# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Zhang-Y-Ashcraft-R-Mendelev-M-I-et-al--Ni-Nb # implementation = 2016--Zhang-Y--Ni-Nb--LAMMPS--ipr1 # composition = Nb # 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 nan nan 0.82 nan nan nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 3.961006941e+04 nan 0.86 nan nan nan nan nan nan nan nan 3.658391679e+04 nan 0.88 nan nan nan nan nan nan nan nan 3.383043236e+04 nan 0.90 nan nan nan nan nan 2.669965859e+04 nan nan 3.131984548e+04 nan 0.92 nan nan nan nan nan 2.470720993e+04 nan nan 2.902625723e+04 nan 0.94 nan nan nan nan nan 2.288349172e+04 nan nan 2.692684599e+04 nan 0.96 nan nan nan nan nan 2.121105059e+04 nan nan 2.500150704e+04 nan 0.98 nan nan nan nan nan 1.967444421e+04 nan nan 2.323258715e+04 nan 1.00 nan nan nan nan nan 1.825999321e+04 nan nan 2.160447121e+04 nan 1.02 nan nan nan 4.195480311e+04 4.195490145e+04 1.695569472e+04 nan nan 2.010337120e+04 2.834098503e+04 1.04 nan 2.643362203e+04 nan 3.930626571e+04 3.930651338e+04 1.575110446e+04 2.689675746e+04 nan 1.871710545e+04 2.647874774e+04 1.06 nan 2.471402811e+04 nan 3.685687256e+04 3.685715450e+04 1.463702893e+04 2.515055040e+04 nan 1.743498842e+04 2.475687099e+04 1.08 nan 2.312138233e+04 nan 3.458825154e+04 3.458845406e+04 1.360525797e+04 2.353340985e+04 nan 1.624755515e+04 2.316233500e+04 1.10 nan 2.164421989e+04 nan 3.248409240e+04 3.248417085e+04 1.264839816e+04 2.203375593e+04 nan 1.514631146e+04 2.168340666e+04 1.12 nan 2.027228336e+04 nan 3.052983304e+04 3.052982005e+04 1.175981036e+04 2.064118087e+04 nan 1.412362698e+04 2.030968364e+04 1.14 nan 1.899640009e+04 nan 2.871238402e+04 2.871234110e+04 1.093353736e+04 1.934626065e+04 nan 1.317264734e+04 1.903197644e+04 1.16 2.702021973e+04 1.780833080e+04 2.445107974e+04 2.702000223e+04 2.701998567e+04 1.016423777e+04 1.814049367e+04 2.521535057e+04 1.228720073e+04 1.784204841e+04 1.18 2.544218663e+04 1.670069743e+04 2.300400291e+04 2.544219449e+04 2.544222852e+04 9.447137649e+03 1.701625816e+04 2.372944091e+04 1.146171509e+04 1.673255808e+04 1.20 2.396920205e+04 1.566679805e+04 2.165322123e+04 2.396945087e+04 2.396952928e+04 8.777936682e+03 1.596671572e+04 2.234250873e+04 1.069117099e+04 1.569694579e+04 1.22 2.259277526e+04 1.470061523e+04 2.039101842e+04 2.259317177e+04 2.259327740e+04 8.152789631e+03 1.498576856e+04 2.104653713e+04 9.971052831e+03 1.472929471e+04 1.24 2.130520100e+04 1.379673945e+04 1.921041036e+04 2.130558012e+04 2.130568867e+04 7.568214053e+03 1.406797185e+04 1.983422395e+04 9.297281827e+03 1.382419537e+04 1.26 2.009944532e+04 1.295031822e+04 1.810494004e+04 2.009965888e+04 2.009973198e+04 7.020979905e+03 1.320843144e+04 1.869891677e+04 8.666185229e+03 1.297667861e+04 1.28 1.896912123e+04 1.215685233e+04 1.706874113e+04 1.896909218e+04 1.896909250e+04 6.508106580e+03 1.240269017e+04 1.763458000e+04 8.074447208e+03 1.218217670e+04 1.30 1.790839704e+04 1.141224936e+04 1.609646735e+04 1.790813725e+04 