# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2015--Borovikov-V-Mendelev-M-I-King-A-H-LeSar-R--fictional-Cu-7 # implementation = 2015--Borovikov-V--fictional-Cu-7--LAMMPS--ipr1 # 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 -4.806417408e+04 nan 0.78 nan nan nan nan nan nan nan nan -4.131456499e+04 nan 0.80 nan nan nan nan nan nan nan nan -3.522087169e+04 nan 0.82 nan nan nan nan nan -2.022307887e+04 nan nan -2.970560746e+04 nan 0.84 nan nan nan nan nan -1.588319062e+04 nan nan -2.470202920e+04 nan 0.86 nan nan nan nan nan -1.193655903e+04 nan nan -2.015206629e+04 nan 0.88 nan nan nan nan nan -8.521935924e+03 nan nan -1.600538014e+04 nan 0.90 nan nan nan nan nan -6.052092946e+03 nan nan -1.221832256e+04 nan 0.92 nan nan nan -5.404677082e+04 -5.404671395e+04 -4.288263381e+03 nan nan -8.885163673e+03 -2.587930723e+04 0.94 nan -2.163358189e+04 nan -4.804319980e+04 -4.804320604e+04 -3.025605888e+03 -2.253557439e+04 nan -6.421509449e+03 -2.163288533e+04 0.96 nan -1.773115549e+04 nan -4.252733326e+04 -4.252734853e+04 -2.120156743e+03 -1.857855949e+04 nan -4.635551382e+03 -1.773194790e+04 0.98 nan -1.414075873e+04 nan -3.745077091e+04 -3.745077340e+04 -1.470261557e+03 -1.493739206e+04 nan -3.337875995e+03 -1.414202035e+04 1.00 nan -1.083174639e+04 nan -3.277074688e+04 -3.277075891e+04 -1.003819916e+03 -1.158123867e+04 nan -2.393397561e+03 -1.083270183e+04 1.02 nan -8.073525116e+03 nan -2.845004673e+04 -2.845012331e+04 -6.697261958e+02 -8.657068688e+03 nan -1.705504765e+03 -8.069727282e+03 1.04 nan -6.018121798e+03 -1.903284634e+04 -2.445548329e+04 -2.445564534e+04 -4.314148869e+02 -6.459649896e+03 -2.064671651e+04 -1.204634945e+03 -6.010390769e+03 1.06 -2.075637018e+04 -4.483125671e+03 -1.563528041e+04 -2.075681441e+04 -2.075699970e+04 -2.623196151e+02 -4.816959380e+03 -1.715972787e+04 -8.402833331e+02 -4.472240185e+03 1.08 -1.732676722e+04 -3.334728417e+03 -1.248477260e+04 -1.732712838e+04 -1.732723733e+04 -1.432542988e+02 -3.586693090e+03 -1.392653419e+04 -5.757851149e+02 -3.321381112e+03 1.10 -1.414237713e+04 -2.474371659e+03 -9.610562140e+03 -1.414248930e+04 -1.414248961e+04 -6.044078653e+01 -2.664067478e+03 -1.092440574e+04 -3.844233767e+02 -2.459220840e+03 1.12 -1.118159949e+04 -1.829324313e+03 -7.342486436e+03 -1.118143728e+04 -1.118134206e+04 -3.853779903e+00 -1.971568777e+03 -8.365254858e+03 -2.466667526e+02 -1.812894682e+03 1.14 -8.609945640e+03 -1.345585787e+03 -5.609204565e+03 -8.609636828e+03 -8.609476645e+03 3.381996693e+01 -1.451644693e+03 -6.406237192e+03 -1.481880522e+02 -1.328334939e+03 1.16 -6.628037538e+03 -9.829982048e+02 -4.282289379e+03 -6.627733245e+03 -6.627551219e+03 5.791468219e+01 -1.061412672e+03 -4.904057577e+03 -7.850020446e+01 -9.652528160e+02 1.18 -5.100696765e+03 -7.115400548e+02 -3.265030991e+03 -5.100489413e+03 -5.100343758e+03 7.232152062e+01 -7.688155309e+02 -3.750361086e+03 -2.988519066e+01 -6.934839343e+02 1.20 -3.921882134e+03 -5.087244235e+02 -2.484344602e+03 -3.921795910e+03 -3.921716585e+03 7.987873293e+01 -5.498228075e+02 -2.863316784e+03 3.350314828e+00 -4.905068079e+02 1.22 -3.011035944e+03 -3.576600599e+02 -1.884831100e+03 -3.011045966e+03 -3.011032602e+03 8.265523937e+01 -3.863778326e+02 -2.180781886e+03 2.540895949e+01 -3.394257282e+02 1.24 -2.306691268e+03 -2.456202116e+02 -1.424310818e+03 -2.306752702e+03 -2.306785295e+03 8.219847656e+01 -2.648589582e+02 -1.655414044e+03 3.940548223e+01 -2.275092118e+02 1.26 -1.761801204e+03 -1.629977360e+02 -1.070591297e+03 -1.761875648e+03 -1.761927544e+03 7.964314248e+01 -1.749963173e+02 -1.251043375e+03 4.764868264e+01 -1.451393571e+02 1.28 -1.340255121e+03 -1.025310654e+02 -7.991391657e+02 -1.340320622e+03 -1.340374372e+03 7.571462643e+01 -1.090414803e+02 -9.399630941e+02 5.178626305e+01 -8.502969615e+01 1.30 -1.014256101e+03 -5.872521963e+01 -5.911297257e+02 -1.014305766e+03 -1.014353825e+03 7.094170764e+01 -6.111493973e+01 -7.008990944e+02 5.303438284e+01 -4.165559829e+01 1.32 -7.623632147e+02 -2.741817895e+01 -4.320857388e+02 -7.623989166e+02 -7.624406109e+02 6.570845660e+01 -2.675037096e+01 -5.174831712e+02 5.229082291e+01 -1.083261431e+01 1.34 -5.680041933e+02 -5.455565588e+00 -3.108518210e+02 -5.680320858e+02 -5.680692494e+02 6.029092625e+01 -2.555312601e+00 -3.770985798e+02 5.021594305e+01 1.060569386e+01 1.36 -4.183457746e+02 9.550921281e+00 -2.188154325e+02 -4.183731000e+02 -4.184066815e+02 5.488371238e+01 1.405059999e+01 -2.699948804e+02 4.732281923e+01 2.505465372e+01 1.38 -3.034404130e+02 1.940863614e+01 -1.493160016e+02 -3.034690665e+02 -3.034970867e+02 4.962160640e+01 2.504345244e+01 -1.886443727e+02 4.396088198e+01 3.432359462e+01 1.40 -2.155626011e+02 2.548545366e+01 -9.719420083e+01 -2.155878531e+02 -2.156058527e+02 4.459548691e+01 3.193806836e+01 -1.272146960e+02 4.035868433e+01 3.977958761e+01 1.42 -1.486942490e+02 2.881641256e+01 -5.844956839e+01 -1.487087904e+02 -1.487122141e+02 3.986316298e+01 3.582143397e+01 -8.117439646e+01 3.668097444e+01 4.246248114e+01 1.44 -9.811342463e+01 3.018293232e+01 -2.998262228e+01 -9.811099273e+01 -9.809764481e+01 3.545575274e+01 3.751218796e+01 -4.698049024e+01 3.304397603e+01 4.321612562e+01 1.46 -6.016946934e+01 3.017083447e+01 -9.394478700e+00 -6.014784101e+01 -6.011936387e+01 3.138440714e+01 3.762992115e+01 -2.190038156e+01 2.952732998e+01 4.260757571e+01 1.48 -3.201749475e+01 2.921496151e+01 5.177694614e+00 -3.197906452e+01 -3.194024691e+01 2.764967594e+01 3.664482955e+01 -3.813943241e+00 2.618437707e+01 4.104594405e+01 1.50 -1.142941891e+01 2.763592912e+01 1.518341856e+01 -1.137930443e+01 -1.133604965e+01 2.424599788e+01 3.491353316e+01 8.929741554e+00 2.304913703e+01 3.884370119e+01 1.52 3.339493122e+00 2.567125155e+01 2.174571977e+01 3.394444429e+00 3.436067625e+00 2.116102813e+01 3.270512326e+01 1.761432338e+01 2.014117910e+01 3.623762303e+01 1.54 1.365448417e+01 2.349599874e+01 2.573345522e+01 1.370617483e+01 1.374084124e+01 1.837787014e+01 3.022027879e+01 2.323545480e+01 1.746864563e+01 