# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = 2004--Zhou-X-W--Ta-Cu--LAMMPS--ipr2 # composition = Cu # 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 4.215945018e+02 nan 0.80 nan nan nan nan nan nan nan nan 3.801237613e+02 nan 0.82 nan nan nan nan nan nan nan nan 3.430601630e+02 nan 0.84 nan nan nan nan nan nan nan nan 3.098803359e+02 nan 0.86 nan nan nan nan nan 2.428769079e+02 nan nan 2.801400763e+02 nan 0.88 nan nan nan nan nan 2.201800829e+02 nan nan 2.534513231e+02 nan 0.90 nan nan nan nan nan 1.997640989e+02 nan nan 2.294704529e+02 nan 0.92 nan nan nan nan nan 1.813695184e+02 nan nan 2.078929044e+02 nan 0.94 nan nan nan nan nan 1.647747577e+02 nan nan 1.884514910e+02 nan 0.96 nan nan nan 4.164987777e+02 4.165402163e+02 1.497961886e+02 nan nan 1.709139389e+02 2.595696888e+02 0.98 nan nan nan 3.819707890e+02 3.820091432e+02 1.362773133e+02 nan nan 1.550766683e+02 2.367757511e+02 1.00 nan 2.099160893e+02 nan 3.505045128e+02 3.505273356e+02 1.240727606e+02 2.178332041e+02 nan 1.407572755e+02 2.160872788e+02 1.02 nan 1.912282156e+02 nan 3.218038647e+02 3.218056346e+02 1.130375919e+02 1.987299725e+02 nan 1.277919825e+02 1.972851875e+02 1.04 nan 1.742345085e+02 nan 2.955997969e+02 2.955829183e+02 1.030307866e+02 1.813574280e+02 nan 1.160381596e+02 1.801815470e+02 1.06 nan 1.587680349e+02 nan 2.716463689e+02 2.716185962e+02 9.392902755e+01 1.655463487e+02 nan 1.053751956e+02 1.646081723e+02 1.08 nan 1.446829682e+02 nan 2.497226785e+02 2.496944808e+02 8.563410105e+01 1.511469641e+02 nan 9.569907778e+01 1.504110775e+02 1.10 2.296377455e+02 1.318475889e+02 2.012489073e+02 2.296345555e+02 2.296166550e+02 7.806803310e+01 1.380211802e+02 2.096429911e+02 8.691517981e+01 1.374532765e+02 1.12 2.111908842e+02 1.201428566e+02 1.846857669e+02 2.112121351e+02 2.112120756e+02 7.116611175e+01 1.260417033e+02 1.925231759e+02 7.893501526e+01 1.256193153e+02 1.14 1.942638665e+02 1.094612094e+02 1.694989606e+02 1.943038949e+02 1.943232431e+02 6.487314617e+01 1.150964385e+02 1.768283656e+02 7.167703174e+01 1.148133156e+02 1.16 1.787214566e+02 9.970641247e+01 1.555757400e+02 1.787719471e+02 1.788065210e+02 5.914007829e+01 1.050910609e+02 1.624326930e+02 6.506899230e+01 1.049501085e+02 1.18 1.644403553e+02 9.079558409e+01 1.428070200e+02 1.644919748e+02 1.645343603e+02 5.392024101e+01 9.594520388e+01 1.492211974e+02 5.904842998e+01 9.594652582e+01 1.20 1.513123666e+02 8.265717480e+01 1.310885843e+02 1.513549102e+02 1.513969834e+02 4.916701713e+01 8.758567459e+01 1.370903581e+02 5.356073835e+01 8.771848295e+01 1.22 1.392413394e+02 7.522487456e+01 1.203261964e+02 1.392656224e+02 1.393003476e+02 4.483409579e+01 7.994277365e+01 1.259463341e+02 4.855756552e+01 8.018497231e+01 1.24 1.281367282e+02 6.843481687e+01 1.104376722e+02 1.281389278e+02 1.281615812e+02 4.087788661e+01 7.295068320e+01 1.157026953e+02 4.399587930e+01 7.327437312e+01 1.26 1.179124123e+02 6.222781972e+01 1.013509223e+02 1.178964540e+02 1.179051500e+02 