# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Dong-W-P-Kim-H-K-Ko-W-S-et-al--Co-Al # implementation = 2012--Dong-W-P--Co-Al--LAMMPS--ipr1 # composition = AlCo3 # 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 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 2.996775091e+02 nan nan 0.86 2.795278253e+02 nan nan 0.88 2.606292038e+02 nan nan 0.90 2.429073875e+02 nan nan 0.92 2.262923825e+02 2.722026533e+02 nan 0.94 2.107182213e+02 2.552984846e+02 3.561258747e+02 0.96 1.961227391e+02 2.393600241e+02 3.364056191e+02 0.98 1.824473613e+02 2.243344548e+02 3.176615045e+02 1.00 1.696369031e+02 2.101717735e+02 2.998465534e+02 1.02 1.576393794e+02 1.968246434e+02 2.829163214e+02 1.04 1.464058246e+02 1.842482544e+02 2.668287485e+02 1.06 1.358901228e+02 1.724001909e+02 2.515440150e+02 1.08 1.260488468e+02 1.612403058e+02 2.370244033e+02 1.10 1.168411059e+02 1.507306017e+02 2.232341647e+02 1.12 1.082284023e+02 1.408351180e+02 2.101393939e+02 1.14 1.001744947e+02 1.315198236e+02 1.977079080e+02 1.16 9.264527027e+01 1.227525155e+02 1.859091331e+02 1.18 8.560862298e+01 1.145027227e+02 1.747139976e+02 1.20 7.903433894e+01 1.067416145e+02 1.640948313e+02 1.22 7.289398808e+01 9.944191465e+01 1.540252732e+02 1.24 6.716082183e+01 9.257781876e+01 1.444801838e+02 1.26 6.180967649e+01 8.612491683e+01 1.354355661e+02 1.28 5.681688203e+01 8.006011947e+01 1.268684921e+02 1.30 5.216017591e+01 7.436158804e+01 1.187570361e+02 1.32 4.781862185e+01 6.900866846e+01 1.110802136e+02 1.34 4.377253308e+01 6.398182835e+01 1.038179264e+02 1.36 4.000339995e+01 5.926259763e+01 9.695091293e+01 1.38 3.649382160e+01 5.483351204e+01 9.046070322e+01 1.40 3.322744152e+01 5.067805972e+01 8.432957898e+01 1.42 3.018888675e+01 4.678063058e+01 7.854053731e+01 1.44 2.736371052e+01 4.312646823e+01 7.307725834e+01 1.46 2.473833819e+01 3.970162454e+01 6.792407597e+01 1.48 2.230001618e+01 3.649291648e+01 6.306595164e+01 1.50 2.003676391e+01 3.348788530e+01 5.848845041e+01 1.52 1.793732846e+01 3.067475778e+01 5.417771920e+01 1.54 1.599114177e+01 2.804240958e+01 5.012046684e+01 1.56 1.418828033e+01 2.558033047e+01 4.630394554e+01 1.58 1.251942724e+01 2.327859140e+01 4.271593356e+01 1.60 1.097583633e+01 2.112781329e+01 3.934471893e+01 1.62 9.549298441e+00 1.911913749e+01 3.617908385e+01 1.64 8.232109623e+00 1.724419779e+01 3.320828978e+01 1.66 7.017041149e+00 1.549509386e+01 3.042206297e+01 1.68 5.897311278e+00 1.386436616e+01 2.781058029e+01 1.70 4.866558666e+00 1.234497212e+01 2.536445546e+01 1.72 3.918817282e+00 1.093026362e+01 2.307472535e+01 1.74 3.048492820e+00 9.613965632e+00 2.093283653e+01 1.76 2.250340449e+00 8.390155982e+00 1.893063189e+01 1.78 1.519443883e+00 7.253246240e+00 1.706033742e+01 1.80 8.511956481e-01 6.197963564e+00 1.531454904e+01 1.82 2.412785257e-01 5.219333538e+00 1.368621960e+01 1.84 -3.143519450e-01 4.312663913e+00 1.216864591e+01 1.86 -8.194839185e-01 3.473529215e+00 1.075545601e+01 1.88 -1.277664748e+00 2.697756171e+00 9.440596496e+00 1.90 -1.692215567e+00 1.981409915e+00 8.218320036e+00 1.92 -2.066245024e+00 1.320780922e+00 7.083173124e+00 1.94 -2.402662200e+00 7.123726466e-01 6.029983987e+00 