1.790804931e+04 6.026855371e+03 1.164664141e+04 1.663576690e+04 7.519076601e+03 1.143653434e+04 1.32 1.691195349e+04 1.071279558e+04 1.518319333e+04 1.691154691e+04 1.691139251e+04 5.574721286e+03 1.093651450e+04 1.569748621e+04 6.997358064e+03 1.073600065e+04 1.34 1.597498552e+04 1.005511862e+04 1.432440817e+04 1.597454915e+04 1.597437244e+04 5.149434058e+03 1.026885555e+04 1.481524375e+04 6.506822401e+03 1.007720351e+04 1.36 1.509317565e+04 9.436153956e+03 1.351602990e+04 1.509282161e+04 1.509266194e+04 4.748963866e+03 9.640509557e+03 1.398489828e+04 6.045230357e+03 9.457099257e+03 1.38 1.426248947e+04 8.853110111e+03 1.275440423e+04 1.426230711e+04 1.426219910e+04 4.371523974e+03 9.048599839e+03 1.320267840e+04 5.610542728e+03 8.872883260e+03 1.40 1.347928305e+04 8.303434146e+03 1.203622136e+04 1.347930733e+04 1.347927378e+04 4.015531638e+03 8.490495750e+03 1.246517695e+04 5.200888267e+03 8.322004415e+03 1.42 1.274024372e+04 7.784768011e+03 1.135847593e+04 1.274045967e+04 1.274051282e+04 3.679582784e+03 7.963789460e+03 1.176928479e+04 4.814528039e+03 7.802144985e+03 1.44 1.204233655e+04 7.294943303e+03 1.071843512e+04 1.204270189e+04 1.204284427e+04 3.362410614e+03 7.466285428e+03 1.111215111e+04 4.449859318e+03 7.311204523e+03 1.46 1.138277378e+04 6.831987205e+03 1.011355159e+04 1.138322890e+04 1.138344586e+04 3.062789022e+03 6.995980346e+03 1.049115392e+04 4.105372384e+03 6.847265815e+03 1.48 1.075899780e+04 6.394100155e+03 9.541503683e+03 1.075946466e+04 1.075972289e+04 2.779586873e+03 6.551059680e+03 9.903870170e+03 3.779669810e+03 6.408573656e+03 1.50 1.016864180e+04 5.979616485e+03 9.000138357e+03 1.016903637e+04 1.016929011e+04 2.511752724e+03 6.129881998e+03 9.348053746e+03 3.471465218e+03 5.993493810e+03 1.52 9.609501766e+03 5.586998629e+03 8.487441603e+03 9.609754698e+03 9.609958597e+03 2.258301309e+03 5.730950547e+03 8.821613548e+03 3.179585435e+03 5.600484609e+03 1.54 9.079530788e+03 5.214838525e+03 8.001532072e+03 9.079601005e+03 9.079723343e+03 2.018307137e+03 5.352878779e+03 8.322608150e+03 2.902956421e+03 5.228094357e+03 1.56 8.576838761e+03 4.861843441e+03 7.540658640e+03 8.576715828e+03 8.576741476e+03 1.790899472e+03 4.994365146e+03 7.849253395e+03 2.640597027e+03 4.874963561e+03 1.58 8.099684381e+03 4.526804710e+03 7.103206225e+03 8.099382420e+03 8.099310868e+03 1.575264379e+03 4.654186945e+03 7.399897982e+03 2.391591334e+03 4.539830315e+03 1.60 7.646439696e+03 4.208589198e+03 6.687692761e+03 7.646005501e+03 7.645851516e+03 1.370647280e+03 4.331219503e+03 6.973012734e+03 2.155081355e+03 4.221536380e+03 1.62 7.215584921e+03 3.906143926e+03 6.292744545e+03 7.215095212e+03 7.214885843e+03 1.176350491e+03 4.024389605e+03 6.567191322e+03 1.930280223e+03 3.919033406e+03 1.64 6.805721730e+03 3.618501408e+03 5.917079369e+03 6.805270568e+03 6.805040535e+03 9.917274294e+02 3.732696259e+03 6.181150123e+03 1.716464854e+03 3.631378879e+03 1.66 6.415582515e+03 3.344781385e+03 5.559508793e+03 