# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Pt # 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 2.716047568e+03 nan 0.70 nan nan nan nan nan nan nan nan 2.437345205e+03 nan 0.72 nan nan nan nan nan nan nan nan 2.191716062e+03 nan 0.74 nan nan nan nan nan 1.709397270e+03 nan nan 1.974601318e+03 nan 0.76 nan nan nan nan nan 1.543152996e+03 nan nan 1.782162192e+03 nan 0.78 nan nan nan nan nan 1.395438912e+03 nan nan 1.611150782e+03 nan 0.80 nan nan nan nan nan 1.263875558e+03 nan nan 1.458809001e+03 nan 0.82 nan nan nan nan nan 1.146431673e+03 nan nan 1.322783792e+03 nan 0.84 nan nan nan 2.662042489e+03 2.662074649e+03 1.041366812e+03 nan nan 1.201062298e+03 1.738110304e+03 0.86 nan 1.559497836e+03 nan 2.435421025e+03 2.435451779e+03 9.471856001e+02 1.602653694e+03 nan 1.091916310e+03 1.585216512e+03 0.88 nan 1.422981338e+03 nan 2.231065979e+03 2.231095415e+03 8.625967907e+02 1.463246615e+03 nan 9.938552711e+02 1.447585911e+03 0.90 nan 1.299905930e+03 nan 2.046430843e+03 2.046459030e+03 7.864837407e+02 1.337524175e+03 nan 9.055906703e+02 1.323458209e+03 0.92 nan 1.188744027e+03 nan 1.879302774e+03 1.879329830e+03 7.178766485e+02 1.223936413e+03 nan 8.260047603e+02 1.211306417e+03 0.94 nan 1.088167400e+03 nan 1.727753919e+03 1.727780000e+03 6.559294911e+02 1.121134278e+03 nan 7.541251372e+02 1.109800598e+03 0.96 1.590073713e+03 9.970171228e+02 1.420481783e+03 1.590098633e+03 1.590124085e+03 5.999046991e+02 1.027941176e+03 1.470770400e+03 6.891029190e+02 1.017779612e+03 0.98 1.464834809e+03 9.142787676e+02 1.307246339e+03 1.464859730e+03 1.464884689e+03 5.491571905e+02 9.433261410e+02 1.353967238e+03 6.301958422e+02 9.342285162e+02 1.00 1.350714984e+03 8.390643677e+02 1.204118189e+03 1.350739721e+03 1.350763947e+03 5.031207691e+02 8.663858764e+02 1.247573774e+03 5.767530907e+02 8.582560164e+02 1.02 1.246573124e+03 7.705923153e+02 1.110057341e+03 1.246597078e+03 1.246620579e+03 4.612976869e+02 7.963257945e+02 1.150518725e+03 5.282021039e+02 7.890764553e+02 1.04 1.151401847e+03 7.081746069e+02 1.024144197e+03 1.151424534e+03 1.151447306e+03 4.232491992e+02 7.324453971e+02 1.061857034e+03 4.840383538e+02 7.259988400e+02 1.06 1.064308774e+03 6.512035666e+02 9.455674034e+02 1.064330595e+03 1.064352628e+03 3.885877224e+02 6.741253185e+02 9.807531118e+02 4.438160815e+02 6.684118606e+02 1.08 9.845054280e+02 5.991416101e+02 8.736091320e+02 9.845260657e+02 9.845474214e+02 3.569711163e+02 6.208178759e+02 9.064670347e+02 4.071406710e+02 6.157729678e+02 1.10 9.112897878e+02 5.515115825e+02 8.076308564e+02 9.113101134e+02 9.113309248e+02 3.280956981e+02 5.720360237e+02 8.383418925e+02 3.736618369e+02 5.676013899e+02 1.12 8.440392664e+02 5.078893330e+02 7.470654782e+02 8.440594493e+02 8.440797011e+02 3.016915266e+02 5.273467363e+02 7.757940784e+02 3.430682675e+02 5.234693468e+02 1.14 7.821979208e+02 4.678970568e+02 6.914079450e+02 7.822179197e+02 7.822376149e+02 2.775193378e+02 4.863638626e+02 7.183032659e+02 3.150826196e+02 4.829960238e+02 