# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Al # implementation = 2017--Kim-J-S--Pt-Al--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Al Al Al Pt Pt Pt 0.02 4.975659969e+02 3.783193839e+03 1.089998060e+04 0.04 4.734661694e+02 3.567809274e+03 1.020280507e+04 0.06 4.504710498e+02 3.364136922e+03 9.548989198e+03 0.08 4.285317607e+02 3.171566721e+03 8.935899619e+03 0.10 4.076015262e+02 2.989519026e+03 8.361059655e+03 0.12 3.876355837e+02 2.817443164e+03 7.822140148e+03 0.14 3.685910993e+02 2.654816057e+03 7.316950828e+03 0.16 3.504270874e+02 2.501140899e+03 6.843432183e+03 0.18 3.331043327e+02 2.355945899e+03 6.399647799e+03 0.20 3.165853158e+02 2.218783080e+03 5.983777131e+03 0.22 3.008341416e+02 2.089227129e+03 5.594108703e+03 0.24 2.858164714e+02 1.966874301e+03 5.229033695e+03 0.26 2.714994565e+02 1.851341380e+03 4.887039902e+03 0.28 2.578516757e+02 1.742264674e+03 4.566706041e+03 0.30 2.448430748e+02 1.639299069e+03 4.266696390e+03 0.32 2.324449088e+02 1.542117119e+03 3.985755740e+03 0.34 2.206296863e+02 1.450408184e+03 3.722704632e+03 0.36 2.093711163e+02 1.363877602e+03 3.476434878e+03 0.38 1.986440571e+02 1.282245905e+03 3.245905342e+03 0.40 1.884244678e+02 1.205248068e+03 3.030137962e+03 0.42 1.786893608e+02 1.132632796e+03 2.828214006e+03 0.44 1.694167576e+02 1.064161843e+03 2.639270548e+03 0.46 1.605856450e+02 9.996093607e+02 2.462497149e+03 0.48 1.521759346e+02 9.387612864e+02 2.297132730e+03 0.50 1.441684226e+02 8.814147501e+02 2.142462628e+03 0.52 1.365447521e+02 8.273775159e+02 1.997815828e+03 0.54 1.292873771e+02 7.764674481e+02 1.862562353e+03 0.56 1.223795272e+02 7.285120031e+02 1.736110806e+03 0.58 1.158051746e+02 6.833477461e+02 1.617906065e+03 0.60 1.095490020e+02 6.408198905e+02 1.507427102e+03 0.62 1.035963721e+02 6.007818601e+02 1.404184940e+03 0.64 9.793329797e+01 5.630948718e+02 1.307720721e+03 0.66 9.254641541e+01 5.276275395e+02 1.217603896e+03 0.68 8.742295569e+01 4.942554962e+02 1.133430522e+03 0.70 8.255071991e+01 4.628610355e+02 1.054821647e+03 0.72 7.791805426e+01 4.333327698e+02 9.814218106e+02 0.74 7.351382636e+01 4.055653060e+02 9.128976150e+02 0.76 6.932740264e+01 3.794589367e+02 8.489363920e+02 0.78 6.534862665e+01 3.549193464e+02 7.892449440e+02 0.80 6.156779820e+01 3.318573330e+02 7.335483617e+02 0.82 5.797565358e+01 3.101885421e+02 6.815889118e+02 0.84 5.456334641e+01 2.898332151e+02 6.331249902e+02 0.86 5.132242944e+01 2.707159499e+02 5.879301387e+02 0.88 4.824483707e+01 2.527654731e+02 5.457921194e+02 0.90 4.532286865e+01 2.359144237e+02 5.065120450e+02 0.92 4.254917242e+01 2.200991479e+02 4.699035610e+02 0.94 3.991673022e+01 2.052595042e+02 4.357920766e+02 0.96 3.741884279e+01 1.913386775e+02 4.040140423e+02 0.98 3.504911575e+01 1.782830039e+02 3.744162699e+02 1.00 3.280144609e+01 1.660418035e+02 3.468552946e+02 1.02 3.067000939e+01 1.545672213e+02 3.211967744e+02 1.04 2.864924742e+01 1.438140776e+02 