# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Etesami-S-A-Asadi-E--Cu # implementation = 2018--Etesami-S-A--Cu--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 1.297928594e+03 nan nan nan nan 0.68 nan nan nan nan nan 1.176760208e+03 nan nan nan nan 0.70 nan nan nan nan nan 1.068698563e+03 nan nan 1.276688124e+03 nan 0.72 nan nan nan nan nan 9.721109444e+02 nan nan 1.157275359e+03 nan 0.74 nan nan nan nan nan 8.855932285e+02 nan nan 1.050252604e+03 nan 0.76 nan nan nan nan nan 8.079354193e+02 nan nan 9.537573659e+02 nan 0.78 nan 1.607972820e+03 nan nan nan 7.380924525e+02 1.388544138e+03 nan 8.668629786e+02 1.209564362e+03 0.80 nan 1.466939906e+03 nan nan nan 6.751595075e+02 1.266831167e+03 nan 7.886781383e+02 1.104756788e+03 0.82 nan 1.340013466e+03 nan nan nan 6.183511917e+02 1.156959172e+03 nan 7.183455718e+02 1.009406322e+03 0.84 nan 1.225590841e+03 1.639885485e+03 nan nan 5.669839976e+02 1.057748005e+03 nan 6.550615005e+02 9.228447903e+02 0.86 1.622769633e+03 1.122275008e+03 1.506234133e+03 1.622788619e+03 1.622807604e+03 5.204615170e+02 9.681130797e+02 1.513049823e+03 5.980854799e+02 8.443670161e+02 0.88 1.493970320e+03 1.028844690e+03 1.385011330e+03 1.493989131e+03 1.494007943e+03 4.782619813e+02 8.864444196e+02 1.391886273e+03 5.467437150e+02 7.732681355e+02 0.90 1.376832702e+03 9.427911052e+02 1.274901896e+03 1.376851339e+03 1.376869976e+03 4.399277359e+02 8.105158120e+02 1.281770585e+03 4.993320523e+02 7.088673402e+02 0.92 1.270159308e+03 8.612217958e+02 1.174748272e+03 1.270177770e+03 1.270196233e+03 4.050563514e+02 7.403859071e+02 1.181563753e+03 4.548134450e+02 6.505221502e+02 0.94 1.172890553e+03 7.848849190e+02 1.083502611e+03 1.172908841e+03 1.172927129e+03 3.732930855e+02 6.760263496e+02 1.090257750e+03 4.135075829e+02 5.976361256e+02 0.96 1.084087203e+03 7.142020775e+02 9.981863250e+02 1.084105316e+03 1.084123430e+03 3.443244927e+02 6.172452000e+02 1.006959022e+03 3.755254511e+02 5.496621471e+02 0.98 1.002915237e+03 6.486245105e+02 9.177082121e+02 1.002933177e+03 1.002951117e+03 3.178729811e+02 5.637486319e+02 9.308742115e+02 3.408365908e+02 5.061027449e+02 1.00 9.286328017e+02 5.857238085e+02 8.425249971e+02 9.286505675e+02 9.286683332e+02 2.936921736e+02 5.151848882e+02 8.612977955e+02 3.093182366e+02 4.665085531e+02 1.02 8.605789057e+02 5.262779604e+02 7.728072061e+02 8.605964975e+02 8.606140894e+02 2.715629386e+02 4.711757445e+02 7.976013676e+02 2.807907303e+02 4.304756243e+02 1.04 7.981636459e+02 4.709962379e+02 7.085272875e+02 7.981810639e+02 7.981984819e+02 2.512899863e+02 4.308135917e+02 7.392243367e+02 2.550427388e+02 3.976421232e+02 1.06 7.408597179e+02 4.202224649e+02 6.495230794e+02 7.408769621e+02 7.408942063e+02 2.326989437e+02 3.933809162e+02 6.851482736e+02 2.318489142e+02 3.676847479e+02 1.08 6.882007046e+02 3.740448493e+02 5.955486877e+02 6.882177751e+02 6.882348457e+02 2.156357188e+02 3.588920339e+02 6.320643252e+02 2.109834105e+02 3.403179422e+02 1.10 6.374505816e+02 3.320868767e+02 5.447597147e+02 6.374674786e+02 6.374843756e+02 