# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Al-Co # implementation = 2015--Purja-Pun-G-P--Al-Co--LAMMPS--ipr2 # 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 3.759136900e+02 nan 0.82 nan nan nan nan nan nan nan nan 3.432046036e+02 nan 0.84 nan nan nan nan nan nan nan nan 3.134174649e+02 nan 0.86 nan nan nan nan nan 2.381294273e+02 nan nan 2.862416733e+02 nan 0.88 nan nan nan nan nan 2.172934033e+02 nan nan 2.614864353e+02 nan 0.90 nan nan nan nan nan 1.983944086e+02 nan nan 2.389821233e+02 nan 0.92 nan nan nan nan nan 1.811986153e+02 nan nan 2.184026649e+02 nan 0.94 nan nan nan nan nan 1.654523787e+02 nan nan 1.995024389e+02 nan 0.96 nan nan nan nan nan 1.509560166e+02 nan nan 1.821672149e+02 nan 0.98 nan nan nan 3.875814499e+02 3.875670340e+02 1.374826669e+02 nan nan 1.662794202e+02 2.499275196e+02 1.00 nan 2.303630597e+02 nan 3.599245977e+02 3.599086915e+02 1.249046331e+02 2.349187775e+02 nan 1.517270763e+02 2.301550144e+02 1.02 nan 2.123147411e+02 nan 3.343929355e+02 3.343581212e+02 1.132766131e+02 2.164555772e+02 nan 1.384326151e+02 2.119243609e+02 1.04 nan 1.955899105e+02 nan 3.107698166e+02 3.107030300e+02 1.025771583e+02 1.993626653e+02 nan 1.263261209e+02 1.951247155e+02 1.06 nan 1.801158003e+02 nan 2.889167627e+02 2.888296467e+02 9.266808748e+01 1.835322188e+02 nan 1.152816370e+02 1.795887310e+02 1.08 nan 1.657959293e+02 nan 2.686969866e+02 2.686312067e+02 8.343544346e+01 1.688763285e+02 nan 1.051351843e+02 1.652101084e+02 1.10 nan 1.524898895e+02 nan 2.499354232e+02 2.499199292e+02 7.481295580e+01 1.552729094e+02 2.309029806e+02 9.575774522e+01 1.519911214e+02 1.12 2.323808788e+02 1.401129721e+02 2.071579710e+02 2.324549987e+02 2.324881169e+02 6.674472616e+01 1.426563591e+02 2.142868193e+02 8.705383436e+01 1.398947191e+02 1.14 2.159311726e+02 1.286079294e+02 1.920195222e+02 2.161584540e+02 2.162362419e+02 5.919271208e+01 1.309944137e+02 1.988621835e+02 7.892666302e+01 1.287561985e+02 1.16 2.006923427e+02 1.179106373e+02 1.778901864e+02 2.009760890e+02 2.010914335e+02 5.238351262e+01 1.202326816e+02 1.845514879e+02 7.128483140e+01 1.184704449e+02 1.18 1.865684866e+02 1.079519749e+02 1.646828571e+02 1.868025957e+02 1.869267727e+02 4.635956355e+01 1.103075988e+02 1.712468837e+02 6.408019812e+01 1.090329079e+02 1.20 1.734172539e+02 9.869229773e+01 1.523613681e+02 1.735119924e+02 1.736116990e+02 4.104032030e+01 1.011877186e+02 1.588057127e+02 5.729186041e+01 1.003458387e+02 1.22 1.611005488e+02 9.008636641e+01 1.408725098e+02 1.610356736e+02 1.610937654e+02 3.635601619e+01 9.284659507e+01 1.471021729e+02 5.111573441e+01 9.224902712e+01 1.24 1.494986472e+02 8.206850602e+01 1.301418428e+02 1.493503441e+02 1.493669905e+02 3.222160015e+01 8.519947605e+01 1.360709898e+02 4.558856698e+01 8.460537117e+01 1.26 1.385489345e+02 7.457437977e+01 1.201212249e+02 1.384142095e+02 1.383990471e+02 2.854815475e+01 7.810503440e+01 1.257055899e+02 4.063556471e+01 7.733769479e+01 1.28 