# 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 # implementation = 2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr1 # composition = Ag # 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 9.206006752e+02 nan 0.82 nan nan nan nan nan nan nan nan 8.346745592e+02 nan 0.84 nan nan nan nan nan nan nan nan 7.576480611e+02 nan 0.86 nan nan nan nan nan 5.957223556e+02 nan nan 6.884759954e+02 nan 0.88 nan nan nan nan nan 5.425878304e+02 nan nan 6.262496615e+02 nan 0.90 nan nan nan nan nan 4.947131717e+02 nan nan 5.701772289e+02 nan 0.92 nan nan nan nan nan 4.515139241e+02 nan nan 5.195691136e+02 nan 0.94 nan nan nan nan nan 4.124761970e+02 nan nan 4.738265855e+02 nan 0.96 nan nan nan nan nan 3.771460954e+02 nan nan 4.324280840e+02 nan 0.98 nan nan nan 9.297435599e+02 9.297536525e+02 3.451230102e+02 nan nan 3.949162696e+02 5.890852073e+02 1.00 nan 5.283763597e+02 nan 8.568307727e+02 8.568386691e+02 3.160556933e+02 5.457206408e+02 nan 3.608878466e+02 5.405750445e+02 1.02 nan 4.843719071e+02 nan 7.901781337e+02 7.901882528e+02 2.896359169e+02 5.008677527e+02 nan 3.299851270e+02 4.963654580e+02 1.04 nan 4.442578117e+02 nan 7.291774032e+02 7.291929421e+02 2.655936533e+02 4.599575358e+02 nan 3.018908735e+02 4.560342227e+02 1.06 nan 4.076542318e+02 nan 6.732850633e+02 6.733067819e+02 2.436914417e+02 4.226003781e+02 nan 2.763238505e+02 4.192091095e+02 1.08 nan 3.742248461e+02 nan 6.220181618e+02 6.220443086e+02 2.237206231e+02 3.884552491e+02 nan 2.530346747e+02 3.855568188e+02 1.10 nan 3.436684896e+02 5.081234904e+02 5.749475004e+02 5.749745592e+02 2.054956706e+02 3.572210369e+02 5.279906933e+02 2.318015034e+02 3.547752928e+02 1.12 5.316656017e+02 3.157147869e+02 4.691689254e+02 5.316914039e+02 5.317156034e+02 1.888501956e+02 3.286285519e+02 4.877653492e+02 2.124263193e+02 3.265918375e+02 1.14 4.918957944e+02 2.901207261e+02 4.333882189e+02 4.919075053e+02 4.919262441e+02 1.736330171e+02 3.024341158e+02 4.507960268e+02 1.947314895e+02 3.007628419e+02 1.16 4.552873036e+02 2.666691780e+02 4.004945928e+02 4.552874717e+02 4.552998777e+02 1.597065244e+02 2.784173346e+02 4.167883907e+02 1.785580219e+02 2.770718849e+02 1.18 4.215585509e+02 2.451656626e+02 3.702271003e+02 4.215527037e+02 4.215592902e+02 1.469466036e+02 2.563801335e+02 3.854781650e+02 1.637643318e+02 2.553257858e+02 1.20 3.904570462e+02 2.254354732e+02 3.423508412e+02 3.904509907e+02 3.904532484e+02 1.352429121e+02 2.361447802e+02 3.566285623e+02 1.502242008e+02 2.353502937e+02 1.22 3.617570713e+02 2.073208268e+02 3.166552215e+02 3.617551548e+02 3.617553448e+02 1.244980785e+02 2.175515968e+02 3.300272374e+02 1.378243377e+02 2.169880407e+02 1.24 3.352557085e+02 1.906795971e+02 2.929516578e+02 3.352604347e+02 3.352613009e+02 1.146256614e+02 2.004559650e+02 3.054840990e+02 1.264620313e+02 2.000973934e+02 1.26 3.107700910e+02 1.753836229e+02 2.710722476e+02 3.107821509e+02 3.107862127e+02 1.055487299e+02 1.847273470e+02 2.828267953e+02 