2.973149264e+02 1.06 2.673385637e+01 1.337397245e+02 2.750919968e+02 1.08 2.491877559e+01 1.243039105e+02 2.544177628e+02 1.10 2.319917677e+01 1.154686521e+02 2.351890650e+02 1.12 2.157045360e+01 1.071981118e+02 2.173093679e+02 1.14 2.002821191e+01 9.945848192e+01 2.006883471e+02 1.16 1.856826019e+01 9.221787541e+01 1.852415016e+02 1.18 1.718660058e+01 8.544622141e+01 1.708897895e+02 1.20 1.587942018e+01 7.911516668e+01 1.575592860e+02 1.22 1.464308283e+01 7.319798201e+01 1.451808627e+02 1.24 1.347412117e+01 6.766947350e+01 1.336898856e+02 1.26 1.236922912e+01 6.250589853e+01 1.230259323e+02 1.28 1.132525461e+01 5.768488605e+01 1.131325265e+02 1.30 1.033919273e+01 5.318536113e+01 1.039568880e+02 1.32 9.408179101e+00 4.898747343e+01 9.544969920e+01 1.34 8.529483585e+00 4.507252943e+01 8.756488529e+01 1.36 7.700504238e+00 4.142292832e+01 8.025940794e+01 1.38 6.918761553e+00 3.802210117e+01 7.349307208e+01 1.40 6.181892947e+00 3.485445347e+01 6.722834442e+01 1.42 5.487647479e+00 3.190531057e+01 6.143018330e+01 1.44 4.833880804e+00 2.916086622e+01 5.606587901e+01 1.46 4.218550339e+00 2.660813368e+01 5.110490415e+01 1.48 3.639710636e+00 2.423489958e+01 4.651877325e+01 1.50 3.095508954e+00 2.202968018e+01 4.228091117e+01 1.52 2.584181018e+00 1.998168000e+01 3.836652971e+01 1.54 2.104046958e+00 1.808075262e+01 3.475251200e+01 1.56 1.653507418e+00 1.631736353e+01 3.141730414e+01 1.58 1.231039840e+00 1.468255495e+01 2.834081362e+01 1.60 8.351948991e-01 1.316791229e+01 2.550431422e+01 1.62 4.645930965e-01 1.176553229e+01 2.289035690e+01 1.64 1.179215016e-01 1.046799245e+01 2.048268632e+01 1.66 -2.060693625e-01 9.268321730e+00 1.826616272e+01 1.68 -5.085684945e-01 8.159972157e+00 1.622668879e+01 1.70 -7.907072569e-01 7.136791168e+00 1.435114117e+01 1.72 -1.053562087e+00 6.192994486e+00 1.262730645e+01 1.74 -1.298157087e+00 5.323139299e+00 1.104382121e+01 1.76 -1.525466485e+00 4.522097604e+00 9.590116033e+00 1.78 -1.736416992e+00 3.785029619e+00 8.256363126e+00 1.80 -1.931890042e+00 3.107357308e+00 7.033427395e+00 1.82 -2.112723920e+00 2.484738157e+00 5.912820736e+00 1.84 -2.279715802e+00 1.913039548e+00 4.886659377e+00 1.86 -2.433623682e+00 1.388314225e+00 3.947624054e+00 1.88 -2.575168220e+00 9.067776250e-01 3.088922877e+00 1.90 -2.705034493e+00 4.647879958e-01 2.304256709e+00 1.92 -2.823873667e+00 5.883052694e-02 1.587786893e+00 1.94 -2.932304586e+00 -3.144931350e-01 9.341052055e-01 1.96 -3.030915285e+00 -6.584684123e-01 3.382058600e-01 1.98 -3.120264438e+00 -9.762627241e-01 -2.045405506e-01 2.00 -3.200882732e+00 -1.270910232e+00 -6.984113290e-01 2.02 -3.273274177e+00 -1.545285106e+00 -1.147354290e+00 2.04 -3.337917358e+00 -1.802062639e+00 -1.555008856e+00 2.06 -3.395266630e+00 -2.043668636e+00 -1.924725771e+00 2.08 -3.445753254e+00 -2.272219174e+00 -2.259585565e+00 2.10 -3.489786485e+00 -2.489455146e+00 -2.562415905e+00 2.12 -3.527754614e+00 -2.696678781e+00 -2.835807985e+00 