# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Au3Fe # 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 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.843664504e+02 nan nan 1.16 3.529847921e+02 nan nan 1.18 3.242060972e+02 nan nan 1.20 2.977897306e+02 nan nan 1.22 2.735270957e+02 nan nan 1.24 2.512357748e+02 nan nan 1.26 2.307518763e+02 nan nan 1.28 2.119238579e+02 3.318524086e+02 3.814042218e+02 1.30 1.946092264e+02 3.068783373e+02 3.534206158e+02 1.32 1.786742814e+02 2.837988907e+02 3.275462163e+02 1.34 1.639960383e+02 2.624631338e+02 3.036027296e+02 1.36 1.504641510e+02 2.427312251e+02 2.814263761e+02 1.38 1.379809745e+02 2.244732498e+02 2.608694397e+02 1.40 1.264598762e+02 2.075690655e+02 2.418004258e+02 1.42 1.158232123e+02 1.919084639e+02 2.241024616e+02 1.44 1.060008335e+02 1.773914036e+02 2.076708954e+02 1.46 9.692885162e+01 1.639278425e+02 1.924110402e+02 1.48 8.854830929e+01 1.514366419e+02 1.782362069e+02 1.50 8.080402702e+01 1.398438074e+02 1.650660637e+02 1.52 7.364412178e+01 1.290809266e+02 1.528256110e+02 1.54 6.702024754e+01 1.190842893e+02 1.414448450e+02 1.56 6.088809777e+01 1.097945253e+02 1.308588482e+02 1.58 5.520768778e+01 1.011564946e+02 1.210079123e+02 1.60 4.995624745e+01 9.311936407e+01 1.118373520e+02 1.62 4.513769434e+01 8.563679549e+01 1.032969758e+02 1.64 4.071989929e+01 7.866705558e+01 9.534050632e+01 1.66 3.667086099e+01 7.217286242e+01 8.792518851e+01 1.68 3.296077408e+01 6.612091628e+01 8.101151491e+01 1.70 2.956186964e+01 6.048121797e+01 7.456291022e+01 1.72 2.644851373e+01 5.522637057e+01 6.854539529e+01 1.74 2.359734006e+01 5.033883563e+01 6.292735941e+01 1.76 2.098725538e+01 4.582860084e+01 5.767947829e+01 1.78 1.859925614e+01 4.167231628e+01 5.277470325e+01 1.80 1.641608883e+01 3.784331769e+01 4.820872762e+01 1.82 1.442184875e+01 3.431624034e+01 4.397992211e+01 1.84 1.260162613e+01 3.106714017e+01 4.006415750e+01 1.86 1.094128624e+01 2.807372416e+01 3.643965594e+01 1.88 9.427422903e+00 2.531553532e+01 3.308668128e+01 1.90 8.047453197e+00 2.277399401e+01 2.998710037e+01 1.92 6.789758883e+00 2.043228624e+01 2.712391160e+01 1.94 5.643779329e+00 1.827514642e+01 2.448087990e+01 1.96 4.600015773e+00 1.628860070e+01 2.204237515e+01 1.98 3.649961409e+00 1.445973300e+01 1.979340497e+01 2.00 2.785992252e+00 1.277651650e+01 1.771974918e+01 2.02 2.001247711e+00 1.122772463e+01 1.580809283e+01 2.04 1.289516466e+00 9.802907341e+00 1.404609614e+01 2.06 6.451332566e-01 8.492400847e+00 1.242239102e+01 2.08 6.288731849e-02 7.287336304e+00 1.092652806e+01 2.10 -4.620574454e-01 6.179623634e+00 9.548906326e+00 2.12 -9.342288442e-01 5.161903709e+00 8.280707090e+00 2.14 -1.357895277e+00 4.227476001e+00 7.113835337e+00 