1.991896266e+02 3.265073602e+02 5.796478459e+02 1.916468989e+02 3.141283469e+02 1.12 5.856678378e+02 2.938262576e+02 4.951181849e+02 5.856845614e+02 5.857012850e+02 1.823813790e+02 2.952492256e+02 5.278626553e+02 1.729890862e+02 2.876063454e+02 1.14 5.344125630e+02 2.592280347e+02 4.475517841e+02 5.344291132e+02 5.344456635e+02 1.657320901e+02 2.655934783e+02 4.778620266e+02 1.552896880e+02 2.614989851e+02 1.16 4.848325618e+02 2.281627706e+02 4.026932956e+02 4.848489389e+02 4.848653159e+02 1.496253252e+02 2.378482038e+02 4.304275797e+02 1.387325176e+02 2.363523753e+02 1.18 4.376954461e+02 2.004336931e+02 3.609129541e+02 4.377116500e+02 4.377278540e+02 1.343178123e+02 2.121766189e+02 3.860398748e+02 1.234149055e+02 2.125270815e+02 1.20 3.934809904e+02 1.758044002e+02 3.223876680e+02 3.934970214e+02 3.935130523e+02 1.199702414e+02 1.886366520e+02 3.449556772e+02 1.093713748e+02 1.902436870e+02 1.22 3.524535177e+02 1.540188693e+02 2.871544606e+02 3.524693758e+02 3.524852339e+02 1.066714046e+02 1.672113004e+02 3.072679603e+02 9.659178057e+01 1.696184183e+02 1.24 3.147184507e+02 1.348156452e+02 2.551515317e+02 3.147341361e+02 3.147498214e+02 9.445705858e+01 1.478317868e+02 2.729522785e+02 8.503513410e+01 1.506909104e+02 1.26 2.802662461e+02 1.179376411e+02 2.262495727e+02 2.802817588e+02 2.802972716e+02 8.332457902e+01 1.303950760e+02 2.419023775e+02 7.464005047e+01 1.334457237e+02 1.28 2.490063360e+02 1.031386660e+02 2.002754574e+02 2.490216763e+02 2.490370166e+02 7.324428297e+01 1.147770060e+02 2.139573311e+02 6.533257219e+01 1.178289231e+02 1.30 2.207931615e+02 9.018752944e+01 1.770299808e+02 2.208083294e+02 2.208234974e+02 6.416811428e+01 1.008420119e+02 1.889220279e+02 5.703194659e+01 1.037607566e+02 1.32 1.954459628e+02 7.887037399e+01 1.563009651e+02 1.954609585e+02 1.954759543e+02 5.603624678e+01 8.845021597e+01 1.665824578e+02 4.965481905e+01 9.114526107e+01 1.34 1.727636681e+02 6.899173410e+01 1.378727834e+02 1.727784918e+02 1.727933155e+02 4.878205248e+01 7.746249416e+01 1.467169513e+02 4.311825104e+01 7.987746109e+01 1.36 1.525359377e+02 6.037469462e+01 1.215331239e+02 1.525505894e+02 1.525652412e+02 4.233578759e+01 6.774399428e+01 1.291042813e+02 3.734182334e+01 6.984868367e+01 1.38 1.345512156e+02 5.286043339e+01 1.070776443e+02 1.345656957e+02 1.345801757e+02 3.662728031e+01 5.916648086e+01 1.135293514e+02 3.224903818e+01 6.095041066e+01 1.40 1.186024622e+02 4.630735713e+01 9.431302635e+01 1.186167706e+02 1.186310789e+02 3.158784458e+01 5.160979786e+01 9.978703832e+01 2.776819303e+01 5.307699977e+01 1.42 1.044910990e+02 4.058998751e+01 8.305882786e+01 1.045052359e+02 1.045193728e+02 2.715159805e+01 4.496267596e+01 8.768463655e+01 2.383283627e+01 4.612753730e+01 1.44 9.202959292e+01 3.559770994e+01 7.314844422e+01 9.204355851e+01 9.205752410e+01 2.325632528e+01 3.912304776e+01 7.704325747e+01 2.038193355e+01 4.000703054e+01 1.46 8.104300855e+01 3.123346704e+01 6.442941896e+01 8.105680298e+01 8.107059740e+01 1.984399721e+01 3.399798332e+01 6.769845456e+01 