2.14 -3.560025953e+00 -2.894702198e+00 -3.082132080e+00 2.16 -3.586949788e+00 -3.083820187e+00 -3.303552406e+00 2.18 -3.608857279e+00 -3.263819676e+00 -3.502041419e+00 2.20 -3.626062331e+00 -3.434035634e+00 -3.679393656e+00 2.22 -3.638862414e+00 -3.593456678e+00 -3.837239230e+00 2.24 -3.647539357e+00 -3.740873994e+00 -3.977057022e+00 2.26 -3.652360102e+00 -3.875056383e+00 -4.100187632e+00 2.28 -3.653577425e+00 -3.994925719e+00 -4.207846040e+00 2.30 -3.651430623e+00 -4.099704538e+00 -4.301133947e+00 2.32 -3.646146176e+00 -4.189012469e+00 -4.381051677e+00 2.34 -3.637938375e+00 -4.262899941e+00 -4.448509498e+00 2.36 -3.627009919e+00 -4.321821796e+00 -4.504338199e+00 2.38 -3.613552494e+00 -4.366565523e+00 -4.549298755e+00 2.40 -3.597747314e+00 -4.398155045e+00 -4.584090953e+00 2.42 -3.579765648e+00 -4.417750689e+00 -4.609360886e+00 2.44 -3.559769318e+00 -4.426560845e+00 -4.625707333e+00 2.46 -3.537911170e+00 -4.425773784e+00 -4.633687119e+00 2.48 -3.514335532e+00 -4.416511701e+00 -4.633819656e+00 2.50 -3.489178643e+00 -4.399804665e+00 -4.626590910e+00 2.52 -3.462569063e+00 -4.376579992e+00 -4.612457099e+00 2.54 -3.434628069e+00 -4.347662183e+00 -4.591848356e+00 2.56 -3.405470026e+00 -4.313779193e+00 -4.565172554e+00 2.58 -3.375202742e+00 -4.275571845e+00 -4.532819332e+00 2.60 -3.343927806e+00 -4.233604238e+00 -4.495164263e+00 2.62 -3.311740911e+00 -4.188373886e+00 -4.452572947e+00 2.64 -3.278732161e+00 -4.140320914e+00 -4.405404770e+00 2.66 -3.244986358e+00 -4.089836070e+00 -4.354016018e+00 2.68 -3.210583283e+00 -4.037267513e+00 -4.298762084e+00 2.70 -3.175597959e+00 -3.982926500e+00 -4.239998590e+00 2.72 -3.140100899e+00 -3.927092103e+00 -4.178081361e+00 2.74 -3.104158342e+00 -3.870015127e+00 -4.113365306e+00 2.76 -3.067832486e+00 -3.811921373e+00 -4.046202383e+00 2.78 -3.031181694e+00 -3.753014378e+00 -3.976938881e+00 2.80 -2.994260704e+00 -3.693477740e+00 -3.905912321e+00 2.82 -2.957120820e+00 -3.633477101e+00 -3.833448244e+00 2.84 -2.919810094e+00 -3.573161875e+00 -3.759857163e+00 2.86 -2.882373503e+00 -3.512666761e+00 -3.685431881e+00 2.88 -2.844853116e+00 -3.452113078e+00 -3.610445317e+00 2.90 -2.807288246e+00 -3.391609969e+00 -3.535148934e+00 2.92 -2.769715602e+00 -3.331255475e+00 -3.459771799e+00 2.94 -2.732169432e+00 -3.271137517e+00 -3.384520240e+00 2.96 -2.694681657e+00 -3.211334786e+00 -3.309578060e+00 2.98 -2.657281993e+00 -3.151917556e+00 -3.235107218e+00 3.00 -2.619998079e+00 -3.092948427e+00 -3.161248890e+00 3.02 -2.582855589e+00 -3.034483008e+00 -3.088124815e+00 3.04 -2.545878339e+00 -2.976570535e+00 -3.015838823e+00 3.06 -2.509088392e+00 -2.919254446e+00 -2.944478478e+00 3.08 -2.472506156e+00 -2.862572892e+00 -2.874116747e+00 3.10 -2.436150476e+00 -2.806559219e+00 -2.804813645e+00 3.12 -2.400038722e+00 -2.751242391e+00 -2.736617814e+00 3.14 -2.364186873e+00 -2.696647393e+00 -2.669567986e+00 3.16 -2.328609594e+00 -2.642795580e+00 -2.603694327e+00 