# 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 = CoPd3 # 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 3.152197310e+02 nan nan 1.16 2.897476784e+02 nan nan 1.18 2.663359943e+02 nan nan 1.20 2.448018338e+02 nan nan 1.22 2.249823956e+02 nan nan 1.24 2.067308403e+02 nan nan 1.26 1.899127390e+02 nan nan 1.28 1.744052195e+02 2.727605748e+02 3.132705361e+02 1.30 1.600974528e+02 2.524095242e+02 2.905293015e+02 1.32 1.468899875e+02 2.335575967e+02 2.694374543e+02 1.34 1.346928857e+02 2.160853010e+02 2.498634965e+02 1.36 1.234241521e+02 1.998824486e+02 2.316890854e+02 1.38 1.130089758e+02 1.848478375e+02 2.148073256e+02 1.40 1.033790117e+02 1.708897197e+02 1.991208797e+02 1.42 9.447125232e+01 1.579255480e+02 1.845399369e+02 1.44 8.622701944e+01 1.458807447e+02 1.709807478e+02 1.46 7.859166026e+01 1.346872481e+02 1.583653108e+02 1.48 7.151485773e+01 1.242822068e+02 1.466216879e+02 1.50 6.495096706e+01 1.146068602e+02 1.356841777e+02 1.52 5.885990507e+01 1.056059025e+02 1.254929905e+02 1.54 5.325006528e+01 9.722751083e+01 1.159934263e+02 1.56 4.810777524e+01 8.942374175e+01 1.071349599e+02 1.58 4.339556632e+01 8.215083717e+01 9.887074455e+01 1.60 3.907902922e+01 7.536918265e+01 9.115756021e+01 1.62 3.512628149e+01 6.904293709e+01 8.395580157e+01 1.64 3.150781044e+01 6.313954746e+01 7.722924230e+01 1.66 2.819645594e+01 5.763189888e+01 7.094464813e+01 1.68 2.516733907e+01 5.253474313e+01 6.507136838e+01 1.70 2.239767038e+01 4.783287105e+01 5.958094329e+01 1.72 1.986645979e+01 4.349631935e+01 5.447010049e+01 1.74 1.755420726e+01 3.949698625e+01 4.974378324e+01 1.76 1.544267628e+01 3.580855384e+01 4.537340247e+01 1.78 1.351482171e+01 3.240662870e+01 4.133246092e+01 1.80 1.175486684e+01 2.926890223e+01 3.759667268e+01 1.82 1.014843113e+01 2.637516568e+01 3.414370536e+01 1.84 8.682578504e+00 2.370714219e+01 3.095289584e+01 1.86 7.345728311e+00 2.124820612e+01 2.800504014e+01 1.88 6.127477192e+00 1.898309141e+01 2.528228468e+01 1.90 5.018417395e+00 1.689766166e+01 2.276806187e+01 1.92 4.009997605e+00 1.497876415e+01 2.044701511e+01 1.94 3.094422995e+00 1.321414938e+01 1.830491052e+01 1.96 2.264574397e+00 1.159242194e+01 1.632855337e+01 1.98 1.513931133e+00 1.010299350e+01 1.450571557e+01 2.00 8.364888946e-01 8.736024666e+00 1.282507478e+01 2.02 2.266708402e-01 7.482359308e+00 1.127616750e+01 2.04 -3.207603249e-01 6.333463810e+00 9.849352522e+00 2.06 -8.107732209e-01 5.281379510e+00 8.535772510e+00 2.08 -1.248106512e+00 4.318689403e+00 7.327299733e+00 2.10 -1.637272281e+00 3.438496506e+00 6.216460560e+00 2.12 -1.982535265e+00 2.634410197e+00 5.196347111e+00 2.14 -2.287884814e+00 1.900535809e+00 4.260534542e+00 2.16 -2.557010480e+00 1.231462522e+00 