# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2003--Lee-B-J-Shim-J-H-Baskes-M-I--Pt # implementation = 2003--Lee-B-J--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 nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan 2.133007775e+03 nan nan nan nan 0.74 nan nan nan nan nan 1.987863628e+03 nan nan nan nan 0.76 nan nan nan nan nan 1.852209204e+03 nan nan 2.158377491e+03 nan 0.78 nan nan nan nan nan 1.725442704e+03 nan nan 1.998493664e+03 nan 0.80 nan nan nan nan nan 1.606999535e+03 nan nan 1.850100232e+03 nan 0.82 nan nan nan nan nan 1.496350057e+03 nan nan 1.712387666e+03 nan 0.84 nan 3.103509687e+03 nan nan nan 1.392997475e+03 2.040304139e+03 nan 1.584602639e+03 2.119367332e+03 0.86 nan 2.862258496e+03 nan nan nan 1.296475839e+03 1.896572905e+03 nan 1.466044165e+03 1.973470332e+03 0.88 nan 2.639144537e+03 nan nan nan 1.206348176e+03 1.762565324e+03 nan 1.356060007e+03 1.837203971e+03 0.90 nan 2.432838137e+03 nan nan nan 1.122204728e+03 1.637642821e+03 nan 1.254043326e+03 1.709952232e+03 0.92 nan 2.242105062e+03 2.410446234e+03 nan nan 1.043661294e+03 1.521207761e+03 3.068284090e+03 1.159429562e+03 1.591137483e+03 0.94 3.053305827e+03 2.065799793e+03 2.241069155e+03 3.053340616e+03 3.053375405e+03 9.703576730e+02 1.412700874e+03 2.852954926e+03 1.071693522e+03 1.480218141e+03 0.96 2.843001348e+03 1.902859268e+03 2.083141981e+03 2.843035976e+03 2.843070604e+03 9.019562018e+02 1.311598844e+03 2.652169498e+03 9.903466695e+02 1.376686471e+03 0.98 2.646633420e+03 1.752297055e+03 1.935912491e+03 2.646667886e+03 2.646702351e+03 8.381403747e+02 1.217412046e+03 2.464974344e+03 9.149346009e+02 1.280066519e+03 1.00 2.463305865e+03 1.613197937e+03 1.798676738e+03 2.463340166e+03 2.463374467e+03 7.786135507e+02 1.129682419e+03 2.290476934e+03 8.450346880e+02 1.189912169e+03 1.02 2.292178663e+03 1.484712865e+03 1.670776013e+03 2.292212798e+03 2.292246934e+03 7.230977360e+02 1.047981480e+03 2.127841862e+03 7.802538863e+02 1.105805318e+03 1.04 2.132464518e+03 1.366054270e+03 1.551593996e+03 2.132498485e+03 2.132532452e+03 6.713324399e+02 9.719084469e+02 1.976287272e+03 7.202266919e+02 1.027354153e+03 1.06 1.983425616e+03 1.256491695e+03 1.440554081e+03 1.983459414e+03 1.983493212e+03 6.230735997e+02 9.010884929e+02 1.835081504e+03 6.646132368e+02 9.541915453e+02 1.08 1.844370597e+03 1.155347739e+03 1.337116874e+03 1.844404223e+03 1.844437849e+03 5.780925702e+02 8.351710986e+02 1.703539946e+03 6.130975158e+02 8.859735243e+02 1.10 1.714651687e+03 1.061994275e+03 1.240777835e+03 1.714685140e+03 1.714718594e+03 5.361751732e+02 7.738285117e+02 1.581022079e+03 5.653857337e+02 8.223778572e+02 1.12 1.593662024e+03 9.758489425e+02 1.151065079e+03 1.593695302e+03 1.593728581e+03 4.971208058e+02 7.167543007e+02 1.466928703e+03 5.212047667e+02 7.631027073e+02 1.14 1.480833129e+03 8.963718785e+02 1.067537303e+03 1.480866230e+03 1.480899332e+03 4.607416011e+02 6.636619993e+02 1.360699332e+03 4.803007283e+02 7.078653746e+02 1.16 1.375632537e+03 8.230626804e+02 