.12 3.953462657e+14 1.117043264e+14 3.163496211e+14 3.953499327e+14 3.953532246e+14 1.647090708e+12 1.216662497e+14 3.398794860e+14 7.004924179e+12 1.122770964e+14 1.14 3.451893895e+14 7.636028994e+13 2.703066776e+14 3.451940444e+14 3.451963951e+14 9.390902159e+11 8.582551944e+13 2.926149891e+14 4.029075225e+12 7.694132412e+13 1.16 2.984530448e+14 4.585233856e+13 2.274077862e+14 2.984565333e+14 2.984572964e+14 5.382626270e+11 5.314279225e+13 2.485756714e+14 2.330004137e+12 4.629904859e+13 1.18 2.548526883e+14 2.719254332e+13 1.873909615e+14 2.548531163e+14 2.548519942e+14 3.100450302e+11 3.155611492e+13 2.074922415e+14 1.354286067e+12 2.747435314e+13 1.20 2.141311073e+14 1.621672341e+13 1.500190800e+14 2.141278797e+14 2.141252314e+14 1.794074105e+11 1.884346168e+13 1.691215485e+14 7.909030605e+11 1.639388784e+13 1.22 1.760548201e+14 9.722125043e+12 1.150777857e+14 1.760491231e+14 1.760457667e+14 1.042512533e+11 1.131178588e+13 1.332440619e+14 4.639314060e+11 9.833143486e+12 1.24 1.404126768e+14 5.857459713e+12 8.237329536e+13 1.404067352e+14 1.404035766e+14 6.081161417e+10 6.824222677e+12 9.966158448e+13 2.732520326e+11 5.926904632e+12 1.26 1.070142032e+14 3.545489154e+12 5.253776933e+13 1.070101772e+14 1.070080069e+14 3.559568084e+10 4.136080988e+12 6.819502200e+13 1.615532325e+11 3.588924108e+12 1.28 7.568735898e+13 2.155432571e+12 3.249385266e+13 7.568652812e+13 7.568584423e+13 2.090053986e+10 2.517711260e+12 4.237482250e+13 9.584620421e+10 2.182659465e+12 1.30 4.805212474e+13 1.315705242e+12 2.019326785e+13 4.805413743e+13 4.805482907e+13 1.230583905e+10 1.538781521e+12 2.637193703e+13 5.704360151e+10 1.332868902e+12 1.32 3.014351903e+13 8.061707236e+11 1.260611649e+13 3.014605858e+13 3.014716364e+13 7.262791144e+09 9.440262367e+11 1.648839836e+13 3.404688110e+10 8.170837401e+11 1.34 1.899460194e+13 4.957006282e+11 7.903540706e+12 1.899647007e+13 1.899744018e+13 4.295143000e+09 5.811928009e+11 1.035413215e+13 2.037279122e+10 5.027142889e+11 1.36 1.202051199e+13 3.057864203e+11 4.975361190e+12 1.202151766e+13 1.202218248e+13 2.544301330e+09 3.589937857e+11 6.528953216e+12 1.221771519e+10 3.103475865e+11 1.38 7.637914409e+12 1.891937730e+11 3.144048543e+12 7.638286992e+12 7.638662205e+12 1.509034812e+09 2.224282467e+11 4.132995801e+12 7.341050683e+09 1.921952242e+11 1.40 4.871779909e+12 1.173728675e+11 1.993957391e+12 4.871811131e+12 4.871980354e+12 8.957377925e+08 1.382083912e+11 2.625889204e+12 4.417896405e+09 1.193705625e+11 1.42 3.118626756e+12 7.299379476e+10 1.268823876e+12 3.118532084e+12 3.118587936e+12 5.318795152e+08 8.610419781e+10 1.674082361e+12 2.662078170e+09 7.433731189e+10 1.44 2.003113261e+12 4.549373510e+10 8.099164775e+11 2.003010590e+12 2.003022383e+12 3.157816136e+08 5.377279653e+10 1.070695713e+12 1.605579099e+09 4.640533787e+10 1.46 1.290681826e+12 2.840906187e+10 5.184754579e+11 1.290617966e+12 1.290623218e+12 1.873638029e+08 3.365511486e+10 6.868266521e+11 9.689548785e+08 2.903198188e+10 1.48 8.340886062e+11 1.777036232e+10 3.327884354e+11 8.340697282e+11 8.340820948e+11 1.110439303e+08 2.110523827e+10 4.418016630e+11 5.849079349e+08 1.819819602e+10 1.50 5.405004102e+11 1.113183026e+10 2.141274481e+11 5.405148735e+11 5.405354250e+11 6.570579343e+07 1.325805002e+10 2.849176108e+11 3.530444844e+08 1.142665231e+10 1.52 3.511464912e+11 6.981765884e+09 1.380881623e+11 3.511778587e+11 3.512027883e+11 