1.282239727e+02 6.757126758e+01 1.107412098e+02 1.281626734e+02 1.281364172e+02 2.525881855e+01 7.143580034e+01 1.160059709e+02 3.619404355e+01 7.042712818e+01 1.30 1.185142827e+02 6.107229206e+01 1.019112709e+02 1.185433594e+02 1.185292390e+02 2.229831811e+01 6.511842736e+01 1.069490245e+02 3.222181899e+01 6.388175201e+01 1.32 1.094248663e+02 5.508356069e+01 9.359198061e+01 1.095249960e+02 1.095291027e+02 1.963003185e+01 5.912170669e+01 9.850951101e+01 2.868634406e+01 5.768774035e+01 1.34 1.009612768e+02 4.974460291e+01 8.582702019e+01 1.010825722e+02 1.010895200e+02 1.724474815e+01 5.351045554e+01 9.066125117e+01 2.555129915e+01 5.196972626e+01 1.36 9.310103557e+01 4.502075291e+01 7.866906550e+01 9.318614045e+01 9.317743339e+01 1.514303505e+01 4.841699261e+01 8.336752565e+01 2.277423387e+01 4.677455029e+01 1.38 8.581051447e+01 4.080614724e+01 7.210173408e+01 8.581391744e+01 8.578006709e+01 1.330919254e+01 4.378697743e+01 7.658460152e+01 2.030526691e+01 4.205895227e+01 1.40 7.902695116e+01 3.700768462e+01 6.605470803e+01 7.894338505e+01 7.888420982e+01 1.170903843e+01 3.956202267e+01 7.025930780e+01 1.809289097e+01 3.779892482e+01 1.42 7.267658797e+01 3.357421779e+01 6.045879635e+01 7.253714292e+01 7.245691628e+01 1.030142691e+01 3.570317344e+01 6.434251592e+01 1.609884894e+01 3.397528277e+01 1.44 6.671579547e+01 3.048030015e+01 5.527657739e+01 6.655156573e+01 6.645154555e+01 9.054826381e+00 3.218773522e+01 5.879404547e+01 1.430086430e+01 3.056548257e+01 1.46 6.111346239e+01 2.769345262e+01 5.059797611e+01 6.094073502e+01 6.082117464e+01 7.949075505e+00 2.899825707e+01 5.362533005e+01 1.268312310e+01 2.752765427e+01 1.48 5.583704588e+01 2.517393921e+01 4.636282837e+01 5.566998579e+01 5.554023576e+01 6.964693062e+00 2.611801084e+01 4.894210631e+01 1.123260878e+01 2.480316463e+01 1.50 5.099163493e+01 2.289320216e+01 4.248287170e+01 5.085230942e+01 5.073519075e+01 6.082403496e+00 2.352331181e+01 4.469619060e+01 9.937172459e+00 2.233680918e+01 1.52 4.660154865e+01 2.083285964e+01 3.890707803e+01 4.650350905e+01 4.641752903e+01 5.286112372e+00 2.118100524e+01 4.084146373e+01 8.779300117e+00 2.008716364e+01 1.54 4.263657451e+01 1.896984277e+01 3.561715701e+01 4.258198173e+01 4.253687235e+01 4.565555434e+00 1.905867026e+01 3.734018190e+01 7.736683325e+00 1.803365095e+01 1.56 3.905297191e+01 1.726828283e+01 3.260745971e+01 3.904071792e+01 3.903725207e+01 3.915641412e+00 1.713170557e+01 3.415294492e+01 6.791929827e+00 1.617103316e+01 1.58 3.579201789e+01 1.569815380e+01 2.986359360e+01 3.582685638e+01 3.586072189e+01 3.333822923e+00 1.538615405e+01 3.124178389e+01 5.934698556e+00 1.449973719e+01 1.60 3.279665960e+01 1.424680430e+01 2.735516960e+01 3.288689777e+01 3.295248226e+01 2.816829577e+00 1.381348409e+01 2.857597512e+01 5.157299511e+00 1.301116259e+01 1.62 3.003525697e+01 1.291263655e+01 2.504842681e+01 3.017958550e+01 3.027007677e+01 2.360480062e+00 1.240191985e+01 2.613654195e+01 