# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-Co # implementation = 2017--Kim-J-S--Pt-Co--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 Co Co Co Pt Pt Pt 0.02 4.395216790e+02 -1.468522940e+03 1.089998060e+04 0.04 4.168436775e+02 -1.342308769e+03 1.020280507e+04 0.06 3.952557501e+02 -1.225899653e+03 9.548989198e+03 0.08 3.747081264e+02 -1.118587792e+03 8.935899619e+03 0.10 3.551532121e+02 -1.019713794e+03 8.361059656e+03 0.12 3.365454973e+02 -9.286634933e+02 7.822140149e+03 0.14 3.188414693e+02 -8.448649770e+02 7.316950828e+03 0.16 3.019995279e+02 -7.677858018e+02 6.843432184e+03 0.18 2.859799050e+02 -6.969303845e+02 6.399647800e+03 0.20 2.707445869e+02 -6.318375615e+02 5.983777132e+03 0.22 2.562572401e+02 -5.720783036e+02 5.594108705e+03 0.24 2.424831398e+02 -5.172535772e+02 5.229033697e+03 0.26 2.293891018e+02 -4.669923435e+02 4.887039904e+03 0.28 2.169434166e+02 -4.209496855e+02 4.566706042e+03 0.30 2.051157867e+02 -3.788050563e+02 4.266696392e+03 0.32 1.938772659e+02 -3.402606405e+02 3.985755742e+03 0.34 1.832002019e+02 -3.050398217e+02 3.722704633e+03 0.36 1.730581807e+02 -2.728857490e+02 3.476434880e+03 0.38 1.634259730e+02 -2.435599973e+02 3.245905344e+03 0.40 1.542794837e+02 -2.168413142e+02 3.030137963e+03 0.42 1.455957028e+02 -1.925244494e+02 2.828214007e+03 0.44 1.373526585e+02 -1.704190599e+02 2.639270549e+03 0.46 1.295293721e+02 -1.503486878e+02 2.462497150e+03 0.48 1.221058154e+02 -1.321498047e+02 2.297132731e+03 0.50 1.150628691e+02 -1.156709190e+02 2.142462629e+03 0.52 1.083822831e+02 -1.007717429e+02 1.997815829e+03 0.54 1.020466391e+02 -8.732241352e+01 1.862562353e+03 0.56 9.603931373e+01 -7.520276634e+01 1.736110806e+03 0.58 9.034444419e+01 -6.430165689e+01 1.617906065e+03 0.60 8.494689466e+01 -5.451632750e+01 1.507427102e+03 0.62 7.983222447e+01 -4.575181650e+01 1.404184940e+03 0.64 7.498665749e+01 -3.792040697e+01 1.307720721e+03 0.66 7.039705284e+01 -3.094111259e+01 1.217603896e+03 0.68 6.605087681e+01 -2.473919809e+01 1.133430521e+03 0.70 6.193617603e+01 -1.924573219e+01 1.054821647e+03 0.72 5.804155170e+01 -1.439717069e+01 9.814218104e+02 0.74 5.435613496e+01 -1.013496807e+01 9.128976149e+02 0.76 5.086956333e+01 -6.405215458e+00 8.489363919e+02 0.78 4.757195807e+01 -3.158303362e+00 7.892449440e+02 0.80 4.445390263e+01 -3.486075743e-01 7.335483618e+02 0.82 4.150642192e+01 2.065803343e+00 6.815889119e+02 0.84 3.872096249e+01 4.123440381e+00 6.331249904e+02 0.86 3.608937360e+01 5.859647542e+00 5.879301389e+02 0.88 3.360388909e+01 7.306837692e+00 5.457921196e+02 0.90 3.125710999e+01 8.494711967e+00 5.065120452e+02 0.92 2.904198795e+01 9.450463839e+00 4.699035612e+02 0.94 2.695180932e+01 1.019896884e+01 4.357920769e+02 0.96 2.498017999e+01 1.076296092e+01 4.040140425e+02 0.98 2.312101080e+01 1.116319635e+01 3.744162702e+02 1.00 2.136850371e+01 1.141860596e+01 3.468552949e+02 1.02 1.971713842e+01 1.154643655e+01 3.211967747e+02 