# 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--ipr2 # composition = Au # 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 1.248213215e+03 nan 0.82 nan nan nan nan nan nan nan nan 1.134079737e+03 nan 0.84 nan nan nan nan nan nan nan nan 1.031651308e+03 nan 0.86 nan nan nan nan nan 8.122911968e+02 nan nan 9.395574943e+02 nan 0.88 nan nan nan nan nan 7.412918734e+02 nan nan 8.566154027e+02 nan 0.90 nan nan nan nan nan 6.772487789e+02 nan nan 7.817966740e+02 nan 0.92 nan nan nan nan nan 6.193830869e+02 nan nan 7.141983561e+02 nan 0.94 nan nan nan nan nan 5.670101693e+02 nan nan 6.530264838e+02 nan 0.96 nan nan nan nan nan 5.195323499e+02 nan nan 5.975859716e+02 nan 0.98 nan nan nan 1.262859057e+03 1.262882024e+03 4.764277514e+02 nan nan 5.472685867e+02 8.081501168e+02 1.00 nan 7.286403941e+02 nan 1.166069963e+03 1.166093515e+03 4.372386365e+02 7.510278590e+02 nan 5.015408265e+02 7.433908409e+02 1.02 nan 6.698321002e+02 nan 1.077523056e+03 1.077545345e+03 4.015627981e+02 6.910724354e+02 nan 4.599334559e+02 6.843241617e+02 1.04 nan 6.161544530e+02 nan 9.964158000e+02 9.964353648e+02 3.690456878e+02 6.363263815e+02 nan 4.220322064e+02 6.303831244e+02 1.06 nan 5.671059394e+02 nan 9.220384234e+02 9.220550445e+02 3.393710263e+02 5.862855149e+02 nan 3.874697497e+02 5.810605013e+02 1.08 nan 5.222389678e+02 nan 8.537595954e+02 8.537744943e+02 3.122547808e+02 5.404953031e+02 nan 3.559192856e+02 5.359069186e+02 1.10 nan 4.811558249e+02 7.018748901e+02 7.910136088e+02 7.910290346e+02 2.874435797e+02 4.985474215e+02 7.283622319e+02 3.270899531e+02 4.945265857e+02 1.12 7.332757954e+02 4.435034656e+02 6.497889164e+02 7.332923467e+02 7.333102777e+02 2.647144214e+02 4.600786037e+02 6.745930329e+02 3.007231652e+02 4.565686756e+02 1.14 6.801162493e+02 4.089667846e+02 6.018644873e+02 6.801402539e+02 6.801611045e+02 2.438730471e+02 4.247664016e+02 6.251108539e+02 2.765883812e+02 4.217186416e+02 1.16 6.311218345e+02 3.772623453e+02 5.577356787e+02 6.311499855e+02 6.311725152e+02 2.247494657e+02 3.923226619e+02 5.795353951e+02 2.544783796e+02 3.896935733e+02 1.18 5.859298818e+02 3.481335623e+02 5.170721067e+02 5.859573566e+02 5.859795698e+02 2.071911417e+02 3.624881356e+02 5.375246541e+02 2.342053239e+02 3.602402446e+02 1.20 5.442124404e+02 3.213484752e+02 4.795727939e+02 5.442353937e+02 5.442553483e+02 1.910578801e+02 3.350299126e+02 4.987692310e+02 2.155988841e+02 3.331326422e+02 1.22 5.056719930e+02 2.966989987e+02 4.449645545e+02 5.056885879e+02 5.057046873e+02 1.762205547e+02 3.097401307e+02 4.629885809e+02 1.985058201e+02 3.081679002e+02 1.24 4.700387107e+02 2.739986075e+02 4.129998968e+02 4.700485905e+02 4.700598159e+02 1.625616757e+02 2.864335242e+02 4.299281778e+02 1.827893245e+02 2.851615799e+02 1.26 4.370677652e+02 2.530793704e+02 3.834535755e+02 4.370715472e+02 4.370779156e+02 1.499751807e+02 2.649434494e+02 3.993569895e+02 1.683274281e+02 2.639440695e+02 1.28 4.065373472e+02 