3.403020949e+00 2.18 -2.793283041e+00 6.222461033e-01 2.618193971e+00 2.20 -2.999740812e+00 6.838495896e-02 1.900813474e+00 2.22 -3.179086368e+00 -4.342106091e-01 1.245995493e+00 2.24 -3.333701519e+00 -8.892548227e-01 6.491906237e-01 2.26 -3.465682391e+00 -1.300126623e+00 1.061599424e-01 2.28 -3.576917048e+00 -1.669911968e+00 -3.870468429e-01 2.30 -3.669089749e+00 -2.001447331e+00 -8.341112120e-01 2.32 -3.743671235e+00 -2.297363631e+00 -1.238467270e+00 2.34 -3.802037930e+00 -2.560128891e+00 -1.603326640e+00 2.36 -3.845495679e+00 -2.792086691e+00 -1.931704184e+00 2.38 -3.876259471e+00 -2.995487138e+00 -2.226438698e+00 2.40 -3.895731898e+00 -3.172508553e+00 -2.490202936e+00 2.42 -3.904298967e+00 -3.325270832e+00 -2.725501213e+00 2.44 -3.902387262e+00 -3.455843113e+00 -2.934658361e+00 2.46 -3.890445886e+00 -3.566246859e+00 -3.119807489e+00 2.48 -3.869003086e+00 -3.658474354e+00 -3.282883320e+00 2.50 -3.838674041e+00 -3.734448501e+00 -3.425624062e+00 2.52 -3.800230972e+00 -3.795909813e+00 -3.549581051e+00 2.54 -3.754700323e+00 -3.844466946e+00 -3.656134218e+00 2.56 -3.703153862e+00 -3.881561792e+00 -3.746546080e+00 2.58 -3.646639336e+00 -3.908822661e+00 -3.821913132e+00 2.60 -3.586137099e+00 -3.928171395e+00 -3.883182765e+00 2.62 -3.522518952e+00 -3.939934920e+00 -3.931233408e+00 2.64 -3.456522449e+00 -3.944321152e+00 -3.966899224e+00 2.66 -3.388746354e+00 -3.941496094e+00 -3.991437708e+00 2.68 -3.319664406e+00 -3.931641041e+00 -4.006398774e+00 2.70 -3.249649549e+00 -3.914960149e+00 -4.012113878e+00 2.72 -3.179000504e+00 -3.891678994e+00 -4.008991348e+00 2.74 -3.107964894e+00 -3.862075595e+00 -3.997522727e+00 2.76 -3.036755988e+00 -3.826564331e+00 -3.978322031e+00 2.78 -2.965562704e+00 -3.785581478e+00 -3.952099519e+00 2.80 -2.894554467e+00 -3.739556246e+00 -3.919612782e+00 2.82 -2.823883446e+00 -3.688920973e+00 -3.881656100e+00 2.84 -2.753686243e+00 -3.634121016e+00 -3.839096259e+00 2.86 -2.684085631e+00 -3.575623383e+00 -3.792710305e+00 2.88 -2.615191748e+00 -3.513922005e+00 -3.743148521e+00 2.90 -2.547102057e+00 -3.449537010e+00 -3.690940878e+00 2.92 -2.479900216e+00 -3.383006105e+00 -3.636510427e+00 2.94 -2.413654762e+00 -3.314868052e+00 -3.580190283e+00 2.96 -2.348418642e+00 -3.245640845e+00 -3.522242092e+00 2.98 -2.284230079e+00 -3.175799257e+00 -3.462874383e+00 3.00 -2.221114580e+00 -3.105756804e+00 -3.402259145e+00 3.02 -2.159087560e+00 -3.035855521e+00 -3.340545297e+00 3.04 -2.098157076e+00 -2.966364236e+00 -3.277868341e+00 3.06 -2.038326362e+00 -2.897483595e+00 -3.214356329e+00 3.08 -1.979596043e+00 -2.829355086e+00 -3.150132846e+00 3.10 -1.921965968e+00 -2.762071653e+00 -3.085317965e+00 3.12 -1.865436631e+00 -2.695688392e+00 -3.020028080e+00 3.14 -1.810010087e+00 -2.630232564e+00 -2.954375351e+00 3.16 -1.755690304e+00 -2.565712538e+00 -2.888467295e+00 3.18 -1.702482949e+00 -2.502125363e+00 -2.822406845e+00 3.20 -1.650394663e+00 -2.439462775e+00 -2.756293092e+00 3.22 -1.599432001e+00 -2.377715615e+00 -2.690222768e+00 3.24 -1.549600235e+00 -2.316876812e+00 -2.624292407e+00 3.26 -1.500902256e+00 -2.256943201e+00 -2.558601000e+00 3.28 -1.453337755e+00 -2.197916453e+00 -2.493252759e+00 3.30 -1.406902782e+00 -2.139803354e+00 -2.428359486e+00 3.32 -1.361589714e+00 -2.082615610e+00 -2.364041901e+00 3.34 -1.317387564e+00 -2.026369277e+00 -2.300429321e+00 3.36 -1.274282514e+00 -1.971083905e+00 -2.237657287e+00 3.38 -1.232258528e+00 -1.916781473e+00 -2.175863118e+00 3.40 -1.191297914e+00 -1.863485183e+00 -2.115179919e+00 3.42 -1.151381723e+00 -1.811218211e+00 -2.055729969e+00 3.44 -1.112489942e+00 -1.760002479e+00 -1.997618666e+00 3.46 -1.074601461e+00 -1.709857535e+00 -1.940930037e+00 3.48 -1.037693863e+00 -1.660799589e+00 -1.885724372e+00 3.50 -1.001743072e+00 -1.612840723e+00 -1.832037982e+00 3.52 -9.667229675e-01 -1.565988297e+00 -1.779884664e+00 3.54 -9.326050059e-01 -1.520244531e+00 -1.729258188e+00 3.56 -8.993579441e-01 -1.475606258e+00 -1.680135294e+00 3.58 -8.669477168e-01 -1.432064835e+00 -1.632478773e+00 3.60 -8.353375246e-01 -1.389606177e+00 -1.586240459e+00 3.62 -8.044881786e-01 -1.348210945e+00 -1.541364063e+00 3.64 -7.743587434e-01 -1.307854842e+00 -1.497787797e+00 3.66 -7.449075126e-01 -1.268509056e+00 -1.455446763e+00 3.68 -7.160933398e-01 -1.230140817e+00 -1.414275065e+00 3.70 -6.878773287e-01 -1.192714079e+00 -1.374207632e+00 3.72 -6.602248493e-01 -1.156190298e+00 -1.335181760e+00 3.74 -6.331077989e-01 -1.120529270e+00 -1.297138394e+00 3.76 -6.065069546e-01 -1.085690013e+00 -1.260023157e+00 3.78 -5.804141864e-01 -1.051631621e+00 -1.223787162e+00 3.80 -5.548342230e-01 -1.018314071e+00 -1.188387567e+00 3.82 -5.297856128e-01 -9.856989499e-01 -1.153787890e+00 3.84 -5.053005300e-01 -9.537500703e-01 -1.119958046e+00 3.86 -4.814231611e-01 -9.224339995e-01 -1.086874129e+00 3.88 -4.582065849e-01 -8.917205146e-01 -1.054517923e+00 3.90 -4.357083095e-01 -8.615830255e-01 -1.022876210e+00 3.92 -4.139849060e-01 -8.319990164e-01 -9.919399047e-01 3.94 -3.930864006e-01 -8.029505455e-01 -9.617031025e-01 3.96 -3.730511887e-01 -7.744248240e-01 -9.321620875e-01 3.98 -3.539021808e-01 -7.464148691e-01 -9.033143848e-01 4.00 -3.356446675e-01 -7.189201723e-01 -8.751578968e-01 4.02 -3.182660906e-01 -6.919472820e-01 -8.476901634e-01 4.04 -3.017375892e-01 -6.655101588e-01 -8.209077631e-01 4.06 -2.860169419e-01 -6.396301379e-01 -7.948058613e-01 4.08 -2.710523939e-01 -6.143353471e-01 -7.693778935e-01 