1.04 1.816165972e+01 1.156238214e+01 2.973149267e+02 1.06 1.669706532e+01 1.148070585e+01 2.750919970e+02 1.08 1.531859421e+01 1.131435293e+01 2.544177629e+02 1.10 1.402171556e+01 1.107505562e+01 2.351890651e+02 1.12 1.280211811e+01 1.077343037e+01 2.173093680e+02 1.14 1.165570002e+01 1.041906796e+01 2.006883472e+02 1.16 1.057855917e+01 1.002061698e+01 1.852415017e+02 1.18 9.566983907e+00 9.585861169e+00 1.708897895e+02 1.20 8.617444190e+00 9.121790982e+00 1.575592860e+02 1.22 7.726583149e+00 8.634669851e+00 1.451808627e+02 1.24 6.891209013e+00 8.130095461e+00 1.336898855e+02 1.26 6.108287415e+00 7.613056411e+00 1.230259323e+02 1.28 5.374934036e+00 7.087984580e+00 1.131325264e+02 1.30 4.688407601e+00 6.558803493e+00 1.039568879e+02 1.32 4.046103192e+00 6.028972992e+00 9.544969918e+01 1.34 3.445545867e+00 5.501530440e+00 8.756488527e+01 1.36 2.884384591e+00 4.979128742e+00 8.025940793e+01 1.38 2.360386444e+00 4.464071385e+00 7.349307208e+01 1.40 1.871431114e+00 3.958344717e+00 6.722834443e+01 1.42 1.415505649e+00 3.463647674e+00 6.143018331e+01 1.44 9.906994766e-01 2.981419132e+00 5.606587902e+01 1.46 5.951996607e-01 2.512863051e+00 5.110490417e+01 1.48 2.272864059e-01 2.058971590e+00 4.651877328e+01 1.50 -1.146712114e-01 1.620546322e+00 4.228091120e+01 1.52 -4.322192870e-01 1.198217710e+00 3.836652974e+01 1.54 -7.268229181e-01 7.924629510e-01 3.475251203e+01 1.56 -9.998698236e-01 4.036223325e-01 3.141730417e+01 1.58 -1.252673764e+00 3.191419385e-02 2.834081365e+01 1.60 -1.486477767e+00 -3.225513894e-01 2.550431425e+01 1.62 -1.702457169e+00 -6.597601063e-01 2.289035693e+01 1.64 -1.901722473e+00 -9.797820061e-01 2.048268634e+01 1.66 -2.085322041e+00 -1.282761102e+00 1.826616274e+01 1.68 -2.254244625e+00 -1.568905906e+00 1.622668881e+01 1.70 -2.409421740e+00 -1.838480827e+00 1.435114119e+01 1.72 -2.551729900e+00 -2.091798349e+00 1.262730647e+01 1.74 -2.681992725e+00 -2.329211955e+00 1.104382122e+01 1.76 -2.800982927e+00 -2.551109701e+00 9.590116043e+00 1.78 -2.909424193e+00 -2.757908426e+00 8.256363135e+00 1.80 -3.007992986e+00 -2.950048510e+00 7.033427402e+00 1.82 -3.097320269e+00 -3.127989170e+00 5.912820742e+00 1.84 -3.177993176e+00 -3.292204217e+00 4.886659381e+00 1.86 -3.250556651e+00 -3.443178256e+00 3.947624057e+00 1.88 -3.315515064e+00 -3.581403293e+00 3.088922880e+00 1.90 -3.373333835e+00 -3.707375695e+00 2.304256710e+00 1.92 -3.424441071e+00 -3.821593491e+00 1.587786894e+00 1.94 -3.469229240e+00 -3.924553981e+00 9.341052059e-01 1.96 -3.508056897e+00 -4.016751613e+00 3.382058601e-01 1.98 -3.541250489e+00 -4.098676123e+00 -2.045405506e-01 2.00 -3.569106236e+00 -4.170810898e+00 -6.984113290e-01 2.02 -3.591892140e+00 -4.233631553e+00 -1.147354289e+00 2.04 -3.609850124e+00 -4.287604690e+00 -1.555008855e+00 2.06 -3.623198337e+00 -4.333186838e+00 -1.924725771e+00 2.08 -3.632133665e+00 -4.370823536e+00 -2.259585564e+00 2.10 -3.636834471e+00 -4.400948571e+00 -2.562415904e+00 