1.16 7.252696155e+02 4.311983180e+02 6.402064758e+02 7.252891458e+02 7.253083508e+02 2.553657062e+02 4.487434628e+02 6.654042889e+02 2.894575907e+02 4.458409666e+02 1.18 6.728105507e+02 3.974911704e+02 5.930578268e+02 6.728293173e+02 6.728478806e+02 2.350403008e+02 4.141774729e+02 6.166816078e+02 2.659721366e+02 4.116994949e+02 1.20 6.244225531e+02 3.665055457e+02 5.496008017e+02 6.244404195e+02 6.244581966e+02 2.163731803e+02 3.823897990e+02 5.717626332e+02 2.444282116e+02 3.802981608e+02 1.22 5.797485025e+02 3.379989900e+02 5.095106912e+02 5.797653642e+02 5.797823156e+02 1.992120697e+02 3.531325228e+02 5.303130595e+02 2.246484667e+02 3.513917478e+02 1.24 5.384672184e+02 3.117529444e+02 4.724949981e+02 5.384829872e+02 5.384991470e+02 1.834204095e+02 3.261823006e+02 4.920318300e+02 2.064732339e+02 3.247599277e+02 1.26 5.002886754e+02 2.875708771e+02 4.382902400e+02 5.003036695e+02 5.003191072e+02 1.688751932e+02 3.013382163e+02 4.566478269e+02 1.897591591e+02 3.002042009e+02 1.28 4.649516949e+02 2.652757095e+02 4.066591273e+02 4.649662350e+02 4.649809812e+02 1.554662872e+02 2.784191524e+02 4.239166484e+02 1.743772750e+02 2.775452776e+02 1.30 4.322205713e+02 2.447071112e+02 3.773874134e+02 4.322344684e+02 4.322485127e+02 1.430948814e+02 2.572610960e+02 3.936171982e+02 1.602111892e+02 2.566216270e+02 1.32 4.018811364e+02 2.257194624e+02 3.502800244e+02 4.018945144e+02 4.019079257e+02 1.316713844e+02 2.377158631e+02 3.655494437e+02 1.471556631e+02 2.372864120e+02 1.34 3.737397653e+02 2.081812594e+02 3.251608571e+02 3.737526750e+02 3.737655336e+02 1.211151954e+02 2.196488687e+02 3.395318745e+02 1.351157602e+02 2.194071644e+02 1.36 3.476205172e+02 1.919731561e+02 3.018699307e+02 3.476330868e+02 3.476455188e+02 1.113533411e+02 2.029380711e+02 3.153998664e+02 1.240052181e+02 2.028637466e+02 1.38 3.233637310e+02 1.769862661e+02 2.802617722e+02 3.233757154e+02 3.233876178e+02 1.023198141e+02 1.874725298e+02 2.930038267e+02 1.137458041e+02 1.875470794e+02 1.40 3.008233063e+02 1.631214123e+02 2.602040145e+02 3.008347842e+02 3.008461730e+02 9.395477164e+01 1.731515815e+02 2.722070076e+02 1.042667279e+02 1.733579632e+02 1.42 2.798662129e+02 1.502885301e+02 2.415755967e+02 2.798772214e+02 2.798880726e+02 8.620394653e+01 1.598835157e+02 2.528849791e+02 9.550365692e+01 1.602061580e+02 1.44 2.603712127e+02 1.384054088e+02 2.242657011e+02 2.603817039e+02 2.603919940e+02 7.901772961e+01 1.475847948e+02 2.349241697e+02 8.739804717e+01 1.480093669e+02 1.46 2.422274161e+02 1.273971301e+02 2.081735392e+02 2.422373391e+02 2.422470580e+02 7.235125826e+01 1.361788286e+02 2.182206353e+02 7.989645792e+01 1.366918810e+02 1.48 2.253336111e+02 1.171947007e+02 1.932065975e+02 2.253426440e+02 2.253517639e+02 6.616341787e+01 1.255958850e+02 2.026793045e+02 7.295032501e+01 1.261852663e+02 1.50 2.095962072e+02 1.077350228e+02 1.792800376e+02 2.096043631e+02 2.096129054e+02 6.041665461e+01 1.157721108e+02 1.882127194e+02 6.651542716e+01 1.164266625e+02 1.52 