4.10 -2.567868394e-01 -5.896594764e-01 -7.446153693e-01 4.12 -2.431618971e-01 -5.656398920e-01 -7.205077744e-01 4.14 -2.301215285e-01 -5.423151858e-01 -6.970425472e-01 4.16 -2.176149683e-01 -5.197223949e-01 -6.742051104e-01 4.18 -2.055988402e-01 -4.978941802e-01 -6.519789368e-01 4.20 -1.940384120e-01 -4.768562941e-01 -6.303456353e-01 4.22 -1.829080124e-01 -4.566256161e-01 -6.092850459e-01 4.24 -1.721906730e-01 -4.372089335e-01 -5.887753355e-01 4.26 -1.618771321e-01 -4.186025078e-01 -5.687930915e-01 4.28 -1.519643597e-01 -4.007923493e-01 -5.493134124e-01 4.30 -1.424538094e-01 -3.837550352e-01 -5.303099970e-01 4.32 -1.333496072e-01 -3.674588809e-01 -5.117552393e-01 4.34 -1.246568655e-01 -3.518652960e-01 -4.936203343e-01 4.36 -1.163802567e-01 -3.369301977e-01 -4.758754063e-01 4.38 -1.085229110e-01 -3.226054127e-01 -4.584896722e-01 4.40 -1.010856276e-01 -3.088400309e-01 -4.414316526e-01 4.42 -9.406634685e-02 -2.955816979e-01 -4.246694493e-01 4.44 -8.745980944e-02 -2.827778394e-01 -4.081711045e-01 4.46 -8.125735124e-02 -2.703768099e-01 -3.919050608e-01 4.48 -7.544682086e-02 -2.583289619e-01 -3.758407385e-01 4.50 -7.001264164e-02 -2.465876345e-01 -3.599492416e-01 4.52 -6.493606344e-02 -2.351100675e-01 -3.442042001e-01 4.54 -6.019563389e-02 -2.238582495e-01 -3.285827485e-01 4.56 -5.576775475e-02 -2.127997098e-01 -3.130666083e-01 4.58 -5.162779838e-02 -2.019082548e-01 -2.976432570e-01 4.60 -4.775116611e-02 -1.911646352e-01 -2.823071071e-01 4.62 -4.411399601e-02 -1.805571151e-01 -2.670606183e-01 4.64 -4.069411255e-02 -1.700818910e-01 -2.519152326e-01 4.66 -3.747179425e-02 -1.597432978e-01 -2.368920111e-01 4.68 -3.443030886e-02 -1.495537293e-01 -2.220218436e-01 4.70 -3.155619702e-02 -1.395332061e-01 -2.073451182e-01 4.72 -2.883928285e-02 -1.297085461e-01 -1.929107727e-01 4.74 -2.627245072e-02 -1.201121275e-01 -1.787747061e-01 4.76 -2.385122202e-02 -1.107802799e-01 -1.649976038e-01 4.78 -2.157318239e-02 -1.017513948e-01 -1.516423060e-01 4.80 -1.943732126e-02 -9.306388651e-02 -1.387709220e-01 4.82 -1.744326825e-02 -8.475417168e-02 -1.264419361e-01 4.84 -1.559065521e-02 -7.685482755e-02 -1.147075614e-01 4.86 -1.387891414e-02 -6.939308744e-02 -1.036115636e-01 4.88 -1.230656638e-02 -6.238976449e-02 -9.318771305e-02 4.90 -1.087094315e-02 -5.585863815e-02 -8.345893057e-02 4.92 -9.568075459e-03 -4.980632139e-02 -7.443710939e-02 4.94 -8.392720597e-03 -4.423250911e-02 -6.612351967e-02 4.96 -7.338497875e-03 -3.913053395e-02 -5.850964719e-02 4.98 -6.398100227e-03 -3.448810850e-02 -5.157832399e-02 5.00 -5.563547716e-03 -3.028816101e-02 -4.530503769e-02 5.02 -4.826452640e-03 -2.650972295e-02 -3.965928334e-02 5.04 -4.178272173e-03 -2.312863195e-02 -3.460590720e-02 