2.337896435e+02 3.561205525e+02 4.065364841e+02 4.065392788e+02 1.383654575e+02 2.451177516e+02 3.710657072e+02 1.550108033e+02 2.443594691e+02 1.30 3.782468413e+02 2.159918850e+02 3.308158011e+02 3.782434678e+02 3.782448499e+02 1.276465808e+02 2.268160235e+02 3.448652361e+02 1.427405352e+02 2.262662259e+02 1.32 3.520141472e+02 1.995604074e+02 3.073734355e+02 3.520110053e+02 3.520132963e+02 1.177417743e+02 2.099089751e+02 3.205847265e+02 1.314266779e+02 2.095377117e+02 1.34 3.276728461e+02 1.843803923e+02 2.856440043e+02 3.276733818e+02 3.276785107e+02 1.085826621e+02 1.942787838e+02 2.980695052e+02 1.209875764e+02 1.940615628e+02 1.36 3.050712899e+02 1.703481471e+02 2.654912542e+02 3.050790764e+02 3.050882894e+02 1.001081337e+02 1.798190142e+02 2.771796138e+02 1.113493025e+02 1.797374009e+02 1.38 2.840729306e+02 1.573707253e+02 2.467900049e+02 2.840900860e+02 2.841037697e+02 9.226300792e+01 1.664336146e+02 2.577885031e+02 1.024448805e+02 1.664738858e+02 1.40 2.645555474e+02 1.453641108e+02 2.294253047e+02 2.645812765e+02 2.645989158e+02 8.499669985e+01 1.540356233e+02 2.397812970e+02 9.421362476e+01 1.541865516e+02 1.42 2.464085564e+02 1.342511218e+02 2.132924176e+02 2.464391644e+02 2.464594937e+02 7.826235397e+01 1.425461864e+02 2.230526935e+02 8.660063080e+01 1.427968989e+02 1.44 2.295300233e+02 1.239603717e+02 1.982969648e+02 2.295604766e+02 2.295817979e+02 7.201676610e+01 1.318937594e+02 2.075054037e+02 7.955615122e+01 1.322323159e+02 1.46 2.138249810e+02 1.144262897e+02 1.843544341e+02 2.138508278e+02 2.138713923e+02 6.622071269e+01 1.220132191e+02 1.930493683e+02 7.303491475e+01 1.224261665e+02 1.48 1.992050947e+02 1.055892039e+02 1.713884856e+02 1.992235945e+02 1.992419013e+02 6.083896176e+01 1.128447410e+02 1.796014490e+02 6.699547074e+01 1.133179142e+02 1.50 1.855885887e+02 9.739482912e+01 1.593284846e+02 1.855988595e+02 1.856137827e+02 5.583965244e+01 1.043328353e+02 1.670851070e+02 6.139969366e+01 1.048529227e+02 1.52 1.729001162e+02 8.979330036e+01 1.481078907e+02 1.729026543e+02 1.729134019e+02 5.119361788e+01 9.642593637e+01 1.554298992e+02 5.621244120e+01 9.698196070e+01 1.54 1.610703615e+02 8.273833784e+01 1.376637861e+02 1.610665014e+02 1.610725420e+02 4.687385575e+01 8.907650876e+01 1.445710366e+02 5.140148416e+01 8.966040784e+01 1.56 1.500356787e+02 7.618691485e+01 1.279371885e+02 1.500272423e+02 1.500283373e+02 4.285531130e+01 8.224120742e+01 1.344491146e+02 4.693744196e+01 8.284752239e+01 1.58 1.397377040e+02 7.009942627e+01 1.188733287e+02 1.397267967e+02 1.397231532e+02 3.911470131e+01 7.588075553e+01 1.250098865e+02 4.279354724e+01 7.650587851e+01 1.60 1.301230316e+02 6.443991331e+01 1.104217752e+02 1.301118440e+02 1.301042808e+02 3.563046127e+01 6.995956421e+01 1.162038601e+02 3.894522788e+01 7.060103455e+01 1.62 1.211427404e+02 5.917607422e+01 1.025364666e+02 1.211333198e+02 1.211232979e+02 3.238278361e+01 6.444526412e+01 1.079857397e+02 3.536975847e+01 