2.12 -3.637463570e+00 -4.423983328e+00 -2.835807984e+00 2.14 -3.634171473e+00 -4.440336267e+00 -3.082132078e+00 2.16 -3.627099829e+00 -4.450402493e+00 -3.303552404e+00 2.18 -3.616385035e+00 -4.454563429e+00 -3.502041417e+00 2.20 -3.602161869e+00 -4.453186567e+00 -3.679393654e+00 2.22 -3.584566997e+00 -4.446625304e+00 -3.837239227e+00 2.24 -3.563742165e+00 -4.435218839e+00 -3.977057020e+00 2.26 -3.539836844e+00 -4.419292149e+00 -4.100187630e+00 2.28 -3.513010150e+00 -4.399156016e+00 -4.207846038e+00 2.30 -3.483431849e+00 -4.375107113e+00 -4.301133945e+00 2.32 -3.451282389e+00 -4.347428150e+00 -4.381051675e+00 2.34 -3.416751919e+00 -4.316388066e+00 -4.448509496e+00 2.36 -3.380038403e+00 -4.282242274e+00 -4.504338197e+00 2.38 -3.341344992e+00 -4.245232959e+00 -4.549298753e+00 2.40 -3.300876893e+00 -4.205589414e+00 -4.584090952e+00 2.42 -3.258838000e+00 -4.163528435e+00 -4.609360885e+00 2.44 -3.215427577e+00 -4.119254754e+00 -4.625707332e+00 2.46 -3.170837224e+00 -4.072961518e+00 -4.633687118e+00 2.48 -3.125248329e+00 -4.024830810e+00 -4.633819655e+00 2.50 -3.078830142e+00 -3.975034206e+00 -4.626590910e+00 2.52 -3.031738519e+00 -3.923733370e+00 -4.612457099e+00 2.54 -2.984115342e+00 -3.871080670e+00 -4.591848356e+00 2.56 -2.936088536e+00 -3.817219821e+00 -4.565172553e+00 2.58 -2.887772591e+00 -3.762286529e+00 -4.532819332e+00 2.60 -2.839269455e+00 -3.706409144e+00 -4.495164263e+00 2.62 -2.790669669e+00 -3.649709293e+00 -4.452572947e+00 2.64 -2.742053617e+00 -3.592302496e+00 -4.405404770e+00 2.66 -2.693492779e+00 -3.534298731e+00 -4.354016018e+00 2.68 -2.645050923e+00 -3.475802961e+00 -4.298762084e+00 2.70 -2.596785168e+00 -3.416915586e+00 -4.239998590e+00 2.72 -2.548746897e+00 -3.357732832e+00 -4.178081361e+00 2.74 -2.500982514e+00 -3.298347050e+00 -4.113365306e+00 2.76 -2.453534062e+00 -3.238846941e+00 -4.046202383e+00 2.78 -2.406439709e+00 -3.179317692e+00 -3.976938881e+00 2.80 -2.359734137e+00 -3.119841038e+00 -3.905912321e+00 2.82 -2.313448849e+00 -3.060495258e+00 -3.833448244e+00 2.84 -2.267612429e+00 -3.001355109e+00 -3.759857163e+00 2.86 -2.222250748e+00 -2.942491731e+00 -3.685431881e+00 2.88 -2.177387151e+00 -2.883972529e+00 -3.610445316e+00 2.90 -2.133042623e+00 -2.825861050e+00 -3.535148934e+00 2.92 -2.089235937e+00 -2.768216884e+00 -3.459771799e+00 2.94 -2.045983795e+00 -2.711095589e+00 -3.384520240e+00 2.96 -2.003300960e+00 -2.654548672e+00 -3.309578060e+00 2.98 -1.961200376e+00 -2.598623610e+00 -3.235107218e+00 3.00 -1.919693289e+00 -2.543363937e+00 -3.161248890e+00 3.02 -1.878789351e+00 -2.488809383e+00 -3.088124815e+00 3.04 -1.838496730e+00 -2.434996059e+00 -3.015838823e+00 3.06 -1.798822205e+00 -2.381956688e+00 -2.944478478e+00 3.08 -1.759771257e+00 -2.329720861e+00 -2.874116747e+00 3.10 -1.721348162e+00 -2.278315313e+00 -2.804813645e+00 3.12 -1.683556071e+00 -2.227764205e+00 -2.736617814e+00 3.14 -1.646397086e+00 -2.178089404e+00 -2.669567985e+00 