3.18 -2.293320316e+00 -2.589705009e+00 -2.539019643e+00 3.20 -2.258331301e+00 -2.537390732e+00 -2.475560444e+00 3.22 -2.223653713e+00 -2.485865071e+00 -2.413327864e+00 3.24 -2.189297682e+00 -2.435137859e+00 -2.352328466e+00 3.26 -2.155272363e+00 -2.385216672e+00 -2.292564916e+00 3.28 -2.121585992e+00 -2.336107028e+00 -2.234036558e+00 3.30 -2.088245946e+00 -2.287812584e+00 -2.176739902e+00 3.32 -2.055258788e+00 -2.240335302e+00 -2.120669025e+00 3.34 -2.022630319e+00 -2.193675611e+00 -2.065815917e+00 3.36 -1.990365626e+00 -2.147832552e+00 -2.012170767e+00 3.38 -1.958469120e+00 -2.102803913e+00 -1.959722212e+00 3.40 -1.926944584e+00 -2.058586349e+00 -1.908457543e+00 3.42 -1.895795206e+00 -2.015175499e+00 -1.858362890e+00 3.44 -1.865023624e+00 -1.972566084e+00 -1.809423376e+00 3.46 -1.834631952e+00 -1.930752011e+00 -1.761623265e+00 3.48 -1.804621819e+00 -1.889726453e+00 -1.714946076e+00 3.50 -1.774994401e+00 -1.849481934e+00 -1.669374700e+00 3.52 -1.745750448e+00 -1.810010401e+00 -1.624891501e+00 3.54 -1.716890311e+00 -1.771303294e+00 -1.581478400e+00 3.56 -1.688413975e+00 -1.733351607e+00 -1.539116963e+00 3.58 -1.660321076e+00 -1.696145945e+00 -1.497788470e+00 3.60 -1.632610931e+00 -1.659676578e+00 -1.457473984e+00 3.62 -1.605282558e+00 -1.623933488e+00 -1.418154413e+00 3.64 -1.578334696e+00 -1.588906414e+00 -1.379810561e+00 3.66 -1.551765828e+00 -1.554584892e+00 -1.342423179e+00 3.68 -1.525574200e+00 -1.520958289e+00 -1.305973012e+00 3.70 -1.499757833e+00 -1.488015844e+00 -1.270440837e+00 3.72 -1.474314548e+00 -1.455746688e+00 -1.235807498e+00 3.74 -1.449241977e+00 -1.424139882e+00 -1.202053940e+00 3.76 -1.424537579e+00 -1.393184436e+00 -1.169161238e+00 3.78 -1.400198655e+00 -1.362869335e+00 -1.137110621e+00 3.80 -1.376222359e+00 -1.333183560e+00 -1.105883496e+00 3.82 -1.352605714e+00 -1.304116104e+00 -1.075461469e+00 3.84 -1.329345621e+00 -1.275655991e+00 -1.045826359e+00 3.86 -1.306438873e+00 -1.247792294e+00 -1.016960219e+00 3.88 -1.283882161e+00 -1.220514144e+00 -9.888453438e-01 3.90 -1.261672089e+00 -1.193810745e+00 -9.614642839e-01 3.92 -1.239805179e+00 -1.167671387e+00 -9.347998558e-01 3.94 -1.218277882e+00 -1.142085451e+00 -9.088351497e-01 3.96 -1.197086586e+00 -1.117042421e+00 -8.835535359e-01 3.98 -1.176227624e+00 -1.092531894e+00 -8.589386708e-01 4.00 -1.155697279e+00 -1.068543581e+00 -8.349745010e-01 4.02 -1.135491793e+00 -1.045067317e+00 -8.116452667e-01 4.04 -1.115607374e+00 -1.022093066e+00 -7.889355043e-01 4.06 -1.096040198e+00 -9.996109246e-01 -7.668300474e-01 4.08 -1.076786419e+00 -9.776111252e-01 -7.453140279e-01 4.10 -1.057842172e+00 -9.560840403e-01 -7.243728760e-01 4.12 -1.039203577e+00 -9.350201848e-01 -7.039923193e-01 4.14 -1.020866745e+00 -9.144102181e-01 -6.841583821e-01 4.16 -1.002827784e+00 -8.942449456e-01 -6.648573830e-01 4.18 -9.850827971e-01 -8.745153201e-01 -6.460759339e-01 4.20 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