1.160436964e+02 1.845517846e+02 1.28 2.881351242e+02 1.613170798e+02 2.508671969e+02 2.881534662e+02 2.881621838e+02 9.719878866e+01 1.702480393e+02 2.618997303e+02 1.064846354e+02 1.702382896e+02 1.30 2.671997126e+02 1.483749147e+02 2.322009275e+02 2.672220248e+02 2.672354885e+02 8.951425912e+01 1.569124225e+02 2.425605731e+02 9.770823506e+01 1.570545495e+02 1.32 2.478259433e+02 1.364619841e+02 2.149491639e+02 2.478493929e+02 2.478665673e+02 8.243930197e+01 1.446257205e+02 2.246793400e+02 8.964579356e+01 1.449067033e+02 1.34 2.298880369e+02 1.254922926e+02 1.989973743e+02 2.299098271e+02 2.299290725e+02 7.592280413e+01 1.333018239e+02 2.081373794e+02 8.223547113e+01 1.337076102e+02 1.36 2.132715914e+02 1.153879242e+02 1.842407557e+02 2.132893656e+02 2.133088919e+02 6.991772083e+01 1.228618213e+02 1.928265717e+02 7.542131015e+01 1.233766491e+02 1.38 1.978716910e+02 1.060776811e+02 1.705836416e+02 1.978841119e+02 1.979023418e+02 6.438066768e+01 1.132327750e+02 1.786486910e+02 6.915259867e+01 1.138399358e+02 1.40 1.835920869e+02 9.749643216e+01 1.579389111e+02 1.835993289e+02 1.836151066e+02 5.927186703e+01 1.043476515e+02 1.655142500e+02 6.338342589e+01 1.050307542e+02 1.42 1.703449491e+02 8.958493486e+01 1.462271206e+02 1.703485936e+02 1.703612529e+02 5.455519378e+01 9.614498320e+01 1.533420410e+02 5.807219037e+01 9.688924469e+01 1.44 1.580508567e+02 8.228923609e+01 1.353753431e+02 1.580530339e+02 1.580623290e+02 5.019792202e+01 8.856860508e+01 1.420579768e+02 5.318104040e+01 8.936160917e+01 1.46 1.466375297e+02 7.555975437e+01 1.253160237e+02 1.466399008e+02 1.466458947e+02 4.617016581e+01 8.156717266e+01 1.315942125e+02 4.867523221e+01 8.239895822e+01 1.48 1.360397221e+02 6.935059722e+01 1.159875193e+02 1.360429712e+02 1.360459396e+02 4.244488216e+01 7.509434815e+01 1.218883571e+02 4.452310367e+01 7.595722420e+01 1.50 1.261967847e+02 6.361911251e+01 1.073335944e+02 1.262007562e+02 1.262011598e+02 3.899926222e+01 6.910821769e+01 1.128825584e+02 4.069553001e+01 6.999584894e+01 1.52 1.170522946e+02 5.832618078e+01 9.930327302e+01 1.170564800e+02 1.170549767e+02 3.581586838e+01 6.357096358e+01 1.045235063e+02 3.716591427e+01 6.447764827e+01 1.54 1.085542202e+02 5.343641069e+01 9.185061655e+01 1.085581707e+02 1.085556102e+02 3.287435636e+01 5.844826927e+01 9.676243851e+01 3.391005071e+01 5.936868944e+01 1.56 1.006541592e+02 4.891800495e+01 8.493326328e+01 1.006576456e+02 1.006549975e+02 3.015588518e+01 5.370843615e+01 8.955432864e+01 3.090834372e+01 5.463769334e+01 1.58 9.330769546e+01 4.474229256e+01 7.851205274e+01 9.331065993e+01 9.330886273e+01 2.764331006e+01 4.932203550e+01 8.285807682e+01 2.814467624e+01 5.025600060e+01 1.60 8.647403901e+01 4.088322945e+01 7.255066821e+01 8.647651410e+01 8.647630571e+01 2.532101692e+01 4.526176409e+01 7.663568661e+01 2.560010652e+01 4.619713137e+01 1.62 8.011558453e+01 3.731676973e+01 6.701526758e+01 8.011764353e+01 8.011942798e+01 2.317465698e+01 4.150232214e+01 