3.16 -1.609872340e+00 -2.129310748e+00 -2.603694327e+00 3.18 -1.573982062e+00 -2.081446299e+00 -2.539019643e+00 3.20 -1.538725643e+00 -2.034512573e+00 -2.475560444e+00 3.22 -1.504101701e+00 -1.988524750e+00 -2.413327864e+00 3.24 -1.470108140e+00 -1.943496870e+00 -2.352328466e+00 3.26 -1.436742199e+00 -1.899442004e+00 -2.292564916e+00 3.28 -1.404000513e+00 -1.856372416e+00 -2.234036558e+00 3.30 -1.371879156e+00 -1.814299712e+00 -2.176739902e+00 3.32 -1.340373687e+00 -1.773234976e+00 -2.120669025e+00 3.34 -1.309479199e+00 -1.733188897e+00 -2.065815917e+00 3.36 -1.279190354e+00 -1.694171890e+00 -2.012170767e+00 3.38 -1.249501424e+00 -1.656194198e+00 -1.959722212e+00 3.40 -1.220406328e+00 -1.619265990e+00 -1.908457543e+00 3.42 -1.191898664e+00 -1.583397439e+00 -1.858362890e+00 3.44 -1.163971742e+00 -1.548598785e+00 -1.809423376e+00 3.46 -1.136618613e+00 -1.514880364e+00 -1.761623265e+00 3.48 -1.109832099e+00 -1.482252618e+00 -1.714946076e+00 3.50 -1.083604818e+00 -1.450726056e+00 -1.669374700e+00 3.52 -1.057929209e+00 -1.420311173e+00 -1.624891501e+00 3.54 -1.032797553e+00 -1.391018307e+00 -1.581478400e+00 3.56 -1.008201998e+00 -1.362857418e+00 -1.539116963e+00 3.58 -9.841345783e-01 -1.335837780e+00 -1.497788470e+00 3.60 -9.605872300e-01 -1.309967567e+00 -1.457473984e+00 3.62 -9.375518132e-01 -1.285253309e+00 -1.418154413e+00 3.64 -9.150201256e-01 -1.261699201e+00 -1.379810561e+00 3.66 -8.929839187e-01 -1.239306249e+00 -1.342423179e+00 3.68 -8.714349115e-01 -1.218071231e+00 -1.305973012e+00 3.70 -8.503648040e-01 -1.197985465e+00 -1.270440837e+00 3.72 -8.297652894e-01 -1.179033396e+00 -1.235807498e+00 3.74 -8.096280655e-01 -1.161190998e+00 -1.202053940e+00 3.76 -7.899448447e-01 -1.144424053e+00 -1.169161238e+00 3.78 -7.707073647e-01 -1.128686365e+00 -1.137110621e+00 3.80 -7.519073963e-01 -1.113918014e+00 -1.105883496e+00 3.82 -7.335367526e-01 -1.100043807e+00 -1.075461469e+00 3.84 -7.155872960e-01 -1.086972100e+00 -1.045826359e+00 3.86 -6.980509455e-01 -1.074594229e+00 -1.016960219e+00 3.88 -6.809196828e-01 -1.062784774e+00 -9.888453438e-01 3.90 -6.641855583e-01 -1.051402906e+00 -9.614642839e-01 3.92 -6.478406965e-01 -1.040294997e+00 -9.347998558e-01 3.94 -6.318773005e-01 -1.029298599e+00 -9.088351497e-01 3.96 -6.162876565e-01 -1.018247762e+00 -8.835535359e-01 3.98 -6.010641378e-01 -1.006979478e+00 -8.589386708e-01 4.00 -5.861992083e-01 -9.953408826e-01 -8.349745010e-01 4.02 -5.716854256e-01 -9.831966451e-01 -8.116452667e-01 4.04 -5.575154436e-01 -9.704358821e-01 -7.889355043e-01 4.06 -5.436820152e-01 -9.569778907e-01 -7.668300474e-01 4.08 -5.301779945e-01 -9.427760693e-01 -7.453140279e-01 4.10 -5.169963384e-01 -9.278195677e-01 -7.243728760e-01 4.12 -5.041301081e-01 -9.121324585e-01 -7.039923193e-01 4.14 -4.915724708e-01 -8.957705135e-01 -6.841583821e-01 4.16 -4.793167005e-01 -8.788159415e-01 -6.648573830e-01 4.18 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