3.726030344e+01 6.654864200e+01 1.062802115e+02 3.983656841e+01 6.692716287e+01 1.28 1.084905204e+02 5.655116638e+01 9.299969440e+01 1.084653427e+02 1.084607632e+02 3.394936429e+01 6.068110946e+01 9.760760593e+01 3.604320117e+01 6.109463293e+01 1.30 9.980316011e+01 5.135700940e+01 8.531976612e+01 9.977757545e+01 9.976216894e+01 3.091718319e+01 5.529778175e+01 8.962104964e+01 3.258178407e+01 5.573596735e+01 1.32 9.179033246e+01 4.660025207e+01 7.824925632e+01 9.176980167e+01 9.174692209e+01 2.813798989e+01 5.035439719e+01 8.226270979e+01 2.942117260e+01 5.081517382e+01 1.34 8.439742966e+01 4.223880524e+01 7.173247496e+01 8.438394218e+01 8.435736417e+01 2.558801041e+01 4.581344591e+01 7.547995440e+01 2.653362122e+01 4.629879578e+01 1.36 7.757408705e+01 3.823573276e+01 6.572234149e+01 7.756770726e+01 7.754157338e+01 2.324646614e+01 4.164316471e+01 6.922538463e+01 2.389482640e+01 4.215488876e+01 1.38 7.127409468e+01 3.456072970e+01 6.017917264e+01 7.127423266e+01 7.125293897e+01 2.109542527e+01 3.781516255e+01 6.345658062e+01 2.148300204e+01 3.835308091e+01 1.40 6.545541760e+01 3.118924362e+01 5.506824777e+01 6.546111820e+01 6.544867882e+01 1.911948696e+01 3.430253614e+01 5.813505327e+01 1.927817199e+01 3.486484966e+01 1.42 6.007984841e+01 2.809990752e+01 5.035811059e+01 6.008966435e+01 6.008865682e+01 1.730543511e+01 3.107939677e+01 5.322520201e+01 1.726223725e+01 3.166358823e+01 1.44 5.511266468e+01 2.527211955e+01 4.601934446e+01 5.512469206e+01 5.513537542e+01 1.564154855e+01 2.812128964e+01 4.869403865e+01 1.541912942e+01 2.872483872e+01 1.46 5.052224626e+01 2.268504637e+01 4.202341316e+01 5.053454243e+01 5.055480180e+01 1.411664319e+01 2.540572486e+01 4.451132072e+01 1.373475958e+01 2.602648391e+01 1.48 4.627932639e+01 2.031815776e+01 3.834201414e+01 4.629070221e+01 4.631694353e+01 1.271940705e+01 2.291244694e+01 4.064950730e+01 1.219647720e+01 2.354834188e+01 1.50 4.235645782e+01 1.815238079e+01 3.494753571e+01 4.236711295e+01 4.239550757e+01 1.143843494e+01 2.062330485e+01 3.708365302e+01 1.079247547e+01 2.127159674e+01 1.52 3.872837852e+01 1.617067495e+01 3.181435978e+01 3.873964017e+01 3.876698441e+01 1.026276645e+01 1.852169472e+01 3.379147793e+01 9.511528437e+00 1.917869853e+01 1.54 3.537268942e+01 1.435813190e+01 2.891985795e+01 3.538589342e+01 3.540986717e+01 9.182282270e+00 1.659222101e+01 3.075330924e+01 8.343081839e+00 1.725393856e+01 1.56 3.226987349e+01 1.270115582e+01 2.624429334e+01 3.228526080e+01 3.230433695e+01 8.187603227e+00 1.482069741e+01 2.795153204e+01 7.277469633e+00 1.548334319e+01 1.58 2.940263481e+01 1.118674837e+01 2.377016626e+01 2.941901451e+01 2.943229699e+01 7.269899480e+00 1.319414751e+01 2.536970508e+01 6.306032952e+00 1.385421494e+01 1.60 2.675515526e+01 9.802235937e+00 2.148195439e+01 2.677030234e+01 2.677738254e+01 6.421154622e+00 1.170096931e+01 2.299175823e+01 5.421011927e+00 1.235496828e+01 1.62 2.431249477e+01 8.535345708e+00 1.936633982e+01 2.432380576e+01 