6.415261262e+03 6.415047577e+03 8.161836392e+02 3.455208128e+03 5.813719158e+03 1.512966040e+03 3.357711390e+03 1.68 6.044008068e+03 3.084173715e+03 5.218933905e+03 6.043876435e+03 6.043711984e+03 6.533066661e+02 3.191060904e+03 5.463814179e+03 1.319165893e+03 3.097192426e+03 1.70 5.689945180e+03 2.835917659e+03 4.894335397e+03 5.690016120e+03 5.689924955e+03 5.201292316e+02 2.939454635e+03 5.130432456e+03 1.134498542e+03 2.849041024e+03 1.72 5.352407621e+03 2.599296439e+03 4.584777176e+03 5.352658208e+03 5.352654391e+03 4.132401384e+02 2.699648894e+03 4.812634608e+03 9.584437152e+02 2.612523965e+03 1.74 5.030471014e+03 2.373639142e+03 4.289411736e+03 5.030856396e+03 5.030943743e+03 3.275237595e+02 2.470959871e+03 4.509542437e+03 7.905200175e+02 2.386954194e+03 1.76 4.723271118e+03 2.158322678e+03 4.007478775e+03 4.723734182e+03 4.723906831e+03 2.588614736e+02 2.252757783e+03 4.220332205e+03 6.354606630e+02 2.171690280e+03 1.78 4.429992776e+03 1.952770917e+03 3.738286093e+03 4.430477549e+03 4.430722955e+03 2.039347336e+02 2.044455046e+03 3.944232360e+03 5.085411593e+02 1.966133288e+03 1.80 4.149866766e+03 1.756453140e+03 3.481182159e+03 4.150326251e+03 4.150626825e+03 1.600649771e+02 1.845494045e+03 3.680521634e+03 4.059263171e+02 1.769726413e+03 1.82 3.882172337e+03 1.568875493e+03 3.235542147e+03 3.882568161e+03 3.882901070e+03 1.250888130e+02 1.655346086e+03 3.428522589e+03 3.230671482e+02 1.581956575e+03 1.84 3.626235480e+03 1.389570613e+03 3.000768610e+03 3.626536293e+03 3.626873910e+03 9.725980732e+01 1.473512252e+03 3.187597614e+03 2.562555979e+02 1.402351840e+03 1.86 3.381419565e+03 1.218093312e+03 2.776291963e+03 3.381603641e+03 3.381915721e+03 7.516822608e+01 1.299531107e+03 2.957146360e+03 2.024704982e+02 1.230471304e+03 1.88 3.147124248e+03 1.054020539e+03 2.561567222e+03 3.147182755e+03 3.147439270e+03 5.767574798e+01 1.132971191e+03 2.736606278e+03 1.592517447e+02 1.065903352e+03 1.90 2.922788203e+03 8.969630678e+02 2.356071978e+03 2.922725554e+03 2.922899713e+03 4.386339314e+01 9.734262178e+02 2.525454023e+03 1.245997910e+02 9.082673721e+02 1.92 2.707891299e+03 7.465484085e+02 2.159307719e+03 2.707720611e+03 2.707792001e+03 3.298995665e+01 8.205198093e+02 2.323203080e+03 9.687901616e+01 7.572146043e+02 1.94 2.501948259e+03 6.099709867e+02 1.970801358e+03 2.501689348e+03 2.501647337e+03 2.445816516e+01 6.753807670e+02 2.129396492e+03 7.475662576e+01 6.192293558e+02 1.96 2.304501574e+03 4.971525025e+02 1.790106803e+03 2.304180863e+03 2.304027018e+03 1.778715242e+01 5.517721010e+02 1.943603112e+03 5.714825893e+01 5.050856886e+02 1.98 2.115120913e+03 4.041983220e+02 1.616806656e+03 2.114767529e+03 2.114513839e+03 1.259019844e+01 4.497288137e+02 1.765416186e+03 4.317278956e+01 4.110284304e+02 2.00 1.933404250e+03 3.276939814e+02 1.450515453e+03 1.933044659e+03 1.932710212e+03 8.556818529e+00 3.655805679e+02 1.594452361e+03 3.211525229e+01 3.336141342e+02 2.02 1.758978597e+03 2.648062523e+02 