7.085217520e+01 2.325728876e+01 4.243649173e+01 1.64 7.419791225e+01 3.402065998e+01 6.187446629e+01 7.419969627e+01 7.420351644e+01 2.119103400e+01 3.802052000e+01 6.547546289e+01 2.110046013e+01 3.895140940e+01 1.66 6.868920081e+01 3.097429032e+01 5.709896230e+01 6.869097206e+01 6.869658734e+01 1.935782807e+01 3.479510133e+01 6.047599081e+01 1.911515016e+01 3.572087101e+01 1.68 6.356010694e+01 2.815868375e+01 5.266145070e+01 6.356229230e+01 6.356931277e+01 1.766351489e+01 3.180662539e+01 5.582663927e+01 1.728802141e+01 3.272552618e+01 1.70 5.878376859e+01 2.555733986e+01 4.853676744e+01 5.878691441e+01 5.879490457e+01 1.609739532e+01 2.903733793e+01 5.150249046e+01 1.560675203e+01 2.994792331e+01 1.72 5.433547699e+01 2.315877483e+01 4.470173550e+01 5.434005422e+01 5.434857088e+01 1.464952507e+01 2.647400068e+01 4.748064626e+01 1.405993782e+01 2.737599831e+01 1.74 5.019257439e+01 2.094844330e+01 4.113510985e+01 5.019878209e+01 5.020738786e+01 1.331070274e+01 2.410427104e+01 4.374000561e+01 1.263706336e+01 2.499613777e+01 1.76 4.633412705e+01 1.891207654e+01 3.781738871e+01 4.634178473e+01 4.635006068e+01 1.207235491e+01 2.191377132e+01 4.026101475e+01 1.132847240e+01 2.279416691e+01 1.78 4.274076064e+01 1.703634030e+01 3.473065775e+01 4.274934782e+01 4.275692335e+01 1.092653267e+01 1.988931176e+01 3.702542216e+01 1.012533210e+01 2.075694311e+01 1.80 3.939428485e+01 1.530870697e+01 3.185836483e+01 3.940307887e+01 3.940965908e+01 9.865857456e+00 1.801875160e+01 3.401604649e+01 9.019507882e+00 1.887218655e+01 1.82 3.627770427e+01 1.371748710e+01 2.918539310e+01 3.628594198e+01 3.629132317e+01 8.883692185e+00 1.629093798e+01 3.121676473e+01 8.003487258e+00 1.712853190e+01 1.84 3.337501746e+01 1.225178334e+01 2.669789398e+01 3.338199898e+01 3.338606499e+01 7.974120651e+00 1.469553559e+01 2.861237880e+01 7.070244561e+00 1.551551052e+01 1.86 3.067128143e+01 1.090155288e+01 2.438535964e+01 3.067646483e+01 3.067918350e+01 7.131970996e+00 1.322299187e+01 2.618877504e+01 6.213226786e+00 1.402361728e+01 1.88 2.815231229e+01 9.657608768e+00 2.223910615e+01 2.815538563e+01 2.815680538e+01 6.352613722e+00 1.186433822e+01 2.393583347e+01 5.426275262e+00 1.264412692e+01 1.90 2.580497910e+01 8.511668827e+00 2.024802945e+01 2.580590527e+01 2.580613515e+01 5.631871149e+00 1.061120935e+01 2.184322412e+01 4.703699779e+00 1.136906360e+01 1.92 2.362035095e+01 7.456307308e+00 1.840164278e+01 2.361934021e+01 2.361852648e+01 4.965875231e+00 9.455786864e+00 1.989942997e+01 4.040302367e+00 1.019108573e+01 1.94 2.158809936e+01 6.484902418e+00 1.669003013e+01 2.158563070e+01 2.158401869e+01 4.351006674e+00 8.390767401e+00 1.809396504e+01 3.431417276e+00 9.103405196e+00 1.96 1.969746539e+01 5.591494377e+00 1.510374500e+01 1.969413651e+01 1.969199782e+01 3.783805938e+00 7.409331725e+00 1.641720949e+01 2.872869332e+00 8.099663409e+00 1.98 1.793872495e+01 4.770661888e+00 1.363388459e+01 1.793513989e+01 1.793276008e+01 3.260969186e+00 