1.96 -2.704188775e+00 1.528898220e-01 5.053850749e+00 1.98 -2.973370467e+00 -3.607726227e-01 4.150129840e+00 2.00 -3.212587801e+00 -8.315400427e-01 3.314424683e+00 2.02 -3.424066235e+00 -1.262168000e+00 2.542574646e+00 2.04 -3.609885695e+00 -1.655251656e+00 1.830644315e+00 2.06 -3.771989532e+00 -2.013234652e+00 1.174913055e+00 2.08 -3.912192957e+00 -2.338417522e+00 5.718649089e-01 2.10 -4.032190967e+00 -2.632965643e+00 1.817880760e-02 2.12 -4.133565803e+00 -2.898916766e+00 -4.892808773e-01 2.14 -4.217793955e+00 -3.138188129e+00 -9.534734517e-01 2.16 -4.286252760e+00 -3.352583200e+00 -1.377190680e+00 2.18 -4.340226592e+00 -3.543798043e+00 -1.763065228e+00 2.20 -4.380912689e+00 -3.713427344e+00 -2.113578775e+00 2.22 -4.409426624e+00 -3.862970113e+00 -2.431069795e+00 2.24 -4.426807452e+00 -3.993835071e+00 -2.717741006e+00 2.26 -4.434022542e+00 -4.107345749e+00 -2.975666508e+00 2.28 -4.431972119e+00 -4.204745304e+00 -3.206798600e+00 2.30 -4.421493530e+00 -4.287201079e+00 -3.412974291e+00 2.32 -4.403365250e+00 -4.355808909e+00 -3.595921516e+00 2.34 -4.378310651e+00 -4.411597193e+00 -3.757265057e+00 2.36 -4.347001531e+00 -4.455530745e+00 -3.898532186e+00 2.38 -4.310061438e+00 -4.488514431e+00 -4.021158033e+00 2.40 -4.268068783e+00 -4.511396609e+00 -4.126490694e+00 2.42 -4.221559767e+00 -4.524972376e+00 -4.215796081e+00 2.44 -4.171031125e+00 -4.529986643e+00 -4.290262534e+00 2.46 -4.116942707e+00 -4.527137033e+00 -4.351005194e+00 2.48 -4.059719891e+00 -4.517076624e+00 -4.399070154e+00 2.50 -3.999755854e+00 -4.500416537e+00 -4.435438394e+00 2.52 -3.937413702e+00 -4.477728383e+00 -4.461029511e+00 2.54 -3.873028461e+00 -4.449546573e+00 -4.476705248e+00 2.56 -3.806908954e+00 -4.416370500e+00 -4.483272842e+00 2.58 -3.739339555e+00 -4.378666599e+00 -4.481488185e+00 2.60 -3.670581830e+00 -4.336870293e+00 -4.472058823e+00 2.62 -3.600876088e+00 -4.291387828e+00 -4.455646784e+00 2.64 -3.530442816e+00 -4.242598009e+00 -4.432871253e+00 2.66 -3.459484041e+00 -4.190853834e+00 -4.404311106e+00 2.68 -3.388184596e+00 -4.136484041e+00 -4.370507296e+00 2.70 -3.316713309e+00 -4.079794564e+00 -4.331965111e+00 2.72 -3.245224113e+00 -4.021069911e+00 -4.289156302e+00 2.74 -3.173857092e+00 -3.960574482e+00 -4.242521097e+00 2.76 -3.102739454e+00 -3.898553713e+00 -4.192470097e+00 2.78 -3.031986445e+00 -3.835235280e+00 -4.139386064e+00 2.80 -2.961702200e+00 -3.770830271e+00 -4.083625611e+00 2.82 -2.891980546e+00 -3.705534096e+00 -4.025520790e+00 2.84 -2.822905745e+00 -3.639527496e+00 -3.965380595e+00 2.86 -2.754553198e+00 -3.572977456e+00 -3.903492373e+00 2.88 -2.686990091e+00 -3.506038060e+00 -3.840123155e+00 2.90 -2.620276012e+00 -3.438851309e+00 -3.775520909e+00 2.92 -2.554463516e+00 -3.371547876e+00 -3.709915720e+00 2.94 -2.489598660e+00 -3.304247832e+00 -3.643520900e+00 2.96 -2.425721501e+00 -3.237061321e+00 -3.576534033e+00 2.98 -2.362866555e+00 -3.170089196e+00 -3.509137956e+00 3.00 -2.301063240e+00 -3.103423624e+00 -3.441501682e+00 3.02 -2.240336267e+00 -3.037148650e+00 -3.373781268e+00 3.04 -2.180706029e+00 -2.971340726e+00 -3.306120627e+00 3.06 -2.122188944e+00 -2.906069219e+00 -3.238652298e+00 3.08 -2.064797786e+00 -2.841396875e+00 -3.171498155e+00 3.10 -2.008541988e+00 -2.777380267e+00 -3.104770083e+00 3.12 -1.953427927e+00 -2.714070212e+00 -3.038583647e+00 3.14 -1.899459189e+00 -2.651512161e+00 -2.974471126e+00 3.16 -1.846636811e+00 -2.589746568e+00 -2.918888110e+00 3.18 -1.794959514e+00 -2.528809238e+00 -2.870036924e+00 3.20 -1.744423914e+00 -2.468731651e+00 -2.806580741e+00 3.22 -1.695024717e+00 -2.409541268e+00 -2.743753468e+00 3.24 -1.646754904e+00 -2.351261821e+00 -2.681914866e+00 3.26 -1.599605902e+00 -2.293913576e+00 -2.621116198e+00 3.28 -1.553567741e+00 -2.237513594e+00 -2.561403088e+00 3.30 -1.508629198e+00 -2.182075962e+00 -2.502815859e+00 3.32 -1.464777935e+00 -2.127612020e+00 -2.445389834e+00 3.34 -1.422000623e+00 -2.074130566e+00 -2.389155624e+00 3.36 -1.380283058e+00 -2.021638056e+00 -2.334139387e+00 3.38 -1.339610269e+00 -1.970138785e+00 -2.280363072e+00 3.40 -1.299966615e+00 -1.919635058e+00 -2.227844636e+00 3.42 -1.261335877e+00 -1.870127354e+00 -2.176598255e+00 3.44 -1.223701343e+00 -1.821614474e+00 -2.126634507e+00 3.46 -1.187045884e+00 -1.774093681e+00 -2.077960548e+00 3.48 -1.151352027e+00 -1.727560838e+00 -2.030580273e+00 3.50 -1.116602017e+00 -1.682010522e+00 -1.984494467e+00 3.52 -1.082777881e+00 -1.637436146e+00 -1.939700940e+00 3.54 -1.049861480e+00 -1.593830066e+00 -1.896194663e+00 3.56 -1.017834563e+00 -1.551183678e+00 -1.853967889e+00 3.58 -9.866788080e-01 -1.509487514e+00 -1.813010265e+00 3.60 -9.563754105e-01 -1.468731328e+00 -1.773308947e+00 3.62 -9.272134593e-01 -1.428904180e+00 -1.734848698e+00 3.64 -9.316198950e-01 -1.389994509e+00 -1.697611981e+00 3.66 -1.145040988e+00 -1.351990205e+00 -1.661579045e+00 3.68 -1.160351168e+00 -1.314878674e+00 -1.626727996e+00 3.70 -1.136859893e+00 -1.278646897e+00 -1.593034854e+00 3.72 -1.113730432e+00 -1.243281493e+00 -1.560473587e+00 3.74 -1.090968457e+00 -1.208768764e+00 -1.529016135e+00 3.76 -1.068578385e+00 -1.175094747e+00 -1.498632400e+00 3.78 -1.046563292e+00 -1.142245260e+00 -1.469290216e+00 3.80 -1.024924936e+00 -1.110205942e+00 -1.440955298e+00 3.82 -1.003663847e+00 -1.078966454e+00 -1.413591176e+00 3.84 -9.827794653e-01 -1.048891029e+00 -1.387159122e+00 3.86 -9.622703038e-01 -1.021036169e+00 -1.361618088e+00 3.88 -9.421341076e-01 -9.897111553e-01 -1.336924682e+00 3.90 -9.223680075e-01 -9.525482363e-01 -1.313033192e+00 3.92 -9.029686529e-01 -9.264754534e-01 -1.289895705e+00 3.94 -8.839289913e-01 -9.010395954e-01 -1.267462338e+00 3.96 -8.623953553e-01 -8.762284223e-01 -1.245681600e+00 3.98 -8.151047961e-01 -8.520297302e-01 -1.224500910e+00 4.00 -6.766838418e-01 -8.284313675e-01 -1.203867269e+00 4.02 -3.847599976e-01 -8.054212482e-01 -1.183728062e+00 4.04 -3.400667705e-01 -7.829873655e-01 -1.164031976e+00 4.06 -3.318473343e-01 -7.611178026e-01 -1.144729968e+00 4.08 -3.238154332e-01 -7.398007444e-01 -1.125776234e+00 4.10 -3.159674283e-01 -7.190244864e-01 -1.107129105e+00 4.12 -3.082997138e-01 -6.987774437e-01 -1.088751810e+00 4.14 -3.008087189e-01 -6.790481587e-01 -1.070613044e+00 4.16 -2.934909103e-01 -6.598253086e-01 -1.052687300e+00 4.18 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