2.432464344e+01 5.634764361e+00 1.033087812e+01 2.080154324e+01 4.615229556e+00 1.097527046e+01 1.64 2.205998661e+01 7.374458893e+00 1.741224184e+01 2.206509191e+01 2.205995809e+01 4.905865140e+00 9.074627722e+00 1.878283685e+01 3.881750855e+00 9.706147363e+00 1.66 1.998263879e+01 6.308985597e+00 1.561021717e+01 1.997998082e+01 1.996950019e+01 4.231081327e+00 7.923711371e+00 1.691971692e+01 3.213748667e+00 8.539819086e+00 1.68 1.806493708e+01 5.329817688e+00 1.395174562e+01 1.805430902e+01 1.803955096e+01 3.607924448e+00 6.870174725e+00 1.519736471e+01 2.604675666e+00 7.469358998e+00 1.70 1.629134635e+01 4.429633811e+00 1.242815847e+01 1.627415363e+01 1.625664292e+01 3.034199591e+00 5.906500198e+00 1.360292870e+01 2.048619686e+00 6.488372028e+00 1.72 1.464773810e+01 3.602828609e+00 1.103002865e+01 1.462672196e+01 1.460828183e+01 2.507574394e+00 5.025499389e+00 1.212574616e+01 1.540585925e+00 5.590779849e+00 1.74 1.312236222e+01 2.845086627e+00 9.747107413e+00 1.310085795e+01 1.308335458e+01 2.025318796e+00 4.220247348e+00 1.075716339e+01 1.076536320e+00 4.770682683e+00 1.76 1.170597500e+01 2.152840353e+00 8.568772442e+00 1.168708105e+01 1.167219937e+01 1.584222015e+00 3.484136246e+00 9.489995319e+00 6.532016888e-01 4.022242599e+00 1.78 1.039126208e+01 1.522826969e+00 7.484762716e+00 1.037729480e+01 1.036642817e+01 1.180717935e+00 2.811049041e+00 8.317969298e+00 2.677819907e-01 3.339572435e+00 1.80 9.172053003e+00 9.518151972e-01 6.485873863e+00 9.164393857e+00 9.158609201e+00 8.111870965e-01 2.195553623e+00 7.235392143e+00 -8.235404145e-02 2.716703013e+00 1.82 8.042790137e+00 4.364640510e-01 5.564346273e+00 8.041988951e+00 8.041982017e+00 4.722869851e-01 1.632989834e+00 6.237039549e+00 -3.998802418e-01 2.147735111e+00 1.84 6.998348754e+00 -2.674146332e-02 4.713852033e+00 7.004283059e+00 7.010283979e+00 1.611449083e-01 1.119400493e+00 5.318104988e+00 -6.875753891e-01 1.627197344e+00 1.86 6.034063413e+00 -4.415200627e-01 3.929177430e+00 6.046032841e+00 6.057692981e+00 -1.246447966e-01 6.513550733e-01 4.474085581e+00 -9.482426284e-01 1.150458877e+00 1.88 5.145740245e+00 -8.118030978e-01 3.205810339e+00 5.162509466e+00 5.178844172e+00 -3.871469531e-01 2.257524503e-01 3.700606921e+00 -1.184558427e+00 7.139415813e-01 1.90 4.329526137e+00 -1.141709554e+00 2.539615147e+00 4.349400589e+00 4.368854244e+00 -6.282232973e-01 -1.603354320e-01 2.993266320e+00 -1.398941824e+00 3.149872131e-01 1.92 3.581637480e+00 -1.435465159e+00 1.926673222e+00 3.602636099e+00 3.623284961e+00 -8.496040172e-01 -5.097552160e-01 2.347552449e+00 -1.593489853e+00 -4.854716045e-02 1.94 2.898051826e+00 -1.697255055e+00 1.363271015e+00 2.918164518e+00 2.938009619e+00 -1.052877397e+00 -8.252951665e-01 1.758836483e+00 -1.769979259e+00 -3.787607320e-01 1.96 2.274290586e+00 -1.931030735e+00 8.459736046e-01 2.291755794e+00 2.309026114e+00 -1.239425662e+00 -1.109660170e+00 1.222409861e+00 -1.929913428e+00 -6.780580057e-01 1.98 1.705400388e+00 -2.140318873e+00 