9.897818450e+02 1.375665461e+03 1.375698384e+03 4.268616406e+02 6.142838352e+02 1.261809757e+03 4.424376337e+02 6.564011126e+02 1.18 1.277561574e+03 7.554575809e+02 9.174128703e+02 1.277594317e+03 1.277627060e+03 3.953162134e+02 5.683695383e+02 1.169769749e+03 4.073961566e+02 6.084620174e+02 1.20 1.186153260e+03 6.931268238e+02 8.500696610e+02 1.186185821e+03 1.186218382e+03 3.659511213e+02 5.256852232e+02 1.084120915e+03 3.749724703e+02 5.638159826e+02 1.22 1.100970344e+03 6.356722206e+02 7.874150188e+02 1.101002721e+03 1.101035098e+03 3.386220250e+02 4.860123421e+02 1.004434676e+03 3.449771693e+02 5.222457187e+02 1.24 1.021603461e+03 5.827248832e+02 7.291337652e+02 1.021635653e+03 1.021667844e+03 3.131938307e+02 4.491467025e+02 9.303103792e+02 3.172342644e+02 4.835478318e+02 1.26 9.476693964e+02 5.339431133e+02 6.749313357e+02 9.477013999e+02 9.477334035e+02 2.895401138e+02 4.148975477e+02 8.613735205e+02 2.915802472e+02 4.475319580e+02 1.28 8.788094549e+02 4.890104431e+02 6.245324627e+02 8.788412690e+02 8.788730830e+02 2.675425777e+02 3.830866933e+02 7.972740834e+02 2.678632193e+02 4.140199506e+02 1.30 8.146879348e+02 4.476338127e+02 5.776799399e+02 8.147195575e+02 8.147511802e+02 2.470905454e+02 3.535477203e+02 7.376849770e+02 2.459420812e+02 3.828451170e+02 1.32 7.549906896e+02 4.095418784e+02 5.341334649e+02 7.550221190e+02 7.550535484e+02 2.280804825e+02 3.261252164e+02 6.823005726e+02 2.256857769e+02 3.538515022e+02 1.34 6.994237799e+02 3.744834393e+02 4.936685545e+02 6.994550142e+02 6.994862485e+02 2.104155490e+02 3.006740673e+02 6.308353319e+02 2.069725913e+02 3.268932154e+02 1.36 6.477122076e+02 3.422259763e+02 4.560755281e+02 6.477432448e+02 6.477742820e+02 1.940051790e+02 2.770587914e+02 5.830225208e+02 1.896894955e+02 3.018337990e+02 1.38 5.995987269e+02 3.125542953e+02 4.211585549e+02 5.996295651e+02 5.996604033e+02 1.787646855e+02 2.551529169e+02 5.386130035e+02 1.737315378e+02 2.785456351e+02 1.40 5.548427287e+02 2.852692664e+02 3.887347614e+02 5.548733660e+02 5.549040033e+02 1.646148901e+02 2.348383988e+02 4.973741122e+02 1.590012767e+02 2.569093893e+02 1.42 5.132191935e+02 2.601866526e+02 3.586333950e+02 5.132496279e+02 5.132800623e+02 1.514817753e+02 2.160050715e+02 4.590885872e+02 1.454082528e+02 2.368134879e+02 1.44 4.745177083e+02 2.371360237e+02 3.306950409e+02 4.745479379e+02 4.745781675e+02 1.392961577e+02 1.985501378e+02 4.235535847e+02 1.328684979e+02 2.181536277e+02 1.46 4.385415442e+02 2.159597458e+02 3.047708880e+02 4.385715670e+02 4.386015898e+02 1.279933820e+02 1.823776890e+02 3.905797458e+02 1.213040778e+02 2.008323164e+02 1.48 4.051067909e+02 1.965120446e+02 2.807220418e+02 4.051366049e+02 4.051664189e+02 1.175130339e+02 1.673982562e+02 3.599903250e+02 1.106426668e+02 1.847584402e+02 1.50 3.740415446e+02 1.786581351e+02 2.584188800e+02 3.740711478e+02 3.741007511e+02 1.077986698e+02 1.535283900e+02 3.316203731e+02 1.008171519e+02 1.698468595e+02 1.52 3.451851459e+02 1.622734141e+02 2.377404505e+02 3.452145364e+02 3.452439268e+02 