1.735987513e+01 3.462710242e+01 1.48 7.136979224e+01 2.741245364e+01 5.676328983e+01 7.138341566e+01 7.139703907e+01 1.686103399e+01 2.950342998e+01 5.950028833e+01 1.471634296e+01 2.990631276e+01 1.50 6.286198865e+01 2.406085229e+01 5.002511290e+01 6.287544122e+01 6.288889379e+01 1.425837958e+01 2.556381612e+01 5.231299121e+01 1.240607757e+01 2.577016245e+01 1.52 5.538505117e+01 2.111463450e+01 4.410277212e+01 5.539833305e+01 5.541161494e+01 1.199144056e+01 2.211154850e+01 4.601436117e+01 1.038858046e+01 2.215091179e+01 1.54 4.881737551e+01 1.851844309e+01 3.889615756e+01 4.883048688e+01 4.884359824e+01 1.001993093e+01 1.908644840e+01 4.049498644e+01 8.627779685e+00 1.898733484e+01 1.56 4.304964243e+01 1.622456350e+01 3.431627094e+01 4.306258345e+01 4.307552446e+01 8.307653058e+00 1.643515861e+01 3.565736646e+01 7.091677632e+00 1.622438761e+01 1.58 3.798404428e+01 1.419198705e+01 3.028430540e+01 3.799681511e+01 3.800958595e+01 6.822239904e+00 1.411054678e+01 3.141498224e+01 5.751996415e+00 1.381281833e+01 1.60 3.353344477e+01 1.238556496e+01 2.673072885e+01 3.354604560e+01 3.355864642e+01 5.534875045e+00 1.207112056e+01 2.769135400e+01 4.583829993e+00 1.170874460e+01 1.62 2.962051564e+01 1.077525024e+01 2.359439594e+01 2.963294663e+01 2.964537762e+01 4.420004968e+00 1.028046750e+01 2.441911567e+01 3.565310889e+00 9.873219108e+00 1.64 2.617687537e+01 9.335422135e+00 2.082170129e+01 2.618913670e+01 2.620139803e+01 3.455052076e+00 8.706726051e+00 2.153912333e+01 2.677295169e+00 8.271796604e+00 1.66 2.314225309e+01 8.044287597e+00 1.836578520e+01 2.315434494e+01 2.316643679e+01 2.620136096e+00 7.322092806e+00 1.899961176e+01 1.903068982e+00 6.874113625e+00 1.68 2.046368957e+01 6.883353217e+00 1.618579609e+01 2.047561212e+01 2.048753467e+01 1.897807850e+00 6.102349089e+00 1.675540605e+01 1.228077478e+00 5.653486917e+00 1.70 1.809478524e+01 5.836959910e+00 1.424621235e+01 1.810653867e+01 1.811829211e+01 1.272798723e+00 5.026363537e+00 1.476719266e+01 6.396716624e-01 4.586535514e+00 1.72 1.599500013e+01 4.891812912e+00 1.251622378e+01 1.600658464e+01 1.601816914e+01 7.317874297e-01 4.075699129e+00 1.300085088e+01 1.268258610e-01 3.652828921e+00 1.74 1.412900780e+01 4.036496771e+00 1.096917060e+01 1.414042356e+01 1.415183932e+01 2.631847892e-01 3.234304197e+00 1.142684446e+01 -3.201093376e-01 2.834562404e+00 1.76 1.246610434e+01 3.261183389e+00 9.582038183e+00 1.247735155e+01 1.248859876e+01 -1.430631639e-01 2.488233842e+00 1.001967142e+01 -7.095667174e-01 2.116259972e+00 1.78 1.097967041e+01 2.557417776e+00 8.335003472e+00 1.099074926e+01 1.100182811e+01 -4.956543611e-01 1.825398332e+00 8.757368796e+00 -1.048901055e+00 1.484503936e+00 1.80 9.646685358e+00 1.917930585e+00 7.211029865e+00 9.657596043e+00 9.668506727e+00 -8.020925215e-01 1.235337365e+00 7.621069432e+00 -1.344514439e+00 9.276906486e-01 1.82 8.447289409e+00 1.336474106e+00 6.195471723e+00 8.458032123e+00 8.468774837e+00 -1.068832952e+00 7.090179905e-01 6.594606723e+00 -1.601969318e+00 4.358103689e-01 1.84 7.364392031e+00 