3.340540335e+01 1.56 2.058067485e+01 2.123688644e+01 2.781840309e+01 2.062115495e+01 2.064513936e+01 1.587730677e+01 2.760616950e+01 2.656295247e+01 1.503116919e+01 3.047747224e+01 1.58 2.494551424e+01 1.898439527e+01 2.851927201e+01 2.496861128e+01 2.498009851e+01 1.363942049e+01 2.496855421e+01 2.819102606e+01 1.282298981e+01 2.754745880e+01 1.60 2.738947755e+01 1.680023301e+01 2.823532227e+01 2.739183396e+01 2.739063762e+01 1.164457332e+01 2.238083499e+01 2.857698477e+01 1.083495684e+01 2.468200472e+01 1.62 2.840835470e+01 1.472387789e+01 2.727156891e+01 2.838974353e+01 2.837688056e+01 9.873646208e+00 1.990481168e+01 2.807361332e+01 9.055495333e+00 2.192870997e+01 1.64 2.838780288e+01 1.278168109e+01 2.585725320e+01 2.835093900e+01 2.832804833e+01 8.307325843e+00 1.757431999e+01 2.695214699e+01 7.476192634e+00 1.932087452e+01 1.66 2.762633278e+01 1.100973636e+01 2.416130509e+01 2.757640545e+01 2.754549585e+01 6.925860653e+00 1.539596799e+01 2.541828889e+01 6.090640042e+00 1.687952886e+01 1.68 2.635289091e+01 9.402908055e+00 2.230611502e+01 2.629645040e+01 2.625985004e+01 5.709402559e+00 1.337115700e+01 2.362724847e+01 4.875237739e+00 1.461612512e+01 1.70 2.474229239e+01 7.946531311e+00 2.037901202e+01 2.468585489e+01 2.464606936e+01 4.638608570e+00 1.149806996e+01 2.169527727e+01 3.808484855e+00 1.253520609e+01 1.72 2.292682495e+01 6.627613066e+00 1.844235252e+01 2.287589344e+01 2.283550190e+01 3.696030842e+00 9.773253865e+00 1.970848886e+01 2.871916401e+00 1.063618067e+01 1.74 2.100574652e+01 5.434682356e+00 1.654428127e+01 2.096447907e+01 2.092616708e+01 2.867086872e+00 8.192770406e+00 1.772986571e+01 2.050495440e+00 8.914506517e+00 1.76 1.905279699e+01 4.357816453e+00 1.473787079e+01 1.902391331e+01 1.899039983e+01 2.139041430e+00 6.752390512e+00 1.580462480e+01 1.331974464e+00 7.362843185e+00 1.78 1.712195548e+01 3.388645855e+00 1.303555679e+01 1.710687055e+01 1.708070522e+01 1.500360612e+00 5.447420745e+00 1.396421205e+01 7.057779822e-01 5.972163815e+00 1.80 1.525210716e+01 2.525094935e+00 1.143919102e+01 1.525096069e+01 1.523421507e+01 9.407357626e-01 4.272380274e+00 1.222914839e+01 1.624077975e-01 4.732613975e+00 1.82 1.347073850e+01 1.778119164e+00 9.948994491e+00 1.348215107e+01 1.347607654e+01 4.510856231e-01 3.220912267e+00 1.061130520e+01 -3.071384021e-01 3.634085730e+00 1.84 1.179625561e+01 1.129081388e+00 8.564239560e+00 1.181736753e+01 1.182219609e+01 2.359005790e-02 2.285850606e+00 9.115546331e+00 -7.116902473e-01 2.666387478e+00 1.86 1.023846098e+01 5.599632492e-01 7.283623355e+00 1.026582820e+01 1.028091282e+01 -3.484199366e-01 1.459332025e+00 7.741447834e+00 -1.059717544e+00 1.819110502e+00 1.88 8.800295011e+00 5.661682291e-02 6.105271257e+00 8.830860249e+00 8.854937309e+00 -6.707441333e-01 7.330035039e-01 6.485365995e+00 -1.358731201e+00 1.081673763e+00 1.90 7.480125137e+00 -3.918904181e-01 5.026206476e+00 7.511647353e+00 7.542976087e+00 -9.485478593e-01 1.008503342e-01 5.341997802e+00 -1.614902002e+00 