6.510116579e+01 1.64 1.127520248e+02 5.427888216e+01 9.517569866e+01 1.127459670e+02 1.127353727e+02 2.935956496e+01 5.930826142e+01 1.003138698e+02 3.204608836e+01 5.997687716e+01 1.66 1.049098556e+02 4.972191177e+01 8.830185071e+01 1.049080031e+02 1.048987479e+02 2.657329534e+01 5.452137597e+01 9.314979260e+01 2.895480747e+01 5.520111320e+01 1.68 9.757858543e+01 4.548068723e+01 8.188083811e+01 9.758085876e+01 9.757447127e+01 2.400965030e+01 5.005958797e+01 8.645786361e+01 2.607812859e+01 5.074905121e+01 1.70 9.072338846e+01 4.153220898e+01 7.588138090e+01 9.072891254e+01 9.072631586e+01 2.165142398e+01 4.589987775e+01 8.020486446e+01 2.340988859e+01 4.659780889e+01 1.72 8.431163293e+01 3.785484694e+01 7.027439701e+01 8.431919082e+01 8.432070579e+01 1.948276402e+01 4.202107421e+01 7.435972361e+01 2.096115401e+01 4.272608474e+01 1.74 7.831256607e+01 3.442841574e+01 6.503270360e+01 7.832108061e+01 7.832655564e+01 1.748904175e+01 3.840365667e+01 6.889341248e+01 1.871579062e+01 3.911393252e+01 1.76 7.269725335e+01 3.123430324e+01 6.013097080e+01 7.270608772e+01 7.271506104e+01 1.565677585e+01 3.502951946e+01 6.377900235e+01 1.665739832e+01 3.574273350e+01 1.78 6.743865899e+01 2.825553839e+01 5.554568878e+01 6.744765562e+01 6.745948853e+01 1.397351646e+01 3.188171282e+01 5.899174129e+01 1.477090713e+01 3.259515154e+01 1.80 6.251171171e+01 2.547671984e+01 5.125500043e+01 6.252105139e+01 6.253502521e+01 1.242767958e+01 2.894428355e+01 5.450906193e+01 1.304251452e+01 2.965508534e+01 1.82 5.789338498e+01 2.288388001e+01 4.723844993e+01 5.790338527e+01 5.791876091e+01 1.100840621e+01 2.620220370e+01 5.031051784e+01 1.145963189e+01 2.690755856e+01 1.84 5.356267049e+01 2.046436711e+01 4.347686148e+01 5.357363011e+01 5.358967708e+01 9.705546223e+00 2.364137883e+01 4.637754074e+01 1.001081008e+01 2.433861160e+01 1.86 4.950061822e+01 1.822628107e+01 3.995235389e+01 4.951264466e+01 4.952863524e+01 8.509705429e+00 2.125083224e+01 4.269315348e+01 8.685609156e+00 2.193988506e+01 1.88 4.569018796e+01 1.617161106e+01 3.664844742e+01 4.570305773e+01 4.571825362e+01 7.412294247e+00 1.904243154e+01 3.924160978e+01 7.474445558e+00 1.972337946e+01 1.90 4.211593077e+01 1.428625281e+01 3.355017121e+01 4.212900919e+01 4.214266804e+01 6.405527441e+00 1.700896151e+01 3.600804929e+01 6.368443402e+00 1.767880214e+01 1.92 3.876349443e+01 1.255692299e+01 3.064408062e+01 3.877581678e+01 3.878724819e+01 5.482377192e+00 1.513702396e+01 3.297828027e+01 5.359339234e+00 1.579312155e+01 1.94 3.561918461e+01 1.097121594e+01 2.791812459e+01 3.562965083e+01 3.563829304e+01 4.636484803e+00 1.341438050e+01 3.013871123e+01 4.439432694e+00 1.405445622e+01 1.96 3.266971171e+01 9.517667315e+00 2.536143948e+01 3.267735150e+01 3.268284326e+01 3.862068113e+00 1.182983541e+01 2.747640270e+01 3.601584233e+00 1.245196474e+01 1.98 2.990220745e+01 8.185777431e+00 2.296403091e+01 2.990637782e+01 2.990858448e+01 3.153821774e+00 1.037309515e+01 