9.879756479e+01 1.406902666e+02 3.053159722e+02 9.176526459e+01 1.560180282e+02 1.54 3.183874653e+02 1.472427108e+02 2.185739060e+02 3.184166410e+02 3.184458166e+02 9.046047465e+01 1.288113199e+02 2.809335189e+02 8.342923799e+01 1.431976381e+02 1.56 2.935082323e+02 1.334595907e+02 2.008139759e+02 2.935371912e+02 2.935661500e+02 8.274141385e+01 1.178238964e+02 2.583390526e+02 7.575548812e+01 1.313162839e+02 1.58 2.704164071e+02 1.208257109e+02 1.843624710e+02 2.704451470e+02 2.704738870e+02 7.559744673e+01 1.076649323e+02 2.374076268e+02 6.869431730e+01 1.203091502e+02 1.60 2.489895901e+02 1.092502206e+02 1.691278206e+02 2.490181092e+02 2.490466282e+02 6.898849186e+01 9.827565153e+01 2.180227203e+02 6.219963823e+01 1.101157174e+02 1.62 2.291134697e+02 9.864920600e+01 1.550246381e+02 2.291417657e+02 2.291700618e+02 6.287713863e+01 8.960128299e+01 2.000756862e+02 5.622871742e+01 1.006794858e+02 1.64 2.106813029e+02 8.894517477e+01 1.419733159e+02 2.107093739e+02 2.107374450e+02 5.722847525e+01 8.159079604e+01 1.834652348e+02 5.074193646e+01 9.194771717e+01 1.66 1.935934300e+02 8.006657840e+01 1.298996446e+02 1.936212738e+02 1.936491177e+02 5.200992756e+01 7.419665297e+01 1.680969513e+02 4.570257011e+01 8.387119294e+01 1.68 1.777568179e+02 7.194736879e+01 1.187344579e+02 1.777844325e+02 1.778120471e+02 4.719110789e+01 6.737457742e+01 1.538828427e+02 4.107657979e+01 7.640398650e+01 1.70 1.630846337e+02 6.452658753e+01 1.084132998e+02 1.631120169e+02 1.631394002e+02 4.274367348e+01 6.108333781e+01 1.407409150e+02 3.683242175e+01 6.950325065e+01 1.72 1.494958437e+02 5.774798479e+01 9.887611334e+01 1.495229935e+02 1.495501432e+02 3.864119373e+01 5.528454474e+01 1.285947764e+02 3.294086850e+01 6.312901802e+01 1.74 1.369148386e+02 5.155966631e+01 9.006694924e+01 1.369417527e+02 1.369686668e+02 3.485902588e+01 4.994246150e+01 1.173732671e+02 2.937484292e+01 5.724401418e+01 1.76 1.252710814e+02 4.591376597e+01 8.193369346e+01 1.252977577e+02 1.253244340e+02 3.137419851e+01 4.502382689e+01 1.070101120e+02 2.610926400e+01 5.181348244e+01 1.78 1.144987783e+02 4.076614263e+01 7.442781250e+01 1.145252147e+02 1.145516511e+02 2.816530237e+01 4.049768954e+01 9.744359638e+01 2.312090345e+01 4.680501979e+01 1.80 1.045365700e+02 3.607609886e+01 6.750411491e+01 1.045627643e+02 1.045889585e+02 2.521238817e+01 3.633525307e+01 8.861626224e+01 2.038825242e+01 4.218842323e+01 1.82 9.532724243e+01 3.180612075e+01 6.112052855e+01 9.535319236e+01 9.537914228e+01 2.249687087e+01 3.250973119e+01 8.047462433e+01 1.789139758e+01 3.793554573e+01 1.84 8.681745591e+01 2.792163652e+01 5.523789206e+01 8.684315931e+01 8.686886271e+01 2.000143998e+01 2.899621246e+01 7.296890469e+01 1.561190603e+01 3.402016146e+01 1.86 7.895749168e+01 2.439079326e+01 4.981976010e+01 7.898294634e+01 7.900840099e+01 1.770997562e+01 2.577153372e+01 6.605278432e+01 1.353271833e+01 3.041783949e+01 1.88 7.170101429e+01 2.118424987e+01 4.483222111e+01 7.172621798e+01 7.175142166e+01 1.560746994e+01 2.281416196e+01 