1.290888986e+03 1.758631282e+03 1.758238789e+03 5.438446990e+00 2.962775686e+02 1.430351455e+03 2.339631239e+01 2.699837783e+02 2.04 1.591492450e+03 2.131832565e+02 1.137595452e+03 1.591166890e+03 1.590740477e+03 3.036985036e+00 2.392848600e+02 1.272770994e+03 1.654731860e+01 2.177603935e+02 2.06 1.430607761e+03 1.708727023e+02 9.903179550e+02 1.430307905e+03 1.429872290e+03 1.194880696e+00 1.924937226e+02 1.121383256e+03 1.118968317e+01 1.749661659e+02 2.08 1.275999896e+03 1.362638482e+02 8.487565793e+02 1.275728019e+03 1.275307676e+03 -2.133984036e-01 1.541494582e+02 9.758758172e+02 7.017819238e+00 1.399570762e+02 2.10 1.127358453e+03 1.080151136e+02 7.127131799e+02 1.127118787e+03 1.126737023e+03 -1.287599780e+00 1.227915076e+02 8.359522952e+02 3.785468460e+00 1.113682366e+02 2.12 9.843879956e+02 8.500834217e+01 5.918976588e+02 9.841877023e+02 9.838656388e+02 -2.106617881e+00 9.720417045e+01 7.016274070e+02 1.294546785e+00 8.806761059e+01 2.14 8.468086255e+02 6.631668756e+01 4.906160492e+02 8.466564901e+02 8.464119964e+02 -2.732474264e+00 7.637565501e+01 5.834036545e+02 -6.139393724e-01 6.911689518e+01 2.16 7.144175781e+02 5.117189075e+01 4.057763615e+02 7.143244404e+02 7.141735359e+02 -3.213551258e+00 5.946423835e+01 4.841482063e+02 -2.067276941e+00 5.373871105e+01 2.18 5.962907566e+02 3.893730295e+01 3.347725520e+02 5.962687870e+02 5.962252026e+02 -3.587204574e+00 4.577137708e+01 4.008829275e+02 -3.167026483e+00 4.128942062e+01 2.20 4.967724054e+02 2.908588900e+01 2.754082628e+02 4.968085283e+02 4.968480967e+02 -3.881891686e+00 3.472003175e+01 3.310979912e+02 -3.993811174e+00 3.123687854e+01 2.22 4.129902883e+02 2.118176878e+01 2.258327023e+02 4.130719127e+02 4.131714746e+02 -4.118935440e+00 2.582905055e+01 2.726759483e+02 -4.611219506e+00 2.314181896e+01 2.24 3.425165549e+02 1.486477135e+01 1.844863682e+02 3.426317505e+02 3.427702843e+02 -4.314019773e+00 1.870027911e+01 2.238302129e+02 -5.069109834e+00 1.664222252e+01 2.26 2.832980621e+02 9.837700540e+00 1.500551155e+02 2.834351663e+02 2.835944459e+02 -4.478486972e+00 1.300528035e+01 1.830619826e+02 -5.406537918e+00 1.144024739e+01 2.28 2.335976642e+02 5.855641810e+00 1.214314375e+02 2.337449221e+02 2.339098041e+02 -4.620350957e+00 8.473807847e+00 1.490921880e+02 -5.653941922e+00 7.291349901e+00 2.30 1.919433745e+02 2.717313451e+00 9.768185328e+01 1.920895040e+02 1.922481202e+02 -4.745089693e+00 4.883804852e+00 1.208359777e+02 -5.834819614e+00 3.995248201e+00 2.32 1.570972214e+02 2.593660512e-01 7.802789101e+01 1.572330103e+02 1.573770676e+02 -4.852053382e+00 2.057295622e+00 9.738003838e+01 -5.963919687e+00 1.394572884e+00 2.34 1.280052804e+02 -1.651900512e+00 6.181176520e+01 1.281245793e+02 1.282493314e+02 -4.940559565e+00 -1.519645854e-01 7.795199793e+01 -6.052566605e+00 -6.399211984e-01 2.36 1.037605759e+02 -3.126942552e+00 4.847003599e+01 1.038603775e+02 1.039641124e+02 -5.013566809e+00 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