3.879726951e+07 8.340962702e+09 1.841793971e+11 2.129935196e+08 7.185353596e+09 1.54 2.286702788e+11 4.383172611e+09 8.923571195e+10 2.287059673e+11 2.287311404e+11 2.284913332e+07 5.254045353e+09 1.193201284e+11 1.283875127e+08 4.523935269e+09 1.56 1.492395691e+11 2.753803937e+09 5.777475869e+10 1.492721951e+11 1.492946561e+11 1.341452205e+07 3.312877752e+09 7.745712598e+10 7.728756690e+07 2.851181796e+09 1.58 9.759755450e+10 1.730998773e+09 3.746944420e+10 9.762366800e+10 9.764184532e+10 7.846284293e+06 2.090473704e+09 5.037446991e+10 4.644368976e+07 1.798347492e+09 1.60 6.394479885e+10 1.088371635e+09 2.433789193e+10 6.396347752e+10 6.397695936e+10 4.569433108e+06 1.319793795e+09 3.281610173e+10 2.784595439e+07 1.134905485e+09 1.62 4.196749258e+10 6.843324333e+08 1.583004819e+10 4.197944671e+10 4.198862975e+10 2.647699015e+06 8.334603458e+08 2.140992391e+10 1.664905258e+07 7.164282656e+08 1.64 2.758610243e+10 4.301848885e+08 1.030862842e+10 2.759285207e+10 2.759857641e+10 1.525272210e+06 5.263524683e+08 1.398673479e+10 9.921304701e+06 4.522636575e+08 1.66 1.815779576e+10 2.702883605e+08 6.719921017e+09 1.816100270e+10 1.816424186e+10 8.728205845e+05 3.323323208e+08 9.147650808e+09 5.889039699e+06 2.854207249e+08 1.68 1.196618259e+10 1.696945057e+08 4.384250115e+09 1.196726476e+10 1.196888724e+10 4.956574279e+05 2.097275117e+08 5.988435135e+09 3.479684616e+06 1.800169564e+08 1.70 7.893920087e+09 1.064275769e+08 2.862301423e+09 7.893881709e+09 7.894537568e+09 2.790238193e+05 1.322502763e+08 3.923254733e+09 2.045273101e+06 1.134298506e+08 1.72 5.211928387e+09 6.665812043e+07 1.869581713e+09 5.211412232e+09 5.211544478e+09 1.555114076e+05 8.330220626e+07 2.571737436e+09 1.194937350e+06 7.137965228e+07 1.74 3.443449135e+09 4.167922129e+07 1.221522655e+09 3.442834350e+09 3.442722764e+09 8.568912013e+04 5.239445962e+07 1.686436665e+09 6.933534797e+05 4.484339924e+07 1.76 2.276132056e+09 2.600751285e+07 7.981808535e+08 2.275608358e+09 2.275414131e+09 4.660306266e+04 3.289460325e+07 1.106095565e+09 3.991852413e+05 2.811522954e+07 1.78 1.504971592e+09 1.618927713e+07 5.214991067e+08 1.504605576e+09 1.504411963e+09 2.496818459e+04 2.060662917e+07 7.254550754e+08 2.277978085e+05 1.758485493e+07 1.80 9.951906258e+08 1.004927317e+07 3.406157784e+08 9.949768154e+08 9.948195582e+08 1.314757078e+04 1.287520172e+07 4.757073609e+08 1.286952386e+05 1.096765576e+07 1.82 6.580437955e+08 6.217819065e+06 2.223503473e+08 6.579434558e+08 6.578314578e+08 6.785548932e+03 8.020045111e+06 3.118147074e+08 7.188206844e+04 6.818335344e+06 1.84 4.350092313e+08 3.833004796e+06 1.450346396e+08 4.349786876e+08 4.349075729e+08 3.420724372e+03 4.978227697e+06 2.042651421e+08 3.963137061e+04 4.223082834e+06 1.86 2.874475170e+08 2.352994185e+06 9.450685306e+07 2.874529120e+08 2.874132905e+08 1.677147570e+03 3.077751550e+06 1.337031950e+08 2.152856994e+04 2.604634047e+06 1.88 1.898250622e+08 1.437616214e+06 6.150476090e+07 1.898446035e+08 1.898264904e+08 7.952831305e+02 1.894185796e+06 8.742669509e+07 1.149718512e+04 1.598783555e+06 1.90 1.252563055e+08 8.736586975e+05 3.996730825e+07 1.252777535e+08 1.252726825e+08 3.620162040e+02 1.159827031e+06 5.709536049e+07 6.020136175e+03 9.761061832e+05 1.92 8.256718253e+07 5.277463357e+05 2.592667007e+07 8.258512601e+07 8.258699463e+07 1.565477333e+02 7.061131321e+05 3.723103085e+07 3.080479724e+03 5.923524545e+05 