1.949294179e+02 9.896054310e+01 1.663161965e+02 1.949370059e+02 1.949450269e+02 5.507684447e+01 1.066489426e+02 1.747408685e+02 6.055117269e+01 1.073585568e+02 1.54 1.812549992e+02 9.081855832e+01 1.542438681e+02 1.812621302e+02 1.812696515e+02 5.011277135e+01 9.817290734e+01 1.621903762e+02 5.502053257e+01 9.892843834e+01 1.56 1.685007252e+02 8.326061822e+01 1.429974523e+02 1.685075611e+02 1.685146595e+02 4.549594232e+01 9.029491788e+01 1.504936585e+02 4.988972453e+01 9.108805890e+01 1.58 1.566001236e+02 7.624231328e+01 1.325162351e+02 1.566068065e+02 1.566135555e+02 4.120005000e+01 8.296957168e+01 1.395887283e+02 4.512777363e+01 8.379313580e+01 1.60 1.454921126e+02 6.972279543e+01 1.227443867e+02 1.454986243e+02 1.455050419e+02 3.720090742e+01 7.615551132e+01 1.294182678e+02 4.070615791e+01 7.700306037e+01 1.62 1.351204189e+02 6.366429765e+01 1.136308004e+02 1.351266621e+02 1.351327534e+02 3.347648093e+01 6.981471491e+01 1.199295082e+02 3.659888967e+01 7.068056069e+01 1.64 1.254327330e+02 5.803226243e+01 1.051283986e+02 1.254387431e+02 1.254445465e+02 3.000658942e+01 6.391219359e+01 1.110737524e+02 3.278215556e+01 6.479097741e+01 1.66 1.163810357e+02 5.279494977e+01 9.719350696e+01 1.163868757e+02 1.163924231e+02 2.678164590e+01 5.841576802e+01 1.028061508e+02 2.924078756e+01 5.930269854e+01 1.68 1.079209787e+02 4.792312187e+01 8.978591302e+01 1.079266050e+02 1.079319229e+02 2.379229069e+01 5.329572553e+01 9.508527738e+01 2.595812269e+01 5.418663802e+01 1.70 1.000115217e+02 4.338983348e+01 8.286846220e+01 1.000168322e+02 1.000219429e+02 2.103405401e+01 4.852461846e+01 8.787274371e+01 2.293412288e+01 4.941596130e+01 1.72 9.261442322e+01 3.917024494e+01 7.640679020e+01 9.261951212e+01 9.262449991e+01 1.849226467e+01 4.407725677e+01 8.113296717e+01 2.015125488e+01 4.496565707e+01 1.74 8.569450819e+01 3.524154361e+01 7.036909706e+01 8.569934944e+01 8.570417919e+01 1.615320427e+01 3.993033860e+01 7.483314220e+01 1.759326362e+01 4.081287812e+01 1.76 7.921917578e+01 3.158942033e+01 6.472594131e+01 7.922372732e+01 7.922834837e+01 1.400402053e+01 3.606222668e+01 6.894282972e+01 1.524499873e+01 3.693651617e+01 1.78 7.315837339e+01 2.819918695e+01 5.945021025e+01 7.316251684e+01 7.316686209e+01 1.203260524e+01 3.245310255e+01 6.343402355e+01 1.309231492e+01 3.331720737e+01 1.80 6.748377494e+01 2.506934905e+01 5.451638344e+01 6.748754228e+01 6.749160215e+01 1.022750754e+01 2.909561956e+01 5.828038887e+01 1.112195495e+01 2.994351714e+01 1.82 6.216926689e+01 2.218229394e+01 4.990095889e+01 6.217273967e+01 6.217652720e+01 8.578049009e+00 2.597958090e+01 5.345773054e+01 9.321552782e+00 2.680165269e+01 1.84 5.719072045e+01 1.952156530e+01 4.558224534e+01 5.719398686e+01 5.719751517e+01 7.074145482e+00 2.309788336e+01 4.894361762e+01 7.679499554e+00 2.389260723e+01 1.86 5.252571715e+01 1.707176377e+01 4.154011340e+01 5.252887002e+01 5.253215218e+01 5.706248785e+00 2.043522787e+01 4.471722515e+01 6.184900613e+00 2.120156697e+01 1.88 4.815343507e+01 