3.717003405e-01 1.718928358e+00 1.732318658e+00 -1.410366840e+00 -1.365440301e+00 7.335746283e-01 -2.074594982e+00 -9.492622700e-01 2.00 1.186167761e+00 -2.328085809e+00 -6.225678437e-02 1.195056782e+00 1.203850301e+00 -1.566832951e+00 -1.595112281e+00 2.878025083e-01 -2.205198402e+00 -1.195475215e+00 2.02 7.115015091e-01 -2.496692829e+00 -4.582877819e-01 7.156266247e-01 7.196862654e-01 -1.710291396e+00 -1.801075364e+00 -1.190631719e-01 -2.322813559e+00 -1.419758017e+00 2.04 2.768229883e-01 -2.647943238e+00 -8.185624937e-01 2.765173916e-01 2.761672298e-01 -1.840186045e+00 -1.985682374e+00 -4.906419561e-01 -2.428450100e+00 -1.624791904e+00 2.06 -1.216980113e-01 -2.783193489e+00 -1.145129371e+00 -1.258176312e-01 -1.299675330e-01 -1.956049595e+00 -2.151228870e+00 -8.299655317e-01 -2.523904866e+00 -1.812674979e+00 2.08 -4.871244915e-01 -2.903489244e+00 -1.439984603e+00 -4.943292859e-01 -5.015546463e-01 -2.057757036e+00 -2.299901091e+00 -1.139553896e+00 -2.609754051e+00 -1.984915314e+00 2.10 -8.219005630e-01 -3.009692623e+00 -1.705102815e+00 -8.314741309e-01 -8.410616805e-01 -2.145480133e+00 -2.433712018e+00 -1.421569870e+00 -2.685391580e+00 -2.142571724e+00 2.12 -1.128062124e+00 -3.102579197e+00 -1.942438110e+00 -1.139365202e+00 -1.150677805e+00 -2.219619462e+00 -2.554446237e+00 -1.677978662e+00 -2.750479260e+00 -2.286441320e+00 2.14 -1.407429724e+00 -3.182903286e+00 -2.153912275e+00 -1.419911403e+00 -1.432399529e+00 -2.280728891e+00 -2.663615197e+00 -1.910661137e+00 -2.804886280e+00 -2.417218632e+00 2.16 -1.661749576e+00 -3.251435453e+00 -2.341406767e+00 -1.674920941e+00 -1.688096724e+00 -2.329520455e+00 -2.762420308e+00 -2.121459348e+00 -2.848641580e+00 -2.535598059e+00 2.18 -1.892774531e+00 -3.308979830e+00 -2.506763662e+00 -1.906163962e+00 -1.919556430e+00 -2.366814466e+00 -2.851738490e+00 -2.312159435e+00 -2.881898321e+00 -2.642319589e+00 2.20 -2.102291732e+00 -3.356374360e+00 -2.651797643e+00 -2.115398927e+00 -2.128508218e+00 -2.393402301e+00 -2.932150793e+00 -2.484439777e+00 -2.904946441e+00 -2.738173202e+00 2.22 -2.292095989e+00 -3.394474835e+00 -2.778308776e+00 -2.304363077e+00 -2.316631680e+00 -2.410043411e+00 -3.004018869e+00 -2.639814420e+00 -2.918289373e+00 -2.823969781e+00 2.24 -2.463918980e+00 -3.425004376e+00 -2.888091446e+00 -2.474733993e+00 -2.485550061e+00 -2.417494373e+00 -3.067751708e+00 -2.779596225e+00 -2.922516284e+00 -2.900569169e+00 2.26 -2.619337489e+00 -3.448534673e+00 -2.982938786e+00 -2.628076514e+00 -2.636816276e+00 -2.416553441e+00 -3.124487429e+00 -2.904887888e+00 -2.918277389e+00 -2.969602797e+00 2.28 -2.759695864e+00 -3.464518260e+00 -3.064643317e+00 -2.765798484e+00 -2.771901619e+00 -2.408105999e+00 -3.173634970e+00 -3.016597569e+00 -2.906287519e+00 -3.030967769e+00 2.30 -2.886072881e+00 -3.472621071e+00 -3.134987411e+00 -2.889130744e+00 -2.892188970e+00 -2.393150901e+00 -3.214612227e+00 -3.115471965e+00 -2.887315127e+00 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