5.06 -3.610531821e-03 -2.011852537e-02 -3.010635117e-02 5.08 -3.115010108e-03 -1.745195769e-02 -2.611983890e-02 5.10 -2.683880875e-03 -1.510092889e-02 -2.260428710e-02 5.12 -2.309814152e-03 -1.303727608e-02 -1.951736536e-02 5.14 -1.986039583e-03 -1.123327640e-02 -1.681802738e-02 5.16 -1.706378028e-03 -9.662148026e-03 -1.446660866e-02 5.18 -1.465247624e-03 -8.298443527e-03 -1.242529375e-02 5.20 -1.257650425e-03 -7.118337824e-03 -1.065859532e-02 5.22 -1.079145170e-03 -6.099817173e-03 -9.133670600e-03 5.24 -9.258109064e-04 -5.222779594e-03 -7.820494919e-03 5.26 -7.942052936e-04 -4.469060077e-03 -6.691915062e-03 5.28 -6.813205545e-04 -3.822395271e-03 -5.723606824e-03 5.30 -5.845392665e-04 -3.268342502e-03 -4.893960588e-03 5.32 -5.015915399e-04 -2.794166855e-03 -4.183916679e-03 5.34 -4.305146004e-04 -2.388708343e-03 -3.576769301e-03 5.36 -3.696153883e-04 -2.042239029e-03 -3.057954376e-03 5.38 -3.174364805e-04 -1.746317785e-03 -2.614833178e-03 5.40 -2.727254185e-04 -1.493648353e-03 -2.236480467e-03 5.42 -2.344073772e-04 -1.277944595e-03 -1.913483132e-03 5.44 -2.015610072e-04 -1.093805384e-03 -1.637753085e-03 5.46 -1.733972248e-04 -9.366004550e-04 -1.402356470e-03 5.48 -1.492406913e-04 -8.023676866e-04 -1.201359927e-03 5.50 -1.285137168e-04 -6.877217168e-04 -1.029693785e-03 5.52 -1.107223210e-04 -5.897733730e-04 -8.830314336e-04 5.54 -9.544420356e-05 -5.060591715e-04 -7.576835088e-04 5.56 -8.231838562e-05 -4.344800032e-04 -6.505070868e-04 5.58 -7.103631268e-05 -3.732480788e-04 -5.588246662e-04 5.60 -6.133422411e-05 -3.208412090e-04 -4.803567828e-04 5.62 -5.298661923e-05 -2.759635397e-04 -4.131629243e-04 5.64 -4.580066855e-05 -2.375119236e-04 -3.555911679e-04 5.66 -3.961143785e-05 -2.045471820e-04 -3.062351413e-04 5.68 -3.427780973e-05 -1.762695909e-04 -2.638973113e-04 5.70 -2.967900265e-05 -1.519979996e-04 -2.275577102e-04 5.72 -2.571160093e-05 -1.311520628e-04 -1.963473271e-04 5.74 -2.228702154e-05 -1.132371340e-04 -1.695254851e-04 5.76 -1.932935344e-05 -9.783143080e-05 -1.464606192e-04 5.78 -1.677351498e-05 -8.457513335e-05 -1.266139513e-04 5.80 -1.456368232e-05 -7.316112800e-05 -1.095256277e-04 5.82 -1.265194893e-05 -6.332714837e-05 -9.480295079e-05 5.84 -1.099718187e-05 -5.484910283e-05 -8.211038614e-05 5.86 -9.564045817e-06 -4.753540867e-05 -7.116107827e-05 5.88 -8.322169948e-06 -4.122218006e-05 -6.170964455e-05 5.90 -7.245436541e-06 -3.576914016e-05 -5.354605369e-05 5.92 -6.311373295e-06 -3.105614711e-05 -4.649042354e-05 5.94 -5.500634025e-06 -2.698024064e-05 -4.038859855e-05 5.96 -4.796554708e-06 -2.345313015e-05 -3.510838845e-05 5.98 -4.184773766e-06 -2.039905744e-05 -3.053636773e-05 6.00 -3.652907159e-06 -1.775297706e-05 -2.657515098e-05