1.94 5.436017124e+07 3.166420139e+05 1.678504749e+07 5.437326161e+07 5.437815986e+07 6.330713636e+01 4.271339387e+05 2.423499728e+07 1.533863611e+03 3.570408630e+05 1.96 3.573687698e+07 1.885420744e+05 1.084199447e+07 3.574559309e+07 3.575121977e+07 2.331615519e+01 2.565214182e+05 1.574318741e+07 7.390359291e+02 2.135758698e+05 1.98 2.345339215e+07 1.113094155e+05 6.985071056e+06 2.345875756e+07 2.346389973e+07 7.404091841e+00 1.528163671e+05 1.020288607e+07 3.418442825e+02 1.266726006e+05 2.00 1.536142592e+07 6.508268668e+04 4.487029186e+06 1.536446336e+07 1.536860761e+07 1.701627566e+00 9.021264290e+04 6.594664155e+06 1.499972843e+02 7.441435006e+04 2.02 1.003848813e+07 3.764085372e+04 2.872830691e+06 1.004004582e+07 1.004309731e+07 -5.357793074e-02 5.271304142e+04 4.249609594e+06 6.116958788e+01 4.324679605e+04 2.04 6.543052198e+06 2.150160825e+04 1.832494702e+06 6.543757300e+06 6.545838504e+06 -4.939721708e-01 3.044722073e+04 2.729154412e+06 2.221085969e+01 2.482963707e+04 2.06 4.252288344e+06 1.210988686e+04 1.164006059e+06 4.252554139e+06 4.253872810e+06 -6.126232612e-01 1.735748001e+04 1.746039965e+06 6.318981847e+00 1.406041466e+04 2.08 2.754487624e+06 6.710520464e+03 7.359086206e+05 2.754554286e+06 2.755326724e+06 -7.183051996e-01 9.748615385e+03 1.112339906e+06 4.715402374e-01 7.837849591e+03 2.10 1.777741649e+06 3.649275291e+03 4.628082435e+05 1.777736826e+06 1.778149852e+06 -8.679425366e-01 5.382232532e+03 7.052949978e+05 -1.360695886e+00 4.290896073e+03 2.12 1.142685263e+06 1.941315026e+03 2.893429797e+05 1.142669186e+06 1.142865395e+06 -1.046226760e+00 2.913216381e+03 4.448625071e+05 -1.791294134e+00 2.300313672e+03 2.14 7.311738835e+05 1.006026104e+03 1.797033624e+05 7.311670049e+05 7.312432552e+05 -1.230167754e+00 1.540603739e+03 2.789647458e+05 -1.847890927e+00 1.203099014e+03 2.16 4.655203318e+05 5.049630263e+02 1.107884235e+05 4.655239904e+05 4.655402579e+05 -1.405875199e+00 7.924429737e+02 1.738032691e+05 -1.872106555e+00 6.108761570e+02 2.18 2.947453543e+05 2.434355040e+02 6.774125638e+04 2.947544697e+05 2.947450010e+05 -1.568377237e+00 3.940092693e+02 1.075060938e+05 -1.939772702e+00 2.990545408e+02 2.20 1.854752849e+05 1.111678927e+02 4.104044010e+04 1.854847589e+05 1.854674729e+05 -1.717554059e+00 1.876213065e+02 6.596494644e+04 -2.043076640e+00 1.396867263e+02 2.22 1.159210075e+05 4.682985192e+01 2.460864005e+04 1.159281989e+05 1.159114755e+05 -1.854890137e+00 8.425286251e+01 4.011283751e+04 -2.160071789e+00 6.115069141e+01 2.24 7.190195251e+04 1.704921057e+01 1.458538912e+04 7.190636635e+04 7.189332757e+04 -1.981696535e+00 3.460859959e+01 2.414704615e+04 -2.275372412e+00 2.418300982e+01 2.26 4.422205523e+04 4.142602038e+00 8.531798825e+03 4.422431619e+04 4.421543623e+04 -2.098557452e+00 1.202167663e+01 1.437130866e+04 -2.382234953e+00 7.793196496e+00 2.28 2.694117812e+04 -9.557878529e-01 4.916556891e+03 2.694217836e+04 2.693680111e+04 -2.205460825e+00 2.470747980e+00 8.443489475e+03 -2.479395338e+00 1.100632801e+00 2.30 1.623915625e+04 -2.700882442e+00 2.784892712e+03 1.623957717e+04 1.623672815e+04 -2.302121543e+00 -1.159409545e+00 4.888258811e+03 -2.567802236e+00 -1.318748912e+00 2.32 9.671243926e+03 -3.160631506e+00 1.546197113e+03 9.671468558e+03 9.670239303e+03 -2.388226121e+00 -2.317531185e+00 2.782501495e+03 -2.648576845e+00 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