6.505157248e+00 1.486036411e+01 2.360926945e+00 7.173903099e+00 2.00 1.630296531e+01 4.017417574e+00 1.227207116e+01 1.629965183e+01 1.629733230e+01 2.779311573e+00 5.672394585e+00 1.341529007e+01 1.892199330e+00 6.320464236e+00 2.02 1.478196737e+01 3.327141031e+00 1.101053147e+01 1.477935053e+01 1.477740969e+01 2.335810022e+00 4.905674315e+00 1.207439299e+01 1.463556121e+00 5.533960770e+00 2.04 1.336812485e+01 2.695542403e+00 9.842132031e+00 1.336652330e+01 1.336528299e+01 1.927644811e+00 4.200114344e+00 1.083065499e+01 1.072059094e+00 4.809289519e+00 2.06 1.205434101e+01 2.118585044e+00 8.760321721e+00 1.205397938e+01 1.205373242e+01 1.552206096e+00 3.551264476e+00 9.677595582e+00 7.149137023e-01 4.141652719e+00 2.08 1.083396560e+01 1.592459592e+00 7.759036602e+00 1.083497115e+01 1.083593187e+01 1.207082339e+00 2.955052999e+00 8.609167882e+00 3.894411540e-01 3.526596935e+00 2.10 9.700907357e+00 1.113541840e+00 6.832696268e+00 9.703290460e+00 9.705547839e+00 8.900672924e-01 2.407758594e+00 7.619841311e+00 9.312525932e-02 2.960143780e+00 2.12 8.649517806e+00 6.783469604e-01 5.976080820e+00 8.653158773e+00 8.656648454e+00 5.990945273e-01 1.905919975e+00 6.704432839e+00 -1.763892796e-01 2.438745922e+00 2.14 7.674607094e+00 2.835188499e-01 5.184312742e+00 7.679253847e+00 7.683755828e+00 3.322266104e-01 1.446317544e+00 5.858127441e+00 -4.212694628e-01 1.959271014e+00 2.16 6.771361067e+00 -7.418312034e-02 4.452822621e+00 6.776650823e+00 6.781818062e+00 8.763696623e-02 1.025933429e+00 5.076393969e+00 -6.434919412e-01 1.518905450e+00 2.18 5.935239718e+00 -3.978607911e-01 3.777322430e+00 5.940747950e+00 5.946158061e+00 -1.363982528e-01 6.419249675e-01 4.354939790e+00 -8.448598431e-01 1.115022187e+00 2.20 5.161977661e+00 -6.904486056e-01 3.153870097e+00 5.167265472e+00 5.172478009e+00 -3.414537884e-01 2.916313429e-01 3.689700664e+00 -1.027008987e+00 7.451387832e-01 2.22 4.447407733e+00 -9.546825033e-01 2.578785884e+00 4.452078595e+00 4.456693301e+00 -5.289766614e-01 -2.745554591e-02 3.076777621e+00 -1.191446937e+00 4.067902950e-01 2.24 3.787561153e+00 -1.193056177e+00 2.048738021e+00 3.791304977e+00 3.795006260e+00 -7.002361591e-01 -3.176655211e-01 2.512453292e+00 -1.339551195e+00 9.757988540e-02 2.26 3.178557096e+00 -1.407815177e+00 1.560650371e+00 3.181169943e+00 3.183752026e+00 -8.563630567e-01 -5.811962782e-01 1.993184291e+00 -1.472611513e+00 -1.848479583e-01 2.28 2.616745142e+00 -1.600944230e+00 1.111742518e+00 2.618137920e+00 2.619508609e+00 -9.983365240e-01 -8.201080741e-01 1.515668471e+00 -1.591809746e+00 -4.426965782e-01 2.30 2.098672260e+00 -1.774197950e+00 6.994458161e-01 2.098853304e+00 2.099018550e+00 -1.127374888e+00 -1.036356747e+00 1.076825564e+00 -1.698240341e+00 -6.780002677e-01 2.32 1.621190415e+00 -1.929119668e+00 3.214106272e-01 1.620240929e+00 1.619280167e+00 -1.244244372e+00 -1.231776724e+00 6.738419436e-01 -1.792887339e+00 -8.925533711e-01 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