1.481847159e+01 3.775593739e+01 4.815644653e+01 4.815948780e+01 4.465165610e+00 1.797729184e+01 4.075922238e+01 4.827581609e+00 1.871464788e+01 1.90 4.405449504e+01 1.274812713e+01 3.421234480e+01 4.405734490e+01 4.406015259e+01 3.341979590e+00 1.571063121e+01 3.705163729e+01 3.597956465e+00 1.641875702e+01 1.92 4.021083546e+01 1.084810868e+01 3.090202173e+01 4.021352845e+01 4.021613006e+01 2.328753515e+00 1.362272287e+01 3.357774283e+01 2.486996729e+00 1.430161159e+01 1.94 3.660569597e+01 9.106600688e+00 2.781519920e+01 3.660823726e+01 3.661065663e+01 1.417709999e+00 1.170182028e+01 3.033393638e+01 1.486189781e+00 1.235172533e+01 1.96 3.322347669e+01 7.512451208e+00 2.494796528e+01 3.322587893e+01 3.322813677e+01 6.014272467e-01 9.936868982e+00 2.731022380e+01 5.874672444e-01 1.055829781e+01 1.98 3.006311082e+01 6.055230549e+00 2.228658692e+01 3.006539123e+01 3.006750029e+01 -1.271792880e-01 8.317506067e+00 2.450063357e+01 -2.169057788e-01 8.911167015e+00 2.00 2.711389613e+01 4.725229378e+00 1.981814183e+01 2.711601690e+01 2.711799376e+01 -7.744662708e-01 6.834009087e+00 2.189177158e+01 -9.342818093e-01 7.400765593e+00 2.02 2.437002693e+01 3.513529580e+00 1.753047171e+01 2.437190794e+01 2.437375175e+01 -1.346462872e+00 5.477237093e+00 1.947101762e+01 -1.570453976e+00 6.018080455e+00 2.04 2.181855140e+01 2.411704292e+00 1.541213815e+01 2.182027529e+01 2.182203545e+01 -1.849981444e+00 4.238594892e+00 1.722652265e+01 -2.132142372e+00 4.754615758e+00 2.06 1.944765426e+01 1.411866408e+00 1.345235041e+01 1.944931161e+01 1.945103898e+01 -2.290891417e+00 3.109994367e+00 1.514720918e+01 -2.625812927e+00 3.602358979e+00 2.08 1.724624374e+01 5.066347856e-01 1.164084538e+01 1.724788476e+01 1.724959579e+01 -2.674749758e+00 2.083736454e+00 1.322264619e+01 -3.057144748e+00 2.553749972e+00 2.10 1.520386150e+01 -3.108972732e-01 9.968122805e+00 1.520551067e+01 1.520720131e+01 -3.006801856e+00 1.152666263e+00 1.144301293e+01 -3.431385269e+00 1.601652908e+00 2.12 1.331064793e+01 -1.047138950e+00 8.425083173e+00 1.331230805e+01 1.331397472e+01 -3.292556682e+00 3.099276772e-01 9.799064729e+00 -3.753579082e+00 7.393308662e-01 2.14 1.155730945e+01 -1.707363446e+00 7.003290253e+00 1.155895580e+01 1.156059533e+01 -3.536332963e+00 -4.506728027e-01 8.282012890e+00 -4.028455702e+00 -3.957703278e-02 2.16 9.935087660e+00 -2.297803046e+00 5.694920717e+00 9.936699787e+00 9.938309447e+00 -3.742163891e+00 -1.134990088e+00 6.883706224e+00 -4.260437840e+00 -7.410725507e-01 2.18 8.435661595e+00 -2.823887413e+00 4.492571015e+00 8.437239016e+00 8.438816437e+00 -3.914016332e+00 -1.747801326e+00 5.596449528e+00 -4.453937784e+00 -1.370915981e+00 2.20 7.051262786e+00 -3.290579212e+00 3.389278275e+00 7.052805969e+00 7.054349152e+00 -4.055548880e+00 -2.295185020e+00 4.413003471e+00 -4.612686949e+00 -1.934239477e+00 2.22 5.774585173e+00 -3.702512620e+00 2.378495012e+00 5.776092246e+00 5.777599319e+00 -4.169428663e+00 -2.782125501e+00 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