4.434332073e-01 1.92 6.273443789e+00 -7.938277042e-01 4.042260873e+00 6.304523526e+00 6.341002770e+00 -1.186495597e+00 -4.409263978e-01 4.305093839e+00 -1.833527528e+00 -1.062386640e-01 1.94 5.173968575e+00 -1.155270827e+00 3.148299872e+00 5.203989053e+00 5.243374503e+00 -1.388991262e+00 -9.035407865e-01 3.367924217e+00 -2.019370210e+00 -5.779472760e-01 1.96 4.174591955e+00 -1.480531791e+00 2.338212504e+00 4.203467105e+00 4.243585102e+00 -1.560460343e+00 -1.297050147e+00 2.541085740e+00 -2.176616722e+00 -9.819537666e-01 1.98 3.268337558e+00 -1.772644308e+00 1.605541355e+00 3.296135196e+00 3.334987252e+00 -1.705221393e+00 -1.630477581e+00 1.824584639e+00 -2.308828695e+00 -1.327448415e+00 2.00 2.449074121e+00 -2.033871552e+00 9.440869812e-01 2.475705543e+00 2.511536266e+00 -1.827292476e+00 -1.911890330e+00 1.198260622e+00 -2.419018191e+00 -1.621980348e+00 2.02 1.736977903e+00 -2.262863621e+00 3.652547689e-01 1.762024154e+00 1.793389873e+00 -1.921700181e+00 -2.139852467e+00 6.554030209e-01 -2.503407846e+00 -1.859123832e+00 2.04 1.136001770e+00 -2.460142410e+00 -1.299205923e-01 1.158739401e+00 1.184586714e+00 -1.988123726e+00 -2.317406909e+00 1.873692942e-01 -2.562039833e+00 -2.040280139e+00 2.06 6.215590836e-01 -2.629751435e+00 -5.589354829e-01 6.410526015e-01 6.606936602e-01 -2.034802652e+00 -2.456192944e+00 -2.213848829e-01 -2.601840858e+00 -2.180706319e+00 2.08 1.749082200e-01 -2.775044835e+00 -9.348681829e-01 1.901278919e-01 2.031640528e-01 -2.067177291e+00 -2.565067617e+00 -5.826314175e-01 -2.628029008e+00 -2.292118126e+00 2.10 -2.180342806e-01 -2.898901185e+00 -1.267195123e+00 -2.080460413e-01 -2.017730532e-01 -2.089205283e+00 -2.650647148e+00 -9.052691838e-01 -2.644459591e+00 -2.383150009e+00 2.12 -5.676968507e-01 -3.003795391e+00 -1.562620707e+00 -5.637161280e-01 -5.641616298e-01 -2.104231940e+00 -2.717860461e+00 -1.195933729e+00 -2.653593984e+00 -2.459805517e+00 2.14 -8.816876431e-01 -3.091995482e+00 -1.825802177e+00 -8.842558303e-01 -8.912085077e-01 -2.115044749e+00 -2.770534809e+00 -1.459469307e+00 -2.656575792e+00 -2.525913320e+00 2.16 -1.165499353e+00 -3.165623703e+00 -2.060012492e+00 -1.174873285e+00 -1.187983008e+00 -2.123814768e+00 -2.811731927e+00 -1.699342204e+00 -2.653591549e+00 -2.583631133e+00 2.18 -1.423256751e+00 -3.226632709e+00 -2.267701567e+00 -1.439324079e+00 -1.458078291e+00 -2.131821152e+00 -2.843912609e+00 -1.918123137e+00 -2.644992292e+00 -2.634114738e+00 2.20 -1.658394232e+00 -3.276789755e+00 -2.450848840e+00 -1.680555853e+00 -1.704197564e+00 -2.139568479e+00 -2.869040493e+00 -2.117801095e+00 -2.631779443e+00 -2.678185773e+00 2.22 -1.873755210e+00 -3.317607624e+00 -2.611210113e+00 -1.900899631e+00 -1.928403286e+00 -2.147056837e+00 -2.888714703e+00 -2.299893443e+00 -2.615435687e+00 -2.716483052e+00 2.24 -2.071554487e+00 -3.350330248e+00 -2.750478026e+00 -2.102145090e+00 -2.132259813e+00 -2.154003334e+00 -2.904249292e+00 -2.465527912e+00 -2.597508345e+00 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