8.076792227e-01 5.275657204e+00 7.374966972e+00 7.385541913e+00 -1.301412967e+00 2.386547605e-01 5.664163573e+00 -1.826089785e+00 2.502967239e-04 1.86 6.383322027e+00 3.269300929e-01 4.440604351e+00 6.393729395e+00 6.404136764e+00 -1.504568384e+00 -1.824500965e-01 4.817961618e+00 -2.021052200e+00 -3.863814401e-01 1.88 5.491516736e+00 -1.097843785e-01 3.680808920e+00 5.501756733e+00 5.511996730e+00 -1.682336997e+00 -5.600480406e-01 4.045987134e+00 -2.190465836e+00 -7.304121694e-01 1.90 4.678246393e+00 -5.060606674e-01 2.988056556e+00 4.688319223e+00 4.698392053e+00 -1.838150318e+00 -8.990690628e-01 3.339749779e+00 -2.337444545e+00 -1.037243402e+00 1.92 3.934370667e+00 -8.651585853e-01 2.355256631e+00 3.944276535e+00 3.954182403e+00 -1.974914605e+00 -1.203731574e+00 2.692070960e+00 -2.464670195e+00 -1.311473408e+00 1.94 3.252124120e+00 -1.190036392e+00 1.776295575e+00 3.261863234e+00 3.271602348e+00 -2.095082244e+00 -1.477638931e+00 2.096898621e+00 -2.574448712e+00 -1.557005260e+00 1.96 2.624927590e+00 -1.483381842e+00 1.245907690e+00 2.634500160e+00 2.644072729e+00 -2.200714506e+00 -1.723864256e+00 1.549145461e+00 -2.668759942e+00 -1.777141872e+00 1.98 2.047222901e+00 -1.747639900e+00 7.595617012e-01 2.056629138e+00 2.066035375e+00 -2.293541905e+00 -1.945035241e+00 1.044547977e+00 -2.749303130e+00 -1.974669299e+00 2.00 1.514328126e+00 -1.985037491e+00 3.133611888e-01 1.523568243e+00 1.532808360e+00 -2.375040554e+00 -2.143425117e+00 5.795438521e-01 -2.817535203e+00 -2.151929731e+00 2.02 1.022311333e+00 -2.197605566e+00 -9.604248664e-02 1.031385545e+00 1.040459757e+00 -2.446482897e+00 -2.321008611e+00 1.511634858e-01 -2.874702412e+00 -2.310885181e+00 2.04 5.678804323e-01 -2.387198808e+00 -4.715263696e-01 5.767889565e-01 5.856974806e-01 -2.508946074e+00 -2.479501806e+00 -2.431165164e-01 -2.921864381e+00 -2.453173088e+00 2.06 1.482874213e-01 -2.555513199e+00 -8.155623408e-01 1.570304762e-01 1.657735312e-01 -2.563260446e+00 -2.620396912e+00 -6.055383081e-01 -2.959906917e+00 -2.580154676e+00 2.08 -2.387564998e-01 -2.704101926e+00 -1.130276162e+00 -2.301786936e-01 -2.216008873e-01 -2.609848613e+00 -2.744993235e+00 -9.381183088e-01 -2.989566852e+00 -2.692957845e+00 2.10 -5.952149623e-01 -2.834397119e+00 -1.417539148e+00 -5.868021825e-01 -5.783894028e-01 -2.648686035e+00 -2.854444375e+00 -1.242695673e+00 -3.011540836e+00 -2.792544594e+00 2.12 -9.229101277e-01 -2.947737531e+00 -1.679092827e+00 -9.146621504e-01 -9.064141730e-01 -2.680720144e+00 -2.949821823e+00 -1.520997073e+00 -3.026432865e+00 -2.879803249e+00 2.14 -1.223567348e+00 -3.045378564e+00 -1.916580774e+00 -1.215483948e+00 -1.207400547e+00 -2.706545749e+00 -3.032132064e+00 -1.774654958e+00 -3.034834983e+00 -2.955571143e+00 2.16 -1.498820183e+00 -3.128497093e+00 -2.131553918e+00 -1.490901131e+00 -1.482982080e+00 -2.726611519e+00 -3.102320337e+00 -2.005212438e+00 -3.037325539e+00 -3.020637436e+00 2.18 -1.750214972e+00 -3.198196008e+00 -2.325475429e+00 -1.742460040e+00 -1.734705109e+00 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