2.16 -1.737092424e+00 3.370215119e+00 6.040862072e+00 2.18 -2.075626333e+00 2.584489816e+00 5.054960196e+00 2.20 -2.377058446e+00 1.865094794e+00 4.149832385e+00 2.22 -2.644684819e+00 1.207200578e+00 3.319635990e+00 2.24 -2.881522647e+00 6.063208187e-01 2.558914466e+00 2.26 -3.090311150e+00 5.829184442e-02 1.862545292e+00 2.28 -3.273525540e+00 -4.407422170e-01 1.225710030e+00 2.30 -3.433398144e+00 -8.943439067e-01 6.438847423e-01 2.32 -3.571941171e+00 -1.305799087e+00 1.128428861e-01 2.34 -3.690968250e+00 -1.678136250e+00 -3.713389749e-01 2.36 -3.792113908e+00 -2.014147918e+00 -8.122798557e-01 2.38 -3.876850974e+00 -2.316413221e+00 -1.213300928e+00 2.40 -3.946506290e+00 -2.587320775e+00 -1.577440585e+00 2.42 -4.002275219e+00 -2.829091181e+00 -1.907476913e+00 2.44 -4.045243577e+00 -3.043798587e+00 -2.205955460e+00 2.46 -4.076661266e+00 -3.233390802e+00 -2.475219390e+00 2.48 -4.097237134e+00 -3.399707369e+00 -2.717438512e+00 2.50 -4.107438591e+00 -3.544495006e+00 -2.934633587e+00 2.52 -4.107757655e+00 -3.669420102e+00 -3.128693229e+00 2.54 -4.098694172e+00 -3.776078309e+00 -3.301382628e+00 2.56 -4.080763559e+00 -3.866001155e+00 -3.454345691e+00 2.58 -4.054500610e+00 -3.940658732e+00 -3.589103867e+00 2.60 -4.020445137e+00 -4.001456541e+00 -3.707055088e+00 2.62 -3.979155908e+00 -4.049724972e+00 -3.809475049e+00 2.64 -3.931247888e+00 -4.086702288e+00 -3.897521470e+00 2.66 -3.877335573e+00 -4.113569425e+00 -3.972240865e+00 2.68 -3.817953787e+00 -4.131547190e+00 -4.034577055e+00 2.70 -3.753670557e+00 -4.141267273e+00 -4.085380925e+00 2.72 -3.685073464e+00 -4.143207616e+00 -4.125421358e+00 2.74 -3.612735441e+00 -4.137812301e+00 -4.155440194e+00 2.76 -3.537190879e+00 -4.125491332e+00 -4.176303804e+00 2.78 -3.458925010e+00 -4.106636901e+00 -4.188402645e+00 2.80 -3.378375399e+00 -4.081632091e+00 -4.192082881e+00 2.82 -3.295941673e+00 -4.050844246e+00 -4.187738776e+00 2.84 -3.211999109e+00 -4.014621744e+00 -4.175814651e+00 2.86 -3.126912362e+00 -3.973322886e+00 -4.156810740e+00 2.88 -3.041046618e+00 -3.927307416e+00 -4.131275329e+00 2.90 -2.954774249e+00 -3.876855620e+00 -4.099783503e+00 2.92 -2.868475854e+00 -3.822227692e+00 -4.062896352e+00 2.94 -2.782535403e+00 -3.763713733e+00 -4.021160414e+00 2.96 -2.697330267e+00 -3.701628394e+00 -3.975056194e+00 2.98 -2.613217928e+00 -3.636307090e+00 -3.924923624e+00 3.00 -2.530521781e+00 -3.568103445e+00 -3.871066515e+00 3.02 -2.449518567e+00 -3.497386481e+00 -3.813769542e+00 3.04 -2.370429492e+00 -3.424535984e+00 -3.753296977e+00 3.06 -2.293416215e+00 -3.349935018e+00 -3.689895450e+00 3.08 -2.218581860e+00 -3.273959736e+00 -3.623798764e+00 3.10 -2.145976328e+00 -3.196967971e+00 -3.555233366e+00 3.12 -2.075604640e+00 -3.119289020e+00 -3.484423747e+00 3.14 -2.007436846e+00 -3.041217002e+00 -3.411597410e+00 3.16 -1.941418132e+00 -2.963009229e+00 -3.336989221e+00 3.18 -1.877478100e+00 -2.884889543e+00 -3.260844939e+00 3.20 -1.815538549e+00 -2.807055228e+00 -3.183423604e+00 3.22 -1.755519456e+00 -2.729685329e+00 -3.104998411e+00 3.24 -1.697343143e+00 -2.652948287e+00 -3.025855682e+00 3.26 -1.640936823e+00 -2.577007292e+00 -2.946291716e+00 3.28 -1.586233840e+00 -2.502022619e+00 -2.866607553e+00 3.30 -1.533173926e+00 -2.428150974e+00 -2.787102030e+00 3.32 -1.481702821e+00 -2.355542487e+00 -2.708063842e+00 3.34 -1.431771519e+00 -2.284336313e+00 -2.629763588e+00 3.36 -1.383335370e+00 -2.214655923e+00 -2.552446828e+00 3.38 -1.336353150e+00 -2.146605009e+00 -2.476329060e+00 3.40 -1.290786224e+00 -2.080264663e+00 -2.401593182e+00 3.42 -1.246597815e+00 -2.015692173e+00 -2.328389548e+00 3.44 -1.203752411e+00 -1.952921421e+00 -2.256838272e+00 3.46 -1.162215279e+00 -1.891964661e+00 -2.187033026e+00 3.48 -1.121952097e+00 -1.832815271e+00 -2.119045391e+00 3.50 -1.082928661e+00 -1.775451049e+00 -2.052928828e+00 3.52 -1.045110666e+00 -1.719837660e+00 -1.988721572e+00 3.54 -1.008463519e+00 -1.665931902e+00 -1.926448126e+00 3.56 -9.729522017e-01 -1.613684603e+00 -1.866119519e+00 3.58 -9.385411518e-01 -1.563043022e+00 -1.807732800e+00 3.60 -9.051941638e-01 -1.513952727e+00 -1.751270441e+00 3.62 -8.728743065e-01 -1.466358977e+00 -1.696700268e+00 3.64 -8.415438593e-01 -1.420207684e+00 -1.643976292e+00 3.66 -8.111642700e-01 -1.375446003e+00 -1.593040514e+00 3.68 -7.816961426e-01 -1.332022673e+00 -1.543825502e+00 3.70 -7.530992656e-01 -1.289888145e+00 -1.496257372e+00 3.72 -7.253326953e-01 -1.248994598e+00 -1.450258796e+00 3.74 -6.983549105e-01 -1.209295877e+00 -1.405751716e+00 3.76 -6.721240589e-01 -1.170747404e+00 -1.362659583e+00 3.78 -6.465983165e-01 -1.133306087e+00 -1.320909048e+00 3.80 -6.217363822e-01 -1.096930244e+00 -1.280431121e+00 3.82 -5.974981250e-01 -1.061579554e+00 -1.241161883e+00 3.84 -5.738453996e-01 -1.027215022e+00 -1.203042844e+00 3.86 -5.507430305e-01 -9.937989638e-01 -1.166021028e+00 3.88 -5.281599480e-01 -9.612949933e-01 -1.130048863e+00 3.90 -5.060704359e-01 -9.296679966e-01 -1.095083935e+00 3.92 -4.844554121e-01 -8.988840966e-01 -1.061088626e+00 3.94 -4.633036317e-01 -8.689106036e-01 -1.028029695e+00 3.96 -4.426126480e-01 -8.397159477e-01 -9.958777753e-01 3.98 -4.223893614e-01 -8.112696249e-01 -9.646068625e-01 4.00 -4.026499550e-01 -7.835421624e-01 -9.341937718e-01 4.02 -3.834190622e-01 -7.565051330e-01 -9.046176063e-01 4.04 -3.647280767e-01 -7.301312440e-01 -8.758592473e-01 4.06 -3.466126385e-01 -7.043945249e-01 -8.479008870e-01 4.08 -3.291094672e-01 -6.792706296e-01 -8.207256148e-01 4.10 -3.122528580e-01 -6.547372607e-01 -7.943170634e-01 4.12 -2.960712499e-01 -6.307747248e-01 -7.686591206e-01 4.14 -2.805842995e-01 -6.073665533e-01 -7.437357019e-01 4.16 -2.658008330e-01 -5.845002004e-01 -7.195305804e-01 4.18 -2.517179100e-01 -5.621677059e-01 -6.960272657e-01 4.20 -2.383210570e-01 -5.403662503e-01 -6.732089246e-01 4.22 -2.255855679e-01 -5.190984944e-01 -6.510583319e-01 4.24 -2.134786027e-01 -4.983725932e-01 -6.295578467e-01 4.26 -2.019618110e-01 -4.782017915e-01 -6.086894033e-01 4.28 -1.909941322e-01 -4.586035410e-01 -5.884345130e-01 4.30 -1.805345049e-01 -4.395981387e-01 -5.687742706e-01 4.32 -1.705442627e-01 -4.212069587e-01 -5.496893626e-01 4.34 -1.609890658e-01 -4.034504173e-01 -5.311600734e-01 4.36 -1.518402727e-01 -3.863458750e-01 -5.131662900e-01 4.38 -1.430757102e-01 -3.699057006e-01 -4.956875023e-01 4.40 -1.346798307e-01 -3.541357082e-01 -4.787028007e-01 4.42 -1.266432964e-01 -3.390341286e-01 -4.621908715e-01 4.44 -1.189620528e-01 -3.245911926e-01 -4.461299911e-01 4.46 -1.116359997e-01 -3.107893179e-01 -4.304980223e-01 4.48 -1.046674021e-01 -2.976038147e-01 -4.152724147e-01 4.50 -9.805920594e-02 -2.850039720e-01 -4.004302136e-01 4.52 -9.181343296e-02 -2.729543673e-01 -3.859480789e-01 4.54 -8.592981239e-02 -2.614162492e-01 -3.718023379e-01 4.56 -8.040477077e-02 -2.503488716e-01 -3.579690311e-01 4.58 -7.523084717e-02 -2.397106968e-01 -3.444240242e-01 4.60 -7.039654296e-02 -2.294604221e-01 -3.311431442e-01 4.62 -6.588656260e-02 -2.195578220e-01 -3.181023686e-01 4.64 -6.168236109e-02 -2.099644190e-01 -3.052780765e-01 4.66 -5.776289668e-02 -2.006440159e-01 -2.926473674e-01 4.68 -5.410549185e-02 -1.915631258e-01 -2.801884596e-01 4.70 -5.068670463e-02 -1.826913388e-01 -2.678811704e-01 4.72 -4.748278710e-02 -1.740016580e-01 -2.557074821e-01 4.74 -4.447116485e-02 -1.654708282e-01 -2.436521873e-01 4.76 -4.163091163e-02 -1.570796720e-01 -2.317035998e-01 4.78 -3.894276103e-02 -1.488134325e-01 -2.198543064e-01 4.80 -3.638953004e-02 -1.406621081e-01 -2.081019208e-01 4.82 -3.395639828e-02 -1.326207626e-01 -1.964497874e-01 4.84 -3.163106301e-02 -1.246897498e-01 -1.849075692e-01 4.86 -2.940378606e-02 -1.168748345e-01 -1.734916438e-01 4.88 -2.726734448e-02 -1.091871383e-01 -1.622252284e-01 4.90 -2.521689308e-02 -1.016428676e-01 -1.511381588e-01 4.92 -2.324974540e-02 -9.426278822e-02 -1.402662671e-01 4.94 -2.136507892e-02 -8.707142762e-02 -1.296503313e-01 4.96 -1.956335279e-02 -8.009601482e-02 -1.193346111e-01 4.98 -1.784630224e-02 -7.336519962e-02 -1.093650344e-01 5.00 -1.621652255e-02 -6.690762535e-02 -9.978714421e-02 5.02 -1.467683320e-02 -6.075045472e-02 -9.064395615e-02 5.04 -1.322986974e-02 -5.491796086e-02 -8.197389847e-02 5.06 -1.187772834e-02 -4.943029668e-02 -7.380900493e-02 5.08 -1.062168488e-02 -4.430253845e-02 -6.617350776e-02 5.10 -9.462002659e-03 -3.954387832e-02 -5.908293338e-02 5.12 -8.397833933e-03 -3.515763142e-02 -5.254374312e-02 5.14 -7.427211057e-03 -3.114161189e-02 -4.655350890e-02 5.16 -6.547115455e-03 -2.748816226e-02 -4.110155897e-02 5.18 -5.753606982e-03 -2.418483251e-02 -3.616998702e-02 5.20 -5.041993769e-03 -2.121518488e-02 -3.173485592e-02 5.22 -4.407022728e-03 -1.855927409e-02 -2.776708919e-02 5.24 -3.843073144e-03 -1.619577951e-02 -2.423519790e-02 5.26 -3.344339394e-03 -1.410224033e-02 -2.110582994e-02 5.28 -2.904993016e-03 -1.225556859e-02 -1.834436211e-02 5.30 -2.519318391e-03 -1.063274908e-02 -1.591677565e-02 5.32 -2.181819834e-03 -9.211391841e-03 -1.378999560e-02 5.34 -1.887300581e-03 -7.970143596e-03 -1.193235035e-02 5.36 -1.630916032e-03 -6.888971924e-03 -1.031404364e-02 5.38 -1.408204736e-03 -5.949340781e-03 -8.907450476e-03 5.40 -1.215101047e-03 -5.134297190e-03 -7.687269996e-03 5.42 -1.047933411e-03 -4.428488542e-03 -6.630567198e-03 5.44 -9.034119656e-04 -3.818128171e-03 -5.716732050e-03 5.46 -7.786086441e-04 -3.290924410e-03 -4.927380351e-03 5.48 -6.709324654e-04 -2.835985725e-03 -4.246216330e-03 5.50 -5.781021494e-04 -2.443711897e-03 -3.658872718e-03 5.52 -4.981176951e-04 -2.105678916e-03 -3.152740325e-03 5.54 -4.292321311e-04 -1.814523209e-03 -2.716795173e-03 5.56 -3.699242870e-04 -1.563829163e-03 -2.341433867e-03 5.58 -3.188731413e-04 -1.348022590e-03 -2.018309843e-03 5.60 -2.749340796e-04 -1.162271726e-03 -1.740188671e-03 5.62 -2.371172257e-04 -1.002396613e-03 -1.500811691e-03 5.64 -2.045678850e-04 -8.647871291e-04 -1.294773379e-03 5.66 -1.765490578e-04 -7.463295675e-04 -1.117411464e-03 5.68 -1.524259189e-04 -6.443413853e-04 -9.647092567e-04 5.70 -1.316521296e-04 -5.565135917e-04 -8.332094003e-04 5.72 -1.137578284e-04 -4.808601566e-04 -7.199381270e-04 5.74 -9.833914046e-05 -4.156737862e-04 -6.223390400e-04 5.76 -8.504904598e-05 -3.594874071e-04 -5.382154418e-04 5.78 -7.358945741e-05 -3.110407289e-04 -4.656802670e-04 5.80 -6.370436145e-05 -2.692512919e-04 -4.031127290e-04 5.82 -5.517389606e-05 -2.331894531e-04 -3.491208633e-04 5.84 -4.780924378e-05 -2.020568130e-04 -3.025092245e-04 5.86 -4.144823523e-05 -1.751676392e-04 -2.622510692e-04 5.88 -3.595156847e-05 -1.519328884e-04 -2.274644310e-04 5.90 -3.119956123e-05 -1.318464783e-04 -1.973915642e-04 5.92 -2.708936273e-05 -1.144735012e-04 -1.713812945e-04 5.94 -2.353256173e-05 -9.944011100e-05 -1.488738761e-04 5.96 -2.045313526e-05 -8.642484935e-05 -1.293880043e-04 5.98 -1.778569012e-05 -7.515121028e-05 -1.125096815e-04 6.00 -1.547395562e-05 -6.538126610e-05 -9.788267307e-05