5.968317104e+01 1.163804903e+01 2.710582564e+01 1.90 6.500484924e+01 1.827498564e+01 4.024372710e+01 6.502979971e+01 6.505475019e+01 1.367995353e+01 2.010408380e+01 5.381998243e+01 9.913294390e+00 2.406293174e+01 1.92 5.882877479e+01 1.563812273e+01 3.602493446e+01 5.885346979e+01 5.887816480e+01 1.191442657e+01 1.762270231e+01 4.842594297e+01 8.344946506e+00 2.126943208e+01 1.94 5.313532705e+01 1.325076212e+01 3.214855523e+01 5.315976432e+01 5.318420159e+01 1.029879439e+01 1.535274069e+01 4.346639447e+01 6.920513643e+00 1.870696644e+01 1.96 4.788961760e+01 1.109183157e+01 2.858921814e+01 4.791379485e+01 4.793797210e+01 8.821807125e+00 1.327815212e+01 3.890911884e+01 5.628446192e+00 1.635844935e+01 1.98 4.305916275e+01 9.141945061e+00 2.532333875e+01 4.308307768e+01 4.310699262e+01 7.473003347e+00 1.138403575e+01 3.472417257e+01 4.458067908e+00 1.420798521e+01 2.00 3.861372380e+01 7.383272655e+00 2.232899811e+01 3.863737412e+01 3.866102443e+01 6.242657241e+00 9.656558190e+00 3.088373207e+01 3.399512061e+00 1.224078881e+01 2.02 3.452515761e+01 5.799420167e+00 1.958582951e+01 3.454854098e+01 3.457192435e+01 5.121729256e+00 8.082880135e+00 2.736194912e+01 2.443662137e+00 1.044311105e+01 2.04 3.076727672e+01 4.375317834e+00 1.707491256e+01 3.079039081e+01 3.081350490e+01 4.101819921e+00 6.651087981e+00 2.413481602e+01 1.582096794e+00 8.802169433e+00 2.06 2.731571862e+01 3.097117377e+00 1.477867443e+01 2.733856109e+01 2.736140355e+01 3.175126676e+00 5.350129920e+00 2.118003947e+01 8.070387458e-01 7.306083075e+00 2.08 2.414782340e+01 1.952096814e+00 1.268079752e+01 2.417039188e+01 2.419296035e+01 2.334403501e+00 4.169756331e+00 1.847692296e+01 1.113073278e-01 5.943811901e+00 2.10 2.124251937e+01 9.285724605e-01 1.076613330e+01 2.126481148e+01 2.128710358e+01 1.572923180e+00 3.100464136e+00 1.600625691e+01 -5.117255436e-01 4.705099832e+00 2.12 1.858021610e+01 1.581760835e-02 9.020621900e+00 1.860222945e+01 1.862424280e+01 8.844420299e-01 2.133444891e+00 1.375021609e+01 -1.068176236e+00 3.580421659e+00 2.14 1.614270445e+01 -7.960126529e-01 7.431217011e+00 1.616443665e+01 1.618616884e+01 2.631669389e-01 1.260536372e+00 1.169226394e+01 -1.563687324e+00 2.560933392e+00 2.16 1.391306310e+01 -1.515950868e+00 5.985815833e+00 1.393451172e+01 1.395596035e+01 -2.962754352e-01 4.741773964e-01 9.817063193e+00 -2.003462776e+00 1.638425854e+00 2.18 1.187557119e+01 -2.152281391e+00 4.673193693e+00 1.189673381e+01 1.191789643e+01 -7.988674379e-01 -2.326342982e-01 8.110392605e+00 -2.392300603e+00 8.052813266e-01 2.20 1.001562671e+01 -2.712599618e+00 3.482943054e+00 1.003650089e+01 1.005737506e+01 -1.249227296e+00 -8.663813325e-01 6.559069151e+00 -2.734623134e+00 5.443303811e-02 2.22 8.319670210e+00 -3.203866735e+00 2.405416605e+00 8.340253475e+00 8.360836741e+00 -1.651634218e+00 -1.433063304e+00 5.150875532e+00 -3.034505109e+00 -6.206726733e-01 2.24 6.775113544e+00 -3.632460212e+00 1.431674193e+00 6.795403433e+00 6.815693321e+00 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