4.451447593e+00 1.168454346e+01 1.64 2.750419064e+01 1.169153658e+01 2.291618334e+01 2.768140116e+01 2.778786049e+01 1.959806086e+00 1.113534588e+01 2.391187441e+01 3.809003992e+00 1.049437318e+01 1.66 2.520404333e+01 1.057110724e+01 2.093688932e+01 2.537950998e+01 2.549146615e+01 1.607281290e+00 9.998270237e+00 2.188613001e+01 3.223686915e+00 9.418172825e+00 1.68 2.311571415e+01 9.534481020e+00 1.909602505e+01 2.325947745e+01 2.336700226e+01 1.293883256e+00 8.975839849e+00 2.003844985e+01 2.691002689e+00 8.438045758e+00 1.70 2.121057716e+01 8.569246276e+00 1.739130905e+01 2.130868641e+01 2.140384780e+01 1.012767722e+00 8.054507953e+00 1.834933601e+01 2.206665536e+00 7.541727610e+00 1.72 1.946432392e+01 7.671242644e+00 1.583008469e+01 1.951743345e+01 1.959484395e+01 7.616569597e-01 7.222634095e+00 1.680353938e+01 1.766635100e+00 6.719107126e+00 1.74 1.786000679e+01 6.841167779e+00 1.441718455e+01 1.787651047e+01 1.793341479e+01 5.407944211e-01 6.468717537e+00 1.538814719e+01 1.367439197e+00 5.961174470e+00 1.76 1.638665046e+01 6.079600420e+00 1.314467349e+01 1.637630000e+01 1.641182412e+01 3.495381306e-01 5.778832697e+00 1.409315340e+01 1.006065545e+00 5.262492914e+00 1.78 1.503552901e+01 5.382691803e+00 1.199293073e+01 1.500537869e+01 1.501917945e+01 1.847445358e-01 5.138745913e+00 1.290704403e+01 6.789501923e-01 4.620834388e+00 1.80 1.379691355e+01 4.742145048e+00 1.094184958e+01 1.375062623e+01 1.374235490e+01 4.260386647e-02 4.538505877e+00 1.181589875e+01 3.823561154e-01 4.033955546e+00 1.82 1.265888063e+01 4.147702526e+00 9.978292630e+00 1.259938588e+01 1.256961634e+01 -7.989571760e-02 3.973589229e+00 1.080603994e+01 1.141556106e-01 3.497197198e+00 1.84 1.160807403e+01 3.589911857e+00 9.093419156e+00 1.154078987e+01 1.149233559e+01 -1.854620117e-01 3.442567908e+00 9.867055525e+00 -1.267764525e-01 3.003982802e+00 1.86 1.063276421e+01 3.062551925e+00 8.276521301e+00 1.056511899e+01 1.050294075e+01 -2.773847726e-01 2.944508717e+00 8.992965442e+00 -3.420137849e-01 2.548918322e+00 1.88 9.725221759e+00 2.563353125e+00 7.516519855e+00 9.664155072e+00 9.594767070e+00 -3.588434332e-01 2.478012073e+00 8.179954671e+00 -5.343002699e-01 2.129290285e+00 1.90 8.879351907e+00 2.092238390e+00 6.804136415e+00 8.830268798e+00 8.761321858e+00 -4.329257919e-01 2.041465951e+00 7.423806642e+00 -7.070267751e-01 1.743104858e+00 1.92 8.088973296e+00 1.649453054e+00 6.132585225e+00 8.055658871e+00 7.994758809e+00 -5.055173839e-01 1.633267535e+00 6.719681238e+00 -8.631157189e-01 1.387519116e+00 1.94 7.349563468e+00 1.235262664e+00 5.497645499e+00 7.333319416e+00 7.285975304e+00 -5.836225074e-01 1.251704134e+00 6.063430843e+00 -1.004722132e+00 1.059824377e+00 1.96 6.658966193e+00 8.488982107e-01 4.897750378e+00 6.657816250e+00 6.626272082e+00 -6.723651808e-01 8.948530721e-01 5.451873347e+00 -1.132961979e+00 7.587083044e-01 1.98 6.016133121e+00 4.880434394e-01 4.332927637e+00 6.025284126e+00 6.008998356e+00 -7.723254619e-01 5.611046066e-01 4.881636165e+00 -1.248517104e+00 4.838983587e-01 2.00 5.419525782e+00 1.492387118e-01 3.801773789e+00 5.432845706e+00 5.429538307e+00 -8.774966754e-01 2.496290741e-01 4.348688862e+00 -1.351903141e+00 2.344657126e-01 2.02 4.865263588e+00 -1.701138928e-01 3.300784990e+00 4.877982710e+00 4.884910490e+00 -9.826244771e-01 -3.979410796e-02 3.847748673e+00 -1.444102136e+00 8.160843134e-03 2.04 4.346988259e+00 -4.717594834e-01 2.825996896e+00 4.357530535e+00 4.372420113e+00 -1.083717657e+00 -3.071090242e-01 3.372463237e+00 -1.528146574e+00 -1.984685972e-01 2.06 3.857676870e+00 -7.563758028e-01 2.375291285e+00 3.867268937e+00 3.888486931e+00 -1.178272458e+00 -5.524104970e-01 2.917614329e+00 -1.607527331e+00 -3.884865064e-01 2.08 3.392257856e+00 -1.023841001e+00 1.948643165e+00 3.403110337e+00 3.429318837e+00 -1.265710849e+00 -7.763610732e-01 2.479974757e+00 -1.685504762e+00 -5.634741422e-01 2.10 2.947501244e+00 -1.273363221e+00 1.547337626e+00 2.961297552e+00 2.991221711e+00 -1.345300684e+00 -9.801208707e-01 2.058266005e+00 -1.765029547e+00 -7.240938744e-01 2.12 2.520579996e+00 -1.504127577e+00 1.171009565e+00 2.538002054e+00 2.570406066e+00 -1.417184227e+00 -1.165357147e+00 1.652068492e+00 -1.847438821e+00 -8.714659141e-01 2.14 2.108260639e+00 -1.715516553e+00 8.170286856e-01 2.129524740e+00 2.163420011e+00 -1.482907087e+00 -1.333808695e+00 1.261714636e+00 -1.931102205e+00 -1.007884944e+00 2.16 1.708602994e+00 -1.906920029e+00 4.820420335e-01 1.733849201e+00 1.768453411e+00 -1.544565866e+00 -1.486989019e+00 8.887163772e-01 -2.013859894e+00 -1.135320487e+00 2.18 1.322060222e+00 -2.078457504e+00 1.627787292e-01 1.351231740e+00 1.385644123e+00 -1.604127523e+00 -1.626180444e+00 5.347227065e-01 -2.093303808e+00 -1.255026788e+00 2.20 9.505746269e-01 -2.230925106e+00 -1.430778337e-01 9.829892965e-01 1.015994108e+00 -1.662953523e+00 -1.752525941e+00 2.009488363e-01 -2.167147768e+00 -1.367880759e+00 2.22 5.970655786e-01 -2.365753220e+00 -4.366531339e-01 6.309125861e-01 6.609973336e-01 -1.721789377e+00 -1.866921524e+00 -1.120976186e-01 -2.233903999e+00 -1.474505136e+00 2.24 2.643231250e-01 -2.485091154e+00 -7.180685889e-01 2.966262895e-01 3.221391209e-01 -1.781006759e+00 -1.970355693e+00 -4.046846406e-01 -2.293791573e+00 -1.576339455e+00 2.26 -4.638050931e-02 -2.591498277e+00 -9.866710832e-01 -1.905883100e-02 4.458156709e-04 -1.840938343e+00 -2.064587665e+00 -6.779403206e-01 -2.347774298e+00 -1.675588591e+00 2.28 -3.358475967e-01 -2.687385870e+00 -1.241151599e+00 -3.163627901e-01 -3.037528013e-01 -1.901712832e+00 -2.151276862e+00 -9.332361164e-01 -2.397017834e+00 -1.774292066e+00 2.30 -6.062572207e-01 -2.774504455e+00 -1.479550911e+00 -5.960917194e-01 -5.905598112e-01 -1.962758139e+00 -2.231601141e+00 -1.171602754e+00 -2.442435509e+00 -1.874070576e+00 2.32 -8.598804602e-01 -2.853802990e+00 -1.700047584e+00 -8.590328985e-01 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