# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2017--Kim-J-S-Seol-D-Ji-J-et-al--Pt-V # implementation = 2017--Kim-J-S--Pt-V--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 Pt Pt Pt V V V 0.02 1.089998060e+04 3.975765666e+03 1.510171658e+02 0.04 1.020280507e+04 3.749000240e+03 1.431919581e+02 0.06 9.548989198e+03 3.534588422e+03 1.357122008e+02 0.08 8.935899619e+03 3.331885099e+03 1.285658719e+02 0.10 8.361059656e+03 3.140277403e+03 1.217408519e+02 0.12 7.822140149e+03 2.959183171e+03 1.152250553e+02 0.14 7.316950828e+03 2.788049487e+03 1.090065288e+02 0.16 6.843432184e+03 2.626351281e+03 1.030735250e+02 0.18 6.399647800e+03 2.473589993e+03 9.741455667e+01 0.20 5.983777132e+03 2.329292302e+03 9.201843471e+01 0.22 5.594108705e+03 2.193008903e+03 8.687429462e+01 0.24 5.229033697e+03 2.064313347e+03 8.197161338e+01 0.26 4.887039904e+03 1.942800933e+03 7.730021912e+01 0.28 4.566706042e+03 1.828087648e+03 7.285029528e+01 0.30 4.266696392e+03 1.719809160e+03 6.861238052e+01 0.32 3.985755742e+03 1.617619850e+03 6.457736553e+01 0.34 3.722704633e+03 1.521191899e+03 6.073648742e+01 0.36 3.476434880e+03 1.430214407e+03 5.708132244e+01 0.38 3.245905344e+03 1.344392562e+03 5.360377751e+01 0.40 3.030137963e+03 1.263446843e+03 5.029608087e+01 0.42 2.828214007e+03 1.187112261e+03 4.715077224e+01 0.44 2.639270549e+03 1.115137635e+03 4.416069266e+01 0.46 2.462497150e+03 1.047284906e+03 4.131897420e+01 0.48 2.297132731e+03 9.833284789e+02 3.861902966e+01 0.50 2.142462629e+03 9.230545978e+02 3.605454237e+01 0.52 1.997815829e+03 8.662607520e+02 3.361945613e+01 0.54 1.862562353e+03 8.127551087e+02 3.130796540e+01 0.56 1.736110806e+03 7.623559738e+02 2.911450571e+01 0.58 1.617906065e+03 7.148912783e+02 2.703374434e+01 0.60 1.507427102e+03 6.701980899e+02 2.506057128e+01 0.62 1.404184940e+03 6.281221479e+02 2.319009056e+01 0.64 1.307720721e+03 5.885174207e+02 2.141761172e+01 0.66 1.217603896e+03 5.512456852e+02 1.973864177e+01 0.68 1.133430521e+03 5.161761262e+02 1.814887724e+01 0.70 1.054821647e+03 4.831849559e+02 1.664419674e+01 0.72 9.814218104e+02 4.521550518e+02 1.522065357e+01 0.74 9.128976149e+02 4.229756125e+02 1.387446880e+01 0.76 8.489363919e+02 3.955418305e+02 1.260202447e+01 0.78 7.892449440e+02 3.697545815e+02 1.139985717e+01 0.80 7.335483618e+02 3.455201280e+02 1.026465174e+01 0.82 6.815889119e+02 3.227498397e+02 9.193235343e+00 0.84 6.331249904e+02 3.013599254e+02 8.182571645e+00 0.86 5.879301389e+02 2.812711804e+02 7.229755315e+00 0.88 5.457921196e+02 2.624087453e+02 6.332006686e+00 0.90 5.065120452e+02 2.447018775e+02 5.486666635e+00 0.92 4.699035612e+02 2.280837339e+02 4.691191672e+00 0.94 4.357920769e+02 2.124911648e+02 3.943149206e+00 0.96 4.040140425e+02 1.978645184e+02 3.240213007e+00 0.98 3.744162702e+02 1.841474545e+02 2.580158840e+00 1.00 3.468552949e+02 1.712867688e+02 1.960860274e+00 1.02 3.211967747e+02 1.592322250e+02 1.380284647e+00 1.04 2.973149267e+02 1.479363964e+02 8.364892003e-01 1.06 2.750919970e+02 1.373545151e+02 3.276173598e-01 1.08 2.544177629e+02 1.274443293e+02 -1.481048374e-01 1.10 2.351890651e+02 1.181659675e+02 -5.923721716e-01 1.12 2.173093680e+02 1.094818102e+02 -1.006803535e+00 1.14 2.006883472e+02 1.013563681e+02 -1.392945096e+00 1.16 1.852415017e+02 9.375616621e+01 -1.752273334e+00 1.18 1.708897895e+02 8.664963464e+01 -2.086197956e+00 1.20 1.575592860e+02 8.000700466e+01 -2.396064697e+00 1.22 1.451808627e+02 7.380021029e+01 -2.683158005e+00 1.24 1.336898855e+02 6.800279508e+01 -2.948703621e+00 1.26 1.230259323e+02 6.258982377e+01 -3.193871049e+00 1.28 1.131325264e+02 5.753779855e+01 -3.419775933e+00 1.30 1.039568879e+02 5.282457980e+01 -3.627482331e+00 1.32 9.544969918e+01 4.842931098e+01 -3.818004899e+00 1.34 8.756488527e+01 4.433234755e+01 -3.992310986e+00 1.36 8.025940793e+01 4.051518957e+01 -4.151322639e+00 1.38 7.349307208e+01 3.696041798e+01 -4.295918524e+00 1.40 6.722834443e+01 3.365163424e+01 -4.426935773e+00 1.42 6.143018331e+01 3.057340320e+01 -4.545171746e+00 1.44 5.606587902e+01 2.771119902e+01 -4.651385721e+00 1.46 5.110490417e+01 2.505135404e+01 -4.746300511e+00 1.48 4.651877328e+01 2.258101034e+01 -4.830604013e+00 1.50 4.228091120e+01 2.028807398e+01 -4.904950685e+00 1.52 3.836652974e+01 1.816117166e+01 -4.969962960e+00 1.54 3.475251203e+01 1.618960977e+01 -5.026232601e+00 1.56 3.141730417e+01 1.436333567e+01 -5.074321983e+00 1.58 2.834081365e+01 1.267290104e+01 -5.114765326e+00 1.60 2.550431425e+01 1.110942728e+01 -5.148069867e+00 1.62 2.289035693e+01 9.664572792e+00 -5.174716973e+00 1.64 2.048268634e+01 8.330502067e+00 -5.195163202e+00 1.66 1.826616274e+01 7.099856456e+00 -5.209841310e+00 1.68 1.622668881e+01 5.965726594e+00 -5.219161203e+00 1.70 1.435114119e+01 4.921626328e+00 -5.223510845e+00 1.72 1.262730647e+01 3.961468119e+00 -5.223257110e+00 1.74 1.104382122e+01 3.079539805e+00 -5.218746588e+00 1.76 9.590116043e+00 2.270482680e+00 -5.210306343e+00 1.78 8.256363135e+00 1.529270807e+00 -5.198244624e+00 1.80 7.033427402e+00 8.511915072e-01 -5.182851536e+00 1.82 5.912820742e+00 2.318269561e-01 -5.164399660e+00 1.84 4.886659381e+00 -3.329631587e-01 -5.143144633e+00 1.86 3.947624057e+00 -8.470579826e-01 -5.119325690e+00 1.88 3.088922880e+00 -1.314090888e+00 -5.093166163e+00 1.90 2.304256710e+00 -1.737463968e+00 -5.064873944e+00 1.92 1.587786894e+00 -2.120361673e+00 -5.034641911e+00 1.94 9.341052059e-01 -2.465763636e+00 -5.002648330e+00 1.96 3.382058601e-01 -2.776456727e+00 -4.969057214e+00 1.98 -2.045405506e-01 -3.055046368e+00 -4.934018676e+00 2.00 -6.984113290e-01 -3.303967160e+00 -4.897669246e+00 2.02 -1.147354289e+00 -3.525492838e+00 -4.860132191e+00 2.04 -1.555008855e+00 -3.721745602e+00 -4.821517815e+00 2.06 -1.924725771e+00 -3.894704847e+00 -4.781923772e+00 2.08 -2.259585564e+00 -4.046215325e+00 -4.741435393e+00 2.10 -2.562415904e+00 -4.177994768e+00 -4.700126028e+00 2.12 -2.835807984e+00 -4.291641007e+00 -4.658057432e+00 2.14 -3.082132078e+00 -4.388638612e+00 -4.615280201e+00 2.16 -3.303552404e+00 -4.470365078e+00 -4.571834266e+00 2.18 -3.502041417e+00 -4.538096613e+00 -4.527749470e+00 2.20 -3.679393654e+00 -4.593013535e+00 -4.483046238e+00 2.22 -3.837239227e+00 -4.636205343e+00 -4.437736346e+00 2.24 -3.977057020e+00 -4.668675478e+00 -4.391823810e+00 2.26 -4.100187630e+00 -4.691345854e+00 -4.345305894e+00 2.28 -4.207846038e+00 -4.705061177e+00 -4.298174245e+00 2.30 -4.301133945e+00 -4.710593141e+00 -4.250416143e+00 2.32 -4.381051675e+00 -4.708644533e+00 -4.202015868e+00 2.34 -4.448509496e+00 -4.699853344e+00 -4.152956150e+00 2.36 -4.504338197e+00 -4.684796924e+00 -4.103219689e+00 2.38 -4.549298753e+00 -4.663996264e+00 -4.052790696e+00 2.40 -4.584090952e+00 -4.637920459e+00 -4.001656420e+00 2.42 -4.609360885e+00 -4.606991400e+00 -3.949808614e+00 2.44 -4.625707332e+00 -4.571588723e+00 -3.897244876e+00 2.46 -4.633687118e+00 -4.532055005e+00 -3.843969823e+00 2.48 -4.633819655e+00 -4.488701196e+00 -3.789996035e+00 2.50 -4.626590910e+00 -4.441812173e+00 -3.735344738e+00 2.52 -4.612457099e+00 -4.391652311e+00 -3.680046185e+00 2.54 -4.591848356e+00 -4.338470894e+00 -3.624139710e+00 2.56 -4.565172553e+00 -4.282507134e+00 -3.567673460e+00 2.58 -4.532819332e+00 -4.223994589e+00 -3.510703809e+00 2.60 -4.495164263e+00 -4.163164720e+00 -3.453294491e+00 2.62 -4.452572947e+00 -4.100249420e+00 -3.395515480e+00 2.64 -4.405404770e+00 -4.035482357e+00 -3.337441697e+00 2.66 -4.354016018e+00 -3.969099117e+00 -3.279151577e+00 2.68 -4.298762084e+00 -3.901336203e+00 -3.220725599e+00 2.70 -4.239998590e+00 -3.832429067e+00 -3.162244811e+00 2.72 -4.178081361e+00 -3.762609443e+00 -3.103789448e+00 2.74 -4.113365306e+00 -3.692102829e+00 -3.045437664e+00 2.76 -4.046202383e+00 -3.621149417e+00 -2.987264448e+00 2.78 -3.976938881e+00 -3.550005851e+00 -2.929340738e+00 2.80 -3.905912321e+00 -3.478906284e+00 -2.871732753e+00 2.82 -3.833448244e+00 -3.408058938e+00 -2.814501540e+00 2.84 -3.759857163e+00 -3.337646255e+00 -2.757702738e+00 2.86 -3.685431881e+00 -3.267825706e+00 -2.701386521e+00 2.88 -3.610445316e+00 -3.198731172e+00 -2.645597709e+00 2.90 -3.535148934e+00 -3.130474792e+00 -2.590375994e+00 2.92 -3.459771799e+00 -3.063149098e+00 -2.535756267e+00 2.94 -3.384520240e+00 -2.996829301e+00 -2.481769004e+00 2.96 -3.309578060e+00 -2.931575569e+00 -2.428440671e+00 2.98 -3.235107218e+00 -2.867435185e+00 -2.375794139e+00 3.00 -3.161248890e+00 -2.804444505e+00 -2.323849079e+00 3.02 -3.088124815e+00 -2.742630674e+00 -2.272622327e+00 3.04 -3.015838823e+00 -2.682013084e+00 -2.222128209e+00 3.06 -2.944478478e+00 -2.622604584e+00 -2.172378821e+00 3.08 -2.874116747e+00 -2.564412475e+00 -2.123384274e+00 3.10 -2.804813645e+00 -2.507439328e+00 -2.075152896e+00 3.12 -2.736617814e+00 -2.451683646e+00 -2.027691406e+00 3.14 -2.669567985e+00 -2.397140421e+00 -1.981005051e+00 3.16 -2.603694327e+00 -2.343801599e+00 -1.935097735e+00 3.18 -2.539019643e+00 -2.291656486e+00 -1.889972123e+00 3.20 -2.475560444e+00 -2.240692088e+00 -1.845629732e+00 3.22 -2.413327864e+00 -2.190893431e+00 -1.802071014e+00 3.24 -2.352328466e+00 -2.142243826e+00 -1.759295435e+00 3.26 -2.292564916e+00 -2.094725125e+00 -1.717301541e+00 3.28 -2.234036558e+00 -2.048317942e+00 -1.676087028e+00 3.30 -2.176739902e+00 -2.003001857e+00 -1.635648799e+00 3.32 -2.120669025e+00 -1.958755601e+00 -1.595983026e+00 3.34 -2.065815917e+00 -1.915557228e+00 -1.557085201e+00 3.36 -2.012170767e+00 -1.873384266e+00 -1.518950192e+00 3.38 -1.959722212e+00 -1.832213860e+00 -1.481572287e+00 3.40 -1.908457543e+00 -1.792022901e+00 -1.444945245e+00 3.42 -1.858362890e+00 -1.752788139e+00 -1.409062338e+00 3.44 -1.809423376e+00 -1.714486294e+00 -1.373916392e+00 3.46 -1.761623265e+00 -1.677094143e+00 -1.339499827e+00 3.48 -1.714946076e+00 -1.640588612e+00 -1.305804691e+00 3.50 -1.669374700e+00 -1.604946844e+00 -1.272822701e+00 3.52 -1.624891501e+00 -1.570146267e+00 -1.240545271e+00 3.54 -1.581478400e+00 -1.536164650e+00 -1.208963543e+00 3.56 -1.539116963e+00 -1.502980148e+00 -1.178068419e+00 3.58 -1.497788470e+00 -1.470571346e+00 -1.147850588e+00 3.60 -1.457473984e+00 -1.438917288e+00 -1.118300548e+00 3.62 -1.418154413e+00 -1.407997507e+00 -1.089408638e+00 3.64 -1.379810561e+00 -1.377792040e+00 -1.061165052e+00 3.66 -1.342423179e+00 -1.348281448e+00 -1.033559868e+00 3.68 -1.305973012e+00 -1.319446826e+00 -1.006583063e+00 3.70 -1.270440837e+00 -1.291269805e+00 -9.802245360e-01 3.72 -1.235807498e+00 -1.263732561e+00 -9.544741220e-01 3.74 -1.202053940e+00 -1.236817808e+00 -9.293216117e-01 3.76 -1.169161238e+00 -1.210508801e+00 -9.047567651e-01 3.78 -1.137110621e+00 -1.184789326e+00 -8.807693269e-01 3.80 -1.105883496e+00 -1.159643698e+00 -8.573490398e-01 3.82 -1.075461469e+00 -1.135056746e+00 -8.344856570e-01 3.84 -1.045826359e+00 -1.111013807e+00 -8.121689541e-01 3.86 -1.016960219e+00 -1.087500714e+00 -7.903887400e-01 3.88 -9.888453438e-01 -1.064503785e+00 -7.691348668e-01 3.90 -9.614642839e-01 -1.042009805e+00 -7.483972396e-01 3.92 -9.347998558e-01 -1.020006020e+00 -7.281658246e-01 3.94 -9.088351497e-01 -9.984801156e-01 -7.084306579e-01 3.96 -8.835535359e-01 -9.774202088e-01 -6.891818521e-01 3.98 -8.589386708e-01 -9.568148294e-01 -6.704096034e-01 4.00 -8.349745010e-01 -9.366529069e-01 -6.521041979e-01 4.02 -8.116452667e-01 -9.169237557e-01 -6.342560173e-01 4.04 -7.889355043e-01 -8.976170600e-01 -6.168555438e-01 4.06 -7.668300474e-01 -8.787228595e-01 -5.998933651e-01 4.08 -7.453140279e-01 -8.602315345e-01 -5.833601785e-01 4.10 -7.243728760e-01 -8.421337920e-01 -5.672467947e-01 4.12 -7.039923193e-01 -8.244206512e-01 -5.515441413e-01 4.14 -6.841583821e-01 -8.070834298e-01 -5.362432661e-01 4.16 -6.648573830e-01 -7.901137303e-01 -5.213353391e-01 4.18 -6.460759339e-01 -7.735034268e-01 -5.068116558e-01 4.20 -6.278009362e-01 -7.572446520e-01 -4.926636383e-01 4.22 -6.100195790e-01 -7.413297841e-01 -4.788828379e-01 4.24 -5.927193354e-01 -7.257514352e-01 -4.654609360e-01 4.26 -5.758879591e-01 -7.105024386e-01 -4.523897456e-01 4.28 -5.595134809e-01 -6.955758375e-01 -4.396612120e-01 4.30 -5.435842049e-01 -6.809648736e-01 -4.272674142e-01 4.32 -5.280887040e-01 -6.666629759e-01 -4.152005645e-01 4.34 -5.130158164e-01 -6.526637504e-01 -4.034530096e-01 4.36 -4.983546408e-01 -6.389609695e-01 -3.920172304e-01 4.38 -4.840945322e-01 -6.255485620e-01 -3.808858421e-01 4.40 -4.702250972e-01 -6.124206034e-01 -3.700515939e-01 4.42 -4.555706684e-01 -5.978870299e-01 -3.585407480e-01 4.44 -4.255852775e-01 -5.607907289e-01 -3.343147627e-01 4.46 -3.445119579e-01 -4.496584147e-01 -2.682318375e-01 4.48 -1.763637821e-01 -2.201841847e-01 -1.337550912e-01 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 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