2.497918481e+01 2.839214946e+00 1.097575553e+01 2.00 2.730436509e+01 6.965986613e+00 2.071647259e+01 2.730483804e+01 2.730383295e+01 2.506830877e+00 9.034637123e+00 2.263573545e+01 2.146293712e+00 9.616776612e+00 2.02 2.486462338e+01 5.849609362e+00 1.861912317e+01 2.486154865e+01 2.485756883e+01 1.916506417e+00 7.805608994e+00 2.043559547e+01 1.517303937e+00 8.366719129e+00 2.04 2.257225409e+01 4.828750282e+00 1.668165227e+01 2.256606605e+01 2.255947215e+01 1.378550997e+00 6.677772183e+00 1.838009209e+01 9.471913621e-01 7.217892827e+00 2.06 2.041735673e+01 3.896217607e+00 1.489302286e+01 2.040866573e+01 2.039992055e+01 8.889455231e-01 5.643474460e+00 1.647674805e+01 4.313028500e-01 6.163103601e+00 2.08 1.840117801e+01 3.045439753e+00 1.324211633e+01 1.839103250e+01 1.838102879e+01 4.439446582e-01 4.695638480e+00 1.471506516e+01 -3.466874041e-02 5.195567232e+00 2.10 1.653122595e+01 2.270385558e+00 1.171855096e+01 1.652054521e+01 1.651007629e+01 4.006920768e-02 3.827746977e+00 1.308514960e+01 -4.547259490e-01 4.308864568e+00 2.12 1.479757058e+01 1.565493068e+00 1.031274308e+01 1.478717175e+01 1.477698286e+01 -3.259086308e-01 3.033817727e+00 1.157791675e+01 -8.325909513e-01 3.496962511e+00 2.14 1.319082634e+01 9.255941778e-01 9.015907239e+00 1.318142360e+01 1.317219733e+01 -6.569846660e-01 2.308359967e+00 1.018500045e+01 -1.171718610e+00 2.754249018e+00 2.16 1.170239124e+01 3.458577431e-01 7.820005643e+00 1.169454972e+01 1.168684239e+01 -9.559405551e-01 1.646329624e+00 8.898669505e+00 -1.475305597e+00 2.075556356e+00 2.18 1.032441022e+01 -1.782615650e-01 6.717684466e+00 1.031849920e+01 1.031268538e+01 -1.225359575e+00 1.043079551e+00 7.711753991e+00 -1.746300755e+00 1.456155507e+00 2.20 9.049675840e+00 -6.510567373e-01 5.702176307e+00 9.045854146e+00 9.042100107e+00 -1.467626812e+00 4.943128240e-01 6.617563141e+00 -1.987420162e+00 8.917061231e-01 2.22 7.871545726e+00 -1.076582481e+00 4.767244425e+00 7.869765163e+00 7.868030396e+00 -1.684932776e+00 -3.957013419e-03 5.609831137e+00 -2.201164023e+00 3.781955542e-01 2.24 6.783819569e+00 -1.458654688e+00 3.907126446e+00 6.783857250e+00 6.783926252e+00 -1.879273229e+00 -4.554368592e-01 4.682657155e+00 -2.389836948e+00 -8.813057633e-02 2.26 5.780627110e+00 -1.800840424e+00 3.116496539e+00 5.782142136e+00 5.783677601e+00 -2.052455305e+00 -8.635828047e-01 3.830459114e+00 -2.555566597e+00 -5.108190896e-01 2.28 4.856347832e+00 -2.106446744e+00 2.390435639e+00 4.858939798e+00 4.861544936e+00 -2.206110387e+00 -1.231626251e+00 3.047947057e+00 -2.700313505e+00 -8.932312509e-01 2.30 4.005578287e+00 -2.378514759e+00 1.724402869e+00 4.008846708e+00 4.012123527e+00 -2.341847271e+00 -1.562598879e+00 2.330119026e+00 -2.825878494e+00 -1.238537761e+00 2.32 3.223145461e+00 -2.619823672e+00 1.114209973e+00 3.226732589e+00 3.230325014e+00 -2.461213672e+00 -1.859352566e+00 1.672273539e+00 -2.933905383e+00 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